NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
468180 |
1a1p   |
cing | 4-filtered-FRED | STAR | entry | full | 90 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1a1p
# This FRED archive file contains, for PDB entry <1a1p>:
#
# - 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.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_1a1p
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1a1p
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 1551.77
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 $COMPSTATIN A . 1 1
stop_
save_
save_COMPSTATIN
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name COMPSTATIN
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code ICVVQDWGHHRCTX
_Entity.Number_of_monomers 14
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 ILE . 1 1
2 CYS . 1 1
3 VAL . 1 1
4 VAL . 1 1
5 GLN . 1 1
6 ASP . 1 1
7 TRP . 1 1
8 GLY . 1 1
9 HIS . 1 1
10 HIS . 1 1
11 ARG . 1 1
12 CYS . 1 1
13 THR . 1 1
14 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
ILE 1 1 1 1
CYS 2 2 1 1
VAL 3 3 1 1
VAL 4 4 1 1
GLN 5 5 1 1
ASP 6 6 1 1
TRP 7 7 1 1
GLY 8 8 1 1
HIS 9 9 1 1
HIS 10 10 1 1
ARG 11 11 1 1
CYS 12 12 1 1
THR 13 13 1 1
NH2 14 14 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
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 ILE HA . 1 . HA 1 1
1 1 2 1 1 2 CYS H . 2 . HN 1 1
2 1 1 1 1 1 ILE HB . 1 . HB 1 1
2 1 2 1 1 2 CYS H . 2 . HN 1 1
3 1 1 1 1 3 VAL H . 3 . HN 1 1
3 1 2 1 1 4 VAL H . 4 . HN 1 1
4 1 1 1 1 2 CYS QB . 2 . HB# 1 1
4 1 2 1 1 3 VAL H . 3 . HN 1 1
5 1 1 1 1 2 CYS HA . 2 . HA 1 1
5 1 2 1 1 3 VAL H . 3 . HN 1 1
6 1 1 1 1 3 VAL H . 3 . HN 1 1
6 1 2 1 1 3 VAL QG . 3 . HG** 1 1
7 1 1 1 1 3 VAL H . 3 . HN 1 1
7 1 2 1 1 3 VAL HB . 3 . HB 1 1
8 1 1 1 1 11 ARG H . 11 . HN 1 1
8 1 2 1 1 12 CYS H . 12 . HN 1 1
9 1 1 1 1 11 ARG QB . 11 . HB# 1 1
9 1 2 1 1 12 CYS H . 12 . HN 1 1
10 1 1 1 1 11 ARG QG . 11 . HG# 1 1
10 1 2 1 1 12 CYS H . 12 . HN 1 1
11 1 1 1 1 12 CYS H . 12 . HN 1 1
11 1 2 1 1 12 CYS HB2 . 12 . HB2 1 1
12 1 1 1 1 12 CYS H . 12 . HN 1 1
12 1 2 1 1 12 CYS HB3 . 12 . HB1 1 1
13 1 1 1 1 11 ARG HA . 11 . HA 1 1
13 1 2 1 1 12 CYS H . 12 . HN 1 1
14 1 1 1 1 10 HIS H . 10 . HN 1 1
14 1 2 1 1 10 HIS QB . 10 . HB# 1 1
15 1 1 1 1 10 HIS HA . 10 . HA 1 1
15 1 2 1 1 11 ARG H . 11 . HN 1 1
16 1 1 1 1 10 HIS QB . 10 . HB# 1 1
16 1 2 1 1 11 ARG H . 11 . HN 1 1
17 1 1 1 1 11 ARG H . 11 . HN 1 1
17 1 2 1 1 11 ARG QB . 11 . HB# 1 1
18 1 1 1 1 11 ARG H . 11 . HN 1 1
18 1 2 1 1 11 ARG QG . 11 . HG# 1 1
19 1 1 1 1 7 TRP QB . 7 . HB# 1 1
19 1 2 1 1 8 GLY H . 8 . HN 1 1
20 1 1 1 1 4 VAL HA . 4 . HA 1 1
20 1 2 1 1 5 GLN H . 5 . HN 1 1
21 1 1 1 1 8 GLY H . 8 . HN 1 1
21 1 2 1 1 9 HIS H . 9 . HN 1 1
22 1 1 1 1 4 VAL QG . 4 . HG** 1 1
22 1 2 1 1 5 GLN H . 5 . HN 1 1
23 1 1 1 1 7 TRP H . 7 . HN 1 1
23 1 2 1 1 8 GLY H . 8 . HN 1 1
24 1 1 1 1 5 GLN H . 5 . HN 1 1
24 1 2 1 1 6 ASP H . 6 . HN 1 1
25 1 1 1 1 5 GLN H . 5 . HN 1 1
25 1 2 1 1 5 GLN QG . 5 . HG# 1 1
26 1 1 1 1 3 VAL QG . 3 . HG** 1 1
26 1 2 1 1 5 GLN H . 5 . HN 1 1
27 1 1 1 1 4 VAL HB . 4 . HB 1 1
27 1 2 1 1 5 GLN H . 5 . HN 1 1
28 1 1 1 1 7 TRP HA . 7 . HA 1 1
28 1 2 1 1 8 GLY H . 8 . HN 1 1
29 1 1 1 1 12 CYS HB3 . 12 . HB1 1 1
29 1 2 1 1 13 THR H . 13 . HN 1 1
30 1 1 1 1 12 CYS HA . 12 . HA 1 1
30 1 2 1 1 13 THR H . 13 . HN 1 1
31 1 1 1 1 4 VAL H . 4 . HN 1 1
31 1 2 1 1 4 VAL QG . 4 . HG** 1 1
32 1 1 1 1 3 VAL QG . 3 . HG** 1 1
32 1 2 1 1 4 VAL H . 4 . HN 1 1
33 1 1 1 1 4 VAL H . 4 . HN 1 1
33 1 2 1 1 4 VAL HB . 4 . HB 1 1
34 1 1 1 1 3 VAL HB . 3 . HB 1 1
34 1 2 1 1 4 VAL H . 4 . HN 1 1
35 1 1 1 1 3 VAL HA . 3 . HA 1 1
35 1 2 1 1 4 VAL H . 4 . HN 1 1
36 1 1 1 1 5 GLN QB . 5 . HB# 1 1
36 1 2 1 1 6 ASP H . 6 . HN 1 1
37 1 1 1 1 6 ASP H . 6 . HN 1 1
37 1 2 1 1 7 TRP H . 7 . HN 1 1
38 1 1 1 1 6 ASP H . 6 . HN 1 1
38 1 2 1 1 6 ASP QB . 6 . HB# 1 1
39 1 1 1 1 5 GLN HA . 5 . HA 1 1
39 1 2 1 1 6 ASP H . 6 . HN 1 1
40 1 1 1 1 5 GLN QG . 5 . HG# 1 1
40 1 2 1 1 6 ASP H . 6 . HN 1 1
41 1 1 1 1 8 GLY QA . 8 . HA# 1 1
41 1 2 1 1 9 HIS H . 9 . HN 1 1
42 1 1 1 1 9 HIS H . 9 . HN 1 1
42 1 2 1 1 9 HIS HB2 . 9 . HB2 1 1
43 1 1 1 1 9 HIS H . 9 . HN 1 1
43 1 2 1 1 9 HIS HB3 . 9 . HB1 1 1
44 1 1 1 1 7 TRP H . 7 . HN 1 1
44 1 2 1 1 7 TRP HE3 . 7 . HE3 1 1
45 1 1 1 1 6 ASP HA . 6 . HA 1 1
45 1 2 1 1 7 TRP H . 7 . HN 1 1
46 1 1 1 1 6 ASP QB . 6 . HB# 1 1
46 1 2 1 1 7 TRP H . 7 . HN 1 1
47 1 1 1 1 7 TRP H . 7 . HN 1 1
47 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1
48 1 1 1 1 7 TRP H . 7 . HN 1 1
48 1 2 1 1 7 TRP QB . 7 . HB# 1 1
49 1 1 1 1 5 GLN QB . 5 . HB# 1 1
49 1 2 1 1 7 TRP H . 7 . HN 1 1
50 1 1 1 1 5 GLN QG . 5 . HG# 1 1
50 1 2 1 1 7 TRP H . 7 . HN 1 1
51 1 1 1 1 7 TRP HE3 . 7 . HE3 1 1
51 1 2 1 1 8 GLY QA . 8 . HA# 1 1
52 1 1 1 1 7 TRP QB . 7 . HB# 1 1
52 1 2 1 1 7 TRP HE3 . 7 . HE3 1 1
53 1 1 1 1 7 TRP HA . 7 . HA 1 1
53 1 2 1 1 7 TRP HE3 . 7 . HE3 1 1
54 1 1 1 1 5 GLN QB . 5 . HB# 1 1
54 1 2 1 1 5 GLN QE . 5 . HE2# 1 1
55 1 1 1 1 7 TRP QB . 7 . HB# 1 1
55 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1
56 1 1 1 1 7 TRP HA . 7 . HA 1 1
56 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1
57 1 1 1 1 11 ARG QB . 11 . HB# 1 1
57 1 2 1 1 11 ARG HE . 11 . HE 1 1
58 1 1 1 1 10 HIS QB . 10 . HB# 1 1
58 1 2 1 1 10 HIS HD2 . 10 . HD2 1 1
59 1 1 1 1 11 ARG HA . 11 . HA 1 1
59 1 2 1 1 11 ARG QG . 11 . HG# 1 1
60 1 1 1 1 5 GLN HA . 5 . HA 1 1
60 1 2 1 1 5 GLN QG . 5 . HG# 1 1
61 1 1 1 1 5 GLN HA . 5 . HA 1 1
61 1 2 1 1 5 GLN QB . 5 . HB# 1 1
62 1 1 1 1 3 VAL HA . 3 . HA 1 1
62 1 2 1 1 3 VAL QG . 3 . HG** 1 1
63 1 1 1 1 3 VAL HA . 3 . HA 1 1
63 1 2 1 1 4 VAL QG . 4 . HG** 1 1
64 1 1 1 1 11 ARG QB . 11 . HB# 1 1
64 1 2 1 1 11 ARG QD . 11 . HD# 1 1
65 1 1 1 1 3 VAL QG . 3 . HG** 1 1
65 1 2 1 1 6 ASP H . 6 . HN 1 1
66 1 1 1 1 4 VAL QG . 4 . HG** 1 1
66 1 2 1 1 6 ASP H . 6 . HN 1 1
67 1 1 1 1 6 ASP QB . 6 . HB# 1 1
67 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1
68 1 1 1 1 6 ASP H . 6 . HN 1 1
68 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1
69 1 1 1 1 7 TRP HD1 . 7 . HD1 1 1
69 1 2 1 1 8 GLY QA . 8 . HA# 1 1
70 1 1 1 1 5 GLN QB . 5 . HB# 1 1
70 1 2 1 1 7 TRP HE1 . 7 . HE1 1 1
71 1 1 1 1 5 GLN QG . 5 . HG# 1 1
71 1 2 1 1 7 TRP HE1 . 7 . HE1 1 1
72 1 1 1 1 6 ASP QB . 6 . HB# 1 1
72 1 2 1 1 7 TRP HE3 . 7 . HE3 1 1
73 1 1 1 1 6 ASP H . 6 . HN 1 1
73 1 2 1 1 7 TRP HE3 . 7 . HE3 1 1
74 1 1 1 1 6 ASP QB . 6 . HB# 1 1
74 1 2 1 1 9 HIS HD2 . 9 . HD2 1 1
75 1 1 1 1 5 GLN QG . 5 . HG# 1 1
75 1 2 1 1 9 HIS HD2 . 9 . HD2 1 1
76 1 1 1 1 4 VAL QG . 4 . HG** 1 1
76 1 2 1 1 10 HIS HD2 . 10 . HD2 1 1
77 1 1 1 1 9 HIS H . 9 . HN 1 1
77 1 2 1 1 10 HIS H . 10 . HN 1 1
78 1 1 1 1 10 HIS H . 10 . HN 1 1
78 1 2 1 1 11 ARG H . 11 . HN 1 1
79 1 1 1 1 12 CYS H . 12 . HN 1 1
79 1 2 1 1 13 THR H . 13 . HN 1 1
80 1 1 1 1 6 ASP QB . 6 . HB# 1 1
80 1 2 1 1 8 GLY H . 8 . 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 . . . . . 3.5 1.8 3.5 1 1
2 1 . . . . . 6.0 3.0 6.0 1 1
3 1 . . . . . 3.5 1.8 3.5 1 1
4 1 . . . . . 3.5 1.8 3.5 1 1
5 1 . . . . . 3.5 1.8 3.5 1 1
6 1 . . . . . 2.9 1.8 3.4 1 1
7 1 . . . . . 3.5 1.8 3.5 1 1
8 1 . . . . . 3.5 1.8 3.5 1 1
9 1 . . . . . 5.0 1.8 5.0 1 1
10 1 . . . . . 5.0 1.8 5.0 1 1
11 1 . . . . . 3.5 1.8 3.5 1 1
12 1 . . . . . 3.5 1.8 3.5 1 1
13 1 . . . . . 2.9 1.8 2.9 1 1
14 1 . . . . . 3.5 1.8 3.5 1 1
15 1 . . . . . 3.5 1.8 3.5 1 1
16 1 . . . . . 3.5 1.8 3.5 1 1
17 1 . . . . . 3.5 1.8 3.5 1 1
18 1 . . . . . 3.5 1.8 3.5 1 1
19 1 . . . . . 3.5 1.8 3.5 1 1
20 1 . . . . . 2.9 1.8 2.9 1 1
21 1 . . . . . 3.5 1.8 3.5 1 1
22 1 . . . . . 3.5 1.8 4.0 1 1
23 1 . . . . . 3.5 1.8 3.5 1 1
24 1 . . . . . 3.5 1.8 3.5 1 1
25 1 . . . . . 3.5 1.8 3.5 1 1
26 1 . . . . . 5.0 1.8 5.5 1 1
27 1 . . . . . 3.5 1.8 3.5 1 1
28 1 . . . . . 3.5 1.8 3.5 1 1
29 1 . . . . . 5.0 1.8 5.0 1 1
30 1 . . . . . 3.5 1.8 3.5 1 1
31 1 . . . . . 3.5 1.8 4.0 1 1
32 1 . . . . . 3.5 1.8 4.0 1 1
33 1 . . . . . 2.9 1.8 2.9 1 1
34 1 . . . . . 3.5 1.8 3.5 1 1
35 1 . . . . . 2.9 1.8 2.9 1 1
36 1 . . . . . 3.5 1.8 3.5 1 1
37 1 . . . . . 3.5 1.8 3.5 1 1
38 1 . . . . . 2.9 1.8 2.9 1 1
39 1 . . . . . 2.9 1.8 2.9 1 1
40 1 . . . . . 5.0 1.8 5.0 1 1
41 1 . . . . . 3.5 1.8 3.5 1 1
42 1 . . . . . 3.5 1.8 3.5 1 1
43 1 . . . . . 3.5 1.8 3.5 1 1
44 1 . . . . . 5.0 1.8 5.0 1 1
45 1 . . . . . 3.5 1.8 3.5 1 1
46 1 . . . . . 3.5 1.8 3.5 1 1
47 1 . . . . . 5.0 1.8 5.0 1 1
48 1 . . . . . 2.9 1.8 2.9 1 1
49 1 . . . . . 5.0 1.8 5.0 1 1
50 1 . . . . . 5.0 1.8 5.0 1 1
51 1 . . . . . 5.0 1.8 5.0 1 1
52 1 . . . . . 3.3 1.8 3.3 1 1
53 1 . . . . . 5.0 1.8 5.0 1 1
54 1 . . . . . 6.0 3.0 6.0 1 1
55 1 . . . . . 3.3 1.8 3.3 1 1
56 1 . . . . . 5.0 1.8 5.0 1 1
57 1 . . . . . 5.0 1.8 5.0 1 1
58 1 . . . . . 3.3 1.8 3.3 1 1
59 1 . . . . . 3.3 1.8 3.3 1 1
60 1 . . . . . 3.3 1.8 3.3 1 1
61 1 . . . . . 2.7 1.8 2.7 1 1
62 1 . . . . . 2.7 1.8 3.2 1 1
63 1 . . . . . 5.0 1.8 5.5 1 1
64 1 . . . . . 3.3 1.8 3.3 1 1
65 1 . . . . . 5.0 1.8 5.5 1 1
66 1 . . . . . 5.0 1.8 5.5 1 1
67 1 . . . . . 6.0 3.0 6.0 1 1
68 1 . . . . . 6.0 3.0 6.0 1 1
69 1 . . . . . 6.0 3.0 6.0 1 1
70 1 . . . . . 6.0 3.0 6.0 1 1
71 1 . . . . . 6.0 3.0 6.0 1 1
72 1 . . . . . 6.0 3.0 6.0 1 1
73 1 . . . . . 6.0 3.0 6.0 1 1
74 1 . . . . . 6.0 3.0 6.0 1 1
75 1 . . . . . 6.0 3.0 6.0 1 1
76 1 . . . . . 6.0 3.0 6.5 1 1
77 1 . . . . . 5.0 1.8 5.0 1 1
78 1 . . . . . 3.5 1.8 3.5 1 1
79 1 . . . . . 5.0 1.8 5.0 1 1
80 1 . . . . . 6.0 3.0 6.0 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "disulfide bond"
_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 2
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 2 CYS SG . 2 . SG 1 2
1 1 2 1 1 12 CYS SG . 12 . SG 1 2
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 . . . . . 2.02 1.92 2.12 1 2
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 1 ILE C 1 1 2 CYS N 1 1 2 CYS CA 1 1 2 CYS C -170.0 -70.0 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1
2 . 1 1 2 CYS C 1 1 3 VAL N 1 1 3 VAL CA 1 1 3 VAL C -170.0 -70.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
3 . 1 1 6 ASP C 1 1 7 TRP N 1 1 7 TRP CA 1 1 7 TRP C -160.0 -80.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1
4 . 1 1 8 GLY C 1 1 9 HIS N 1 1 9 HIS CA 1 1 9 HIS C -160.0 -80.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1
5 . 1 1 9 HIS C 1 1 10 HIS N 1 1 10 HIS CA 1 1 10 HIS C -160.0 -80.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1
6 . 1 1 11 ARG C 1 1 12 CYS N 1 1 12 CYS CA 1 1 12 CYS C -170.0 -70.0 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1
7 . 1 1 12 CYS C 1 1 13 THR N 1 1 13 THR CA 1 1 13 THR C -170.0 -70.0 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1
8 . 1 1 9 HIS N 1 1 9 HIS CA 1 1 9 HIS CB 1 1 9 HIS CG -89.99999 -30.0 . 9 . N . 9 . CA . 9 . CB . 9 . CG 1 1
9 . 1 1 12 CYS N 1 1 12 CYS CA 1 1 12 CYS CB 1 1 12 CYS SG -89.99999 -30.0 . 12 . N . 12 . CA . 12 . CB . 12 . SG 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 ILE C C -4.773 4.681 0.627 1.00 . A A . 1 ILE C 1 1
1 2 1 1 1 ILE CA C -5.843 5.515 -0.080 1.00 . A A . 1 ILE CA 1 1
1 3 1 1 1 ILE CB C -5.512 7.005 0.020 1.00 . A A . 1 ILE CB 1 1
1 4 1 1 1 ILE CD1 C -3.902 8.784 -0.683 1.00 . A A . 1 ILE CD1 1 1
1 5 1 1 1 ILE CG1 C -4.205 7.285 -0.725 1.00 . A A . 1 ILE CG1 1 1
1 6 1 1 1 ILE CG2 C -5.350 7.396 1.490 1.00 . A A . 1 ILE CG2 1 1
1 7 1 1 1 ILE H1 H -7.004 5.202 1.622 1.00 . A A . 1 ILE H1 1 1
1 8 1 1 1 ILE H2 H -7.724 6.220 0.473 1.00 . A A . 1 ILE H2 1 1
1 9 1 1 1 ILE H3 H -7.664 4.545 0.202 1.00 . A A . 1 ILE H3 1 1
1 10 1 1 1 ILE HA H -5.922 5.226 -1.115 1.00 . A A . 1 ILE HA 1 1
1 11 1 1 1 ILE HB H -6.312 7.583 -0.421 1.00 . A A . 1 ILE HB 1 1
1 12 1 1 1 ILE HD11 H -4.711 9.301 -0.187 1.00 . A A . 1 ILE HD11 1 1
1 13 1 1 1 ILE HD12 H -2.982 8.952 -0.142 1.00 . A A . 1 ILE HD12 1 1
1 14 1 1 1 ILE HD13 H -3.800 9.159 -1.690 1.00 . A A . 1 ILE HD13 1 1
1 15 1 1 1 ILE HG12 H -3.398 6.742 -0.252 1.00 . A A . 1 ILE HG12 1 1
1 16 1 1 1 ILE HG13 H -4.300 6.968 -1.752 1.00 . A A . 1 ILE HG13 1 1
1 17 1 1 1 ILE HG21 H -5.992 6.778 2.099 1.00 . A A . 1 ILE HG21 1 1
1 18 1 1 1 ILE HG22 H -4.322 7.252 1.789 1.00 . A A . 1 ILE HG22 1 1
1 19 1 1 1 ILE HG23 H -5.620 8.434 1.618 1.00 . A A . 1 ILE HG23 1 1
1 20 1 1 1 ILE N N -7.158 5.359 0.606 1.00 . A A . 1 ILE N 1 1
1 21 1 1 1 ILE O O -4.775 4.541 1.834 1.00 . A A . 1 ILE O 1 1
1 22 1 1 2 CYS C C -1.717 2.955 -0.538 1.00 . A A . 2 CYS C 1 1
1 23 1 1 2 CYS CA C -2.785 3.297 0.503 1.00 . A A . 2 CYS CA 1 1
1 24 1 1 2 CYS CB C -3.469 2.018 1.013 1.00 . A A . 2 CYS CB 1 1
1 25 1 1 2 CYS H H -3.879 4.251 -1.090 1.00 . A A . 2 CYS H 1 1
1 26 1 1 2 CYS HA H -2.341 3.827 1.331 1.00 . A A . 2 CYS HA 1 1
1 27 1 1 2 CYS HB2 H -2.747 1.217 1.040 1.00 . A A . 2 CYS HB2 1 1
1 28 1 1 2 CYS HB3 H -3.846 2.190 2.010 1.00 . A A . 2 CYS HB3 1 1
1 29 1 1 2 CYS N N -3.859 4.125 -0.119 1.00 . A A . 2 CYS N 1 1
1 30 1 1 2 CYS O O -1.962 2.227 -1.480 1.00 . A A . 2 CYS O 1 1
1 31 1 1 2 CYS SG S -4.843 1.547 -0.078 1.00 . A A . 2 CYS SG 1 1
1 32 1 1 3 VAL C C 1.888 3.026 -0.633 1.00 . A A . 3 VAL C 1 1
1 33 1 1 3 VAL CA C 0.556 3.186 -1.353 1.00 . A A . 3 VAL CA 1 1
1 34 1 1 3 VAL CB C 0.589 4.401 -2.271 1.00 . A A . 3 VAL CB 1 1
1 35 1 1 3 VAL CG1 C 1.897 4.417 -3.067 1.00 . A A . 3 VAL CG1 1 1
1 36 1 1 3 VAL CG2 C -0.597 4.339 -3.236 1.00 . A A . 3 VAL CG2 1 1
1 37 1 1 3 VAL H H -0.361 4.062 0.392 1.00 . A A . 3 VAL H 1 1
1 38 1 1 3 VAL HA H 0.328 2.301 -1.908 1.00 . A A . 3 VAL HA 1 1
1 39 1 1 3 VAL HB H 0.521 5.294 -1.670 1.00 . A A . 3 VAL HB 1 1
1 40 1 1 3 VAL HG11 H 2.170 3.407 -3.335 1.00 . A A . 3 VAL HG11 1 1
1 41 1 1 3 VAL HG12 H 1.767 5.004 -3.964 1.00 . A A . 3 VAL HG12 1 1
1 42 1 1 3 VAL HG13 H 2.680 4.852 -2.463 1.00 . A A . 3 VAL HG13 1 1
1 43 1 1 3 VAL HG21 H -1.449 3.913 -2.728 1.00 . A A . 3 VAL HG21 1 1
1 44 1 1 3 VAL HG22 H -0.839 5.335 -3.575 1.00 . A A . 3 VAL HG22 1 1
1 45 1 1 3 VAL HG23 H -0.338 3.723 -4.084 1.00 . A A . 3 VAL HG23 1 1
1 46 1 1 3 VAL N N -0.533 3.477 -0.374 1.00 . A A . 3 VAL N 1 1
1 47 1 1 3 VAL O O 2.940 2.958 -1.238 1.00 . A A . 3 VAL O 1 1
1 48 1 1 4 VAL C C 3.710 1.434 1.172 1.00 . A A . 4 VAL C 1 1
1 49 1 1 4 VAL CA C 3.101 2.808 1.437 1.00 . A A . 4 VAL CA 1 1
1 50 1 1 4 VAL CB C 2.720 2.968 2.917 1.00 . A A . 4 VAL CB 1 1
1 51 1 1 4 VAL CG1 C 1.375 2.296 3.202 1.00 . A A . 4 VAL CG1 1 1
1 52 1 1 4 VAL CG2 C 3.796 2.328 3.799 1.00 . A A . 4 VAL CG2 1 1
1 53 1 1 4 VAL H H 0.979 3.022 1.098 1.00 . A A . 4 VAL H 1 1
1 54 1 1 4 VAL HA H 3.802 3.579 1.159 1.00 . A A . 4 VAL HA 1 1
1 55 1 1 4 VAL HB H 2.653 4.016 3.148 1.00 . A A . 4 VAL HB 1 1
1 56 1 1 4 VAL HG11 H 1.247 1.452 2.542 1.00 . A A . 4 VAL HG11 1 1
1 57 1 1 4 VAL HG12 H 1.353 1.959 4.228 1.00 . A A . 4 VAL HG12 1 1
1 58 1 1 4 VAL HG13 H 0.577 3.006 3.040 1.00 . A A . 4 VAL HG13 1 1
1 59 1 1 4 VAL HG21 H 4.763 2.729 3.535 1.00 . A A . 4 VAL HG21 1 1
1 60 1 1 4 VAL HG22 H 3.587 2.545 4.837 1.00 . A A . 4 VAL HG22 1 1
1 61 1 1 4 VAL HG23 H 3.795 1.258 3.648 1.00 . A A . 4 VAL HG23 1 1
1 62 1 1 4 VAL N N 1.842 2.966 0.654 1.00 . A A . 4 VAL N 1 1
1 63 1 1 4 VAL O O 3.074 0.548 0.638 1.00 . A A . 4 VAL O 1 1
1 64 1 1 5 GLN C C 5.375 -0.502 -0.138 1.00 . A A . 5 GLN C 1 1
1 65 1 1 5 GLN CA C 5.617 -0.044 1.297 1.00 . A A . 5 GLN CA 1 1
1 66 1 1 5 GLN CB C 4.989 -1.020 2.278 1.00 . A A . 5 GLN CB 1 1
1 67 1 1 5 GLN CD C 4.825 -1.196 4.770 1.00 . A A . 5 GLN CD 1 1
1 68 1 1 5 GLN CG C 5.779 -1.008 3.589 1.00 . A A . 5 GLN CG 1 1
1 69 1 1 5 GLN H H 5.433 2.000 1.954 1.00 . A A . 5 GLN H 1 1
1 70 1 1 5 GLN HA H 6.675 0.040 1.489 1.00 . A A . 5 GLN HA 1 1
1 71 1 1 5 GLN HB2 H 3.965 -0.735 2.464 1.00 . A A . 5 GLN HB2 1 1
1 72 1 1 5 GLN HB3 H 5.019 -2.009 1.851 1.00 . A A . 5 GLN HB3 1 1
1 73 1 1 5 GLN HE21 H 6.156 -2.191 5.862 1.00 . A A . 5 GLN HE21 1 1
1 74 1 1 5 GLN HE22 H 4.632 -1.963 6.595 1.00 . A A . 5 GLN HE22 1 1
1 75 1 1 5 GLN HG2 H 6.503 -1.810 3.579 1.00 . A A . 5 GLN HG2 1 1
1 76 1 1 5 GLN HG3 H 6.292 -0.063 3.690 1.00 . A A . 5 GLN HG3 1 1
1 77 1 1 5 GLN N N 4.944 1.263 1.534 1.00 . A A . 5 GLN N 1 1
1 78 1 1 5 GLN NE2 N 5.239 -1.836 5.830 1.00 . A A . 5 GLN NE2 1 1
1 79 1 1 5 GLN O O 4.366 -1.099 -0.462 1.00 . A A . 5 GLN O 1 1
1 80 1 1 5 GLN OE1 O 3.694 -0.754 4.730 1.00 . A A . 5 GLN OE1 1 1
1 81 1 1 6 ASP C C 6.477 -2.095 -2.602 1.00 . A A . 6 ASP C 1 1
1 82 1 1 6 ASP CA C 6.185 -0.607 -2.425 1.00 . A A . 6 ASP CA 1 1
1 83 1 1 6 ASP CB C 7.261 0.207 -3.131 1.00 . A A . 6 ASP CB 1 1
1 84 1 1 6 ASP CG C 6.907 0.363 -4.611 1.00 . A A . 6 ASP CG 1 1
1 85 1 1 6 ASP H H 7.093 0.265 -0.679 1.00 . A A . 6 ASP H 1 1
1 86 1 1 6 ASP HA H 5.213 -0.356 -2.812 1.00 . A A . 6 ASP HA 1 1
1 87 1 1 6 ASP HB2 H 7.335 1.181 -2.670 1.00 . A A . 6 ASP HB2 1 1
1 88 1 1 6 ASP HB3 H 8.206 -0.309 -3.040 1.00 . A A . 6 ASP HB3 1 1
1 89 1 1 6 ASP N N 6.305 -0.216 -0.989 1.00 . A A . 6 ASP N 1 1
1 90 1 1 6 ASP O O 5.827 -2.784 -3.363 1.00 . A A . 6 ASP O 1 1
1 91 1 1 6 ASP OD1 O 5.746 0.188 -4.946 1.00 . A A . 6 ASP OD1 1 1
1 92 1 1 6 ASP OD2 O 7.803 0.656 -5.386 1.00 . A A . 6 ASP OD2 1 1
1 93 1 1 7 TRP C C 6.859 -4.883 -1.228 1.00 . A A . 7 TRP C 1 1
1 94 1 1 7 TRP CA C 7.823 -4.026 -2.039 1.00 . A A . 7 TRP CA 1 1
1 95 1 1 7 TRP CB C 9.242 -4.149 -1.467 1.00 . A A . 7 TRP CB 1 1
1 96 1 1 7 TRP CD1 C 10.087 -2.302 0.038 1.00 . A A . 7 TRP CD1 1 1
1 97 1 1 7 TRP CD2 C 8.728 -3.729 1.122 1.00 . A A . 7 TRP CD2 1 1
1 98 1 1 7 TRP CE2 C 9.125 -2.751 2.064 1.00 . A A . 7 TRP CE2 1 1
1 99 1 1 7 TRP CE3 C 7.865 -4.749 1.554 1.00 . A A . 7 TRP CE3 1 1
1 100 1 1 7 TRP CG C 9.350 -3.419 -0.161 1.00 . A A . 7 TRP CG 1 1
1 101 1 1 7 TRP CH2 C 7.821 -3.810 3.798 1.00 . A A . 7 TRP CH2 1 1
1 102 1 1 7 TRP CZ2 C 8.680 -2.787 3.387 1.00 . A A . 7 TRP CZ2 1 1
1 103 1 1 7 TRP CZ3 C 7.415 -4.790 2.883 1.00 . A A . 7 TRP CZ3 1 1
1 104 1 1 7 TRP H H 7.975 -2.000 -1.317 1.00 . A A . 7 TRP H 1 1
1 105 1 1 7 TRP HA H 7.817 -4.327 -3.074 1.00 . A A . 7 TRP HA 1 1
1 106 1 1 7 TRP HB2 H 9.469 -5.191 -1.309 1.00 . A A . 7 TRP HB2 1 1
1 107 1 1 7 TRP HB3 H 9.945 -3.731 -2.170 1.00 . A A . 7 TRP HB3 1 1
1 108 1 1 7 TRP HD1 H 10.682 -1.803 -0.711 1.00 . A A . 7 TRP HD1 1 1
1 109 1 1 7 TRP HE1 H 10.386 -1.122 1.757 1.00 . A A . 7 TRP HE1 1 1
1 110 1 1 7 TRP HE3 H 7.547 -5.505 0.857 1.00 . A A . 7 TRP HE3 1 1
1 111 1 1 7 TRP HH2 H 7.471 -3.845 4.819 1.00 . A A . 7 TRP HH2 1 1
1 112 1 1 7 TRP HZ2 H 8.996 -2.028 4.088 1.00 . A A . 7 TRP HZ2 1 1
1 113 1 1 7 TRP HZ3 H 6.750 -5.580 3.202 1.00 . A A . 7 TRP HZ3 1 1
1 114 1 1 7 TRP N N 7.464 -2.585 -1.911 1.00 . A A . 7 TRP N 1 1
1 115 1 1 7 TRP NE1 N 9.954 -1.905 1.356 1.00 . A A . 7 TRP NE1 1 1
1 116 1 1 7 TRP O O 6.800 -6.086 -1.383 1.00 . A A . 7 TRP O 1 1
1 117 1 1 8 GLY C C 3.824 -4.330 0.567 1.00 . A A . 8 GLY C 1 1
1 118 1 1 8 GLY CA C 5.164 -5.055 0.483 1.00 . A A . 8 GLY CA 1 1
1 119 1 1 8 GLY H H 6.189 -3.307 -0.241 1.00 . A A . 8 GLY H 1 1
1 120 1 1 8 GLY HA2 H 5.018 -6.031 0.041 1.00 . A A . 8 GLY HA2 1 1
1 121 1 1 8 GLY HA3 H 5.570 -5.167 1.476 1.00 . A A . 8 GLY HA3 1 1
1 122 1 1 8 GLY N N 6.114 -4.275 -0.354 1.00 . A A . 8 GLY N 1 1
1 123 1 1 8 GLY O O 3.541 -3.630 1.519 1.00 . A A . 8 GLY O 1 1
1 124 1 1 9 HIS C C 0.685 -4.680 0.441 1.00 . A A . 9 HIS C 1 1
1 125 1 1 9 HIS CA C 1.658 -3.840 -0.391 1.00 . A A . 9 HIS CA 1 1
1 126 1 1 9 HIS CB C 1.209 -3.784 -1.852 1.00 . A A . 9 HIS CB 1 1
1 127 1 1 9 HIS CD2 C 2.939 -1.978 -2.661 1.00 . A A . 9 HIS CD2 1 1
1 128 1 1 9 HIS CE1 C 1.535 -0.541 -3.477 1.00 . A A . 9 HIS CE1 1 1
1 129 1 1 9 HIS CG C 1.683 -2.500 -2.476 1.00 . A A . 9 HIS CG 1 1
1 130 1 1 9 HIS H H 3.240 -5.079 -1.169 1.00 . A A . 9 HIS H 1 1
1 131 1 1 9 HIS HA H 1.739 -2.843 0.011 1.00 . A A . 9 HIS HA 1 1
1 132 1 1 9 HIS HB2 H 1.629 -4.624 -2.391 1.00 . A A . 9 HIS HB2 1 1
1 133 1 1 9 HIS HB3 H 0.130 -3.828 -1.899 1.00 . A A . 9 HIS HB3 1 1
1 134 1 1 9 HIS HD1 H -0.174 -1.641 -3.029 1.00 . A A . 9 HIS HD1 1 1
1 135 1 1 9 HIS HD2 H 3.861 -2.454 -2.363 1.00 . A A . 9 HIS HD2 1 1
1 136 1 1 9 HIS HE1 H 1.115 0.337 -3.947 1.00 . A A . 9 HIS HE1 1 1
1 137 1 1 9 HIS N N 2.991 -4.504 -0.417 1.00 . A A . 9 HIS N 1 1
1 138 1 1 9 HIS ND1 N 0.803 -1.567 -3.004 1.00 . A A . 9 HIS ND1 1 1
1 139 1 1 9 HIS NE2 N 2.843 -0.741 -3.294 1.00 . A A . 9 HIS NE2 1 1
1 140 1 1 9 HIS O O 1.058 -5.678 1.025 1.00 . A A . 9 HIS O 1 1
1 141 1 1 10 HIS C C -2.747 -5.458 0.434 1.00 . A A . 10 HIS C 1 1
1 142 1 1 10 HIS CA C -1.539 -5.075 1.302 1.00 . A A . 10 HIS CA 1 1
1 143 1 1 10 HIS CB C -1.939 -4.148 2.455 1.00 . A A . 10 HIS CB 1 1
1 144 1 1 10 HIS CD2 C 0.117 -2.542 2.775 1.00 . A A . 10 HIS CD2 1 1
1 145 1 1 10 HIS CE1 C 0.946 -3.441 4.563 1.00 . A A . 10 HIS CE1 1 1
1 146 1 1 10 HIS CG C -0.697 -3.599 3.102 1.00 . A A . 10 HIS CG 1 1
1 147 1 1 10 HIS H H -0.842 -3.482 0.027 1.00 . A A . 10 HIS H 1 1
1 148 1 1 10 HIS HA H -1.072 -5.962 1.695 1.00 . A A . 10 HIS HA 1 1
1 149 1 1 10 HIS HB2 H -2.534 -3.332 2.077 1.00 . A A . 10 HIS HB2 1 1
1 150 1 1 10 HIS HB3 H -2.509 -4.703 3.184 1.00 . A A . 10 HIS HB3 1 1
1 151 1 1 10 HIS HD1 H -0.493 -4.934 4.735 1.00 . A A . 10 HIS HD1 1 1
1 152 1 1 10 HIS HD2 H -0.026 -1.887 1.928 1.00 . A A . 10 HIS HD2 1 1
1 153 1 1 10 HIS HE1 H 1.580 -3.646 5.413 1.00 . A A . 10 HIS HE1 1 1
1 154 1 1 10 HIS N N -0.557 -4.289 0.503 1.00 . A A . 10 HIS N 1 1
1 155 1 1 10 HIS ND1 N -0.148 -4.158 4.247 1.00 . A A . 10 HIS ND1 1 1
1 156 1 1 10 HIS NE2 N 1.153 -2.445 3.698 1.00 . A A . 10 HIS NE2 1 1
1 157 1 1 10 HIS O O -2.814 -6.549 -0.098 1.00 . A A . 10 HIS O 1 1
1 158 1 1 11 ARG C C -5.828 -3.695 -0.624 1.00 . A A . 11 ARG C 1 1
1 159 1 1 11 ARG CA C -4.886 -4.900 -0.561 1.00 . A A . 11 ARG CA 1 1
1 160 1 1 11 ARG CB C -5.567 -6.074 0.144 1.00 . A A . 11 ARG CB 1 1
1 161 1 1 11 ARG CD C -5.800 -6.674 2.559 1.00 . A A . 11 ARG CD 1 1
1 162 1 1 11 ARG CG C -6.106 -5.614 1.500 1.00 . A A . 11 ARG CG 1 1
1 163 1 1 11 ARG CZ C -5.471 -5.163 4.421 1.00 . A A . 11 ARG CZ 1 1
1 164 1 1 11 ARG H H -3.626 -3.702 0.707 1.00 . A A . 11 ARG H 1 1
1 165 1 1 11 ARG HA H -4.579 -5.192 -1.552 1.00 . A A . 11 ARG HA 1 1
1 166 1 1 11 ARG HB2 H -6.383 -6.434 -0.466 1.00 . A A . 11 ARG HB2 1 1
1 167 1 1 11 ARG HB3 H -4.852 -6.869 0.295 1.00 . A A . 11 ARG HB3 1 1
1 168 1 1 11 ARG HD2 H -6.715 -7.016 3.022 1.00 . A A . 11 ARG HD2 1 1
1 169 1 1 11 ARG HD3 H -5.266 -7.502 2.121 1.00 . A A . 11 ARG HD3 1 1
1 170 1 1 11 ARG HE H -3.971 -6.140 3.563 1.00 . A A . 11 ARG HE 1 1
1 171 1 1 11 ARG HG2 H -5.635 -4.681 1.775 1.00 . A A . 11 ARG HG2 1 1
1 172 1 1 11 ARG HG3 H -7.175 -5.472 1.434 1.00 . A A . 11 ARG HG3 1 1
1 173 1 1 11 ARG HH11 H -6.303 -6.624 5.512 1.00 . A A . 11 ARG HH11 1 1
1 174 1 1 11 ARG HH12 H -6.587 -5.004 6.077 1.00 . A A . 11 ARG HH12 1 1
1 175 1 1 11 ARG HH21 H -4.765 -3.516 3.530 1.00 . A A . 11 ARG HH21 1 1
1 176 1 1 11 ARG HH22 H -5.708 -3.249 4.958 1.00 . A A . 11 ARG HH22 1 1
1 177 1 1 11 ARG N N -3.696 -4.576 0.279 1.00 . A A . 11 ARG N 1 1
1 178 1 1 11 ARG NE N -4.937 -5.981 3.556 1.00 . A A . 11 ARG NE 1 1
1 179 1 1 11 ARG NH1 N -6.174 -5.634 5.415 1.00 . A A . 11 ARG NH1 1 1
1 180 1 1 11 ARG NH2 N -5.302 -3.876 4.293 1.00 . A A . 11 ARG NH2 1 1
1 181 1 1 11 ARG O O -6.866 -3.671 0.007 1.00 . A A . 11 ARG O 1 1
1 182 1 1 12 CYS C C -7.634 -1.836 -2.245 1.00 . A A . 12 CYS C 1 1
1 183 1 1 12 CYS CA C -6.349 -1.490 -1.479 1.00 . A A . 12 CYS CA 1 1
1 184 1 1 12 CYS CB C -5.510 -0.457 -2.232 1.00 . A A . 12 CYS CB 1 1
1 185 1 1 12 CYS H H -4.632 -2.727 -1.881 1.00 . A A . 12 CYS H 1 1
1 186 1 1 12 CYS HA H -6.589 -1.122 -0.494 1.00 . A A . 12 CYS HA 1 1
1 187 1 1 12 CYS HB2 H -5.147 -0.889 -3.154 1.00 . A A . 12 CYS HB2 1 1
1 188 1 1 12 CYS HB3 H -6.118 0.408 -2.453 1.00 . A A . 12 CYS HB3 1 1
1 189 1 1 12 CYS N N -5.473 -2.692 -1.380 1.00 . A A . 12 CYS N 1 1
1 190 1 1 12 CYS O O -8.342 -2.757 -1.889 1.00 . A A . 12 CYS O 1 1
1 191 1 1 12 CYS SG S -4.105 0.042 -1.204 1.00 . A A . 12 CYS SG 1 1
1 192 1 1 13 THR C C -8.838 -1.868 -5.474 1.00 . A A . 13 THR C 1 1
1 193 1 1 13 THR CA C -9.190 -1.419 -4.054 1.00 . A A . 13 THR CA 1 1
1 194 1 1 13 THR CB C -9.979 -0.107 -4.085 1.00 . A A . 13 THR CB 1 1
1 195 1 1 13 THR CG2 C -11.289 -0.280 -3.316 1.00 . A A . 13 THR CG2 1 1
1 196 1 1 13 THR H H -7.373 -0.372 -3.568 1.00 . A A . 13 THR H 1 1
1 197 1 1 13 THR HA H -9.764 -2.181 -3.550 1.00 . A A . 13 THR HA 1 1
1 198 1 1 13 THR HB H -10.201 0.154 -5.107 1.00 . A A . 13 THR HB 1 1
1 199 1 1 13 THR HG1 H -8.960 1.548 -4.182 1.00 . A A . 13 THR HG1 1 1
1 200 1 1 13 THR HG21 H -11.153 -1.012 -2.534 1.00 . A A . 13 THR HG21 1 1
1 201 1 1 13 THR HG22 H -11.577 0.665 -2.878 1.00 . A A . 13 THR HG22 1 1
1 202 1 1 13 THR HG23 H -12.061 -0.614 -3.992 1.00 . A A . 13 THR HG23 1 1
1 203 1 1 13 THR N N -7.948 -1.113 -3.288 1.00 . A A . 13 THR N 1 1
1 204 1 1 13 THR O O -7.691 -2.125 -5.780 1.00 . A A . 13 THR O 1 1
1 205 1 1 13 THR OG1 O -9.209 0.930 -3.491 1.00 . A A . 13 THR OG1 1 1
1 206 1 1 14 NH2 HN1 H -10.717 -1.770 -6.116 1.00 . A A . 14 NH2 HN1 1 1
1 207 1 1 14 NH2 HN2 H -9.573 -2.269 -7.277 1.00 . A A . 14 NH2 HN2 1 1
1 208 1 1 14 NH2 N N -9.788 -1.978 -6.363 1.00 . A A . 14 NH2 N 1 1
2 209 1 1 1 ILE C C -4.192 5.440 0.512 1.00 . A A . 1 ILE C 1 1
2 210 1 1 1 ILE CA C -5.250 6.198 -0.291 1.00 . A A . 1 ILE CA 1 1
2 211 1 1 1 ILE CB C -5.705 7.452 0.455 1.00 . A A . 1 ILE CB 1 1
2 212 1 1 1 ILE CD1 C -7.583 9.095 0.648 1.00 . A A . 1 ILE CD1 1 1
2 213 1 1 1 ILE CG1 C -6.924 8.049 -0.253 1.00 . A A . 1 ILE CG1 1 1
2 214 1 1 1 ILE CG2 C -4.571 8.480 0.468 1.00 . A A . 1 ILE CG2 1 1
2 215 1 1 1 ILE H1 H -6.209 4.365 -0.532 1.00 . A A . 1 ILE H1 1 1
2 216 1 1 1 ILE H2 H -7.071 5.476 0.414 1.00 . A A . 1 ILE H2 1 1
2 217 1 1 1 ILE H3 H -7.010 5.669 -1.271 1.00 . A A . 1 ILE H3 1 1
2 218 1 1 1 ILE HA H -4.865 6.465 -1.263 1.00 . A A . 1 ILE HA 1 1
2 219 1 1 1 ILE HB H -5.966 7.192 1.470 1.00 . A A . 1 ILE HB 1 1
2 220 1 1 1 ILE HD11 H -6.853 9.484 1.342 1.00 . A A . 1 ILE HD11 1 1
2 221 1 1 1 ILE HD12 H -7.969 9.902 0.042 1.00 . A A . 1 ILE HD12 1 1
2 222 1 1 1 ILE HD13 H -8.394 8.638 1.197 1.00 . A A . 1 ILE HD13 1 1
2 223 1 1 1 ILE HG12 H -6.611 8.515 -1.177 1.00 . A A . 1 ILE HG12 1 1
2 224 1 1 1 ILE HG13 H -7.635 7.265 -0.469 1.00 . A A . 1 ILE HG13 1 1
2 225 1 1 1 ILE HG21 H -4.267 8.694 -0.545 1.00 . A A . 1 ILE HG21 1 1
2 226 1 1 1 ILE HG22 H -4.914 9.389 0.940 1.00 . A A . 1 ILE HG22 1 1
2 227 1 1 1 ILE HG23 H -3.731 8.082 1.020 1.00 . A A . 1 ILE HG23 1 1
2 228 1 1 1 ILE N N -6.479 5.364 -0.431 1.00 . A A . 1 ILE N 1 1
2 229 1 1 1 ILE O O -3.960 5.716 1.672 1.00 . A A . 1 ILE O 1 1
2 230 1 1 2 CYS C C -1.476 3.162 -0.373 1.00 . A A . 2 CYS C 1 1
2 231 1 1 2 CYS CA C -2.505 3.701 0.620 1.00 . A A . 2 CYS CA 1 1
2 232 1 1 2 CYS CB C -3.223 2.535 1.326 1.00 . A A . 2 CYS CB 1 1
2 233 1 1 2 CYS H H -3.757 4.280 -1.036 1.00 . A A . 2 CYS H 1 1
2 234 1 1 2 CYS HA H -2.018 4.324 1.352 1.00 . A A . 2 CYS HA 1 1
2 235 1 1 2 CYS HB2 H -2.579 1.669 1.318 1.00 . A A . 2 CYS HB2 1 1
2 236 1 1 2 CYS HB3 H -3.425 2.815 2.349 1.00 . A A . 2 CYS HB3 1 1
2 237 1 1 2 CYS N N -3.551 4.484 -0.101 1.00 . A A . 2 CYS N 1 1
2 238 1 1 2 CYS O O -1.754 2.278 -1.159 1.00 . A A . 2 CYS O 1 1
2 239 1 1 2 CYS SG S -4.785 2.120 0.496 1.00 . A A . 2 CYS SG 1 1
2 240 1 1 3 VAL C C 2.063 2.965 -0.493 1.00 . A A . 3 VAL C 1 1
2 241 1 1 3 VAL CA C 0.777 3.216 -1.265 1.00 . A A . 3 VAL CA 1 1
2 242 1 1 3 VAL CB C 0.962 4.353 -2.261 1.00 . A A . 3 VAL CB 1 1
2 243 1 1 3 VAL CG1 C 2.221 4.104 -3.094 1.00 . A A . 3 VAL CG1 1 1
2 244 1 1 3 VAL CG2 C -0.258 4.425 -3.181 1.00 . A A . 3 VAL CG2 1 1
2 245 1 1 3 VAL H H -0.090 4.397 0.312 1.00 . A A . 3 VAL H 1 1
2 246 1 1 3 VAL HA H 0.464 2.324 -1.763 1.00 . A A . 3 VAL HA 1 1
2 247 1 1 3 VAL HB H 1.065 5.280 -1.719 1.00 . A A . 3 VAL HB 1 1
2 248 1 1 3 VAL HG11 H 2.434 3.047 -3.121 1.00 . A A . 3 VAL HG11 1 1
2 249 1 1 3 VAL HG12 H 2.063 4.465 -4.102 1.00 . A A . 3 VAL HG12 1 1
2 250 1 1 3 VAL HG13 H 3.055 4.629 -2.651 1.00 . A A . 3 VAL HG13 1 1
2 251 1 1 3 VAL HG21 H -0.807 3.496 -3.124 1.00 . A A . 3 VAL HG21 1 1
2 252 1 1 3 VAL HG22 H -0.896 5.240 -2.868 1.00 . A A . 3 VAL HG22 1 1
2 253 1 1 3 VAL HG23 H 0.064 4.591 -4.197 1.00 . A A . 3 VAL HG23 1 1
2 254 1 1 3 VAL N N -0.287 3.690 -0.335 1.00 . A A . 3 VAL N 1 1
2 255 1 1 3 VAL O O 3.115 2.740 -1.058 1.00 . A A . 3 VAL O 1 1
2 256 1 1 4 VAL C C 3.815 1.424 1.279 1.00 . A A . 4 VAL C 1 1
2 257 1 1 4 VAL CA C 3.181 2.764 1.638 1.00 . A A . 4 VAL CA 1 1
2 258 1 1 4 VAL CB C 2.682 2.753 3.084 1.00 . A A . 4 VAL CB 1 1
2 259 1 1 4 VAL CG1 C 1.363 1.982 3.177 1.00 . A A . 4 VAL CG1 1 1
2 260 1 1 4 VAL CG2 C 3.721 2.082 3.987 1.00 . A A . 4 VAL CG2 1 1
2 261 1 1 4 VAL H H 1.112 3.183 1.206 1.00 . A A . 4 VAL H 1 1
2 262 1 1 4 VAL HA H 3.893 3.562 1.503 1.00 . A A . 4 VAL HA 1 1
2 263 1 1 4 VAL HB H 2.531 3.767 3.412 1.00 . A A . 4 VAL HB 1 1
2 264 1 1 4 VAL HG11 H 1.211 1.417 2.269 1.00 . A A . 4 VAL HG11 1 1
2 265 1 1 4 VAL HG12 H 1.398 1.306 4.019 1.00 . A A . 4 VAL HG12 1 1
2 266 1 1 4 VAL HG13 H 0.547 2.678 3.308 1.00 . A A . 4 VAL HG13 1 1
2 267 1 1 4 VAL HG21 H 4.663 2.600 3.899 1.00 . A A . 4 VAL HG21 1 1
2 268 1 1 4 VAL HG22 H 3.385 2.121 5.011 1.00 . A A . 4 VAL HG22 1 1
2 269 1 1 4 VAL HG23 H 3.846 1.051 3.687 1.00 . A A . 4 VAL HG23 1 1
2 270 1 1 4 VAL N N 1.975 3.001 0.796 1.00 . A A . 4 VAL N 1 1
2 271 1 1 4 VAL O O 3.260 0.637 0.538 1.00 . A A . 4 VAL O 1 1
2 272 1 1 5 GLN C C 5.645 -0.352 -0.021 1.00 . A A . 5 GLN C 1 1
2 273 1 1 5 GLN CA C 5.664 -0.114 1.484 1.00 . A A . 5 GLN CA 1 1
2 274 1 1 5 GLN CB C 4.867 -1.197 2.197 1.00 . A A . 5 GLN CB 1 1
2 275 1 1 5 GLN CD C 4.188 -1.829 4.523 1.00 . A A . 5 GLN CD 1 1
2 276 1 1 5 GLN CG C 5.335 -1.316 3.650 1.00 . A A . 5 GLN CG 1 1
2 277 1 1 5 GLN H H 5.407 1.822 2.380 1.00 . A A . 5 GLN H 1 1
2 278 1 1 5 GLN HA H 6.678 -0.097 1.852 1.00 . A A . 5 GLN HA 1 1
2 279 1 1 5 GLN HB2 H 3.818 -0.947 2.171 1.00 . A A . 5 GLN HB2 1 1
2 280 1 1 5 GLN HB3 H 5.029 -2.134 1.689 1.00 . A A . 5 GLN HB3 1 1
2 281 1 1 5 GLN HE21 H 4.513 -0.510 5.975 1.00 . A A . 5 GLN HE21 1 1
2 282 1 1 5 GLN HE22 H 3.218 -1.587 6.244 1.00 . A A . 5 GLN HE22 1 1
2 283 1 1 5 GLN HG2 H 6.165 -2.006 3.705 1.00 . A A . 5 GLN HG2 1 1
2 284 1 1 5 GLN HG3 H 5.650 -0.347 4.008 1.00 . A A . 5 GLN HG3 1 1
2 285 1 1 5 GLN N N 4.978 1.167 1.796 1.00 . A A . 5 GLN N 1 1
2 286 1 1 5 GLN NE2 N 3.953 -1.261 5.676 1.00 . A A . 5 GLN NE2 1 1
2 287 1 1 5 GLN O O 4.687 -0.851 -0.576 1.00 . A A . 5 GLN O 1 1
2 288 1 1 5 GLN OE1 O 3.498 -2.760 4.155 1.00 . A A . 5 GLN OE1 1 1
2 289 1 1 6 ASP C C 6.777 -1.675 -2.488 1.00 . A A . 6 ASP C 1 1
2 290 1 1 6 ASP CA C 6.779 -0.185 -2.153 1.00 . A A . 6 ASP CA 1 1
2 291 1 1 6 ASP CB C 8.111 0.438 -2.562 1.00 . A A . 6 ASP CB 1 1
2 292 1 1 6 ASP CG C 8.004 1.962 -2.516 1.00 . A A . 6 ASP CG 1 1
2 293 1 1 6 ASP H H 7.447 0.403 -0.187 1.00 . A A . 6 ASP H 1 1
2 294 1 1 6 ASP HA H 5.964 0.319 -2.647 1.00 . A A . 6 ASP HA 1 1
2 295 1 1 6 ASP HB2 H 8.882 0.107 -1.882 1.00 . A A . 6 ASP HB2 1 1
2 296 1 1 6 ASP HB3 H 8.358 0.126 -3.566 1.00 . A A . 6 ASP HB3 1 1
2 297 1 1 6 ASP N N 6.700 0.007 -0.675 1.00 . A A . 6 ASP N 1 1
2 298 1 1 6 ASP O O 6.429 -2.080 -3.579 1.00 . A A . 6 ASP O 1 1
2 299 1 1 6 ASP OD1 O 7.617 2.478 -1.481 1.00 . A A . 6 ASP OD1 1 1
2 300 1 1 6 ASP OD2 O 8.313 2.589 -3.516 1.00 . A A . 6 ASP OD2 1 1
2 301 1 1 7 TRP C C 6.144 -4.648 -0.935 1.00 . A A . 7 TRP C 1 1
2 302 1 1 7 TRP CA C 7.195 -3.957 -1.797 1.00 . A A . 7 TRP CA 1 1
2 303 1 1 7 TRP CB C 8.602 -4.417 -1.397 1.00 . A A . 7 TRP CB 1 1
2 304 1 1 7 TRP CD1 C 10.034 -2.678 -0.260 1.00 . A A . 7 TRP CD1 1 1
2 305 1 1 7 TRP CD2 C 8.688 -3.747 1.185 1.00 . A A . 7 TRP CD2 1 1
2 306 1 1 7 TRP CE2 C 9.432 -2.810 1.940 1.00 . A A . 7 TRP CE2 1 1
2 307 1 1 7 TRP CE3 C 7.759 -4.555 1.860 1.00 . A A . 7 TRP CE3 1 1
2 308 1 1 7 TRP CG C 9.094 -3.643 -0.211 1.00 . A A . 7 TRP CG 1 1
2 309 1 1 7 TRP CH2 C 8.332 -3.491 3.975 1.00 . A A . 7 TRP CH2 1 1
2 310 1 1 7 TRP CZ2 C 9.260 -2.680 3.318 1.00 . A A . 7 TRP CZ2 1 1
2 311 1 1 7 TRP CZ3 C 7.582 -4.427 3.248 1.00 . A A . 7 TRP CZ3 1 1
2 312 1 1 7 TRP H H 7.441 -2.134 -0.683 1.00 . A A . 7 TRP H 1 1
2 313 1 1 7 TRP HA H 7.024 -4.168 -2.841 1.00 . A A . 7 TRP HA 1 1
2 314 1 1 7 TRP HB2 H 8.576 -5.466 -1.149 1.00 . A A . 7 TRP HB2 1 1
2 315 1 1 7 TRP HB3 H 9.275 -4.262 -2.225 1.00 . A A . 7 TRP HB3 1 1
2 316 1 1 7 TRP HD1 H 10.541 -2.350 -1.148 1.00 . A A . 7 TRP HD1 1 1
2 317 1 1 7 TRP HE1 H 10.874 -1.474 1.251 1.00 . A A . 7 TRP HE1 1 1
2 318 1 1 7 TRP HE3 H 7.178 -5.274 1.307 1.00 . A A . 7 TRP HE3 1 1
2 319 1 1 7 TRP HH2 H 8.192 -3.397 5.042 1.00 . A A . 7 TRP HH2 1 1
2 320 1 1 7 TRP HZ2 H 9.840 -1.957 3.873 1.00 . A A . 7 TRP HZ2 1 1
2 321 1 1 7 TRP HZ3 H 6.865 -5.054 3.759 1.00 . A A . 7 TRP HZ3 1 1
2 322 1 1 7 TRP N N 7.167 -2.488 -1.552 1.00 . A A . 7 TRP N 1 1
2 323 1 1 7 TRP NE1 N 10.239 -2.183 1.014 1.00 . A A . 7 TRP NE1 1 1
2 324 1 1 7 TRP O O 5.746 -5.765 -1.194 1.00 . A A . 7 TRP O 1 1
2 325 1 1 8 GLY C C 3.268 -4.198 0.504 1.00 . A A . 8 GLY C 1 1
2 326 1 1 8 GLY CA C 4.669 -4.606 0.974 1.00 . A A . 8 GLY CA 1 1
2 327 1 1 8 GLY H H 6.030 -3.091 0.285 1.00 . A A . 8 GLY H 1 1
2 328 1 1 8 GLY HA2 H 4.768 -5.681 0.935 1.00 . A A . 8 GLY HA2 1 1
2 329 1 1 8 GLY HA3 H 4.822 -4.264 1.986 1.00 . A A . 8 GLY HA3 1 1
2 330 1 1 8 GLY N N 5.693 -3.990 0.093 1.00 . A A . 8 GLY N 1 1
2 331 1 1 8 GLY O O 2.502 -3.613 1.245 1.00 . A A . 8 GLY O 1 1
2 332 1 1 9 HIS C C 0.518 -5.120 -0.751 1.00 . A A . 9 HIS C 1 1
2 333 1 1 9 HIS CA C 1.576 -4.123 -1.236 1.00 . A A . 9 HIS CA 1 1
2 334 1 1 9 HIS CB C 1.704 -4.186 -2.759 1.00 . A A . 9 HIS CB 1 1
2 335 1 1 9 HIS CD2 C 2.954 -1.878 -2.616 1.00 . A A . 9 HIS CD2 1 1
2 336 1 1 9 HIS CE1 C 3.626 -1.756 -4.672 1.00 . A A . 9 HIS CE1 1 1
2 337 1 1 9 HIS CG C 2.505 -3.011 -3.248 1.00 . A A . 9 HIS CG 1 1
2 338 1 1 9 HIS H H 3.558 -4.968 -1.305 1.00 . A A . 9 HIS H 1 1
2 339 1 1 9 HIS HA H 1.321 -3.121 -0.930 1.00 . A A . 9 HIS HA 1 1
2 340 1 1 9 HIS HB2 H 2.205 -5.104 -3.038 1.00 . A A . 9 HIS HB2 1 1
2 341 1 1 9 HIS HB3 H 0.720 -4.160 -3.204 1.00 . A A . 9 HIS HB3 1 1
2 342 1 1 9 HIS HD1 H 2.792 -3.565 -5.273 1.00 . A A . 9 HIS HD1 1 1
2 343 1 1 9 HIS HD2 H 2.784 -1.638 -1.576 1.00 . A A . 9 HIS HD2 1 1
2 344 1 1 9 HIS HE1 H 4.085 -1.411 -5.586 1.00 . A A . 9 HIS HE1 1 1
2 345 1 1 9 HIS N N 2.926 -4.498 -0.721 1.00 . A A . 9 HIS N 1 1
2 346 1 1 9 HIS ND1 N 2.947 -2.912 -4.559 1.00 . A A . 9 HIS ND1 1 1
2 347 1 1 9 HIS NE2 N 3.661 -1.087 -3.516 1.00 . A A . 9 HIS NE2 1 1
2 348 1 1 9 HIS O O 0.659 -6.316 -0.911 1.00 . A A . 9 HIS O 1 1
2 349 1 1 10 HIS C C -2.784 -5.580 -0.651 1.00 . A A . 10 HIS C 1 1
2 350 1 1 10 HIS CA C -1.609 -5.555 0.334 1.00 . A A . 10 HIS CA 1 1
2 351 1 1 10 HIS CB C -2.043 -4.969 1.679 1.00 . A A . 10 HIS CB 1 1
2 352 1 1 10 HIS CD2 C 0.115 -4.195 2.961 1.00 . A A . 10 HIS CD2 1 1
2 353 1 1 10 HIS CE1 C 0.370 -5.934 4.226 1.00 . A A . 10 HIS CE1 1 1
2 354 1 1 10 HIS CG C -0.906 -5.061 2.657 1.00 . A A . 10 HIS CG 1 1
2 355 1 1 10 HIS H H -0.637 -3.667 -0.043 1.00 . A A . 10 HIS H 1 1
2 356 1 1 10 HIS HA H -1.215 -6.548 0.475 1.00 . A A . 10 HIS HA 1 1
2 357 1 1 10 HIS HB2 H -2.322 -3.932 1.547 1.00 . A A . 10 HIS HB2 1 1
2 358 1 1 10 HIS HB3 H -2.890 -5.522 2.058 1.00 . A A . 10 HIS HB3 1 1
2 359 1 1 10 HIS HD1 H -1.287 -6.965 3.504 1.00 . A A . 10 HIS HD1 1 1
2 360 1 1 10 HIS HD2 H 0.269 -3.230 2.500 1.00 . A A . 10 HIS HD2 1 1
2 361 1 1 10 HIS HE1 H 0.757 -6.626 4.960 1.00 . A A . 10 HIS HE1 1 1
2 362 1 1 10 HIS N N -0.542 -4.635 -0.159 1.00 . A A . 10 HIS N 1 1
2 363 1 1 10 HIS ND1 N -0.724 -6.163 3.476 1.00 . A A . 10 HIS ND1 1 1
2 364 1 1 10 HIS NE2 N 0.921 -4.749 3.951 1.00 . A A . 10 HIS NE2 1 1
2 365 1 1 10 HIS O O -2.802 -6.350 -1.590 1.00 . A A . 10 HIS O 1 1
2 366 1 1 11 ARG C C -5.933 -3.649 -0.907 1.00 . A A . 11 ARG C 1 1
2 367 1 1 11 ARG CA C -4.939 -4.718 -1.361 1.00 . A A . 11 ARG CA 1 1
2 368 1 1 11 ARG CB C -5.563 -6.110 -1.250 1.00 . A A . 11 ARG CB 1 1
2 369 1 1 11 ARG CD C -5.432 -7.683 0.687 1.00 . A A . 11 ARG CD 1 1
2 370 1 1 11 ARG CG C -6.007 -6.354 0.193 1.00 . A A . 11 ARG CG 1 1
2 371 1 1 11 ARG CZ C -5.830 -6.906 2.943 1.00 . A A . 11 ARG CZ 1 1
2 372 1 1 11 ARG H H -3.732 -4.131 0.322 1.00 . A A . 11 ARG H 1 1
2 373 1 1 11 ARG HA H -4.621 -4.534 -2.375 1.00 . A A . 11 ARG HA 1 1
2 374 1 1 11 ARG HB2 H -6.418 -6.174 -1.907 1.00 . A A . 11 ARG HB2 1 1
2 375 1 1 11 ARG HB3 H -4.836 -6.856 -1.532 1.00 . A A . 11 ARG HB3 1 1
2 376 1 1 11 ARG HD2 H -5.755 -8.492 0.046 1.00 . A A . 11 ARG HD2 1 1
2 377 1 1 11 ARG HD3 H -4.355 -7.637 0.725 1.00 . A A . 11 ARG HD3 1 1
2 378 1 1 11 ARG HE H -6.462 -8.674 2.297 1.00 . A A . 11 ARG HE 1 1
2 379 1 1 11 ARG HG2 H -5.650 -5.550 0.820 1.00 . A A . 11 ARG HG2 1 1
2 380 1 1 11 ARG HG3 H -7.086 -6.392 0.236 1.00 . A A . 11 ARG HG3 1 1
2 381 1 1 11 ARG HH11 H -4.011 -7.519 3.507 1.00 . A A . 11 ARG HH11 1 1
2 382 1 1 11 ARG HH12 H -4.615 -6.118 4.326 1.00 . A A . 11 ARG HH12 1 1
2 383 1 1 11 ARG HH21 H -7.611 -6.066 2.571 1.00 . A A . 11 ARG HH21 1 1
2 384 1 1 11 ARG HH22 H -6.654 -5.293 3.799 1.00 . A A . 11 ARG HH22 1 1
2 385 1 1 11 ARG N N -3.765 -4.744 -0.441 1.00 . A A . 11 ARG N 1 1
2 386 1 1 11 ARG NE N -5.984 -7.853 2.058 1.00 . A A . 11 ARG NE 1 1
2 387 1 1 11 ARG NH1 N -4.733 -6.843 3.647 1.00 . A A . 11 ARG NH1 1 1
2 388 1 1 11 ARG NH2 N -6.771 -6.019 3.118 1.00 . A A . 11 ARG NH2 1 1
2 389 1 1 11 ARG O O -6.897 -3.935 -0.227 1.00 . A A . 11 ARG O 1 1
2 390 1 1 12 CYS C C -7.981 -1.482 -1.587 1.00 . A A . 12 CYS C 1 1
2 391 1 1 12 CYS CA C -6.641 -1.334 -0.859 1.00 . A A . 12 CYS CA 1 1
2 392 1 1 12 CYS CB C -5.950 -0.033 -1.270 1.00 . A A . 12 CYS CB 1 1
2 393 1 1 12 CYS H H -4.922 -2.206 -1.823 1.00 . A A . 12 CYS H 1 1
2 394 1 1 12 CYS HA H -6.786 -1.353 0.210 1.00 . A A . 12 CYS HA 1 1
2 395 1 1 12 CYS HB2 H -5.633 -0.103 -2.301 1.00 . A A . 12 CYS HB2 1 1
2 396 1 1 12 CYS HB3 H -6.642 0.789 -1.159 1.00 . A A . 12 CYS HB3 1 1
2 397 1 1 12 CYS N N -5.707 -2.418 -1.275 1.00 . A A . 12 CYS N 1 1
2 398 1 1 12 CYS O O -8.984 -0.927 -1.183 1.00 . A A . 12 CYS O 1 1
2 399 1 1 12 CYS SG S -4.508 0.249 -0.212 1.00 . A A . 12 CYS SG 1 1
2 400 1 1 13 THR C C -9.363 -3.842 -3.952 1.00 . A A . 13 THR C 1 1
2 401 1 1 13 THR CA C -9.273 -2.409 -3.418 1.00 . A A . 13 THR CA 1 1
2 402 1 1 13 THR CB C -9.190 -1.408 -4.572 1.00 . A A . 13 THR CB 1 1
2 403 1 1 13 THR CG2 C -10.467 -1.478 -5.412 1.00 . A A . 13 THR CG2 1 1
2 404 1 1 13 THR H H -7.182 -2.661 -2.968 1.00 . A A . 13 THR H 1 1
2 405 1 1 13 THR HA H -10.124 -2.183 -2.795 1.00 . A A . 13 THR HA 1 1
2 406 1 1 13 THR HB H -8.340 -1.648 -5.195 1.00 . A A . 13 THR HB 1 1
2 407 1 1 13 THR HG1 H -9.678 0.017 -3.343 1.00 . A A . 13 THR HG1 1 1
2 408 1 1 13 THR HG21 H -11.329 -1.414 -4.765 1.00 . A A . 13 THR HG21 1 1
2 409 1 1 13 THR HG22 H -10.482 -0.656 -6.112 1.00 . A A . 13 THR HG22 1 1
2 410 1 1 13 THR HG23 H -10.490 -2.412 -5.955 1.00 . A A . 13 THR HG23 1 1
2 411 1 1 13 THR N N -8.003 -2.224 -2.659 1.00 . A A . 13 THR N 1 1
2 412 1 1 13 THR O O -9.274 -4.072 -5.142 1.00 . A A . 13 THR O 1 1
2 413 1 1 13 THR OG1 O -9.036 -0.098 -4.046 1.00 . A A . 13 THR OG1 1 1
2 414 1 1 14 NH2 HN1 H -9.607 -4.644 -2.147 1.00 . A A . 14 NH2 HN1 1 1
2 415 1 1 14 NH2 HN2 H -9.590 -5.752 -3.444 1.00 . A A . 14 NH2 HN2 1 1
2 416 1 1 14 NH2 N N -9.535 -4.827 -3.112 1.00 . A A . 14 NH2 N 1 1
3 417 1 1 1 ILE C C -3.959 5.516 -0.305 1.00 . A A . 1 ILE C 1 1
3 418 1 1 1 ILE CA C -4.984 6.235 -1.190 1.00 . A A . 1 ILE CA 1 1
3 419 1 1 1 ILE CB C -6.395 6.234 -0.572 1.00 . A A . 1 ILE CB 1 1
3 420 1 1 1 ILE CD1 C -8.544 7.507 -0.626 1.00 . A A . 1 ILE CD1 1 1
3 421 1 1 1 ILE CG1 C -7.027 7.611 -0.783 1.00 . A A . 1 ILE CG1 1 1
3 422 1 1 1 ILE CG2 C -6.341 5.931 0.933 1.00 . A A . 1 ILE CG2 1 1
3 423 1 1 1 ILE H1 H -4.211 5.112 -2.763 1.00 . A A . 1 ILE H1 1 1
3 424 1 1 1 ILE H2 H -5.814 4.729 -2.363 1.00 . A A . 1 ILE H2 1 1
3 425 1 1 1 ILE H3 H -5.471 6.158 -3.213 1.00 . A A . 1 ILE H3 1 1
3 426 1 1 1 ILE HA H -4.667 7.246 -1.376 1.00 . A A . 1 ILE HA 1 1
3 427 1 1 1 ILE HB H -6.998 5.487 -1.065 1.00 . A A . 1 ILE HB 1 1
3 428 1 1 1 ILE HD11 H -8.779 7.080 0.339 1.00 . A A . 1 ILE HD11 1 1
3 429 1 1 1 ILE HD12 H -8.983 8.493 -0.701 1.00 . A A . 1 ILE HD12 1 1
3 430 1 1 1 ILE HD13 H -8.944 6.876 -1.405 1.00 . A A . 1 ILE HD13 1 1
3 431 1 1 1 ILE HG12 H -6.635 8.306 -0.053 1.00 . A A . 1 ILE HG12 1 1
3 432 1 1 1 ILE HG13 H -6.795 7.965 -1.775 1.00 . A A . 1 ILE HG13 1 1
3 433 1 1 1 ILE HG21 H -5.836 4.991 1.092 1.00 . A A . 1 ILE HG21 1 1
3 434 1 1 1 ILE HG22 H -5.806 6.719 1.443 1.00 . A A . 1 ILE HG22 1 1
3 435 1 1 1 ILE HG23 H -7.348 5.868 1.321 1.00 . A A . 1 ILE HG23 1 1
3 436 1 1 1 ILE N N -5.132 5.503 -2.479 1.00 . A A . 1 ILE N 1 1
3 437 1 1 1 ILE O O -3.180 6.139 0.388 1.00 . A A . 1 ILE O 1 1
3 438 1 1 2 CYS C C -1.846 2.907 -0.377 1.00 . A A . 2 CYS C 1 1
3 439 1 1 2 CYS CA C -2.962 3.469 0.505 1.00 . A A . 2 CYS CA 1 1
3 440 1 1 2 CYS CB C -3.755 2.343 1.168 1.00 . A A . 2 CYS CB 1 1
3 441 1 1 2 CYS H H -4.578 3.729 -0.900 1.00 . A A . 2 CYS H 1 1
3 442 1 1 2 CYS HA H -2.550 4.119 1.262 1.00 . A A . 2 CYS HA 1 1
3 443 1 1 2 CYS HB2 H -3.090 1.746 1.773 1.00 . A A . 2 CYS HB2 1 1
3 444 1 1 2 CYS HB3 H -4.526 2.767 1.794 1.00 . A A . 2 CYS HB3 1 1
3 445 1 1 2 CYS N N -3.948 4.215 -0.330 1.00 . A A . 2 CYS N 1 1
3 446 1 1 2 CYS O O -2.069 2.067 -1.226 1.00 . A A . 2 CYS O 1 1
3 447 1 1 2 CYS SG S -4.514 1.301 -0.099 1.00 . A A . 2 CYS SG 1 1
3 448 1 1 3 VAL C C 1.607 2.356 -0.104 1.00 . A A . 3 VAL C 1 1
3 449 1 1 3 VAL CA C 0.500 2.890 -1.006 1.00 . A A . 3 VAL CA 1 1
3 450 1 1 3 VAL CB C 0.939 4.139 -1.777 1.00 . A A . 3 VAL CB 1 1
3 451 1 1 3 VAL CG1 C 2.448 4.401 -1.626 1.00 . A A . 3 VAL CG1 1 1
3 452 1 1 3 VAL CG2 C 0.594 3.963 -3.257 1.00 . A A . 3 VAL CG2 1 1
3 453 1 1 3 VAL H H -0.495 4.059 0.506 1.00 . A A . 3 VAL H 1 1
3 454 1 1 3 VAL HA H 0.174 2.129 -1.683 1.00 . A A . 3 VAL HA 1 1
3 455 1 1 3 VAL HB H 0.396 4.979 -1.379 1.00 . A A . 3 VAL HB 1 1
3 456 1 1 3 VAL HG11 H 2.696 4.475 -0.577 1.00 . A A . 3 VAL HG11 1 1
3 457 1 1 3 VAL HG12 H 3.004 3.588 -2.069 1.00 . A A . 3 VAL HG12 1 1
3 458 1 1 3 VAL HG13 H 2.705 5.325 -2.122 1.00 . A A . 3 VAL HG13 1 1
3 459 1 1 3 VAL HG21 H -0.331 3.411 -3.349 1.00 . A A . 3 VAL HG21 1 1
3 460 1 1 3 VAL HG22 H 0.480 4.933 -3.718 1.00 . A A . 3 VAL HG22 1 1
3 461 1 1 3 VAL HG23 H 1.389 3.420 -3.750 1.00 . A A . 3 VAL HG23 1 1
3 462 1 1 3 VAL N N -0.645 3.376 -0.183 1.00 . A A . 3 VAL N 1 1
3 463 1 1 3 VAL O O 2.708 2.086 -0.542 1.00 . A A . 3 VAL O 1 1
3 464 1 1 4 VAL C C 3.230 0.685 1.479 1.00 . A A . 4 VAL C 1 1
3 465 1 1 4 VAL CA C 2.310 1.713 2.135 1.00 . A A . 4 VAL CA 1 1
3 466 1 1 4 VAL CB C 1.509 1.098 3.305 1.00 . A A . 4 VAL CB 1 1
3 467 1 1 4 VAL CG1 C 0.123 0.635 2.834 1.00 . A A . 4 VAL CG1 1 1
3 468 1 1 4 VAL CG2 C 2.258 -0.103 3.902 1.00 . A A . 4 VAL CG2 1 1
3 469 1 1 4 VAL H H 0.405 2.469 1.434 1.00 . A A . 4 VAL H 1 1
3 470 1 1 4 VAL HA H 2.900 2.539 2.502 1.00 . A A . 4 VAL HA 1 1
3 471 1 1 4 VAL HB H 1.391 1.850 4.067 1.00 . A A . 4 VAL HB 1 1
3 472 1 1 4 VAL HG11 H 0.185 0.287 1.814 1.00 . A A . 4 VAL HG11 1 1
3 473 1 1 4 VAL HG12 H -0.222 -0.169 3.467 1.00 . A A . 4 VAL HG12 1 1
3 474 1 1 4 VAL HG13 H -0.573 1.460 2.892 1.00 . A A . 4 VAL HG13 1 1
3 475 1 1 4 VAL HG21 H 3.247 0.204 4.205 1.00 . A A . 4 VAL HG21 1 1
3 476 1 1 4 VAL HG22 H 1.719 -0.473 4.761 1.00 . A A . 4 VAL HG22 1 1
3 477 1 1 4 VAL HG23 H 2.336 -0.886 3.161 1.00 . A A . 4 VAL HG23 1 1
3 478 1 1 4 VAL N N 1.303 2.222 1.146 1.00 . A A . 4 VAL N 1 1
3 479 1 1 4 VAL O O 2.858 0.007 0.543 1.00 . A A . 4 VAL O 1 1
3 480 1 1 5 GLN C C 5.333 -0.296 -0.158 1.00 . A A . 5 GLN C 1 1
3 481 1 1 5 GLN CA C 5.428 -0.347 1.363 1.00 . A A . 5 GLN CA 1 1
3 482 1 1 5 GLN CB C 5.077 -1.734 1.888 1.00 . A A . 5 GLN CB 1 1
3 483 1 1 5 GLN CD C 4.641 -3.058 3.966 1.00 . A A . 5 GLN CD 1 1
3 484 1 1 5 GLN CG C 5.223 -1.755 3.411 1.00 . A A . 5 GLN CG 1 1
3 485 1 1 5 GLN H H 4.706 1.181 2.695 1.00 . A A . 5 GLN H 1 1
3 486 1 1 5 GLN HA H 6.423 -0.079 1.680 1.00 . A A . 5 GLN HA 1 1
3 487 1 1 5 GLN HB2 H 4.066 -1.981 1.611 1.00 . A A . 5 GLN HB2 1 1
3 488 1 1 5 GLN HB3 H 5.757 -2.451 1.458 1.00 . A A . 5 GLN HB3 1 1
3 489 1 1 5 GLN HE21 H 6.072 -3.274 5.330 1.00 . A A . 5 GLN HE21 1 1
3 490 1 1 5 GLN HE22 H 4.884 -4.498 5.315 1.00 . A A . 5 GLN HE22 1 1
3 491 1 1 5 GLN HG2 H 6.269 -1.690 3.672 1.00 . A A . 5 GLN HG2 1 1
3 492 1 1 5 GLN HG3 H 4.693 -0.915 3.836 1.00 . A A . 5 GLN HG3 1 1
3 493 1 1 5 GLN N N 4.439 0.598 1.955 1.00 . A A . 5 GLN N 1 1
3 494 1 1 5 GLN NE2 N 5.249 -3.659 4.952 1.00 . A A . 5 GLN NE2 1 1
3 495 1 1 5 GLN O O 4.489 -0.913 -0.776 1.00 . A A . 5 GLN O 1 1
3 496 1 1 5 GLN OE1 O 3.626 -3.533 3.496 1.00 . A A . 5 GLN OE1 1 1
3 497 1 1 6 ASP C C 5.966 -0.779 -2.881 1.00 . A A . 6 ASP C 1 1
3 498 1 1 6 ASP CA C 6.202 0.587 -2.238 1.00 . A A . 6 ASP CA 1 1
3 499 1 1 6 ASP CB C 7.592 1.125 -2.588 1.00 . A A . 6 ASP CB 1 1
3 500 1 1 6 ASP CG C 7.529 2.646 -2.730 1.00 . A A . 6 ASP CG 1 1
3 501 1 1 6 ASP H H 6.864 0.927 -0.214 1.00 . A A . 6 ASP H 1 1
3 502 1 1 6 ASP HA H 5.444 1.290 -2.552 1.00 . A A . 6 ASP HA 1 1
3 503 1 1 6 ASP HB2 H 8.286 0.866 -1.800 1.00 . A A . 6 ASP HB2 1 1
3 504 1 1 6 ASP HB3 H 7.925 0.692 -3.519 1.00 . A A . 6 ASP HB3 1 1
3 505 1 1 6 ASP N N 6.204 0.453 -0.753 1.00 . A A . 6 ASP N 1 1
3 506 1 1 6 ASP O O 5.428 -0.887 -3.966 1.00 . A A . 6 ASP O 1 1
3 507 1 1 6 ASP OD1 O 7.168 3.106 -3.801 1.00 . A A . 6 ASP OD1 1 1
3 508 1 1 6 ASP OD2 O 7.841 3.326 -1.767 1.00 . A A . 6 ASP OD2 1 1
3 509 1 1 7 TRP C C 5.356 -4.033 -1.776 1.00 . A A . 7 TRP C 1 1
3 510 1 1 7 TRP CA C 6.185 -3.193 -2.747 1.00 . A A . 7 TRP CA 1 1
3 511 1 1 7 TRP CB C 7.598 -3.763 -2.849 1.00 . A A . 7 TRP CB 1 1
3 512 1 1 7 TRP CD1 C 9.432 -2.478 -1.682 1.00 . A A . 7 TRP CD1 1 1
3 513 1 1 7 TRP CD2 C 8.273 -3.783 -0.267 1.00 . A A . 7 TRP CD2 1 1
3 514 1 1 7 TRP CE2 C 9.267 -3.130 0.501 1.00 . A A . 7 TRP CE2 1 1
3 515 1 1 7 TRP CE3 C 7.400 -4.666 0.394 1.00 . A A . 7 TRP CE3 1 1
3 516 1 1 7 TRP CG C 8.405 -3.354 -1.654 1.00 . A A . 7 TRP CG 1 1
3 517 1 1 7 TRP CH2 C 8.516 -4.230 2.514 1.00 . A A . 7 TRP CH2 1 1
3 518 1 1 7 TRP CZ2 C 9.390 -3.348 1.873 1.00 . A A . 7 TRP CZ2 1 1
3 519 1 1 7 TRP CZ3 C 7.521 -4.887 1.776 1.00 . A A . 7 TRP CZ3 1 1
3 520 1 1 7 TRP H H 6.799 -1.693 -1.341 1.00 . A A . 7 TRP H 1 1
3 521 1 1 7 TRP HA H 5.724 -3.166 -3.722 1.00 . A A . 7 TRP HA 1 1
3 522 1 1 7 TRP HB2 H 7.545 -4.837 -2.892 1.00 . A A . 7 TRP HB2 1 1
3 523 1 1 7 TRP HB3 H 8.069 -3.387 -3.742 1.00 . A A . 7 TRP HB3 1 1
3 524 1 1 7 TRP HD1 H 9.793 -1.970 -2.558 1.00 . A A . 7 TRP HD1 1 1
3 525 1 1 7 TRP HE1 H 10.700 -1.777 -0.158 1.00 . A A . 7 TRP HE1 1 1
3 526 1 1 7 TRP HE3 H 6.627 -5.170 -0.165 1.00 . A A . 7 TRP HE3 1 1
3 527 1 1 7 TRP HH2 H 8.605 -4.404 3.577 1.00 . A A . 7 TRP HH2 1 1
3 528 1 1 7 TRP HZ2 H 10.158 -2.840 2.437 1.00 . A A . 7 TRP HZ2 1 1
3 529 1 1 7 TRP HZ3 H 6.846 -5.569 2.272 1.00 . A A . 7 TRP HZ3 1 1
3 530 1 1 7 TRP N N 6.368 -1.817 -2.208 1.00 . A A . 7 TRP N 1 1
3 531 1 1 7 TRP NE1 N 9.947 -2.348 -0.406 1.00 . A A . 7 TRP NE1 1 1
3 532 1 1 7 TRP O O 4.888 -5.106 -2.103 1.00 . A A . 7 TRP O 1 1
3 533 1 1 8 GLY C C 2.913 -4.096 0.208 1.00 . A A . 8 GLY C 1 1
3 534 1 1 8 GLY CA C 4.409 -4.317 0.431 1.00 . A A . 8 GLY CA 1 1
3 535 1 1 8 GLY H H 5.588 -2.696 -0.347 1.00 . A A . 8 GLY H 1 1
3 536 1 1 8 GLY HA2 H 4.639 -5.369 0.341 1.00 . A A . 8 GLY HA2 1 1
3 537 1 1 8 GLY HA3 H 4.676 -3.976 1.418 1.00 . A A . 8 GLY HA3 1 1
3 538 1 1 8 GLY N N 5.189 -3.554 -0.581 1.00 . A A . 8 GLY N 1 1
3 539 1 1 8 GLY O O 2.202 -3.670 1.096 1.00 . A A . 8 GLY O 1 1
3 540 1 1 9 HIS C C 0.191 -5.387 -0.645 1.00 . A A . 9 HIS C 1 1
3 541 1 1 9 HIS CA C 0.971 -4.206 -1.234 1.00 . A A . 9 HIS CA 1 1
3 542 1 1 9 HIS CB C 0.845 -4.173 -2.760 1.00 . A A . 9 HIS CB 1 1
3 543 1 1 9 HIS CD2 C 1.728 -1.700 -2.657 1.00 . A A . 9 HIS CD2 1 1
3 544 1 1 9 HIS CE1 C 1.186 -1.084 -4.662 1.00 . A A . 9 HIS CE1 1 1
3 545 1 1 9 HIS CG C 1.135 -2.782 -3.258 1.00 . A A . 9 HIS CG 1 1
3 546 1 1 9 HIS H H 3.018 -4.737 -1.667 1.00 . A A . 9 HIS H 1 1
3 547 1 1 9 HIS HA H 0.624 -3.275 -0.813 1.00 . A A . 9 HIS HA 1 1
3 548 1 1 9 HIS HB2 H 1.552 -4.868 -3.197 1.00 . A A . 9 HIS HB2 1 1
3 549 1 1 9 HIS HB3 H -0.159 -4.453 -3.044 1.00 . A A . 9 HIS HB3 1 1
3 550 1 1 9 HIS HD1 H 0.359 -2.908 -5.224 1.00 . A A . 9 HIS HD1 1 1
3 551 1 1 9 HIS HD2 H 2.117 -1.686 -1.649 1.00 . A A . 9 HIS HD2 1 1
3 552 1 1 9 HIS HE1 H 1.055 -0.496 -5.559 1.00 . A A . 9 HIS HE1 1 1
3 553 1 1 9 HIS N N 2.427 -4.391 -0.965 1.00 . A A . 9 HIS N 1 1
3 554 1 1 9 HIS ND1 N 0.799 -2.366 -4.536 1.00 . A A . 9 HIS ND1 1 1
3 555 1 1 9 HIS NE2 N 1.759 -0.628 -3.544 1.00 . A A . 9 HIS NE2 1 1
3 556 1 1 9 HIS O O 0.070 -6.429 -1.256 1.00 . A A . 9 HIS O 1 1
3 557 1 1 10 HIS C C -2.562 -6.295 0.910 1.00 . A A . 10 HIS C 1 1
3 558 1 1 10 HIS CA C -1.057 -6.364 1.196 1.00 . A A . 10 HIS CA 1 1
3 559 1 1 10 HIS CB C -0.794 -6.196 2.692 1.00 . A A . 10 HIS CB 1 1
3 560 1 1 10 HIS CD2 C 0.738 -8.329 2.597 1.00 . A A . 10 HIS CD2 1 1
3 561 1 1 10 HIS CE1 C 0.614 -8.900 4.684 1.00 . A A . 10 HIS CE1 1 1
3 562 1 1 10 HIS CG C -0.071 -7.409 3.214 1.00 . A A . 10 HIS CG 1 1
3 563 1 1 10 HIS H H -0.187 -4.398 1.037 1.00 . A A . 10 HIS H 1 1
3 564 1 1 10 HIS HA H -0.663 -7.305 0.865 1.00 . A A . 10 HIS HA 1 1
3 565 1 1 10 HIS HB2 H -0.185 -5.317 2.853 1.00 . A A . 10 HIS HB2 1 1
3 566 1 1 10 HIS HB3 H -1.733 -6.084 3.212 1.00 . A A . 10 HIS HB3 1 1
3 567 1 1 10 HIS HD1 H -0.639 -7.340 5.255 1.00 . A A . 10 HIS HD1 1 1
3 568 1 1 10 HIS HD2 H 0.999 -8.325 1.550 1.00 . A A . 10 HIS HD2 1 1
3 569 1 1 10 HIS HE1 H 0.752 -9.425 5.618 1.00 . A A . 10 HIS HE1 1 1
3 570 1 1 10 HIS N N -0.314 -5.239 0.552 1.00 . A A . 10 HIS N 1 1
3 571 1 1 10 HIS ND1 N -0.135 -7.792 4.545 1.00 . A A . 10 HIS ND1 1 1
3 572 1 1 10 HIS NE2 N 1.170 -9.270 3.526 1.00 . A A . 10 HIS NE2 1 1
3 573 1 1 10 HIS O O -3.143 -7.227 0.388 1.00 . A A . 10 HIS O 1 1
3 574 1 1 11 ARG C C -5.079 -3.703 0.635 1.00 . A A . 11 ARG C 1 1
3 575 1 1 11 ARG CA C -4.672 -5.124 1.024 1.00 . A A . 11 ARG CA 1 1
3 576 1 1 11 ARG CB C -5.313 -5.524 2.353 1.00 . A A . 11 ARG CB 1 1
3 577 1 1 11 ARG CD C -4.220 -5.351 4.590 1.00 . A A . 11 ARG CD 1 1
3 578 1 1 11 ARG CG C -4.868 -4.559 3.452 1.00 . A A . 11 ARG CG 1 1
3 579 1 1 11 ARG CZ C -5.348 -5.580 6.719 1.00 . A A . 11 ARG CZ 1 1
3 580 1 1 11 ARG H H -2.724 -4.482 1.692 1.00 . A A . 11 ARG H 1 1
3 581 1 1 11 ARG HA H -4.970 -5.818 0.255 1.00 . A A . 11 ARG HA 1 1
3 582 1 1 11 ARG HB2 H -6.390 -5.493 2.260 1.00 . A A . 11 ARG HB2 1 1
3 583 1 1 11 ARG HB3 H -5.003 -6.527 2.612 1.00 . A A . 11 ARG HB3 1 1
3 584 1 1 11 ARG HD2 H -4.457 -6.402 4.498 1.00 . A A . 11 ARG HD2 1 1
3 585 1 1 11 ARG HD3 H -3.150 -5.204 4.592 1.00 . A A . 11 ARG HD3 1 1
3 586 1 1 11 ARG HE H -4.807 -3.819 5.982 1.00 . A A . 11 ARG HE 1 1
3 587 1 1 11 ARG HG2 H -4.154 -3.857 3.047 1.00 . A A . 11 ARG HG2 1 1
3 588 1 1 11 ARG HG3 H -5.724 -4.026 3.831 1.00 . A A . 11 ARG HG3 1 1
3 589 1 1 11 ARG HH11 H -7.088 -5.747 5.741 1.00 . A A . 11 ARG HH11 1 1
3 590 1 1 11 ARG HH12 H -6.975 -6.629 7.228 1.00 . A A . 11 ARG HH12 1 1
3 591 1 1 11 ARG HH21 H -3.727 -5.595 7.898 1.00 . A A . 11 ARG HH21 1 1
3 592 1 1 11 ARG HH22 H -5.071 -6.543 8.456 1.00 . A A . 11 ARG HH22 1 1
3 593 1 1 11 ARG N N -3.202 -5.218 1.262 1.00 . A A . 11 ARG N 1 1
3 594 1 1 11 ARG NE N -4.814 -4.787 5.832 1.00 . A A . 11 ARG NE 1 1
3 595 1 1 11 ARG NH1 N -6.566 -6.021 6.550 1.00 . A A . 11 ARG NH1 1 1
3 596 1 1 11 ARG NH2 N -4.662 -5.934 7.772 1.00 . A A . 11 ARG NH2 1 1
3 597 1 1 11 ARG O O -5.485 -2.906 1.459 1.00 . A A . 11 ARG O 1 1
3 598 1 1 12 CYS C C -6.257 -2.150 -2.351 1.00 . A A . 12 CYS C 1 1
3 599 1 1 12 CYS CA C -5.370 -2.034 -1.107 1.00 . A A . 12 CYS CA 1 1
3 600 1 1 12 CYS CB C -4.049 -1.350 -1.447 1.00 . A A . 12 CYS CB 1 1
3 601 1 1 12 CYS H H -4.660 -4.055 -1.265 1.00 . A A . 12 CYS H 1 1
3 602 1 1 12 CYS HA H -5.879 -1.488 -0.330 1.00 . A A . 12 CYS HA 1 1
3 603 1 1 12 CYS HB2 H -3.316 -2.099 -1.712 1.00 . A A . 12 CYS HB2 1 1
3 604 1 1 12 CYS HB3 H -4.196 -0.676 -2.276 1.00 . A A . 12 CYS HB3 1 1
3 605 1 1 12 CYS N N -4.983 -3.390 -0.626 1.00 . A A . 12 CYS N 1 1
3 606 1 1 12 CYS O O -6.225 -3.139 -3.056 1.00 . A A . 12 CYS O 1 1
3 607 1 1 12 CYS SG S -3.467 -0.425 -0.008 1.00 . A A . 12 CYS SG 1 1
3 608 1 1 13 THR C C -7.341 -0.388 -4.962 1.00 . A A . 13 THR C 1 1
3 609 1 1 13 THR CA C -7.936 -1.216 -3.823 1.00 . A A . 13 THR CA 1 1
3 610 1 1 13 THR CB C -9.279 -0.636 -3.358 1.00 . A A . 13 THR CB 1 1
3 611 1 1 13 THR CG2 C -9.257 0.895 -3.438 1.00 . A A . 13 THR CG2 1 1
3 612 1 1 13 THR H H -7.068 -0.360 -2.047 1.00 . A A . 13 THR H 1 1
3 613 1 1 13 THR HA H -8.068 -2.240 -4.135 1.00 . A A . 13 THR HA 1 1
3 614 1 1 13 THR HB H -9.459 -0.932 -2.338 1.00 . A A . 13 THR HB 1 1
3 615 1 1 13 THR HG1 H -10.545 -2.016 -3.873 1.00 . A A . 13 THR HG1 1 1
3 616 1 1 13 THR HG21 H -8.319 1.264 -3.050 1.00 . A A . 13 THR HG21 1 1
3 617 1 1 13 THR HG22 H -9.368 1.203 -4.467 1.00 . A A . 13 THR HG22 1 1
3 618 1 1 13 THR HG23 H -10.071 1.297 -2.853 1.00 . A A . 13 THR HG23 1 1
3 619 1 1 13 THR N N -7.052 -1.151 -2.627 1.00 . A A . 13 THR N 1 1
3 620 1 1 13 THR O O -7.834 -0.407 -6.071 1.00 . A A . 13 THR O 1 1
3 621 1 1 13 THR OG1 O -10.319 -1.138 -4.185 1.00 . A A . 13 THR OG1 1 1
3 622 1 1 14 NH2 HN1 H -5.892 0.367 -3.829 1.00 . A A . 14 NH2 HN1 1 1
3 623 1 1 14 NH2 HN2 H -5.908 0.892 -5.450 1.00 . A A . 14 NH2 HN2 1 1
3 624 1 1 14 NH2 N N -6.293 0.352 -4.728 1.00 . A A . 14 NH2 N 1 1
4 625 1 1 1 ILE C C -3.671 5.477 0.566 1.00 . A A . 1 ILE C 1 1
4 626 1 1 1 ILE CA C -4.760 6.473 0.146 1.00 . A A . 1 ILE CA 1 1
4 627 1 1 1 ILE CB C -6.039 6.319 0.991 1.00 . A A . 1 ILE CB 1 1
4 628 1 1 1 ILE CD1 C -5.751 8.565 2.032 1.00 . A A . 1 ILE CD1 1 1
4 629 1 1 1 ILE CG1 C -6.677 7.696 1.180 1.00 . A A . 1 ILE CG1 1 1
4 630 1 1 1 ILE CG2 C -5.711 5.732 2.367 1.00 . A A . 1 ILE CG2 1 1
4 631 1 1 1 ILE H1 H -4.450 5.664 -1.749 1.00 . A A . 1 ILE H1 1 1
4 632 1 1 1 ILE H2 H -6.072 5.656 -1.253 1.00 . A A . 1 ILE H2 1 1
4 633 1 1 1 ILE H3 H -5.344 7.108 -1.748 1.00 . A A . 1 ILE H3 1 1
4 634 1 1 1 ILE HA H -4.388 7.480 0.231 1.00 . A A . 1 ILE HA 1 1
4 635 1 1 1 ILE HB H -6.734 5.670 0.480 1.00 . A A . 1 ILE HB 1 1
4 636 1 1 1 ILE HD11 H -4.732 8.226 1.915 1.00 . A A . 1 ILE HD11 1 1
4 637 1 1 1 ILE HD12 H -5.827 9.593 1.713 1.00 . A A . 1 ILE HD12 1 1
4 638 1 1 1 ILE HD13 H -6.039 8.485 3.070 1.00 . A A . 1 ILE HD13 1 1
4 639 1 1 1 ILE HG12 H -6.826 8.161 0.216 1.00 . A A . 1 ILE HG12 1 1
4 640 1 1 1 ILE HG13 H -7.628 7.588 1.679 1.00 . A A . 1 ILE HG13 1 1
4 641 1 1 1 ILE HG21 H -4.768 6.130 2.714 1.00 . A A . 1 ILE HG21 1 1
4 642 1 1 1 ILE HG22 H -6.492 5.995 3.065 1.00 . A A . 1 ILE HG22 1 1
4 643 1 1 1 ILE HG23 H -5.642 4.657 2.292 1.00 . A A . 1 ILE HG23 1 1
4 644 1 1 1 ILE N N -5.189 6.204 -1.256 1.00 . A A . 1 ILE N 1 1
4 645 1 1 1 ILE O O -2.767 5.810 1.308 1.00 . A A . 1 ILE O 1 1
4 646 1 1 2 CYS C C -1.592 3.247 -0.569 1.00 . A A . 2 CYS C 1 1
4 647 1 1 2 CYS CA C -2.707 3.263 0.475 1.00 . A A . 2 CYS CA 1 1
4 648 1 1 2 CYS CB C -3.427 1.917 0.511 1.00 . A A . 2 CYS CB 1 1
4 649 1 1 2 CYS H H -4.477 4.010 -0.502 1.00 . A A . 2 CYS H 1 1
4 650 1 1 2 CYS HA H -2.305 3.491 1.450 1.00 . A A . 2 CYS HA 1 1
4 651 1 1 2 CYS HB2 H -2.719 1.143 0.767 1.00 . A A . 2 CYS HB2 1 1
4 652 1 1 2 CYS HB3 H -4.210 1.949 1.252 1.00 . A A . 2 CYS HB3 1 1
4 653 1 1 2 CYS N N -3.745 4.262 0.098 1.00 . A A . 2 CYS N 1 1
4 654 1 1 2 CYS O O -1.792 2.863 -1.705 1.00 . A A . 2 CYS O 1 1
4 655 1 1 2 CYS SG S -4.142 1.568 -1.113 1.00 . A A . 2 CYS SG 1 1
4 656 1 1 3 VAL C C 2.028 3.423 -0.429 1.00 . A A . 3 VAL C 1 1
4 657 1 1 3 VAL CA C 0.716 3.693 -1.153 1.00 . A A . 3 VAL CA 1 1
4 658 1 1 3 VAL CB C 0.708 5.104 -1.722 1.00 . A A . 3 VAL CB 1 1
4 659 1 1 3 VAL CG1 C 2.016 5.361 -2.472 1.00 . A A . 3 VAL CG1 1 1
4 660 1 1 3 VAL CG2 C -0.477 5.267 -2.676 1.00 . A A . 3 VAL CG2 1 1
4 661 1 1 3 VAL H H -0.294 3.980 0.729 1.00 . A A . 3 VAL H 1 1
4 662 1 1 3 VAL HA H 0.564 2.972 -1.927 1.00 . A A . 3 VAL HA 1 1
4 663 1 1 3 VAL HB H 0.618 5.805 -0.907 1.00 . A A . 3 VAL HB 1 1
4 664 1 1 3 VAL HG11 H 2.253 4.507 -3.087 1.00 . A A . 3 VAL HG11 1 1
4 665 1 1 3 VAL HG12 H 1.908 6.237 -3.096 1.00 . A A . 3 VAL HG12 1 1
4 666 1 1 3 VAL HG13 H 2.812 5.523 -1.759 1.00 . A A . 3 VAL HG13 1 1
4 667 1 1 3 VAL HG21 H -0.620 4.352 -3.232 1.00 . A A . 3 VAL HG21 1 1
4 668 1 1 3 VAL HG22 H -1.368 5.486 -2.108 1.00 . A A . 3 VAL HG22 1 1
4 669 1 1 3 VAL HG23 H -0.280 6.078 -3.362 1.00 . A A . 3 VAL HG23 1 1
4 670 1 1 3 VAL N N -0.422 3.670 -0.191 1.00 . A A . 3 VAL N 1 1
4 671 1 1 3 VAL O O 3.104 3.593 -0.968 1.00 . A A . 3 VAL O 1 1
4 672 1 1 4 VAL C C 3.681 1.319 1.196 1.00 . A A . 4 VAL C 1 1
4 673 1 1 4 VAL CA C 3.167 2.700 1.567 1.00 . A A . 4 VAL CA 1 1
4 674 1 1 4 VAL CB C 2.738 2.740 3.033 1.00 . A A . 4 VAL CB 1 1
4 675 1 1 4 VAL CG1 C 1.938 1.482 3.380 1.00 . A A . 4 VAL CG1 1 1
4 676 1 1 4 VAL CG2 C 3.969 2.825 3.937 1.00 . A A . 4 VAL CG2 1 1
4 677 1 1 4 VAL H H 1.058 2.864 1.176 1.00 . A A . 4 VAL H 1 1
4 678 1 1 4 VAL HA H 3.922 3.446 1.381 1.00 . A A . 4 VAL HA 1 1
4 679 1 1 4 VAL HB H 2.128 3.603 3.190 1.00 . A A . 4 VAL HB 1 1
4 680 1 1 4 VAL HG11 H 2.517 0.606 3.134 1.00 . A A . 4 VAL HG11 1 1
4 681 1 1 4 VAL HG12 H 1.714 1.480 4.437 1.00 . A A . 4 VAL HG12 1 1
4 682 1 1 4 VAL HG13 H 1.015 1.476 2.818 1.00 . A A . 4 VAL HG13 1 1
4 683 1 1 4 VAL HG21 H 4.772 3.317 3.408 1.00 . A A . 4 VAL HG21 1 1
4 684 1 1 4 VAL HG22 H 3.724 3.388 4.824 1.00 . A A . 4 VAL HG22 1 1
4 685 1 1 4 VAL HG23 H 4.280 1.829 4.218 1.00 . A A . 4 VAL HG23 1 1
4 686 1 1 4 VAL N N 1.938 2.997 0.784 1.00 . A A . 4 VAL N 1 1
4 687 1 1 4 VAL O O 3.136 0.656 0.336 1.00 . A A . 4 VAL O 1 1
4 688 1 1 5 GLN C C 5.244 -0.697 0.021 1.00 . A A . 5 GLN C 1 1
4 689 1 1 5 GLN CA C 5.273 -0.463 1.529 1.00 . A A . 5 GLN CA 1 1
4 690 1 1 5 GLN CB C 4.335 -1.431 2.217 1.00 . A A . 5 GLN CB 1 1
4 691 1 1 5 GLN CD C 5.157 -0.381 4.331 1.00 . A A . 5 GLN CD 1 1
4 692 1 1 5 GLN CG C 4.820 -1.702 3.639 1.00 . A A . 5 GLN CG 1 1
4 693 1 1 5 GLN H H 5.126 1.438 2.531 1.00 . A A . 5 GLN H 1 1
4 694 1 1 5 GLN HA H 6.273 -0.567 1.920 1.00 . A A . 5 GLN HA 1 1
4 695 1 1 5 GLN HB2 H 3.347 -1.003 2.241 1.00 . A A . 5 GLN HB2 1 1
4 696 1 1 5 GLN HB3 H 4.318 -2.350 1.662 1.00 . A A . 5 GLN HB3 1 1
4 697 1 1 5 GLN HE21 H 3.879 -0.679 5.824 1.00 . A A . 5 GLN HE21 1 1
4 698 1 1 5 GLN HE22 H 4.761 0.778 5.896 1.00 . A A . 5 GLN HE22 1 1
4 699 1 1 5 GLN HG2 H 4.044 -2.209 4.192 1.00 . A A . 5 GLN HG2 1 1
4 700 1 1 5 GLN HG3 H 5.700 -2.320 3.605 1.00 . A A . 5 GLN HG3 1 1
4 701 1 1 5 GLN N N 4.718 0.882 1.840 1.00 . A A . 5 GLN N 1 1
4 702 1 1 5 GLN NE2 N 4.548 -0.066 5.441 1.00 . A A . 5 GLN NE2 1 1
4 703 1 1 5 GLN O O 4.828 -1.731 -0.457 1.00 . A A . 5 GLN O 1 1
4 704 1 1 5 GLN OE1 O 5.982 0.373 3.856 1.00 . A A . 5 GLN OE1 1 1
4 705 1 1 6 ASP C C 6.104 -1.250 -2.641 1.00 . A A . 6 ASP C 1 1
4 706 1 1 6 ASP CA C 5.664 0.150 -2.212 1.00 . A A . 6 ASP CA 1 1
4 707 1 1 6 ASP CB C 6.675 1.187 -2.693 1.00 . A A . 6 ASP CB 1 1
4 708 1 1 6 ASP CG C 6.215 2.584 -2.272 1.00 . A A . 6 ASP CG 1 1
4 709 1 1 6 ASP H H 5.976 1.089 -0.298 1.00 . A A . 6 ASP H 1 1
4 710 1 1 6 ASP HA H 4.687 0.377 -2.607 1.00 . A A . 6 ASP HA 1 1
4 711 1 1 6 ASP HB2 H 7.640 0.974 -2.256 1.00 . A A . 6 ASP HB2 1 1
4 712 1 1 6 ASP HB3 H 6.750 1.143 -3.769 1.00 . A A . 6 ASP HB3 1 1
4 713 1 1 6 ASP N N 5.667 0.272 -0.723 1.00 . A A . 6 ASP N 1 1
4 714 1 1 6 ASP O O 5.755 -1.724 -3.704 1.00 . A A . 6 ASP O 1 1
4 715 1 1 6 ASP OD1 O 5.166 2.681 -1.657 1.00 . A A . 6 ASP OD1 1 1
4 716 1 1 6 ASP OD2 O 6.921 3.532 -2.572 1.00 . A A . 6 ASP OD2 1 1
4 717 1 1 7 TRP C C 6.535 -4.336 -1.447 1.00 . A A . 7 TRP C 1 1
4 718 1 1 7 TRP CA C 7.340 -3.281 -2.198 1.00 . A A . 7 TRP CA 1 1
4 719 1 1 7 TRP CB C 8.812 -3.356 -1.776 1.00 . A A . 7 TRP CB 1 1
4 720 1 1 7 TRP CD1 C 9.761 -1.480 -0.384 1.00 . A A . 7 TRP CD1 1 1
4 721 1 1 7 TRP CD2 C 8.551 -2.915 0.845 1.00 . A A . 7 TRP CD2 1 1
4 722 1 1 7 TRP CE2 C 9.025 -1.922 1.734 1.00 . A A . 7 TRP CE2 1 1
4 723 1 1 7 TRP CE3 C 7.756 -3.945 1.370 1.00 . A A . 7 TRP CE3 1 1
4 724 1 1 7 TRP CG C 9.038 -2.612 -0.495 1.00 . A A . 7 TRP CG 1 1
4 725 1 1 7 TRP CH2 C 7.926 -2.982 3.599 1.00 . A A . 7 TRP CH2 1 1
4 726 1 1 7 TRP CZ2 C 8.721 -1.951 3.096 1.00 . A A . 7 TRP CZ2 1 1
4 727 1 1 7 TRP CZ3 C 7.445 -3.979 2.738 1.00 . A A . 7 TRP CZ3 1 1
4 728 1 1 7 TRP H H 7.147 -1.510 -0.982 1.00 . A A . 7 TRP H 1 1
4 729 1 1 7 TRP HA H 7.255 -3.432 -3.263 1.00 . A A . 7 TRP HA 1 1
4 730 1 1 7 TRP HB2 H 9.084 -4.389 -1.637 1.00 . A A . 7 TRP HB2 1 1
4 731 1 1 7 TRP HB3 H 9.425 -2.925 -2.553 1.00 . A A . 7 TRP HB3 1 1
4 732 1 1 7 TRP HD1 H 10.259 -0.982 -1.195 1.00 . A A . 7 TRP HD1 1 1
4 733 1 1 7 TRP HE1 H 10.217 -0.274 1.282 1.00 . A A . 7 TRP HE1 1 1
4 734 1 1 7 TRP HE3 H 7.383 -4.714 0.715 1.00 . A A . 7 TRP HE3 1 1
4 735 1 1 7 TRP HH2 H 7.682 -3.013 4.651 1.00 . A A . 7 TRP HH2 1 1
4 736 1 1 7 TRP HZ2 H 9.095 -1.181 3.753 1.00 . A A . 7 TRP HZ2 1 1
4 737 1 1 7 TRP HZ3 H 6.830 -4.774 3.129 1.00 . A A . 7 TRP HZ3 1 1
4 738 1 1 7 TRP N N 6.874 -1.912 -1.829 1.00 . A A . 7 TRP N 1 1
4 739 1 1 7 TRP NE1 N 9.760 -1.069 0.936 1.00 . A A . 7 TRP NE1 1 1
4 740 1 1 7 TRP O O 6.608 -5.513 -1.736 1.00 . A A . 7 TRP O 1 1
4 741 1 1 8 GLY C C 3.515 -4.465 0.347 1.00 . A A . 8 GLY C 1 1
4 742 1 1 8 GLY CA C 4.987 -4.895 0.315 1.00 . A A . 8 GLY CA 1 1
4 743 1 1 8 GLY H H 5.753 -2.973 -0.255 1.00 . A A . 8 GLY H 1 1
4 744 1 1 8 GLY HA2 H 5.072 -5.871 -0.135 1.00 . A A . 8 GLY HA2 1 1
4 745 1 1 8 GLY HA3 H 5.373 -4.926 1.322 1.00 . A A . 8 GLY HA3 1 1
4 746 1 1 8 GLY N N 5.783 -3.923 -0.475 1.00 . A A . 8 GLY N 1 1
4 747 1 1 8 GLY O O 3.038 -3.919 1.319 1.00 . A A . 8 GLY O 1 1
4 748 1 1 9 HIS C C 0.507 -5.310 0.065 1.00 . A A . 9 HIS C 1 1
4 749 1 1 9 HIS CA C 1.353 -4.317 -0.743 1.00 . A A . 9 HIS CA 1 1
4 750 1 1 9 HIS CB C 0.967 -4.378 -2.221 1.00 . A A . 9 HIS CB 1 1
4 751 1 1 9 HIS CD2 C 2.795 -2.534 -2.656 1.00 . A A . 9 HIS CD2 1 1
4 752 1 1 9 HIS CE1 C 2.722 -2.529 -4.822 1.00 . A A . 9 HIS CE1 1 1
4 753 1 1 9 HIS CG C 1.854 -3.465 -3.024 1.00 . A A . 9 HIS CG 1 1
4 754 1 1 9 HIS H H 3.195 -5.154 -1.485 1.00 . A A . 9 HIS H 1 1
4 755 1 1 9 HIS HA H 1.226 -3.315 -0.367 1.00 . A A . 9 HIS HA 1 1
4 756 1 1 9 HIS HB2 H 1.080 -5.391 -2.579 1.00 . A A . 9 HIS HB2 1 1
4 757 1 1 9 HIS HB3 H -0.062 -4.070 -2.336 1.00 . A A . 9 HIS HB3 1 1
4 758 1 1 9 HIS HD1 H 1.259 -3.999 -4.987 1.00 . A A . 9 HIS HD1 1 1
4 759 1 1 9 HIS HD2 H 3.069 -2.295 -1.640 1.00 . A A . 9 HIS HD2 1 1
4 760 1 1 9 HIS HE1 H 2.915 -2.295 -5.859 1.00 . A A . 9 HIS HE1 1 1
4 761 1 1 9 HIS N N 2.793 -4.713 -0.710 1.00 . A A . 9 HIS N 1 1
4 762 1 1 9 HIS ND1 N 1.826 -3.445 -4.411 1.00 . A A . 9 HIS ND1 1 1
4 763 1 1 9 HIS NE2 N 3.341 -1.945 -3.793 1.00 . A A . 9 HIS NE2 1 1
4 764 1 1 9 HIS O O 0.905 -6.433 0.300 1.00 . A A . 9 HIS O 1 1
4 765 1 1 10 HIS C C -2.842 -6.084 0.534 1.00 . A A . 10 HIS C 1 1
4 766 1 1 10 HIS CA C -1.535 -5.815 1.286 1.00 . A A . 10 HIS CA 1 1
4 767 1 1 10 HIS CB C -1.822 -5.062 2.587 1.00 . A A . 10 HIS CB 1 1
4 768 1 1 10 HIS CD2 C 0.121 -3.670 3.680 1.00 . A A . 10 HIS CD2 1 1
4 769 1 1 10 HIS CE1 C 1.306 -5.318 4.439 1.00 . A A . 10 HIS CE1 1 1
4 770 1 1 10 HIS CG C -0.537 -4.824 3.334 1.00 . A A . 10 HIS CG 1 1
4 771 1 1 10 HIS H H -0.961 -3.988 0.292 1.00 . A A . 10 HIS H 1 1
4 772 1 1 10 HIS HA H -1.025 -6.737 1.500 1.00 . A A . 10 HIS HA 1 1
4 773 1 1 10 HIS HB2 H -2.284 -4.113 2.357 1.00 . A A . 10 HIS HB2 1 1
4 774 1 1 10 HIS HB3 H -2.490 -5.647 3.201 1.00 . A A . 10 HIS HB3 1 1
4 775 1 1 10 HIS HD1 H 0.041 -6.821 3.751 1.00 . A A . 10 HIS HD1 1 1
4 776 1 1 10 HIS HD2 H -0.213 -2.669 3.447 1.00 . A A . 10 HIS HD2 1 1
4 777 1 1 10 HIS HE1 H 2.086 -5.890 4.919 1.00 . A A . 10 HIS HE1 1 1
4 778 1 1 10 HIS N N -0.660 -4.899 0.493 1.00 . A A . 10 HIS N 1 1
4 779 1 1 10 HIS ND1 N 0.237 -5.863 3.829 1.00 . A A . 10 HIS ND1 1 1
4 780 1 1 10 HIS NE2 N 1.284 -3.984 4.377 1.00 . A A . 10 HIS NE2 1 1
4 781 1 1 10 HIS O O -3.085 -7.176 0.060 1.00 . A A . 10 HIS O 1 1
4 782 1 1 11 ARG C C -5.761 -3.960 -0.304 1.00 . A A . 11 ARG C 1 1
4 783 1 1 11 ARG CA C -4.974 -5.274 -0.297 1.00 . A A . 11 ARG CA 1 1
4 784 1 1 11 ARG CB C -5.727 -6.355 0.483 1.00 . A A . 11 ARG CB 1 1
4 785 1 1 11 ARG CD C -5.190 -7.269 2.745 1.00 . A A . 11 ARG CD 1 1
4 786 1 1 11 ARG CG C -5.686 -6.040 1.980 1.00 . A A . 11 ARG CG 1 1
4 787 1 1 11 ARG CZ C -5.896 -6.564 4.956 1.00 . A A . 11 ARG CZ 1 1
4 788 1 1 11 ARG H H -3.457 -4.224 0.816 1.00 . A A . 11 ARG H 1 1
4 789 1 1 11 ARG HA H -4.795 -5.608 -1.307 1.00 . A A . 11 ARG HA 1 1
4 790 1 1 11 ARG HB2 H -6.755 -6.387 0.150 1.00 . A A . 11 ARG HB2 1 1
4 791 1 1 11 ARG HB3 H -5.263 -7.314 0.307 1.00 . A A . 11 ARG HB3 1 1
4 792 1 1 11 ARG HD2 H -5.954 -8.035 2.760 1.00 . A A . 11 ARG HD2 1 1
4 793 1 1 11 ARG HD3 H -4.285 -7.650 2.298 1.00 . A A . 11 ARG HD3 1 1
4 794 1 1 11 ARG HE H -3.988 -6.619 4.409 1.00 . A A . 11 ARG HE 1 1
4 795 1 1 11 ARG HG2 H -5.016 -5.210 2.156 1.00 . A A . 11 ARG HG2 1 1
4 796 1 1 11 ARG HG3 H -6.678 -5.782 2.321 1.00 . A A . 11 ARG HG3 1 1
4 797 1 1 11 ARG HH11 H -7.008 -8.088 4.282 1.00 . A A . 11 ARG HH11 1 1
4 798 1 1 11 ARG HH12 H -7.703 -7.165 5.572 1.00 . A A . 11 ARG HH12 1 1
4 799 1 1 11 ARG HH21 H -5.011 -4.992 5.826 1.00 . A A . 11 ARG HH21 1 1
4 800 1 1 11 ARG HH22 H -6.578 -5.416 6.448 1.00 . A A . 11 ARG HH22 1 1
4 801 1 1 11 ARG N N -3.679 -5.093 0.424 1.00 . A A . 11 ARG N 1 1
4 802 1 1 11 ARG NE N -4.911 -6.780 4.125 1.00 . A A . 11 ARG NE 1 1
4 803 1 1 11 ARG NH1 N -6.951 -7.332 4.934 1.00 . A A . 11 ARG NH1 1 1
4 804 1 1 11 ARG NH2 N -5.823 -5.580 5.809 1.00 . A A . 11 ARG NH2 1 1
4 805 1 1 11 ARG O O -6.554 -3.694 0.579 1.00 . A A . 11 ARG O 1 1
4 806 1 1 12 CYS C C -7.655 -2.038 -1.993 1.00 . A A . 12 CYS C 1 1
4 807 1 1 12 CYS CA C -6.276 -1.838 -1.358 1.00 . A A . 12 CYS CA 1 1
4 808 1 1 12 CYS CB C -5.405 -0.939 -2.239 1.00 . A A . 12 CYS CB 1 1
4 809 1 1 12 CYS H H -4.900 -3.369 -1.992 1.00 . A A . 12 CYS H 1 1
4 810 1 1 12 CYS HA H -6.371 -1.409 -0.373 1.00 . A A . 12 CYS HA 1 1
4 811 1 1 12 CYS HB2 H -5.106 -1.483 -3.124 1.00 . A A . 12 CYS HB2 1 1
4 812 1 1 12 CYS HB3 H -5.969 -0.063 -2.526 1.00 . A A . 12 CYS HB3 1 1
4 813 1 1 12 CYS N N -5.545 -3.136 -1.292 1.00 . A A . 12 CYS N 1 1
4 814 1 1 12 CYS O O -8.625 -2.322 -1.320 1.00 . A A . 12 CYS O 1 1
4 815 1 1 12 CYS SG S -3.933 -0.430 -1.320 1.00 . A A . 12 CYS SG 1 1
4 816 1 1 13 THR C C -8.836 -2.330 -5.465 1.00 . A A . 13 THR C 1 1
4 817 1 1 13 THR CA C -9.060 -2.069 -3.971 1.00 . A A . 13 THR CA 1 1
4 818 1 1 13 THR CB C -9.802 -0.747 -3.754 1.00 . A A . 13 THR CB 1 1
4 819 1 1 13 THR CG2 C -10.935 -0.616 -4.773 1.00 . A A . 13 THR CG2 1 1
4 820 1 1 13 THR H H -6.953 -1.662 -3.812 1.00 . A A . 13 THR H 1 1
4 821 1 1 13 THR HA H -9.612 -2.881 -3.523 1.00 . A A . 13 THR HA 1 1
4 822 1 1 13 THR HB H -9.115 0.076 -3.877 1.00 . A A . 13 THR HB 1 1
4 823 1 1 13 THR HG1 H -9.614 -0.778 -1.818 1.00 . A A . 13 THR HG1 1 1
4 824 1 1 13 THR HG21 H -11.439 -1.566 -4.874 1.00 . A A . 13 THR HG21 1 1
4 825 1 1 13 THR HG22 H -11.639 0.131 -4.437 1.00 . A A . 13 THR HG22 1 1
4 826 1 1 13 THR HG23 H -10.526 -0.323 -5.729 1.00 . A A . 13 THR HG23 1 1
4 827 1 1 13 THR N N -7.747 -1.891 -3.288 1.00 . A A . 13 THR N 1 1
4 828 1 1 13 THR O O -8.146 -1.583 -6.130 1.00 . A A . 13 THR O 1 1
4 829 1 1 13 THR OG1 O -10.342 -0.721 -2.439 1.00 . A A . 13 THR OG1 1 1
4 830 1 1 14 NH2 HN1 H -9.953 -3.973 -5.485 1.00 . A A . 14 NH2 HN1 1 1
4 831 1 1 14 NH2 HN2 H -9.256 -3.543 -6.981 1.00 . A A . 14 NH2 HN2 1 1
4 832 1 1 14 NH2 N N -9.394 -3.367 -6.022 1.00 . A A . 14 NH2 N 1 1
5 833 1 1 1 ILE C C -3.595 6.200 -0.036 1.00 . A A . 1 ILE C 1 1
5 834 1 1 1 ILE CA C -4.613 7.117 -0.728 1.00 . A A . 1 ILE CA 1 1
5 835 1 1 1 ILE CB C -5.468 7.897 0.288 1.00 . A A . 1 ILE CB 1 1
5 836 1 1 1 ILE CD1 C -3.382 9.042 1.051 1.00 . A A . 1 ILE CD1 1 1
5 837 1 1 1 ILE CG1 C -4.816 9.255 0.563 1.00 . A A . 1 ILE CG1 1 1
5 838 1 1 1 ILE CG2 C -5.589 7.122 1.604 1.00 . A A . 1 ILE CG2 1 1
5 839 1 1 1 ILE H1 H -5.077 5.677 -2.160 1.00 . A A . 1 ILE H1 1 1
5 840 1 1 1 ILE H2 H -6.167 5.733 -0.858 1.00 . A A . 1 ILE H2 1 1
5 841 1 1 1 ILE H3 H -6.207 6.937 -2.056 1.00 . A A . 1 ILE H3 1 1
5 842 1 1 1 ILE HA H -4.104 7.808 -1.380 1.00 . A A . 1 ILE HA 1 1
5 843 1 1 1 ILE HB H -6.454 8.053 -0.126 1.00 . A A . 1 ILE HB 1 1
5 844 1 1 1 ILE HD11 H -3.373 8.278 1.815 1.00 . A A . 1 ILE HD11 1 1
5 845 1 1 1 ILE HD12 H -2.761 8.730 0.223 1.00 . A A . 1 ILE HD12 1 1
5 846 1 1 1 ILE HD13 H -2.997 9.965 1.460 1.00 . A A . 1 ILE HD13 1 1
5 847 1 1 1 ILE HG12 H -4.805 9.841 -0.346 1.00 . A A . 1 ILE HG12 1 1
5 848 1 1 1 ILE HG13 H -5.377 9.775 1.323 1.00 . A A . 1 ILE HG13 1 1
5 849 1 1 1 ILE HG21 H -5.579 6.061 1.401 1.00 . A A . 1 ILE HG21 1 1
5 850 1 1 1 ILE HG22 H -4.758 7.372 2.247 1.00 . A A . 1 ILE HG22 1 1
5 851 1 1 1 ILE HG23 H -6.515 7.387 2.092 1.00 . A A . 1 ILE HG23 1 1
5 852 1 1 1 ILE N N -5.590 6.305 -1.509 1.00 . A A . 1 ILE N 1 1
5 853 1 1 1 ILE O O -2.614 6.655 0.516 1.00 . A A . 1 ILE O 1 1
5 854 1 1 2 CYS C C -1.694 3.672 -0.370 1.00 . A A . 2 CYS C 1 1
5 855 1 1 2 CYS CA C -2.849 3.984 0.588 1.00 . A A . 2 CYS CA 1 1
5 856 1 1 2 CYS CB C -3.655 2.718 0.935 1.00 . A A . 2 CYS CB 1 1
5 857 1 1 2 CYS H H -4.609 4.558 -0.519 1.00 . A A . 2 CYS H 1 1
5 858 1 1 2 CYS HA H -2.465 4.430 1.492 1.00 . A A . 2 CYS HA 1 1
5 859 1 1 2 CYS HB2 H -3.136 2.164 1.704 1.00 . A A . 2 CYS HB2 1 1
5 860 1 1 2 CYS HB3 H -4.631 3.007 1.301 1.00 . A A . 2 CYS HB3 1 1
5 861 1 1 2 CYS N N -3.816 4.912 -0.065 1.00 . A A . 2 CYS N 1 1
5 862 1 1 2 CYS O O -1.897 3.281 -1.503 1.00 . A A . 2 CYS O 1 1
5 863 1 1 2 CYS SG S -3.851 1.662 -0.527 1.00 . A A . 2 CYS SG 1 1
5 864 1 1 3 VAL C C 1.881 3.132 0.011 1.00 . A A . 3 VAL C 1 1
5 865 1 1 3 VAL CA C 0.681 3.571 -0.815 1.00 . A A . 3 VAL CA 1 1
5 866 1 1 3 VAL CB C 0.974 4.892 -1.507 1.00 . A A . 3 VAL CB 1 1
5 867 1 1 3 VAL CG1 C 2.210 4.743 -2.393 1.00 . A A . 3 VAL CG1 1 1
5 868 1 1 3 VAL CG2 C -0.219 5.301 -2.370 1.00 . A A . 3 VAL CG2 1 1
5 869 1 1 3 VAL H H -0.338 4.178 0.986 1.00 . A A . 3 VAL H 1 1
5 870 1 1 3 VAL HA H 0.428 2.818 -1.533 1.00 . A A . 3 VAL HA 1 1
5 871 1 1 3 VAL HB H 1.158 5.644 -0.755 1.00 . A A . 3 VAL HB 1 1
5 872 1 1 3 VAL HG11 H 2.186 3.781 -2.884 1.00 . A A . 3 VAL HG11 1 1
5 873 1 1 3 VAL HG12 H 2.216 5.527 -3.135 1.00 . A A . 3 VAL HG12 1 1
5 874 1 1 3 VAL HG13 H 3.099 4.815 -1.785 1.00 . A A . 3 VAL HG13 1 1
5 875 1 1 3 VAL HG21 H -0.497 4.480 -3.012 1.00 . A A . 3 VAL HG21 1 1
5 876 1 1 3 VAL HG22 H -1.052 5.560 -1.733 1.00 . A A . 3 VAL HG22 1 1
5 877 1 1 3 VAL HG23 H 0.051 6.155 -2.975 1.00 . A A . 3 VAL HG23 1 1
5 878 1 1 3 VAL N N -0.483 3.853 0.073 1.00 . A A . 3 VAL N 1 1
5 879 1 1 3 VAL O O 3.005 3.106 -0.450 1.00 . A A . 3 VAL O 1 1
5 880 1 1 4 VAL C C 3.449 1.128 1.522 1.00 . A A . 4 VAL C 1 1
5 881 1 1 4 VAL CA C 2.756 2.351 2.120 1.00 . A A . 4 VAL CA 1 1
5 882 1 1 4 VAL CB C 2.119 2.028 3.479 1.00 . A A . 4 VAL CB 1 1
5 883 1 1 4 VAL CG1 C 0.743 1.378 3.293 1.00 . A A . 4 VAL CG1 1 1
5 884 1 1 4 VAL CG2 C 3.010 1.069 4.271 1.00 . A A . 4 VAL CG2 1 1
5 885 1 1 4 VAL H H 0.728 2.834 1.562 1.00 . A A . 4 VAL H 1 1
5 886 1 1 4 VAL HA H 3.469 3.152 2.238 1.00 . A A . 4 VAL HA 1 1
5 887 1 1 4 VAL HB H 2.016 2.943 4.031 1.00 . A A . 4 VAL HB 1 1
5 888 1 1 4 VAL HG11 H 0.720 0.844 2.354 1.00 . A A . 4 VAL HG11 1 1
5 889 1 1 4 VAL HG12 H 0.559 0.689 4.103 1.00 . A A . 4 VAL HG12 1 1
5 890 1 1 4 VAL HG13 H -0.020 2.143 3.291 1.00 . A A . 4 VAL HG13 1 1
5 891 1 1 4 VAL HG21 H 4.024 1.136 3.916 1.00 . A A . 4 VAL HG21 1 1
5 892 1 1 4 VAL HG22 H 2.978 1.333 5.317 1.00 . A A . 4 VAL HG22 1 1
5 893 1 1 4 VAL HG23 H 2.646 0.064 4.144 1.00 . A A . 4 VAL HG23 1 1
5 894 1 1 4 VAL N N 1.641 2.792 1.232 1.00 . A A . 4 VAL N 1 1
5 895 1 1 4 VAL O O 2.876 0.384 0.750 1.00 . A A . 4 VAL O 1 1
5 896 1 1 5 GLN C C 5.282 -0.290 -0.193 1.00 . A A . 5 GLN C 1 1
5 897 1 1 5 GLN CA C 5.453 -0.221 1.319 1.00 . A A . 5 GLN CA 1 1
5 898 1 1 5 GLN CB C 4.869 -1.465 1.972 1.00 . A A . 5 GLN CB 1 1
5 899 1 1 5 GLN CD C 5.506 -2.502 4.162 1.00 . A A . 5 GLN CD 1 1
5 900 1 1 5 GLN CG C 4.860 -1.289 3.491 1.00 . A A . 5 GLN CG 1 1
5 901 1 1 5 GLN H H 5.118 1.565 2.482 1.00 . A A . 5 GLN H 1 1
5 902 1 1 5 GLN HA H 6.498 -0.130 1.571 1.00 . A A . 5 GLN HA 1 1
5 903 1 1 5 GLN HB2 H 3.861 -1.614 1.615 1.00 . A A . 5 GLN HB2 1 1
5 904 1 1 5 GLN HB3 H 5.476 -2.316 1.708 1.00 . A A . 5 GLN HB3 1 1
5 905 1 1 5 GLN HE21 H 5.217 -1.803 6.003 1.00 . A A . 5 GLN HE21 1 1
5 906 1 1 5 GLN HE22 H 5.989 -3.322 5.910 1.00 . A A . 5 GLN HE22 1 1
5 907 1 1 5 GLN HG2 H 5.412 -0.399 3.752 1.00 . A A . 5 GLN HG2 1 1
5 908 1 1 5 GLN HG3 H 3.845 -1.196 3.832 1.00 . A A . 5 GLN HG3 1 1
5 909 1 1 5 GLN N N 4.687 0.935 1.867 1.00 . A A . 5 GLN N 1 1
5 910 1 1 5 GLN NE2 N 5.577 -2.547 5.466 1.00 . A A . 5 GLN NE2 1 1
5 911 1 1 5 GLN O O 4.326 -0.838 -0.705 1.00 . A A . 5 GLN O 1 1
5 912 1 1 5 GLN OE1 O 5.942 -3.420 3.500 1.00 . A A . 5 GLN OE1 1 1
5 913 1 1 6 ASP C C 6.160 -1.187 -2.894 1.00 . A A . 6 ASP C 1 1
5 914 1 1 6 ASP CA C 6.140 0.253 -2.389 1.00 . A A . 6 ASP CA 1 1
5 915 1 1 6 ASP CB C 7.399 0.986 -2.846 1.00 . A A . 6 ASP CB 1 1
5 916 1 1 6 ASP CG C 7.142 2.494 -2.839 1.00 . A A . 6 ASP CG 1 1
5 917 1 1 6 ASP H H 6.964 0.692 -0.447 1.00 . A A . 6 ASP H 1 1
5 918 1 1 6 ASP HA H 5.260 0.770 -2.737 1.00 . A A . 6 ASP HA 1 1
5 919 1 1 6 ASP HB2 H 8.213 0.751 -2.173 1.00 . A A . 6 ASP HB2 1 1
5 920 1 1 6 ASP HB3 H 7.655 0.669 -3.846 1.00 . A A . 6 ASP HB3 1 1
5 921 1 1 6 ASP N N 6.211 0.266 -0.901 1.00 . A A . 6 ASP N 1 1
5 922 1 1 6 ASP O O 5.744 -1.479 -3.998 1.00 . A A . 6 ASP O 1 1
5 923 1 1 6 ASP OD1 O 6.299 2.934 -3.603 1.00 . A A . 6 ASP OD1 1 1
5 924 1 1 6 ASP OD2 O 7.791 3.184 -2.069 1.00 . A A . 6 ASP OD2 1 1
5 925 1 1 7 TRP C C 5.889 -4.378 -1.557 1.00 . A A . 7 TRP C 1 1
5 926 1 1 7 TRP CA C 6.722 -3.511 -2.501 1.00 . A A . 7 TRP CA 1 1
5 927 1 1 7 TRP CB C 8.205 -3.874 -2.391 1.00 . A A . 7 TRP CB 1 1
5 928 1 1 7 TRP CD1 C 9.678 -2.251 -1.123 1.00 . A A . 7 TRP CD1 1 1
5 929 1 1 7 TRP CD2 C 8.556 -3.644 0.237 1.00 . A A . 7 TRP CD2 1 1
5 930 1 1 7 TRP CE2 C 9.334 -2.803 1.068 1.00 . A A . 7 TRP CE2 1 1
5 931 1 1 7 TRP CE3 C 7.751 -4.616 0.847 1.00 . A A . 7 TRP CE3 1 1
5 932 1 1 7 TRP CG C 8.795 -3.275 -1.150 1.00 . A A . 7 TRP CG 1 1
5 933 1 1 7 TRP CH2 C 8.507 -3.900 3.048 1.00 . A A . 7 TRP CH2 1 1
5 934 1 1 7 TRP CZ2 C 9.313 -2.925 2.458 1.00 . A A . 7 TRP CZ2 1 1
5 935 1 1 7 TRP CZ3 C 7.726 -4.744 2.244 1.00 . A A . 7 TRP CZ3 1 1
5 936 1 1 7 TRP H H 6.984 -1.815 -1.207 1.00 . A A . 7 TRP H 1 1
5 937 1 1 7 TRP HA H 6.387 -3.629 -3.519 1.00 . A A . 7 TRP HA 1 1
5 938 1 1 7 TRP HB2 H 8.305 -4.944 -2.351 1.00 . A A . 7 TRP HB2 1 1
5 939 1 1 7 TRP HB3 H 8.728 -3.495 -3.254 1.00 . A A . 7 TRP HB3 1 1
5 940 1 1 7 TRP HD1 H 10.068 -1.737 -1.985 1.00 . A A . 7 TRP HD1 1 1
5 941 1 1 7 TRP HE1 H 10.619 -1.273 0.487 1.00 . A A . 7 TRP HE1 1 1
5 942 1 1 7 TRP HE3 H 7.145 -5.265 0.234 1.00 . A A . 7 TRP HE3 1 1
5 943 1 1 7 TRP HH2 H 8.485 -4.004 4.122 1.00 . A A . 7 TRP HH2 1 1
5 944 1 1 7 TRP HZ2 H 9.915 -2.271 3.070 1.00 . A A . 7 TRP HZ2 1 1
5 945 1 1 7 TRP HZ3 H 7.104 -5.497 2.703 1.00 . A A . 7 TRP HZ3 1 1
5 946 1 1 7 TRP N N 6.651 -2.083 -2.088 1.00 . A A . 7 TRP N 1 1
5 947 1 1 7 TRP NE1 N 9.999 -1.971 0.193 1.00 . A A . 7 TRP NE1 1 1
5 948 1 1 7 TRP O O 5.578 -5.516 -1.847 1.00 . A A . 7 TRP O 1 1
5 949 1 1 8 GLY C C 3.236 -4.361 0.318 1.00 . A A . 8 GLY C 1 1
5 950 1 1 8 GLY CA C 4.726 -4.625 0.548 1.00 . A A . 8 GLY CA 1 1
5 951 1 1 8 GLY H H 5.795 -2.931 -0.220 1.00 . A A . 8 GLY H 1 1
5 952 1 1 8 GLY HA2 H 4.930 -5.679 0.413 1.00 . A A . 8 GLY HA2 1 1
5 953 1 1 8 GLY HA3 H 4.993 -4.332 1.550 1.00 . A A . 8 GLY HA3 1 1
5 954 1 1 8 GLY N N 5.532 -3.845 -0.427 1.00 . A A . 8 GLY N 1 1
5 955 1 1 8 GLY O O 2.557 -3.793 1.151 1.00 . A A . 8 GLY O 1 1
5 956 1 1 9 HIS C C 0.421 -5.590 -0.382 1.00 . A A . 9 HIS C 1 1
5 957 1 1 9 HIS CA C 1.281 -4.550 -1.106 1.00 . A A . 9 HIS CA 1 1
5 958 1 1 9 HIS CB C 1.157 -4.723 -2.618 1.00 . A A . 9 HIS CB 1 1
5 959 1 1 9 HIS CD2 C 2.949 -2.831 -2.918 1.00 . A A . 9 HIS CD2 1 1
5 960 1 1 9 HIS CE1 C 2.345 -2.132 -4.878 1.00 . A A . 9 HIS CE1 1 1
5 961 1 1 9 HIS CG C 1.880 -3.600 -3.303 1.00 . A A . 9 HIS CG 1 1
5 962 1 1 9 HIS H H 3.300 -5.220 -1.465 1.00 . A A . 9 HIS H 1 1
5 963 1 1 9 HIS HA H 0.987 -3.553 -0.823 1.00 . A A . 9 HIS HA 1 1
5 964 1 1 9 HIS HB2 H 1.596 -5.667 -2.911 1.00 . A A . 9 HIS HB2 1 1
5 965 1 1 9 HIS HB3 H 0.115 -4.705 -2.898 1.00 . A A . 9 HIS HB3 1 1
5 966 1 1 9 HIS HD1 H 0.776 -3.479 -5.108 1.00 . A A . 9 HIS HD1 1 1
5 967 1 1 9 HIS HD2 H 3.476 -2.928 -1.982 1.00 . A A . 9 HIS HD2 1 1
5 968 1 1 9 HIS HE1 H 2.292 -1.570 -5.799 1.00 . A A . 9 HIS HE1 1 1
5 969 1 1 9 HIS N N 2.728 -4.770 -0.809 1.00 . A A . 9 HIS N 1 1
5 970 1 1 9 HIS ND1 N 1.512 -3.138 -4.557 1.00 . A A . 9 HIS ND1 1 1
5 971 1 1 9 HIS NE2 N 3.242 -1.904 -3.914 1.00 . A A . 9 HIS NE2 1 1
5 972 1 1 9 HIS O O 0.634 -6.781 -0.507 1.00 . A A . 9 HIS O 1 1
5 973 1 1 10 HIS C C -2.725 -6.352 0.327 1.00 . A A . 10 HIS C 1 1
5 974 1 1 10 HIS CA C -1.423 -6.112 1.099 1.00 . A A . 10 HIS CA 1 1
5 975 1 1 10 HIS CB C -1.709 -5.441 2.440 1.00 . A A . 10 HIS CB 1 1
5 976 1 1 10 HIS CD2 C -0.338 -7.205 3.827 1.00 . A A . 10 HIS CD2 1 1
5 977 1 1 10 HIS CE1 C -1.772 -7.536 5.417 1.00 . A A . 10 HIS CE1 1 1
5 978 1 1 10 HIS CG C -1.423 -6.406 3.559 1.00 . A A . 10 HIS CG 1 1
5 979 1 1 10 HIS H H -0.703 -4.185 0.454 1.00 . A A . 10 HIS H 1 1
5 980 1 1 10 HIS HA H -0.906 -7.040 1.259 1.00 . A A . 10 HIS HA 1 1
5 981 1 1 10 HIS HB2 H -1.079 -4.569 2.548 1.00 . A A . 10 HIS HB2 1 1
5 982 1 1 10 HIS HB3 H -2.746 -5.143 2.480 1.00 . A A . 10 HIS HB3 1 1
5 983 1 1 10 HIS HD1 H -3.206 -6.219 4.684 1.00 . A A . 10 HIS HD1 1 1
5 984 1 1 10 HIS HD2 H 0.551 -7.269 3.220 1.00 . A A . 10 HIS HD2 1 1
5 985 1 1 10 HIS HE1 H -2.250 -7.906 6.313 1.00 . A A . 10 HIS HE1 1 1
5 986 1 1 10 HIS N N -0.550 -5.148 0.369 1.00 . A A . 10 HIS N 1 1
5 987 1 1 10 HIS ND1 N -2.325 -6.635 4.585 1.00 . A A . 10 HIS ND1 1 1
5 988 1 1 10 HIS NE2 N -0.561 -7.917 5.001 1.00 . A A . 10 HIS NE2 1 1
5 989 1 1 10 HIS O O -2.912 -7.387 -0.282 1.00 . A A . 10 HIS O 1 1
5 990 1 1 11 ARG C C -5.812 -4.355 -0.252 1.00 . A A . 11 ARG C 1 1
5 991 1 1 11 ARG CA C -4.919 -5.597 -0.381 1.00 . A A . 11 ARG CA 1 1
5 992 1 1 11 ARG CB C -5.581 -6.795 0.296 1.00 . A A . 11 ARG CB 1 1
5 993 1 1 11 ARG CD C -5.223 -7.548 2.647 1.00 . A A . 11 ARG CD 1 1
5 994 1 1 11 ARG CG C -5.847 -6.467 1.766 1.00 . A A . 11 ARG CG 1 1
5 995 1 1 11 ARG CZ C -4.882 -9.679 1.548 1.00 . A A . 11 ARG CZ 1 1
5 996 1 1 11 ARG H H -3.462 -4.585 0.850 1.00 . A A . 11 ARG H 1 1
5 997 1 1 11 ARG HA H -4.734 -5.821 -1.419 1.00 . A A . 11 ARG HA 1 1
5 998 1 1 11 ARG HB2 H -6.514 -7.019 -0.198 1.00 . A A . 11 ARG HB2 1 1
5 999 1 1 11 ARG HB3 H -4.926 -7.650 0.235 1.00 . A A . 11 ARG HB3 1 1
5 1000 1 1 11 ARG HD2 H -4.144 -7.503 2.591 1.00 . A A . 11 ARG HD2 1 1
5 1001 1 1 11 ARG HD3 H -5.554 -7.439 3.667 1.00 . A A . 11 ARG HD3 1 1
5 1002 1 1 11 ARG HE H -6.679 -9.041 2.110 1.00 . A A . 11 ARG HE 1 1
5 1003 1 1 11 ARG HG2 H -5.410 -5.507 2.007 1.00 . A A . 11 ARG HG2 1 1
5 1004 1 1 11 ARG HG3 H -6.912 -6.433 1.941 1.00 . A A . 11 ARG HG3 1 1
5 1005 1 1 11 ARG HH11 H -3.507 -9.465 2.988 1.00 . A A . 11 ARG HH11 1 1
5 1006 1 1 11 ARG HH12 H -3.101 -10.576 1.725 1.00 . A A . 11 ARG HH12 1 1
5 1007 1 1 11 ARG HH21 H -6.064 -10.098 -0.017 1.00 . A A . 11 ARG HH21 1 1
5 1008 1 1 11 ARG HH22 H -4.539 -10.928 0.018 1.00 . A A . 11 ARG HH22 1 1
5 1009 1 1 11 ARG N N -3.630 -5.409 0.350 1.00 . A A . 11 ARG N 1 1
5 1010 1 1 11 ARG NE N -5.722 -8.833 2.082 1.00 . A A . 11 ARG NE 1 1
5 1011 1 1 11 ARG NH1 N -3.741 -9.925 2.133 1.00 . A A . 11 ARG NH1 1 1
5 1012 1 1 11 ARG NH2 N -5.187 -10.284 0.430 1.00 . A A . 11 ARG NH2 1 1
5 1013 1 1 11 ARG O O -6.876 -4.403 0.333 1.00 . A A . 11 ARG O 1 1
5 1014 1 1 12 CYS C C -7.449 -2.125 -1.652 1.00 . A A . 12 CYS C 1 1
5 1015 1 1 12 CYS CA C -6.236 -2.010 -0.725 1.00 . A A . 12 CYS CA 1 1
5 1016 1 1 12 CYS CB C -5.328 -0.874 -1.200 1.00 . A A . 12 CYS CB 1 1
5 1017 1 1 12 CYS H H -4.543 -3.227 -1.283 1.00 . A A . 12 CYS H 1 1
5 1018 1 1 12 CYS HA H -6.549 -1.831 0.288 1.00 . A A . 12 CYS HA 1 1
5 1019 1 1 12 CYS HB2 H -4.596 -1.269 -1.887 1.00 . A A . 12 CYS HB2 1 1
5 1020 1 1 12 CYS HB3 H -5.926 -0.127 -1.704 1.00 . A A . 12 CYS HB3 1 1
5 1021 1 1 12 CYS N N -5.398 -3.246 -0.805 1.00 . A A . 12 CYS N 1 1
5 1022 1 1 12 CYS O O -8.556 -2.368 -1.219 1.00 . A A . 12 CYS O 1 1
5 1023 1 1 12 CYS SG S -4.475 -0.116 0.206 1.00 . A A . 12 CYS SG 1 1
5 1024 1 1 13 THR C C -7.897 -2.689 -5.192 1.00 . A A . 13 THR C 1 1
5 1025 1 1 13 THR CA C -8.375 -2.034 -3.894 1.00 . A A . 13 THR CA 1 1
5 1026 1 1 13 THR CB C -8.803 -0.583 -4.145 1.00 . A A . 13 THR CB 1 1
5 1027 1 1 13 THR CG2 C -10.312 -0.522 -4.395 1.00 . A A . 13 THR CG2 1 1
5 1028 1 1 13 THR H H -6.339 -1.742 -3.250 1.00 . A A . 13 THR H 1 1
5 1029 1 1 13 THR HA H -9.194 -2.592 -3.467 1.00 . A A . 13 THR HA 1 1
5 1030 1 1 13 THR HB H -8.282 -0.196 -5.007 1.00 . A A . 13 THR HB 1 1
5 1031 1 1 13 THR HG1 H -9.185 0.094 -2.360 1.00 . A A . 13 THR HG1 1 1
5 1032 1 1 13 THR HG21 H -10.825 -1.101 -3.640 1.00 . A A . 13 THR HG21 1 1
5 1033 1 1 13 THR HG22 H -10.642 0.505 -4.347 1.00 . A A . 13 THR HG22 1 1
5 1034 1 1 13 THR HG23 H -10.535 -0.926 -5.371 1.00 . A A . 13 THR HG23 1 1
5 1035 1 1 13 THR N N -7.242 -1.942 -2.928 1.00 . A A . 13 THR N 1 1
5 1036 1 1 13 THR O O -6.807 -2.422 -5.659 1.00 . A A . 13 THR O 1 1
5 1037 1 1 13 THR OG1 O -8.480 0.203 -3.005 1.00 . A A . 13 THR OG1 1 1
5 1038 1 1 14 NH2 HN1 H -9.552 -3.767 -5.419 1.00 . A A . 14 NH2 HN1 1 1
5 1039 1 1 14 NH2 HN2 H -8.367 -3.981 -6.627 1.00 . A A . 14 NH2 HN2 1 1
5 1040 1 1 14 NH2 N N -8.670 -3.549 -5.796 1.00 . A A . 14 NH2 N 1 1
6 1041 1 1 1 ILE C C -4.388 4.318 0.362 1.00 . A A . 1 ILE C 1 1
6 1042 1 1 1 ILE CA C -5.717 4.549 -0.367 1.00 . A A . 1 ILE CA 1 1
6 1043 1 1 1 ILE CB C -5.790 5.961 -0.979 1.00 . A A . 1 ILE CB 1 1
6 1044 1 1 1 ILE CD1 C -3.574 6.949 -0.289 1.00 . A A . 1 ILE CD1 1 1
6 1045 1 1 1 ILE CG1 C -4.392 6.394 -1.459 1.00 . A A . 1 ILE CG1 1 1
6 1046 1 1 1 ILE CG2 C -6.322 6.965 0.051 1.00 . A A . 1 ILE CG2 1 1
6 1047 1 1 1 ILE H1 H -6.630 5.051 1.440 1.00 . A A . 1 ILE H1 1 1
6 1048 1 1 1 ILE H2 H -7.718 4.825 0.155 1.00 . A A . 1 ILE H2 1 1
6 1049 1 1 1 ILE H3 H -6.990 3.484 0.894 1.00 . A A . 1 ILE H3 1 1
6 1050 1 1 1 ILE HA H -5.845 3.810 -1.141 1.00 . A A . 1 ILE HA 1 1
6 1051 1 1 1 ILE HB H -6.462 5.940 -1.825 1.00 . A A . 1 ILE HB 1 1
6 1052 1 1 1 ILE HD11 H -4.086 6.748 0.638 1.00 . A A . 1 ILE HD11 1 1
6 1053 1 1 1 ILE HD12 H -2.603 6.476 -0.274 1.00 . A A . 1 ILE HD12 1 1
6 1054 1 1 1 ILE HD13 H -3.452 8.016 -0.410 1.00 . A A . 1 ILE HD13 1 1
6 1055 1 1 1 ILE HG12 H -3.880 5.540 -1.877 1.00 . A A . 1 ILE HG12 1 1
6 1056 1 1 1 ILE HG13 H -4.494 7.156 -2.218 1.00 . A A . 1 ILE HG13 1 1
6 1057 1 1 1 ILE HG21 H -5.745 6.888 0.961 1.00 . A A . 1 ILE HG21 1 1
6 1058 1 1 1 ILE HG22 H -6.241 7.967 -0.345 1.00 . A A . 1 ILE HG22 1 1
6 1059 1 1 1 ILE HG23 H -7.359 6.745 0.265 1.00 . A A . 1 ILE HG23 1 1
6 1060 1 1 1 ILE N N -6.850 4.471 0.603 1.00 . A A . 1 ILE N 1 1
6 1061 1 1 1 ILE O O -4.168 4.817 1.448 1.00 . A A . 1 ILE O 1 1
6 1062 1 1 2 CYS C C -1.071 3.291 -0.596 1.00 . A A . 2 CYS C 1 1
6 1063 1 1 2 CYS CA C -2.200 3.280 0.439 1.00 . A A . 2 CYS CA 1 1
6 1064 1 1 2 CYS CB C -2.338 1.880 1.050 1.00 . A A . 2 CYS CB 1 1
6 1065 1 1 2 CYS H H -3.708 3.154 -1.096 1.00 . A A . 2 CYS H 1 1
6 1066 1 1 2 CYS HA H -2.009 4.004 1.213 1.00 . A A . 2 CYS HA 1 1
6 1067 1 1 2 CYS HB2 H -2.184 1.139 0.281 1.00 . A A . 2 CYS HB2 1 1
6 1068 1 1 2 CYS HB3 H -1.592 1.754 1.821 1.00 . A A . 2 CYS HB3 1 1
6 1069 1 1 2 CYS N N -3.507 3.554 -0.224 1.00 . A A . 2 CYS N 1 1
6 1070 1 1 2 CYS O O -1.017 2.454 -1.477 1.00 . A A . 2 CYS O 1 1
6 1071 1 1 2 CYS SG S -3.990 1.667 1.770 1.00 . A A . 2 CYS SG 1 1
6 1072 1 1 3 VAL C C 2.272 3.920 -0.812 1.00 . A A . 3 VAL C 1 1
6 1073 1 1 3 VAL CA C 0.952 4.287 -1.480 1.00 . A A . 3 VAL CA 1 1
6 1074 1 1 3 VAL CB C 0.974 5.733 -1.959 1.00 . A A . 3 VAL CB 1 1
6 1075 1 1 3 VAL CG1 C 2.289 6.014 -2.688 1.00 . A A . 3 VAL CG1 1 1
6 1076 1 1 3 VAL CG2 C -0.203 5.971 -2.910 1.00 . A A . 3 VAL CG2 1 1
6 1077 1 1 3 VAL H H -0.230 4.893 0.221 1.00 . A A . 3 VAL H 1 1
6 1078 1 1 3 VAL HA H 0.758 3.625 -2.296 1.00 . A A . 3 VAL HA 1 1
6 1079 1 1 3 VAL HB H 0.888 6.386 -1.104 1.00 . A A . 3 VAL HB 1 1
6 1080 1 1 3 VAL HG11 H 2.599 5.131 -3.227 1.00 . A A . 3 VAL HG11 1 1
6 1081 1 1 3 VAL HG12 H 2.147 6.830 -3.383 1.00 . A A . 3 VAL HG12 1 1
6 1082 1 1 3 VAL HG13 H 3.050 6.281 -1.969 1.00 . A A . 3 VAL HG13 1 1
6 1083 1 1 3 VAL HG21 H -0.317 5.120 -3.563 1.00 . A A . 3 VAL HG21 1 1
6 1084 1 1 3 VAL HG22 H -1.108 6.109 -2.337 1.00 . A A . 3 VAL HG22 1 1
6 1085 1 1 3 VAL HG23 H -0.014 6.855 -3.503 1.00 . A A . 3 VAL HG23 1 1
6 1086 1 1 3 VAL N N -0.170 4.228 -0.497 1.00 . A A . 3 VAL N 1 1
6 1087 1 1 3 VAL O O 3.336 4.051 -1.383 1.00 . A A . 3 VAL O 1 1
6 1088 1 1 4 VAL C C 3.636 1.548 1.022 1.00 . A A . 4 VAL C 1 1
6 1089 1 1 4 VAL CA C 3.433 3.052 1.126 1.00 . A A . 4 VAL CA 1 1
6 1090 1 1 4 VAL CB C 3.199 3.452 2.587 1.00 . A A . 4 VAL CB 1 1
6 1091 1 1 4 VAL CG1 C 1.796 3.028 3.025 1.00 . A A . 4 VAL CG1 1 1
6 1092 1 1 4 VAL CG2 C 4.228 2.766 3.492 1.00 . A A . 4 VAL CG2 1 1
6 1093 1 1 4 VAL H H 1.323 3.358 0.805 1.00 . A A . 4 VAL H 1 1
6 1094 1 1 4 VAL HA H 4.290 3.575 0.734 1.00 . A A . 4 VAL HA 1 1
6 1095 1 1 4 VAL HB H 3.298 4.517 2.679 1.00 . A A . 4 VAL HB 1 1
6 1096 1 1 4 VAL HG11 H 1.536 2.098 2.543 1.00 . A A . 4 VAL HG11 1 1
6 1097 1 1 4 VAL HG12 H 1.780 2.895 4.097 1.00 . A A . 4 VAL HG12 1 1
6 1098 1 1 4 VAL HG13 H 1.085 3.792 2.747 1.00 . A A . 4 VAL HG13 1 1
6 1099 1 1 4 VAL HG21 H 5.225 3.018 3.162 1.00 . A A . 4 VAL HG21 1 1
6 1100 1 1 4 VAL HG22 H 4.092 3.102 4.510 1.00 . A A . 4 VAL HG22 1 1
6 1101 1 1 4 VAL HG23 H 4.092 1.696 3.450 1.00 . A A . 4 VAL HG23 1 1
6 1102 1 1 4 VAL N N 2.197 3.453 0.391 1.00 . A A . 4 VAL N 1 1
6 1103 1 1 4 VAL O O 2.783 0.824 0.547 1.00 . A A . 4 VAL O 1 1
6 1104 1 1 5 GLN C C 5.090 -0.841 -0.051 1.00 . A A . 5 GLN C 1 1
6 1105 1 1 5 GLN CA C 5.020 -0.395 1.406 1.00 . A A . 5 GLN CA 1 1
6 1106 1 1 5 GLN CB C 3.833 -1.033 2.111 1.00 . A A . 5 GLN CB 1 1
6 1107 1 1 5 GLN CD C 3.566 -1.059 4.597 1.00 . A A . 5 GLN CD 1 1
6 1108 1 1 5 GLN CG C 4.302 -1.689 3.412 1.00 . A A . 5 GLN CG 1 1
6 1109 1 1 5 GLN H H 5.428 1.675 1.848 1.00 . A A . 5 GLN H 1 1
6 1110 1 1 5 GLN HA H 5.934 -0.640 1.924 1.00 . A A . 5 GLN HA 1 1
6 1111 1 1 5 GLN HB2 H 3.099 -0.273 2.334 1.00 . A A . 5 GLN HB2 1 1
6 1112 1 1 5 GLN HB3 H 3.397 -1.774 1.468 1.00 . A A . 5 GLN HB3 1 1
6 1113 1 1 5 GLN HE21 H 2.355 -2.614 4.861 1.00 . A A . 5 GLN HE21 1 1
6 1114 1 1 5 GLN HE22 H 2.125 -1.316 5.943 1.00 . A A . 5 GLN HE22 1 1
6 1115 1 1 5 GLN HG2 H 4.095 -2.749 3.377 1.00 . A A . 5 GLN HG2 1 1
6 1116 1 1 5 GLN HG3 H 5.365 -1.533 3.528 1.00 . A A . 5 GLN HG3 1 1
6 1117 1 1 5 GLN N N 4.759 1.069 1.469 1.00 . A A . 5 GLN N 1 1
6 1118 1 1 5 GLN NE2 N 2.603 -1.717 5.181 1.00 . A A . 5 GLN NE2 1 1
6 1119 1 1 5 GLN O O 4.672 -1.922 -0.412 1.00 . A A . 5 GLN O 1 1
6 1120 1 1 5 GLN OE1 O 3.872 0.048 4.995 1.00 . A A . 5 GLN OE1 1 1
6 1121 1 1 6 ASP C C 6.239 -1.766 -2.500 1.00 . A A . 6 ASP C 1 1
6 1122 1 1 6 ASP CA C 5.749 -0.328 -2.327 1.00 . A A . 6 ASP CA 1 1
6 1123 1 1 6 ASP CB C 6.795 0.656 -2.844 1.00 . A A . 6 ASP CB 1 1
6 1124 1 1 6 ASP CG C 6.161 2.039 -3.007 1.00 . A A . 6 ASP CG 1 1
6 1125 1 1 6 ASP H H 5.940 0.855 -0.540 1.00 . A A . 6 ASP H 1 1
6 1126 1 1 6 ASP HA H 4.813 -0.177 -2.837 1.00 . A A . 6 ASP HA 1 1
6 1127 1 1 6 ASP HB2 H 7.611 0.712 -2.139 1.00 . A A . 6 ASP HB2 1 1
6 1128 1 1 6 ASP HB3 H 7.167 0.316 -3.799 1.00 . A A . 6 ASP HB3 1 1
6 1129 1 1 6 ASP N N 5.621 -0.001 -0.878 1.00 . A A . 6 ASP N 1 1
6 1130 1 1 6 ASP O O 5.919 -2.434 -3.464 1.00 . A A . 6 ASP O 1 1
6 1131 1 1 6 ASP OD1 O 5.938 2.689 -1.998 1.00 . A A . 6 ASP OD1 1 1
6 1132 1 1 6 ASP OD2 O 5.907 2.424 -4.136 1.00 . A A . 6 ASP OD2 1 1
6 1133 1 1 7 TRP C C 6.623 -4.589 -0.879 1.00 . A A . 7 TRP C 1 1
6 1134 1 1 7 TRP CA C 7.529 -3.646 -1.660 1.00 . A A . 7 TRP CA 1 1
6 1135 1 1 7 TRP CB C 8.927 -3.631 -1.032 1.00 . A A . 7 TRP CB 1 1
6 1136 1 1 7 TRP CD1 C 9.647 -1.583 0.250 1.00 . A A . 7 TRP CD1 1 1
6 1137 1 1 7 TRP CD2 C 8.306 -2.911 1.466 1.00 . A A . 7 TRP CD2 1 1
6 1138 1 1 7 TRP CE2 C 8.644 -1.811 2.290 1.00 . A A . 7 TRP CE2 1 1
6 1139 1 1 7 TRP CE3 C 7.463 -3.898 1.999 1.00 . A A . 7 TRP CE3 1 1
6 1140 1 1 7 TRP CG C 8.961 -2.742 0.174 1.00 . A A . 7 TRP CG 1 1
6 1141 1 1 7 TRP CH2 C 7.324 -2.690 4.109 1.00 . A A . 7 TRP CH2 1 1
6 1142 1 1 7 TRP CZ2 C 8.163 -1.696 3.595 1.00 . A A . 7 TRP CZ2 1 1
6 1143 1 1 7 TRP CZ3 C 6.974 -3.788 3.313 1.00 . A A . 7 TRP CZ3 1 1
6 1144 1 1 7 TRP H H 7.243 -1.682 -0.802 1.00 . A A . 7 TRP H 1 1
6 1145 1 1 7 TRP HA H 7.593 -3.955 -2.691 1.00 . A A . 7 TRP HA 1 1
6 1146 1 1 7 TRP HB2 H 9.187 -4.634 -0.736 1.00 . A A . 7 TRP HB2 1 1
6 1147 1 1 7 TRP HB3 H 9.641 -3.277 -1.759 1.00 . A A . 7 TRP HB3 1 1
6 1148 1 1 7 TRP HD1 H 10.241 -1.162 -0.538 1.00 . A A . 7 TRP HD1 1 1
6 1149 1 1 7 TRP HE1 H 9.858 -0.188 1.814 1.00 . A A . 7 TRP HE1 1 1
6 1150 1 1 7 TRP HE3 H 7.187 -4.745 1.394 1.00 . A A . 7 TRP HE3 1 1
6 1151 1 1 7 TRP HH2 H 6.946 -2.610 5.118 1.00 . A A . 7 TRP HH2 1 1
6 1152 1 1 7 TRP HZ2 H 8.436 -0.849 4.203 1.00 . A A . 7 TRP HZ2 1 1
6 1153 1 1 7 TRP HZ3 H 6.325 -4.554 3.711 1.00 . A A . 7 TRP HZ3 1 1
6 1154 1 1 7 TRP N N 7.012 -2.245 -1.567 1.00 . A A . 7 TRP N 1 1
6 1155 1 1 7 TRP NE1 N 9.464 -1.030 1.504 1.00 . A A . 7 TRP NE1 1 1
6 1156 1 1 7 TRP O O 6.699 -5.796 -1.003 1.00 . A A . 7 TRP O 1 1
6 1157 1 1 8 GLY C C 3.424 -4.434 0.499 1.00 . A A . 8 GLY C 1 1
6 1158 1 1 8 GLY CA C 4.862 -4.888 0.739 1.00 . A A . 8 GLY CA 1 1
6 1159 1 1 8 GLY H H 5.743 -3.071 0.018 1.00 . A A . 8 GLY H 1 1
6 1160 1 1 8 GLY HA2 H 4.976 -5.921 0.445 1.00 . A A . 8 GLY HA2 1 1
6 1161 1 1 8 GLY HA3 H 5.104 -4.778 1.783 1.00 . A A . 8 GLY HA3 1 1
6 1162 1 1 8 GLY N N 5.775 -4.043 -0.067 1.00 . A A . 8 GLY N 1 1
6 1163 1 1 8 GLY O O 2.836 -3.748 1.308 1.00 . A A . 8 GLY O 1 1
6 1164 1 1 9 HIS C C 0.457 -5.203 -0.113 1.00 . A A . 9 HIS C 1 1
6 1165 1 1 9 HIS CA C 1.461 -4.369 -0.905 1.00 . A A . 9 HIS CA 1 1
6 1166 1 1 9 HIS CB C 1.279 -4.600 -2.406 1.00 . A A . 9 HIS CB 1 1
6 1167 1 1 9 HIS CD2 C 2.152 -2.161 -2.823 1.00 . A A . 9 HIS CD2 1 1
6 1168 1 1 9 HIS CE1 C 2.909 -2.432 -4.835 1.00 . A A . 9 HIS CE1 1 1
6 1169 1 1 9 HIS CG C 1.917 -3.470 -3.163 1.00 . A A . 9 HIS CG 1 1
6 1170 1 1 9 HIS H H 3.347 -5.348 -1.260 1.00 . A A . 9 HIS H 1 1
6 1171 1 1 9 HIS HA H 1.339 -3.322 -0.680 1.00 . A A . 9 HIS HA 1 1
6 1172 1 1 9 HIS HB2 H 1.746 -5.535 -2.688 1.00 . A A . 9 HIS HB2 1 1
6 1173 1 1 9 HIS HB3 H 0.224 -4.640 -2.639 1.00 . A A . 9 HIS HB3 1 1
6 1174 1 1 9 HIS HD1 H 2.394 -4.444 -4.982 1.00 . A A . 9 HIS HD1 1 1
6 1175 1 1 9 HIS HD2 H 1.895 -1.710 -1.877 1.00 . A A . 9 HIS HD2 1 1
6 1176 1 1 9 HIS HE1 H 3.362 -2.249 -5.799 1.00 . A A . 9 HIS HE1 1 1
6 1177 1 1 9 HIS N N 2.855 -4.802 -0.612 1.00 . A A . 9 HIS N 1 1
6 1178 1 1 9 HIS ND1 N 2.408 -3.622 -4.450 1.00 . A A . 9 HIS ND1 1 1
6 1179 1 1 9 HIS NE2 N 2.778 -1.508 -3.881 1.00 . A A . 9 HIS NE2 1 1
6 1180 1 1 9 HIS O O 0.786 -6.227 0.455 1.00 . A A . 9 HIS O 1 1
6 1181 1 1 10 HIS C C -3.070 -5.625 -0.169 1.00 . A A . 10 HIS C 1 1
6 1182 1 1 10 HIS CA C -1.811 -5.492 0.691 1.00 . A A . 10 HIS CA 1 1
6 1183 1 1 10 HIS CB C -2.079 -4.621 1.921 1.00 . A A . 10 HIS CB 1 1
6 1184 1 1 10 HIS CD2 C -0.085 -3.520 3.236 1.00 . A A . 10 HIS CD2 1 1
6 1185 1 1 10 HIS CE1 C 0.830 -5.334 3.992 1.00 . A A . 10 HIS CE1 1 1
6 1186 1 1 10 HIS CG C -0.843 -4.571 2.778 1.00 . A A . 10 HIS CG 1 1
6 1187 1 1 10 HIS H H -0.995 -3.925 -0.529 1.00 . A A . 10 HIS H 1 1
6 1188 1 1 10 HIS HA H -1.452 -6.464 0.995 1.00 . A A . 10 HIS HA 1 1
6 1189 1 1 10 HIS HB2 H -2.335 -3.621 1.602 1.00 . A A . 10 HIS HB2 1 1
6 1190 1 1 10 HIS HB3 H -2.895 -5.038 2.491 1.00 . A A . 10 HIS HB3 1 1
6 1191 1 1 10 HIS HD1 H -0.536 -6.638 3.120 1.00 . A A . 10 HIS HD1 1 1
6 1192 1 1 10 HIS HD2 H -0.275 -2.478 3.027 1.00 . A A . 10 HIS HD2 1 1
6 1193 1 1 10 HIS HE1 H 1.494 -6.017 4.499 1.00 . A A . 10 HIS HE1 1 1
6 1194 1 1 10 HIS N N -0.765 -4.756 -0.065 1.00 . A A . 10 HIS N 1 1
6 1195 1 1 10 HIS ND1 N -0.240 -5.717 3.272 1.00 . A A . 10 HIS ND1 1 1
6 1196 1 1 10 HIS NE2 N 0.971 -4.006 4.004 1.00 . A A . 10 HIS NE2 1 1
6 1197 1 1 10 HIS O O -3.201 -6.544 -0.953 1.00 . A A . 10 HIS O 1 1
6 1198 1 1 11 ARG C C -6.111 -3.558 -0.600 1.00 . A A . 11 ARG C 1 1
6 1199 1 1 11 ARG CA C -5.233 -4.784 -0.861 1.00 . A A . 11 ARG CA 1 1
6 1200 1 1 11 ARG CB C -5.940 -6.059 -0.403 1.00 . A A . 11 ARG CB 1 1
6 1201 1 1 11 ARG CD C -5.958 -7.295 1.764 1.00 . A A . 11 ARG CD 1 1
6 1202 1 1 11 ARG CG C -6.261 -5.957 1.088 1.00 . A A . 11 ARG CG 1 1
6 1203 1 1 11 ARG CZ C -6.959 -7.559 3.949 1.00 . A A . 11 ARG CZ 1 1
6 1204 1 1 11 ARG H H -3.866 -3.972 0.590 1.00 . A A . 11 ARG H 1 1
6 1205 1 1 11 ARG HA H -4.988 -4.854 -1.909 1.00 . A A . 11 ARG HA 1 1
6 1206 1 1 11 ARG HB2 H -6.857 -6.181 -0.962 1.00 . A A . 11 ARG HB2 1 1
6 1207 1 1 11 ARG HB3 H -5.297 -6.908 -0.574 1.00 . A A . 11 ARG HB3 1 1
6 1208 1 1 11 ARG HD2 H -6.700 -8.032 1.485 1.00 . A A . 11 ARG HD2 1 1
6 1209 1 1 11 ARG HD3 H -4.969 -7.636 1.500 1.00 . A A . 11 ARG HD3 1 1
6 1210 1 1 11 ARG HE H -5.374 -6.409 3.636 1.00 . A A . 11 ARG HE 1 1
6 1211 1 1 11 ARG HG2 H -5.656 -5.181 1.533 1.00 . A A . 11 ARG HG2 1 1
6 1212 1 1 11 ARG HG3 H -7.306 -5.719 1.217 1.00 . A A . 11 ARG HG3 1 1
6 1213 1 1 11 ARG HH11 H -8.459 -6.884 2.806 1.00 . A A . 11 ARG HH11 1 1
6 1214 1 1 11 ARG HH12 H -8.929 -7.838 4.181 1.00 . A A . 11 ARG HH12 1 1
6 1215 1 1 11 ARG HH21 H -5.674 -8.363 5.256 1.00 . A A . 11 ARG HH21 1 1
6 1216 1 1 11 ARG HH22 H -7.349 -8.678 5.561 1.00 . A A . 11 ARG HH22 1 1
6 1217 1 1 11 ARG N N -3.992 -4.710 -0.041 1.00 . A A . 11 ARG N 1 1
6 1218 1 1 11 ARG NE N -6.027 -7.010 3.221 1.00 . A A . 11 ARG NE 1 1
6 1219 1 1 11 ARG NH1 N -8.213 -7.418 3.620 1.00 . A A . 11 ARG NH1 1 1
6 1220 1 1 11 ARG NH2 N -6.635 -8.254 5.004 1.00 . A A . 11 ARG NH2 1 1
6 1221 1 1 11 ARG O O -7.272 -3.675 -0.260 1.00 . A A . 11 ARG O 1 1
6 1222 1 1 12 CYS C C -7.264 -0.867 -1.739 1.00 . A A . 12 CYS C 1 1
6 1223 1 1 12 CYS CA C -6.374 -1.152 -0.526 1.00 . A A . 12 CYS CA 1 1
6 1224 1 1 12 CYS CB C -5.345 -0.034 -0.344 1.00 . A A . 12 CYS CB 1 1
6 1225 1 1 12 CYS H H -4.631 -2.311 -1.038 1.00 . A A . 12 CYS H 1 1
6 1226 1 1 12 CYS HA H -6.970 -1.254 0.367 1.00 . A A . 12 CYS HA 1 1
6 1227 1 1 12 CYS HB2 H -4.610 -0.089 -1.136 1.00 . A A . 12 CYS HB2 1 1
6 1228 1 1 12 CYS HB3 H -5.846 0.924 -0.383 1.00 . A A . 12 CYS HB3 1 1
6 1229 1 1 12 CYS N N -5.568 -2.384 -0.761 1.00 . A A . 12 CYS N 1 1
6 1230 1 1 12 CYS O O -7.945 0.137 -1.799 1.00 . A A . 12 CYS O 1 1
6 1231 1 1 12 CYS SG S -4.520 -0.216 1.257 1.00 . A A . 12 CYS SG 1 1
6 1232 1 1 13 THR C C -8.285 -2.836 -4.682 1.00 . A A . 13 THR C 1 1
6 1233 1 1 13 THR CA C -8.102 -1.522 -3.918 1.00 . A A . 13 THR CA 1 1
6 1234 1 1 13 THR CB C -7.319 -0.508 -4.759 1.00 . A A . 13 THR CB 1 1
6 1235 1 1 13 THR CG2 C -7.816 -0.533 -6.207 1.00 . A A . 13 THR CG2 1 1
6 1236 1 1 13 THR H H -6.702 -2.545 -2.640 1.00 . A A . 13 THR H 1 1
6 1237 1 1 13 THR HA H -9.060 -1.108 -3.643 1.00 . A A . 13 THR HA 1 1
6 1238 1 1 13 THR HB H -6.270 -0.761 -4.739 1.00 . A A . 13 THR HB 1 1
6 1239 1 1 13 THR HG1 H -7.033 0.835 -3.381 1.00 . A A . 13 THR HG1 1 1
6 1240 1 1 13 THR HG21 H -8.819 -0.933 -6.239 1.00 . A A . 13 THR HG21 1 1
6 1241 1 1 13 THR HG22 H -7.817 0.472 -6.605 1.00 . A A . 13 THR HG22 1 1
6 1242 1 1 13 THR HG23 H -7.161 -1.153 -6.802 1.00 . A A . 13 THR HG23 1 1
6 1243 1 1 13 THR N N -7.260 -1.743 -2.708 1.00 . A A . 13 THR N 1 1
6 1244 1 1 13 THR O O -7.326 -3.434 -5.132 1.00 . A A . 13 THR O 1 1
6 1245 1 1 13 THR OG1 O -7.503 0.791 -4.218 1.00 . A A . 13 THR OG1 1 1
6 1246 1 1 14 NH2 HN1 H -10.264 -2.834 -4.486 1.00 . A A . 14 NH2 HN1 1 1
6 1247 1 1 14 NH2 HN2 H -9.614 -4.162 -5.337 1.00 . A A . 14 NH2 HN2 1 1
6 1248 1 1 14 NH2 N N -9.487 -3.317 -4.849 1.00 . A A . 14 NH2 N 1 1
7 1249 1 1 1 ILE C C -3.599 5.648 0.285 1.00 . A A . 1 ILE C 1 1
7 1250 1 1 1 ILE CA C -4.643 6.622 -0.281 1.00 . A A . 1 ILE CA 1 1
7 1251 1 1 1 ILE CB C -5.401 7.379 0.828 1.00 . A A . 1 ILE CB 1 1
7 1252 1 1 1 ILE CD1 C -3.457 8.792 1.520 1.00 . A A . 1 ILE CD1 1 1
7 1253 1 1 1 ILE CG1 C -4.862 8.809 0.917 1.00 . A A . 1 ILE CG1 1 1
7 1254 1 1 1 ILE CG2 C -5.232 6.686 2.187 1.00 . A A . 1 ILE CG2 1 1
7 1255 1 1 1 ILE H1 H -5.301 4.971 -1.367 1.00 . A A . 1 ILE H1 1 1
7 1256 1 1 1 ILE H2 H -6.489 5.660 -0.371 1.00 . A A . 1 ILE H2 1 1
7 1257 1 1 1 ILE H3 H -6.039 6.435 -1.815 1.00 . A A . 1 ILE H3 1 1
7 1258 1 1 1 ILE HA H -4.169 7.328 -0.945 1.00 . A A . 1 ILE HA 1 1
7 1259 1 1 1 ILE HB H -6.451 7.412 0.578 1.00 . A A . 1 ILE HB 1 1
7 1260 1 1 1 ILE HD11 H -3.016 7.818 1.378 1.00 . A A . 1 ILE HD11 1 1
7 1261 1 1 1 ILE HD12 H -2.846 9.538 1.034 1.00 . A A . 1 ILE HD12 1 1
7 1262 1 1 1 ILE HD13 H -3.516 9.009 2.577 1.00 . A A . 1 ILE HD13 1 1
7 1263 1 1 1 ILE HG12 H -4.824 9.240 -0.072 1.00 . A A . 1 ILE HG12 1 1
7 1264 1 1 1 ILE HG13 H -5.515 9.400 1.544 1.00 . A A . 1 ILE HG13 1 1
7 1265 1 1 1 ILE HG21 H -5.390 5.624 2.071 1.00 . A A . 1 ILE HG21 1 1
7 1266 1 1 1 ILE HG22 H -4.235 6.863 2.560 1.00 . A A . 1 ILE HG22 1 1
7 1267 1 1 1 ILE HG23 H -5.955 7.084 2.885 1.00 . A A . 1 ILE HG23 1 1
7 1268 1 1 1 ILE N N -5.698 5.865 -1.013 1.00 . A A . 1 ILE N 1 1
7 1269 1 1 1 ILE O O -2.457 6.002 0.505 1.00 . A A . 1 ILE O 1 1
7 1270 1 1 2 CYS C C -1.987 3.052 -0.016 1.00 . A A . 2 CYS C 1 1
7 1271 1 1 2 CYS CA C -3.008 3.427 1.058 1.00 . A A . 2 CYS CA 1 1
7 1272 1 1 2 CYS CB C -3.845 2.208 1.440 1.00 . A A . 2 CYS CB 1 1
7 1273 1 1 2 CYS H H -4.905 4.156 0.328 1.00 . A A . 2 CYS H 1 1
7 1274 1 1 2 CYS HA H -2.512 3.822 1.931 1.00 . A A . 2 CYS HA 1 1
7 1275 1 1 2 CYS HB2 H -3.187 1.405 1.734 1.00 . A A . 2 CYS HB2 1 1
7 1276 1 1 2 CYS HB3 H -4.497 2.460 2.262 1.00 . A A . 2 CYS HB3 1 1
7 1277 1 1 2 CYS N N -3.982 4.422 0.516 1.00 . A A . 2 CYS N 1 1
7 1278 1 1 2 CYS O O -2.308 2.398 -0.990 1.00 . A A . 2 CYS O 1 1
7 1279 1 1 2 CYS SG S -4.837 1.686 0.018 1.00 . A A . 2 CYS SG 1 1
7 1280 1 1 3 VAL C C 1.619 2.836 -0.186 1.00 . A A . 3 VAL C 1 1
7 1281 1 1 3 VAL CA C 0.286 3.128 -0.864 1.00 . A A . 3 VAL CA 1 1
7 1282 1 1 3 VAL CB C 0.400 4.378 -1.729 1.00 . A A . 3 VAL CB 1 1
7 1283 1 1 3 VAL CG1 C 1.618 4.257 -2.644 1.00 . A A . 3 VAL CG1 1 1
7 1284 1 1 3 VAL CG2 C -0.862 4.539 -2.581 1.00 . A A . 3 VAL CG2 1 1
7 1285 1 1 3 VAL H H -0.528 3.983 0.945 1.00 . A A . 3 VAL H 1 1
7 1286 1 1 3 VAL HA H -0.021 2.291 -1.452 1.00 . A A . 3 VAL HA 1 1
7 1287 1 1 3 VAL HB H 0.516 5.237 -1.085 1.00 . A A . 3 VAL HB 1 1
7 1288 1 1 3 VAL HG11 H 1.876 3.216 -2.766 1.00 . A A . 3 VAL HG11 1 1
7 1289 1 1 3 VAL HG12 H 1.389 4.688 -3.609 1.00 . A A . 3 VAL HG12 1 1
7 1290 1 1 3 VAL HG13 H 2.452 4.784 -2.203 1.00 . A A . 3 VAL HG13 1 1
7 1291 1 1 3 VAL HG21 H -1.692 4.052 -2.095 1.00 . A A . 3 VAL HG21 1 1
7 1292 1 1 3 VAL HG22 H -1.084 5.589 -2.703 1.00 . A A . 3 VAL HG22 1 1
7 1293 1 1 3 VAL HG23 H -0.701 4.091 -3.550 1.00 . A A . 3 VAL HG23 1 1
7 1294 1 1 3 VAL N N -0.761 3.460 0.151 1.00 . A A . 3 VAL N 1 1
7 1295 1 1 3 VAL O O 2.653 2.748 -0.818 1.00 . A A . 3 VAL O 1 1
7 1296 1 1 4 VAL C C 3.526 1.148 1.302 1.00 . A A . 4 VAL C 1 1
7 1297 1 1 4 VAL CA C 2.854 2.410 1.845 1.00 . A A . 4 VAL CA 1 1
7 1298 1 1 4 VAL CB C 2.444 2.225 3.314 1.00 . A A . 4 VAL CB 1 1
7 1299 1 1 4 VAL CG1 C 1.106 1.487 3.405 1.00 . A A . 4 VAL CG1 1 1
7 1300 1 1 4 VAL CG2 C 3.510 1.417 4.058 1.00 . A A . 4 VAL CG2 1 1
7 1301 1 1 4 VAL H H 0.742 2.777 1.560 1.00 . A A . 4 VAL H 1 1
7 1302 1 1 4 VAL HA H 3.526 3.250 1.761 1.00 . A A . 4 VAL HA 1 1
7 1303 1 1 4 VAL HB H 2.350 3.195 3.774 1.00 . A A . 4 VAL HB 1 1
7 1304 1 1 4 VAL HG11 H 1.027 0.784 2.589 1.00 . A A . 4 VAL HG11 1 1
7 1305 1 1 4 VAL HG12 H 1.050 0.958 4.344 1.00 . A A . 4 VAL HG12 1 1
7 1306 1 1 4 VAL HG13 H 0.297 2.200 3.344 1.00 . A A . 4 VAL HG13 1 1
7 1307 1 1 4 VAL HG21 H 3.671 0.479 3.546 1.00 . A A . 4 VAL HG21 1 1
7 1308 1 1 4 VAL HG22 H 4.432 1.976 4.086 1.00 . A A . 4 VAL HG22 1 1
7 1309 1 1 4 VAL HG23 H 3.175 1.222 5.067 1.00 . A A . 4 VAL HG23 1 1
7 1310 1 1 4 VAL N N 1.593 2.693 1.095 1.00 . A A . 4 VAL N 1 1
7 1311 1 1 4 VAL O O 2.939 0.379 0.571 1.00 . A A . 4 VAL O 1 1
7 1312 1 1 5 GLN C C 5.240 -0.461 -0.318 1.00 . A A . 5 GLN C 1 1
7 1313 1 1 5 GLN CA C 5.509 -0.248 1.167 1.00 . A A . 5 GLN CA 1 1
7 1314 1 1 5 GLN CB C 4.988 -1.425 1.978 1.00 . A A . 5 GLN CB 1 1
7 1315 1 1 5 GLN CD C 5.523 -2.805 3.997 1.00 . A A . 5 GLN CD 1 1
7 1316 1 1 5 GLN CG C 5.623 -1.411 3.372 1.00 . A A . 5 GLN CG 1 1
7 1317 1 1 5 GLN H H 5.214 1.592 2.237 1.00 . A A . 5 GLN H 1 1
7 1318 1 1 5 GLN HA H 6.566 -0.125 1.339 1.00 . A A . 5 GLN HA 1 1
7 1319 1 1 5 GLN HB2 H 3.915 -1.354 2.065 1.00 . A A . 5 GLN HB2 1 1
7 1320 1 1 5 GLN HB3 H 5.251 -2.340 1.472 1.00 . A A . 5 GLN HB3 1 1
7 1321 1 1 5 GLN HE21 H 7.107 -2.550 5.175 1.00 . A A . 5 GLN HE21 1 1
7 1322 1 1 5 GLN HE22 H 6.334 -4.065 5.305 1.00 . A A . 5 GLN HE22 1 1
7 1323 1 1 5 GLN HG2 H 6.663 -1.126 3.291 1.00 . A A . 5 GLN HG2 1 1
7 1324 1 1 5 GLN HG3 H 5.104 -0.702 3.997 1.00 . A A . 5 GLN HG3 1 1
7 1325 1 1 5 GLN N N 4.765 0.947 1.656 1.00 . A A . 5 GLN N 1 1
7 1326 1 1 5 GLN NE2 N 6.393 -3.171 4.900 1.00 . A A . 5 GLN NE2 1 1
7 1327 1 1 5 GLN O O 4.244 -1.032 -0.717 1.00 . A A . 5 GLN O 1 1
7 1328 1 1 5 GLN OE1 O 4.644 -3.572 3.658 1.00 . A A . 5 GLN OE1 1 1
7 1329 1 1 6 ASP C C 6.026 -1.627 -2.991 1.00 . A A . 6 ASP C 1 1
7 1330 1 1 6 ASP CA C 5.971 -0.150 -2.605 1.00 . A A . 6 ASP CA 1 1
7 1331 1 1 6 ASP CB C 7.154 0.601 -3.211 1.00 . A A . 6 ASP CB 1 1
7 1332 1 1 6 ASP CG C 6.950 2.106 -3.035 1.00 . A A . 6 ASP CG 1 1
7 1333 1 1 6 ASP H H 6.918 0.448 -0.761 1.00 . A A . 6 ASP H 1 1
7 1334 1 1 6 ASP HA H 5.045 0.292 -2.931 1.00 . A A . 6 ASP HA 1 1
7 1335 1 1 6 ASP HB2 H 8.064 0.299 -2.712 1.00 . A A . 6 ASP HB2 1 1
7 1336 1 1 6 ASP HB3 H 7.228 0.369 -4.262 1.00 . A A . 6 ASP HB3 1 1
7 1337 1 1 6 ASP N N 6.133 0.001 -1.130 1.00 . A A . 6 ASP N 1 1
7 1338 1 1 6 ASP O O 5.252 -2.103 -3.798 1.00 . A A . 6 ASP O 1 1
7 1339 1 1 6 ASP OD1 O 6.952 2.557 -1.901 1.00 . A A . 6 ASP OD1 1 1
7 1340 1 1 6 ASP OD2 O 6.795 2.783 -4.038 1.00 . A A . 6 ASP OD2 1 1
7 1341 1 1 7 TRP C C 6.242 -4.623 -1.733 1.00 . A A . 7 TRP C 1 1
7 1342 1 1 7 TRP CA C 7.055 -3.805 -2.732 1.00 . A A . 7 TRP CA 1 1
7 1343 1 1 7 TRP CB C 8.544 -4.139 -2.614 1.00 . A A . 7 TRP CB 1 1
7 1344 1 1 7 TRP CD1 C 9.995 -2.468 -1.391 1.00 . A A . 7 TRP CD1 1 1
7 1345 1 1 7 TRP CD2 C 8.907 -3.850 0.009 1.00 . A A . 7 TRP CD2 1 1
7 1346 1 1 7 TRP CE2 C 9.679 -2.981 0.817 1.00 . A A . 7 TRP CE2 1 1
7 1347 1 1 7 TRP CE3 C 8.122 -4.823 0.647 1.00 . A A . 7 TRP CE3 1 1
7 1348 1 1 7 TRP CG C 9.128 -3.507 -1.388 1.00 . A A . 7 TRP CG 1 1
7 1349 1 1 7 TRP CH2 C 8.885 -4.052 2.828 1.00 . A A . 7 TRP CH2 1 1
7 1350 1 1 7 TRP CZ2 C 9.671 -3.076 2.209 1.00 . A A . 7 TRP CZ2 1 1
7 1351 1 1 7 TRP CZ3 C 8.110 -4.923 2.048 1.00 . A A . 7 TRP CZ3 1 1
7 1352 1 1 7 TRP H H 7.541 -1.937 -1.765 1.00 . A A . 7 TRP H 1 1
7 1353 1 1 7 TRP HA H 6.715 -3.997 -3.737 1.00 . A A . 7 TRP HA 1 1
7 1354 1 1 7 TRP HB2 H 8.662 -5.209 -2.550 1.00 . A A . 7 TRP HB2 1 1
7 1355 1 1 7 TRP HB3 H 9.062 -3.774 -3.487 1.00 . A A . 7 TRP HB3 1 1
7 1356 1 1 7 TRP HD1 H 10.369 -1.967 -2.269 1.00 . A A . 7 TRP HD1 1 1
7 1357 1 1 7 TRP HE1 H 10.938 -1.443 0.191 1.00 . A A . 7 TRP HE1 1 1
7 1358 1 1 7 TRP HE3 H 7.521 -5.496 0.056 1.00 . A A . 7 TRP HE3 1 1
7 1359 1 1 7 TRP HH2 H 8.873 -4.134 3.905 1.00 . A A . 7 TRP HH2 1 1
7 1360 1 1 7 TRP HZ2 H 10.271 -2.403 2.804 1.00 . A A . 7 TRP HZ2 1 1
7 1361 1 1 7 TRP HZ3 H 7.503 -5.676 2.529 1.00 . A A . 7 TRP HZ3 1 1
7 1362 1 1 7 TRP N N 6.938 -2.351 -2.413 1.00 . A A . 7 TRP N 1 1
7 1363 1 1 7 TRP NE1 N 10.325 -2.157 -0.083 1.00 . A A . 7 TRP NE1 1 1
7 1364 1 1 7 TRP O O 5.945 -5.781 -1.951 1.00 . A A . 7 TRP O 1 1
7 1365 1 1 8 GLY C C 3.694 -4.120 0.501 1.00 . A A . 8 GLY C 1 1
7 1366 1 1 8 GLY CA C 5.085 -4.750 0.389 1.00 . A A . 8 GLY CA 1 1
7 1367 1 1 8 GLY H H 6.134 -3.091 -0.489 1.00 . A A . 8 GLY H 1 1
7 1368 1 1 8 GLY HA2 H 4.990 -5.787 0.099 1.00 . A A . 8 GLY HA2 1 1
7 1369 1 1 8 GLY HA3 H 5.584 -4.685 1.342 1.00 . A A . 8 GLY HA3 1 1
7 1370 1 1 8 GLY N N 5.881 -4.023 -0.636 1.00 . A A . 8 GLY N 1 1
7 1371 1 1 8 GLY O O 3.374 -3.469 1.476 1.00 . A A . 8 GLY O 1 1
7 1372 1 1 9 HIS C C 0.591 -4.597 0.454 1.00 . A A . 9 HIS C 1 1
7 1373 1 1 9 HIS CA C 1.489 -3.731 -0.436 1.00 . A A . 9 HIS CA 1 1
7 1374 1 1 9 HIS CB C 0.984 -3.758 -1.882 1.00 . A A . 9 HIS CB 1 1
7 1375 1 1 9 HIS CD2 C 1.825 -1.275 -2.104 1.00 . A A . 9 HIS CD2 1 1
7 1376 1 1 9 HIS CE1 C 1.568 -1.049 -4.245 1.00 . A A . 9 HIS CE1 1 1
7 1377 1 1 9 HIS CG C 1.336 -2.469 -2.575 1.00 . A A . 9 HIS CG 1 1
7 1378 1 1 9 HIS H H 3.144 -4.843 -1.263 1.00 . A A . 9 HIS H 1 1
7 1379 1 1 9 HIS HA H 1.520 -2.718 -0.072 1.00 . A A . 9 HIS HA 1 1
7 1380 1 1 9 HIS HB2 H 1.443 -4.586 -2.407 1.00 . A A . 9 HIS HB2 1 1
7 1381 1 1 9 HIS HB3 H -0.091 -3.883 -1.883 1.00 . A A . 9 HIS HB3 1 1
7 1382 1 1 9 HIS HD1 H 0.850 -2.973 -4.575 1.00 . A A . 9 HIS HD1 1 1
7 1383 1 1 9 HIS HD2 H 2.058 -1.062 -1.073 1.00 . A A . 9 HIS HD2 1 1
7 1384 1 1 9 HIS HE1 H 1.553 -0.634 -5.243 1.00 . A A . 9 HIS HE1 1 1
7 1385 1 1 9 HIS N N 2.865 -4.313 -0.488 1.00 . A A . 9 HIS N 1 1
7 1386 1 1 9 HIS ND1 N 1.181 -2.301 -3.943 1.00 . A A . 9 HIS ND1 1 1
7 1387 1 1 9 HIS NE2 N 1.969 -0.380 -3.162 1.00 . A A . 9 HIS NE2 1 1
7 1388 1 1 9 HIS O O 1.037 -5.557 1.052 1.00 . A A . 9 HIS O 1 1
7 1389 1 1 10 HIS C C -2.792 -5.564 0.582 1.00 . A A . 10 HIS C 1 1
7 1390 1 1 10 HIS CA C -1.590 -5.080 1.401 1.00 . A A . 10 HIS CA 1 1
7 1391 1 1 10 HIS CB C -2.037 -4.136 2.519 1.00 . A A . 10 HIS CB 1 1
7 1392 1 1 10 HIS CD2 C -0.670 -2.941 4.418 1.00 . A A . 10 HIS CD2 1 1
7 1393 1 1 10 HIS CE1 C 1.019 -4.297 4.492 1.00 . A A . 10 HIS CE1 1 1
7 1394 1 1 10 HIS CG C -0.900 -3.916 3.479 1.00 . A A . 10 HIS CG 1 1
7 1395 1 1 10 HIS H H -1.014 -3.492 0.059 1.00 . A A . 10 HIS H 1 1
7 1396 1 1 10 HIS HA H -1.064 -5.921 1.822 1.00 . A A . 10 HIS HA 1 1
7 1397 1 1 10 HIS HB2 H -2.337 -3.189 2.092 1.00 . A A . 10 HIS HB2 1 1
7 1398 1 1 10 HIS HB3 H -2.872 -4.574 3.046 1.00 . A A . 10 HIS HB3 1 1
7 1399 1 1 10 HIS HD1 H 0.333 -5.571 2.998 1.00 . A A . 10 HIS HD1 1 1
7 1400 1 1 10 HIS HD2 H -1.332 -2.115 4.631 1.00 . A A . 10 HIS HD2 1 1
7 1401 1 1 10 HIS HE1 H 1.956 -4.761 4.763 1.00 . A A . 10 HIS HE1 1 1
7 1402 1 1 10 HIS N N -0.671 -4.268 0.548 1.00 . A A . 10 HIS N 1 1
7 1403 1 1 10 HIS ND1 N 0.190 -4.770 3.543 1.00 . A A . 10 HIS ND1 1 1
7 1404 1 1 10 HIS NE2 N 0.543 -3.184 5.056 1.00 . A A . 10 HIS NE2 1 1
7 1405 1 1 10 HIS O O -2.701 -6.528 -0.152 1.00 . A A . 10 HIS O 1 1
7 1406 1 1 11 ARG C C -6.085 -4.182 -0.265 1.00 . A A . 11 ARG C 1 1
7 1407 1 1 11 ARG CA C -5.113 -5.350 -0.081 1.00 . A A . 11 ARG CA 1 1
7 1408 1 1 11 ARG CB C -5.752 -6.458 0.759 1.00 . A A . 11 ARG CB 1 1
7 1409 1 1 11 ARG CD C -6.890 -6.816 2.956 1.00 . A A . 11 ARG CD 1 1
7 1410 1 1 11 ARG CG C -5.805 -6.023 2.224 1.00 . A A . 11 ARG CG 1 1
7 1411 1 1 11 ARG CZ C -6.821 -8.801 4.335 1.00 . A A . 11 ARG CZ 1 1
7 1412 1 1 11 ARG H H -3.981 -4.136 1.292 1.00 . A A . 11 ARG H 1 1
7 1413 1 1 11 ARG HA H -4.813 -5.744 -1.040 1.00 . A A . 11 ARG HA 1 1
7 1414 1 1 11 ARG HB2 H -6.755 -6.646 0.402 1.00 . A A . 11 ARG HB2 1 1
7 1415 1 1 11 ARG HB3 H -5.164 -7.359 0.674 1.00 . A A . 11 ARG HB3 1 1
7 1416 1 1 11 ARG HD2 H -7.419 -6.176 3.649 1.00 . A A . 11 ARG HD2 1 1
7 1417 1 1 11 ARG HD3 H -7.576 -7.256 2.252 1.00 . A A . 11 ARG HD3 1 1
7 1418 1 1 11 ARG HE H -5.177 -7.895 3.689 1.00 . A A . 11 ARG HE 1 1
7 1419 1 1 11 ARG HG2 H -4.845 -6.209 2.688 1.00 . A A . 11 ARG HG2 1 1
7 1420 1 1 11 ARG HG3 H -6.034 -4.969 2.279 1.00 . A A . 11 ARG HG3 1 1
7 1421 1 1 11 ARG HH11 H -8.135 -7.514 5.124 1.00 . A A . 11 ARG HH11 1 1
7 1422 1 1 11 ARG HH12 H -8.364 -9.174 5.555 1.00 . A A . 11 ARG HH12 1 1
7 1423 1 1 11 ARG HH21 H -5.667 -10.306 3.691 1.00 . A A . 11 ARG HH21 1 1
7 1424 1 1 11 ARG HH22 H -6.967 -10.755 4.752 1.00 . A A . 11 ARG HH22 1 1
7 1425 1 1 11 ARG N N -3.919 -4.911 0.697 1.00 . A A . 11 ARG N 1 1
7 1426 1 1 11 ARG NE N -6.157 -7.884 3.690 1.00 . A A . 11 ARG NE 1 1
7 1427 1 1 11 ARG NH1 N -7.853 -8.471 5.062 1.00 . A A . 11 ARG NH1 1 1
7 1428 1 1 11 ARG NH2 N -6.457 -10.052 4.252 1.00 . A A . 11 ARG NH2 1 1
7 1429 1 1 11 ARG O O -7.221 -4.230 0.163 1.00 . A A . 11 ARG O 1 1
7 1430 1 1 12 CYS C C -7.510 -2.249 -2.278 1.00 . A A . 12 CYS C 1 1
7 1431 1 1 12 CYS CA C -6.536 -1.961 -1.126 1.00 . A A . 12 CYS CA 1 1
7 1432 1 1 12 CYS CB C -5.589 -0.817 -1.486 1.00 . A A . 12 CYS CB 1 1
7 1433 1 1 12 CYS H H -4.725 -3.119 -1.242 1.00 . A A . 12 CYS H 1 1
7 1434 1 1 12 CYS HA H -7.078 -1.721 -0.223 1.00 . A A . 12 CYS HA 1 1
7 1435 1 1 12 CYS HB2 H -4.907 -1.145 -2.260 1.00 . A A . 12 CYS HB2 1 1
7 1436 1 1 12 CYS HB3 H -6.164 0.026 -1.845 1.00 . A A . 12 CYS HB3 1 1
7 1437 1 1 12 CYS N N -5.644 -3.134 -0.905 1.00 . A A . 12 CYS N 1 1
7 1438 1 1 12 CYS O O -8.544 -2.859 -2.090 1.00 . A A . 12 CYS O 1 1
7 1439 1 1 12 CYS SG S -4.645 -0.325 -0.024 1.00 . A A . 12 CYS SG 1 1
7 1440 1 1 13 THR C C -7.301 -2.245 -5.916 1.00 . A A . 13 THR C 1 1
7 1441 1 1 13 THR CA C -8.103 -2.063 -4.621 1.00 . A A . 13 THR CA 1 1
7 1442 1 1 13 THR CB C -8.993 -0.815 -4.687 1.00 . A A . 13 THR CB 1 1
7 1443 1 1 13 THR CG2 C -8.353 0.260 -5.574 1.00 . A A . 13 THR CG2 1 1
7 1444 1 1 13 THR H H -6.356 -1.320 -3.603 1.00 . A A . 13 THR H 1 1
7 1445 1 1 13 THR HA H -8.711 -2.933 -4.434 1.00 . A A . 13 THR HA 1 1
7 1446 1 1 13 THR HB H -9.116 -0.422 -3.693 1.00 . A A . 13 THR HB 1 1
7 1447 1 1 13 THR HG1 H -10.935 -0.874 -4.594 1.00 . A A . 13 THR HG1 1 1
7 1448 1 1 13 THR HG21 H -7.313 0.375 -5.308 1.00 . A A . 13 THR HG21 1 1
7 1449 1 1 13 THR HG22 H -8.430 -0.038 -6.610 1.00 . A A . 13 THR HG22 1 1
7 1450 1 1 13 THR HG23 H -8.869 1.198 -5.429 1.00 . A A . 13 THR HG23 1 1
7 1451 1 1 13 THR N N -7.190 -1.813 -3.468 1.00 . A A . 13 THR N 1 1
7 1452 1 1 13 THR O O -7.866 -2.383 -6.983 1.00 . A A . 13 THR O 1 1
7 1453 1 1 13 THR OG1 O -10.262 -1.171 -5.213 1.00 . A A . 13 THR OG1 1 1
7 1454 1 1 14 NH2 HN1 H -5.537 -2.123 -5.010 1.00 . A A . 14 NH2 HN1 1 1
7 1455 1 1 14 NH2 HN2 H -5.484 -2.331 -6.697 1.00 . A A . 14 NH2 HN2 1 1
7 1456 1 1 14 NH2 N N -6.000 -2.234 -5.870 1.00 . A A . 14 NH2 N 1 1
8 1457 1 1 1 ILE C C -4.015 5.199 -0.283 1.00 . A A . 1 ILE C 1 1
8 1458 1 1 1 ILE CA C -5.296 5.750 -0.909 1.00 . A A . 1 ILE CA 1 1
8 1459 1 1 1 ILE CB C -5.865 6.867 -0.035 1.00 . A A . 1 ILE CB 1 1
8 1460 1 1 1 ILE CD1 C -4.739 8.471 -1.591 1.00 . A A . 1 ILE CD1 1 1
8 1461 1 1 1 ILE CG1 C -4.956 8.095 -0.124 1.00 . A A . 1 ILE CG1 1 1
8 1462 1 1 1 ILE CG2 C -5.929 6.390 1.418 1.00 . A A . 1 ILE CG2 1 1
8 1463 1 1 1 ILE H1 H -5.995 3.855 -1.425 1.00 . A A . 1 ILE H1 1 1
8 1464 1 1 1 ILE H2 H -6.610 4.445 0.043 1.00 . A A . 1 ILE H2 1 1
8 1465 1 1 1 ILE H3 H -7.194 5.058 -1.425 1.00 . A A . 1 ILE H3 1 1
8 1466 1 1 1 ILE HA H -5.105 6.119 -1.905 1.00 . A A . 1 ILE HA 1 1
8 1467 1 1 1 ILE HB H -6.857 7.124 -0.376 1.00 . A A . 1 ILE HB 1 1
8 1468 1 1 1 ILE HD11 H -5.502 8.007 -2.198 1.00 . A A . 1 ILE HD11 1 1
8 1469 1 1 1 ILE HD12 H -4.795 9.545 -1.699 1.00 . A A . 1 ILE HD12 1 1
8 1470 1 1 1 ILE HD13 H -3.765 8.128 -1.910 1.00 . A A . 1 ILE HD13 1 1
8 1471 1 1 1 ILE HG12 H -5.416 8.922 0.397 1.00 . A A . 1 ILE HG12 1 1
8 1472 1 1 1 ILE HG13 H -4.004 7.869 0.331 1.00 . A A . 1 ILE HG13 1 1
8 1473 1 1 1 ILE HG21 H -5.454 5.425 1.504 1.00 . A A . 1 ILE HG21 1 1
8 1474 1 1 1 ILE HG22 H -5.417 7.100 2.050 1.00 . A A . 1 ILE HG22 1 1
8 1475 1 1 1 ILE HG23 H -6.961 6.311 1.726 1.00 . A A . 1 ILE HG23 1 1
8 1476 1 1 1 ILE N N -6.354 4.697 -0.932 1.00 . A A . 1 ILE N 1 1
8 1477 1 1 1 ILE O O -2.961 5.796 -0.371 1.00 . A A . 1 ILE O 1 1
8 1478 1 1 2 CYS C C -1.872 3.050 -0.049 1.00 . A A . 2 CYS C 1 1
8 1479 1 1 2 CYS CA C -2.877 3.503 1.012 1.00 . A A . 2 CYS CA 1 1
8 1480 1 1 2 CYS CB C -3.329 2.307 1.874 1.00 . A A . 2 CYS CB 1 1
8 1481 1 1 2 CYS H H -4.964 3.621 0.438 1.00 . A A . 2 CYS H 1 1
8 1482 1 1 2 CYS HA H -2.424 4.249 1.647 1.00 . A A . 2 CYS HA 1 1
8 1483 1 1 2 CYS HB2 H -2.483 1.661 2.051 1.00 . A A . 2 CYS HB2 1 1
8 1484 1 1 2 CYS HB3 H -3.696 2.674 2.821 1.00 . A A . 2 CYS HB3 1 1
8 1485 1 1 2 CYS N N -4.101 4.072 0.366 1.00 . A A . 2 CYS N 1 1
8 1486 1 1 2 CYS O O -2.095 2.106 -0.779 1.00 . A A . 2 CYS O 1 1
8 1487 1 1 2 CYS SG S -4.639 1.354 1.049 1.00 . A A . 2 CYS SG 1 1
8 1488 1 1 3 VAL C C 1.579 2.998 -0.412 1.00 . A A . 3 VAL C 1 1
8 1489 1 1 3 VAL CA C 0.283 3.352 -1.126 1.00 . A A . 3 VAL CA 1 1
8 1490 1 1 3 VAL CB C 0.469 4.601 -1.977 1.00 . A A . 3 VAL CB 1 1
8 1491 1 1 3 VAL CG1 C 1.730 4.464 -2.833 1.00 . A A . 3 VAL CG1 1 1
8 1492 1 1 3 VAL CG2 C -0.748 4.788 -2.882 1.00 . A A . 3 VAL CG2 1 1
8 1493 1 1 3 VAL H H -0.604 4.479 0.479 1.00 . A A . 3 VAL H 1 1
8 1494 1 1 3 VAL HA H -0.051 2.530 -1.725 1.00 . A A . 3 VAL HA 1 1
8 1495 1 1 3 VAL HB H 0.569 5.457 -1.325 1.00 . A A . 3 VAL HB 1 1
8 1496 1 1 3 VAL HG11 H 1.789 3.461 -3.230 1.00 . A A . 3 VAL HG11 1 1
8 1497 1 1 3 VAL HG12 H 1.690 5.172 -3.649 1.00 . A A . 3 VAL HG12 1 1
8 1498 1 1 3 VAL HG13 H 2.599 4.665 -2.226 1.00 . A A . 3 VAL HG13 1 1
8 1499 1 1 3 VAL HG21 H -1.230 3.832 -3.039 1.00 . A A . 3 VAL HG21 1 1
8 1500 1 1 3 VAL HG22 H -1.442 5.470 -2.415 1.00 . A A . 3 VAL HG22 1 1
8 1501 1 1 3 VAL HG23 H -0.431 5.191 -3.834 1.00 . A A . 3 VAL HG23 1 1
8 1502 1 1 3 VAL N N -0.758 3.725 -0.128 1.00 . A A . 3 VAL N 1 1
8 1503 1 1 3 VAL O O 2.627 2.855 -1.011 1.00 . A A . 3 VAL O 1 1
8 1504 1 1 4 VAL C C 3.346 1.234 1.163 1.00 . A A . 4 VAL C 1 1
8 1505 1 1 4 VAL CA C 2.704 2.521 1.679 1.00 . A A . 4 VAL CA 1 1
8 1506 1 1 4 VAL CB C 2.192 2.337 3.113 1.00 . A A . 4 VAL CB 1 1
8 1507 1 1 4 VAL CG1 C 0.858 1.584 3.105 1.00 . A A . 4 VAL CG1 1 1
8 1508 1 1 4 VAL CG2 C 3.211 1.542 3.935 1.00 . A A . 4 VAL CG2 1 1
8 1509 1 1 4 VAL H H 0.638 2.991 1.303 1.00 . A A . 4 VAL H 1 1
8 1510 1 1 4 VAL HA H 3.415 3.332 1.646 1.00 . A A . 4 VAL HA 1 1
8 1511 1 1 4 VAL HB H 2.054 3.308 3.562 1.00 . A A . 4 VAL HB 1 1
8 1512 1 1 4 VAL HG11 H 0.861 0.858 2.307 1.00 . A A . 4 VAL HG11 1 1
8 1513 1 1 4 VAL HG12 H 0.722 1.081 4.051 1.00 . A A . 4 VAL HG12 1 1
8 1514 1 1 4 VAL HG13 H 0.051 2.284 2.950 1.00 . A A . 4 VAL HG13 1 1
8 1515 1 1 4 VAL HG21 H 4.159 2.059 3.931 1.00 . A A . 4 VAL HG21 1 1
8 1516 1 1 4 VAL HG22 H 2.858 1.450 4.951 1.00 . A A . 4 VAL HG22 1 1
8 1517 1 1 4 VAL HG23 H 3.334 0.560 3.506 1.00 . A A . 4 VAL HG23 1 1
8 1518 1 1 4 VAL N N 1.499 2.863 0.870 1.00 . A A . 4 VAL N 1 1
8 1519 1 1 4 VAL O O 2.804 0.542 0.324 1.00 . A A . 4 VAL O 1 1
8 1520 1 1 5 GLN C C 5.093 -0.469 -0.297 1.00 . A A . 5 GLN C 1 1
8 1521 1 1 5 GLN CA C 5.207 -0.314 1.213 1.00 . A A . 5 GLN CA 1 1
8 1522 1 1 5 GLN CB C 4.498 -1.465 1.903 1.00 . A A . 5 GLN CB 1 1
8 1523 1 1 5 GLN CD C 3.738 -2.146 4.181 1.00 . A A . 5 GLN CD 1 1
8 1524 1 1 5 GLN CG C 4.862 -1.481 3.388 1.00 . A A . 5 GLN CG 1 1
8 1525 1 1 5 GLN H H 4.924 1.500 2.327 1.00 . A A . 5 GLN H 1 1
8 1526 1 1 5 GLN HA H 6.242 -0.289 1.514 1.00 . A A . 5 GLN HA 1 1
8 1527 1 1 5 GLN HB2 H 3.432 -1.348 1.788 1.00 . A A . 5 GLN HB2 1 1
8 1528 1 1 5 GLN HB3 H 4.813 -2.388 1.444 1.00 . A A . 5 GLN HB3 1 1
8 1529 1 1 5 GLN HE21 H 4.942 -3.476 5.037 1.00 . A A . 5 GLN HE21 1 1
8 1530 1 1 5 GLN HE22 H 3.297 -3.587 5.478 1.00 . A A . 5 GLN HE22 1 1
8 1531 1 1 5 GLN HG2 H 5.780 -2.036 3.527 1.00 . A A . 5 GLN HG2 1 1
8 1532 1 1 5 GLN HG3 H 4.995 -0.468 3.737 1.00 . A A . 5 GLN HG3 1 1
8 1533 1 1 5 GLN N N 4.507 0.919 1.661 1.00 . A A . 5 GLN N 1 1
8 1534 1 1 5 GLN NE2 N 4.015 -3.152 4.964 1.00 . A A . 5 GLN NE2 1 1
8 1535 1 1 5 GLN O O 4.142 -1.021 -0.811 1.00 . A A . 5 GLN O 1 1
8 1536 1 1 5 GLN OE1 O 2.594 -1.746 4.088 1.00 . A A . 5 GLN OE1 1 1
8 1537 1 1 6 ASP C C 6.418 -1.529 -2.902 1.00 . A A . 6 ASP C 1 1
8 1538 1 1 6 ASP CA C 6.047 -0.104 -2.489 1.00 . A A . 6 ASP CA 1 1
8 1539 1 1 6 ASP CB C 7.117 0.873 -2.965 1.00 . A A . 6 ASP CB 1 1
8 1540 1 1 6 ASP CG C 6.477 1.944 -3.851 1.00 . A A . 6 ASP CG 1 1
8 1541 1 1 6 ASP H H 6.812 0.438 -0.546 1.00 . A A . 6 ASP H 1 1
8 1542 1 1 6 ASP HA H 5.084 0.174 -2.886 1.00 . A A . 6 ASP HA 1 1
8 1543 1 1 6 ASP HB2 H 7.581 1.338 -2.108 1.00 . A A . 6 ASP HB2 1 1
8 1544 1 1 6 ASP HB3 H 7.864 0.337 -3.531 1.00 . A A . 6 ASP HB3 1 1
8 1545 1 1 6 ASP N N 6.064 0.009 -1.001 1.00 . A A . 6 ASP N 1 1
8 1546 1 1 6 ASP O O 6.159 -1.963 -4.006 1.00 . A A . 6 ASP O 1 1
8 1547 1 1 6 ASP OD1 O 5.831 2.824 -3.310 1.00 . A A . 6 ASP OD1 1 1
8 1548 1 1 6 ASP OD2 O 6.647 1.865 -5.057 1.00 . A A . 6 ASP OD2 1 1
8 1549 1 1 7 TRP C C 6.621 -4.621 -1.457 1.00 . A A . 7 TRP C 1 1
8 1550 1 1 7 TRP CA C 7.437 -3.654 -2.305 1.00 . A A . 7 TRP CA 1 1
8 1551 1 1 7 TRP CB C 8.918 -3.747 -1.911 1.00 . A A . 7 TRP CB 1 1
8 1552 1 1 7 TRP CD1 C 9.844 -1.651 -0.860 1.00 . A A . 7 TRP CD1 1 1
8 1553 1 1 7 TRP CD2 C 8.867 -2.995 0.645 1.00 . A A . 7 TRP CD2 1 1
8 1554 1 1 7 TRP CE2 C 9.340 -1.867 1.356 1.00 . A A . 7 TRP CE2 1 1
8 1555 1 1 7 TRP CE3 C 8.204 -4.001 1.362 1.00 . A A . 7 TRP CE3 1 1
8 1556 1 1 7 TRP CG C 9.210 -2.834 -0.759 1.00 . A A . 7 TRP CG 1 1
8 1557 1 1 7 TRP CH2 C 8.497 -2.755 3.434 1.00 . A A . 7 TRP CH2 1 1
8 1558 1 1 7 TRP CZ2 C 9.160 -1.744 2.734 1.00 . A A . 7 TRP CZ2 1 1
8 1559 1 1 7 TRP CZ3 C 8.020 -3.882 2.749 1.00 . A A . 7 TRP CZ3 1 1
8 1560 1 1 7 TRP H H 7.214 -1.866 -1.129 1.00 . A A . 7 TRP H 1 1
8 1561 1 1 7 TRP HA H 7.318 -3.873 -3.354 1.00 . A A . 7 TRP HA 1 1
8 1562 1 1 7 TRP HB2 H 9.145 -4.761 -1.626 1.00 . A A . 7 TRP HB2 1 1
8 1563 1 1 7 TRP HB3 H 9.528 -3.465 -2.753 1.00 . A A . 7 TRP HB3 1 1
8 1564 1 1 7 TRP HD1 H 10.225 -1.229 -1.769 1.00 . A A . 7 TRP HD1 1 1
8 1565 1 1 7 TRP HE1 H 10.349 -0.213 0.594 1.00 . A A . 7 TRP HE1 1 1
8 1566 1 1 7 TRP HE3 H 7.831 -4.869 0.841 1.00 . A A . 7 TRP HE3 1 1
8 1567 1 1 7 TRP HH2 H 8.353 -2.669 4.500 1.00 . A A . 7 TRP HH2 1 1
8 1568 1 1 7 TRP HZ2 H 9.530 -0.873 3.254 1.00 . A A . 7 TRP HZ2 1 1
8 1569 1 1 7 TRP HZ3 H 7.508 -4.663 3.291 1.00 . A A . 7 TRP HZ3 1 1
8 1570 1 1 7 TRP N N 7.026 -2.250 -2.007 1.00 . A A . 7 TRP N 1 1
8 1571 1 1 7 TRP NE1 N 9.929 -1.075 0.394 1.00 . A A . 7 TRP NE1 1 1
8 1572 1 1 7 TRP O O 6.615 -5.815 -1.681 1.00 . A A . 7 TRP O 1 1
8 1573 1 1 8 GLY C C 3.684 -4.467 0.426 1.00 . A A . 8 GLY C 1 1
8 1574 1 1 8 GLY CA C 5.126 -4.976 0.403 1.00 . A A . 8 GLY CA 1 1
8 1575 1 1 8 GLY H H 5.967 -3.145 -0.318 1.00 . A A . 8 GLY H 1 1
8 1576 1 1 8 GLY HA2 H 5.152 -5.988 0.028 1.00 . A A . 8 GLY HA2 1 1
8 1577 1 1 8 GLY HA3 H 5.532 -4.948 1.401 1.00 . A A . 8 GLY HA3 1 1
8 1578 1 1 8 GLY N N 5.939 -4.107 -0.477 1.00 . A A . 8 GLY N 1 1
8 1579 1 1 8 GLY O O 3.260 -3.821 1.362 1.00 . A A . 8 GLY O 1 1
8 1580 1 1 9 HIS C C 0.645 -5.160 0.265 1.00 . A A . 9 HIS C 1 1
8 1581 1 1 9 HIS CA C 1.514 -4.275 -0.633 1.00 . A A . 9 HIS CA 1 1
8 1582 1 1 9 HIS CB C 1.066 -4.422 -2.093 1.00 . A A . 9 HIS CB 1 1
8 1583 1 1 9 HIS CD2 C 3.243 -3.164 -2.891 1.00 . A A . 9 HIS CD2 1 1
8 1584 1 1 9 HIS CE1 C 3.351 -3.975 -4.899 1.00 . A A . 9 HIS CE1 1 1
8 1585 1 1 9 HIS CG C 2.177 -4.020 -3.032 1.00 . A A . 9 HIS CG 1 1
8 1586 1 1 9 HIS H H 3.290 -5.266 -1.348 1.00 . A A . 9 HIS H 1 1
8 1587 1 1 9 HIS HA H 1.451 -3.242 -0.329 1.00 . A A . 9 HIS HA 1 1
8 1588 1 1 9 HIS HB2 H 0.798 -5.453 -2.279 1.00 . A A . 9 HIS HB2 1 1
8 1589 1 1 9 HIS HB3 H 0.208 -3.791 -2.265 1.00 . A A . 9 HIS HB3 1 1
8 1590 1 1 9 HIS HD1 H 1.658 -5.171 -4.733 1.00 . A A . 9 HIS HD1 1 1
8 1591 1 1 9 HIS HD2 H 3.475 -2.601 -2.001 1.00 . A A . 9 HIS HD2 1 1
8 1592 1 1 9 HIS HE1 H 3.672 -4.189 -5.909 1.00 . A A . 9 HIS HE1 1 1
8 1593 1 1 9 HIS N N 2.927 -4.750 -0.599 1.00 . A A . 9 HIS N 1 1
8 1594 1 1 9 HIS ND1 N 2.268 -4.525 -4.321 1.00 . A A . 9 HIS ND1 1 1
8 1595 1 1 9 HIS NE2 N 3.982 -3.138 -4.073 1.00 . A A . 9 HIS NE2 1 1
8 1596 1 1 9 HIS O O 1.131 -6.045 0.939 1.00 . A A . 9 HIS O 1 1
8 1597 1 1 10 HIS C C -2.918 -5.853 0.478 1.00 . A A . 10 HIS C 1 1
8 1598 1 1 10 HIS CA C -1.543 -5.752 1.132 1.00 . A A . 10 HIS CA 1 1
8 1599 1 1 10 HIS CB C -1.641 -5.001 2.461 1.00 . A A . 10 HIS CB 1 1
8 1600 1 1 10 HIS CD2 C 0.089 -6.241 4.003 1.00 . A A . 10 HIS CD2 1 1
8 1601 1 1 10 HIS CE1 C -1.316 -7.260 5.300 1.00 . A A . 10 HIS CE1 1 1
8 1602 1 1 10 HIS CG C -1.169 -5.892 3.578 1.00 . A A . 10 HIS CG 1 1
8 1603 1 1 10 HIS H H -1.010 -4.206 -0.272 1.00 . A A . 10 HIS H 1 1
8 1604 1 1 10 HIS HA H -1.126 -6.731 1.289 1.00 . A A . 10 HIS HA 1 1
8 1605 1 1 10 HIS HB2 H -1.024 -4.115 2.421 1.00 . A A . 10 HIS HB2 1 1
8 1606 1 1 10 HIS HB3 H -2.668 -4.717 2.639 1.00 . A A . 10 HIS HB3 1 1
8 1607 1 1 10 HIS HD1 H -3.029 -6.510 4.385 1.00 . A A . 10 HIS HD1 1 1
8 1608 1 1 10 HIS HD2 H 1.012 -5.899 3.559 1.00 . A A . 10 HIS HD2 1 1
8 1609 1 1 10 HIS HE1 H -1.735 -7.879 6.081 1.00 . A A . 10 HIS HE1 1 1
8 1610 1 1 10 HIS N N -0.639 -4.925 0.279 1.00 . A A . 10 HIS N 1 1
8 1611 1 1 10 HIS ND1 N -2.049 -6.553 4.421 1.00 . A A . 10 HIS ND1 1 1
8 1612 1 1 10 HIS NE2 N -0.006 -7.104 5.090 1.00 . A A . 10 HIS NE2 1 1
8 1613 1 1 10 HIS O O -3.283 -6.869 -0.078 1.00 . A A . 10 HIS O 1 1
8 1614 1 1 11 ARG C C -5.648 -3.411 -0.018 1.00 . A A . 11 ARG C 1 1
8 1615 1 1 11 ARG CA C -5.032 -4.810 -0.082 1.00 . A A . 11 ARG CA 1 1
8 1616 1 1 11 ARG CB C -5.845 -5.798 0.755 1.00 . A A . 11 ARG CB 1 1
8 1617 1 1 11 ARG CD C -4.967 -6.435 3.008 1.00 . A A . 11 ARG CD 1 1
8 1618 1 1 11 ARG CG C -5.775 -5.394 2.228 1.00 . A A . 11 ARG CG 1 1
8 1619 1 1 11 ARG CZ C -4.970 -8.852 2.878 1.00 . A A . 11 ARG CZ 1 1
8 1620 1 1 11 ARG H H -3.353 -3.990 0.987 1.00 . A A . 11 ARG H 1 1
8 1621 1 1 11 ARG HA H -4.975 -5.151 -1.103 1.00 . A A . 11 ARG HA 1 1
8 1622 1 1 11 ARG HB2 H -6.875 -5.787 0.426 1.00 . A A . 11 ARG HB2 1 1
8 1623 1 1 11 ARG HB3 H -5.439 -6.791 0.637 1.00 . A A . 11 ARG HB3 1 1
8 1624 1 1 11 ARG HD2 H -3.941 -6.443 2.667 1.00 . A A . 11 ARG HD2 1 1
8 1625 1 1 11 ARG HD3 H -5.013 -6.230 4.066 1.00 . A A . 11 ARG HD3 1 1
8 1626 1 1 11 ARG HE H -6.554 -7.756 2.394 1.00 . A A . 11 ARG HE 1 1
8 1627 1 1 11 ARG HG2 H -5.296 -4.430 2.311 1.00 . A A . 11 ARG HG2 1 1
8 1628 1 1 11 ARG HG3 H -6.773 -5.337 2.634 1.00 . A A . 11 ARG HG3 1 1
8 1629 1 1 11 ARG HH11 H -5.039 -8.770 4.878 1.00 . A A . 11 ARG HH11 1 1
8 1630 1 1 11 ARG HH12 H -4.216 -10.143 4.208 1.00 . A A . 11 ARG HH12 1 1
8 1631 1 1 11 ARG HH21 H -4.753 -9.201 0.919 1.00 . A A . 11 ARG HH21 1 1
8 1632 1 1 11 ARG HH22 H -4.062 -10.389 1.971 1.00 . A A . 11 ARG HH22 1 1
8 1633 1 1 11 ARG N N -3.677 -4.797 0.537 1.00 . A A . 11 ARG N 1 1
8 1634 1 1 11 ARG NE N -5.627 -7.737 2.712 1.00 . A A . 11 ARG NE 1 1
8 1635 1 1 11 ARG NH1 N -4.723 -9.290 4.082 1.00 . A A . 11 ARG NH1 1 1
8 1636 1 1 11 ARG NH2 N -4.564 -9.533 1.842 1.00 . A A . 11 ARG NH2 1 1
8 1637 1 1 11 ARG O O -6.349 -3.074 0.915 1.00 . A A . 11 ARG O 1 1
8 1638 1 1 12 CYS C C -7.150 -1.125 -1.953 1.00 . A A . 12 CYS C 1 1
8 1639 1 1 12 CYS CA C -5.956 -1.215 -0.993 1.00 . A A . 12 CYS CA 1 1
8 1640 1 1 12 CYS CB C -4.811 -0.317 -1.464 1.00 . A A . 12 CYS CB 1 1
8 1641 1 1 12 CYS H H -4.817 -2.880 -1.742 1.00 . A A . 12 CYS H 1 1
8 1642 1 1 12 CYS HA H -6.254 -0.938 0.001 1.00 . A A . 12 CYS HA 1 1
8 1643 1 1 12 CYS HB2 H -4.278 -0.806 -2.269 1.00 . A A . 12 CYS HB2 1 1
8 1644 1 1 12 CYS HB3 H -5.211 0.623 -1.815 1.00 . A A . 12 CYS HB3 1 1
8 1645 1 1 12 CYS N N -5.388 -2.592 -1.001 1.00 . A A . 12 CYS N 1 1
8 1646 1 1 12 CYS O O -8.286 -1.022 -1.535 1.00 . A A . 12 CYS O 1 1
8 1647 1 1 12 CYS SG S -3.675 -0.012 -0.085 1.00 . A A . 12 CYS SG 1 1
8 1648 1 1 13 THR C C -8.296 -2.456 -4.833 1.00 . A A . 13 THR C 1 1
8 1649 1 1 13 THR CA C -8.017 -1.078 -4.222 1.00 . A A . 13 THR CA 1 1
8 1650 1 1 13 THR CB C -7.515 -0.108 -5.295 1.00 . A A . 13 THR CB 1 1
8 1651 1 1 13 THR CG2 C -8.649 0.823 -5.732 1.00 . A A . 13 THR CG2 1 1
8 1652 1 1 13 THR H H -5.975 -1.246 -3.542 1.00 . A A . 13 THR H 1 1
8 1653 1 1 13 THR HA H -8.908 -0.685 -3.756 1.00 . A A . 13 THR HA 1 1
8 1654 1 1 13 THR HB H -7.168 -0.667 -6.149 1.00 . A A . 13 THR HB 1 1
8 1655 1 1 13 THR HG1 H -5.680 0.530 -5.331 1.00 . A A . 13 THR HG1 1 1
8 1656 1 1 13 THR HG21 H -9.298 1.024 -4.891 1.00 . A A . 13 THR HG21 1 1
8 1657 1 1 13 THR HG22 H -8.233 1.752 -6.094 1.00 . A A . 13 THR HG22 1 1
8 1658 1 1 13 THR HG23 H -9.219 0.353 -6.521 1.00 . A A . 13 THR HG23 1 1
8 1659 1 1 13 THR N N -6.900 -1.163 -3.231 1.00 . A A . 13 THR N 1 1
8 1660 1 1 13 THR O O -7.508 -2.964 -5.604 1.00 . A A . 13 THR O 1 1
8 1661 1 1 13 THR OG1 O -6.446 0.664 -4.769 1.00 . A A . 13 THR OG1 1 1
8 1662 1 1 14 NH2 HN1 H -10.037 -2.678 -3.895 1.00 . A A . 14 NH2 HN1 1 1
8 1663 1 1 14 NH2 HN2 H -9.582 -3.972 -4.911 1.00 . A A . 14 NH2 HN2 1 1
8 1664 1 1 14 NH2 N N -9.396 -3.087 -4.520 1.00 . A A . 14 NH2 N 1 1
9 1665 1 1 1 ILE C C -4.791 4.721 0.174 1.00 . A A . 1 ILE C 1 1
9 1666 1 1 1 ILE CA C -5.907 5.438 -0.595 1.00 . A A . 1 ILE CA 1 1
9 1667 1 1 1 ILE CB C -5.903 6.933 -0.277 1.00 . A A . 1 ILE CB 1 1
9 1668 1 1 1 ILE CD1 C -4.662 9.031 -0.829 1.00 . A A . 1 ILE CD1 1 1
9 1669 1 1 1 ILE CG1 C -4.533 7.520 -0.622 1.00 . A A . 1 ILE CG1 1 1
9 1670 1 1 1 ILE CG2 C -6.191 7.144 1.212 1.00 . A A . 1 ILE CG2 1 1
9 1671 1 1 1 ILE H1 H -7.141 4.425 0.747 1.00 . A A . 1 ILE H1 1 1
9 1672 1 1 1 ILE H2 H -7.884 5.756 0.000 1.00 . A A . 1 ILE H2 1 1
9 1673 1 1 1 ILE H3 H -7.646 4.319 -0.870 1.00 . A A . 1 ILE H3 1 1
9 1674 1 1 1 ILE HA H -5.790 5.289 -1.657 1.00 . A A . 1 ILE HA 1 1
9 1675 1 1 1 ILE HB H -6.667 7.426 -0.863 1.00 . A A . 1 ILE HB 1 1
9 1676 1 1 1 ILE HD11 H -5.473 9.409 -0.224 1.00 . A A . 1 ILE HD11 1 1
9 1677 1 1 1 ILE HD12 H -3.741 9.514 -0.539 1.00 . A A . 1 ILE HD12 1 1
9 1678 1 1 1 ILE HD13 H -4.863 9.235 -1.870 1.00 . A A . 1 ILE HD13 1 1
9 1679 1 1 1 ILE HG12 H -3.843 7.322 0.185 1.00 . A A . 1 ILE HG12 1 1
9 1680 1 1 1 ILE HG13 H -4.166 7.064 -1.530 1.00 . A A . 1 ILE HG13 1 1
9 1681 1 1 1 ILE HG21 H -5.521 6.533 1.800 1.00 . A A . 1 ILE HG21 1 1
9 1682 1 1 1 ILE HG22 H -6.045 8.184 1.464 1.00 . A A . 1 ILE HG22 1 1
9 1683 1 1 1 ILE HG23 H -7.212 6.864 1.425 1.00 . A A . 1 ILE HG23 1 1
9 1684 1 1 1 ILE N N -7.245 4.947 -0.146 1.00 . A A . 1 ILE N 1 1
9 1685 1 1 1 ILE O O -4.879 4.517 1.368 1.00 . A A . 1 ILE O 1 1
9 1686 1 1 2 CYS C C -1.408 3.513 -0.730 1.00 . A A . 2 CYS C 1 1
9 1687 1 1 2 CYS CA C -2.625 3.632 0.195 1.00 . A A . 2 CYS CA 1 1
9 1688 1 1 2 CYS CB C -3.185 2.249 0.532 1.00 . A A . 2 CYS CB 1 1
9 1689 1 1 2 CYS H H -3.686 4.509 -1.464 1.00 . A A . 2 CYS H 1 1
9 1690 1 1 2 CYS HA H -2.361 4.151 1.102 1.00 . A A . 2 CYS HA 1 1
9 1691 1 1 2 CYS HB2 H -2.401 1.633 0.945 1.00 . A A . 2 CYS HB2 1 1
9 1692 1 1 2 CYS HB3 H -3.982 2.349 1.255 1.00 . A A . 2 CYS HB3 1 1
9 1693 1 1 2 CYS N N -3.741 4.336 -0.502 1.00 . A A . 2 CYS N 1 1
9 1694 1 1 2 CYS O O -1.471 2.904 -1.779 1.00 . A A . 2 CYS O 1 1
9 1695 1 1 2 CYS SG S -3.832 1.472 -0.970 1.00 . A A . 2 CYS SG 1 1
9 1696 1 1 3 VAL C C 2.117 3.551 -0.367 1.00 . A A . 3 VAL C 1 1
9 1697 1 1 3 VAL CA C 0.923 4.008 -1.201 1.00 . A A . 3 VAL CA 1 1
9 1698 1 1 3 VAL CB C 1.135 5.429 -1.704 1.00 . A A . 3 VAL CB 1 1
9 1699 1 1 3 VAL CG1 C 2.516 5.546 -2.346 1.00 . A A . 3 VAL CG1 1 1
9 1700 1 1 3 VAL CG2 C 0.061 5.772 -2.739 1.00 . A A . 3 VAL CG2 1 1
9 1701 1 1 3 VAL H H -0.271 4.575 0.503 1.00 . A A . 3 VAL H 1 1
9 1702 1 1 3 VAL HA H 0.763 3.338 -2.020 1.00 . A A . 3 VAL HA 1 1
9 1703 1 1 3 VAL HB H 1.065 6.107 -0.867 1.00 . A A . 3 VAL HB 1 1
9 1704 1 1 3 VAL HG11 H 2.771 4.612 -2.825 1.00 . A A . 3 VAL HG11 1 1
9 1705 1 1 3 VAL HG12 H 2.503 6.336 -3.083 1.00 . A A . 3 VAL HG12 1 1
9 1706 1 1 3 VAL HG13 H 3.248 5.774 -1.587 1.00 . A A . 3 VAL HG13 1 1
9 1707 1 1 3 VAL HG21 H -0.219 4.879 -3.276 1.00 . A A . 3 VAL HG21 1 1
9 1708 1 1 3 VAL HG22 H -0.806 6.178 -2.238 1.00 . A A . 3 VAL HG22 1 1
9 1709 1 1 3 VAL HG23 H 0.450 6.502 -3.432 1.00 . A A . 3 VAL HG23 1 1
9 1710 1 1 3 VAL N N -0.300 4.089 -0.347 1.00 . A A . 3 VAL N 1 1
9 1711 1 1 3 VAL O O 3.260 3.653 -0.769 1.00 . A A . 3 VAL O 1 1
9 1712 1 1 4 VAL C C 3.546 1.280 1.163 1.00 . A A . 4 VAL C 1 1
9 1713 1 1 4 VAL CA C 2.936 2.575 1.693 1.00 . A A . 4 VAL CA 1 1
9 1714 1 1 4 VAL CB C 2.280 2.328 3.054 1.00 . A A . 4 VAL CB 1 1
9 1715 1 1 4 VAL CG1 C 0.951 1.593 2.867 1.00 . A A . 4 VAL CG1 1 1
9 1716 1 1 4 VAL CG2 C 3.205 1.476 3.929 1.00 . A A . 4 VAL CG2 1 1
9 1717 1 1 4 VAL H H 0.912 2.997 1.069 1.00 . A A . 4 VAL H 1 1
9 1718 1 1 4 VAL HA H 3.697 3.333 1.790 1.00 . A A . 4 VAL HA 1 1
9 1719 1 1 4 VAL HB H 2.104 3.272 3.537 1.00 . A A . 4 VAL HB 1 1
9 1720 1 1 4 VAL HG11 H 0.912 1.169 1.875 1.00 . A A . 4 VAL HG11 1 1
9 1721 1 1 4 VAL HG12 H 0.871 0.803 3.597 1.00 . A A . 4 VAL HG12 1 1
9 1722 1 1 4 VAL HG13 H 0.134 2.286 2.996 1.00 . A A . 4 VAL HG13 1 1
9 1723 1 1 4 VAL HG21 H 4.151 1.982 4.052 1.00 . A A . 4 VAL HG21 1 1
9 1724 1 1 4 VAL HG22 H 2.749 1.329 4.897 1.00 . A A . 4 VAL HG22 1 1
9 1725 1 1 4 VAL HG23 H 3.365 0.518 3.458 1.00 . A A . 4 VAL HG23 1 1
9 1726 1 1 4 VAL N N 1.843 3.052 0.793 1.00 . A A . 4 VAL N 1 1
9 1727 1 1 4 VAL O O 3.026 0.656 0.258 1.00 . A A . 4 VAL O 1 1
9 1728 1 1 5 GLN C C 5.237 -0.512 -0.233 1.00 . A A . 5 GLN C 1 1
9 1729 1 1 5 GLN CA C 5.328 -0.372 1.280 1.00 . A A . 5 GLN CA 1 1
9 1730 1 1 5 GLN CB C 4.583 -1.513 1.944 1.00 . A A . 5 GLN CB 1 1
9 1731 1 1 5 GLN CD C 4.471 -2.950 3.981 1.00 . A A . 5 GLN CD 1 1
9 1732 1 1 5 GLN CG C 5.039 -1.655 3.397 1.00 . A A . 5 GLN CG 1 1
9 1733 1 1 5 GLN H H 5.039 1.413 2.453 1.00 . A A . 5 GLN H 1 1
9 1734 1 1 5 GLN HA H 6.359 -0.375 1.596 1.00 . A A . 5 GLN HA 1 1
9 1735 1 1 5 GLN HB2 H 3.525 -1.317 1.911 1.00 . A A . 5 GLN HB2 1 1
9 1736 1 1 5 GLN HB3 H 4.802 -2.422 1.410 1.00 . A A . 5 GLN HB3 1 1
9 1737 1 1 5 GLN HE21 H 6.233 -3.591 4.644 1.00 . A A . 5 GLN HE21 1 1
9 1738 1 1 5 GLN HE22 H 4.914 -4.626 4.955 1.00 . A A . 5 GLN HE22 1 1
9 1739 1 1 5 GLN HG2 H 6.119 -1.685 3.434 1.00 . A A . 5 GLN HG2 1 1
9 1740 1 1 5 GLN HG3 H 4.682 -0.815 3.972 1.00 . A A . 5 GLN HG3 1 1
9 1741 1 1 5 GLN N N 4.651 0.880 1.728 1.00 . A A . 5 GLN N 1 1
9 1742 1 1 5 GLN NE2 N 5.274 -3.792 4.575 1.00 . A A . 5 GLN NE2 1 1
9 1743 1 1 5 GLN O O 4.316 -1.095 -0.767 1.00 . A A . 5 GLN O 1 1
9 1744 1 1 5 GLN OE1 O 3.286 -3.200 3.895 1.00 . A A . 5 GLN OE1 1 1
9 1745 1 1 6 ASP C C 6.500 -1.496 -2.851 1.00 . A A . 6 ASP C 1 1
9 1746 1 1 6 ASP CA C 6.199 -0.064 -2.401 1.00 . A A . 6 ASP CA 1 1
9 1747 1 1 6 ASP CB C 7.323 0.876 -2.827 1.00 . A A . 6 ASP CB 1 1
9 1748 1 1 6 ASP CG C 6.933 1.594 -4.121 1.00 . A A . 6 ASP CG 1 1
9 1749 1 1 6 ASP H H 6.911 0.474 -0.441 1.00 . A A . 6 ASP H 1 1
9 1750 1 1 6 ASP HA H 5.259 0.274 -2.805 1.00 . A A . 6 ASP HA 1 1
9 1751 1 1 6 ASP HB2 H 7.494 1.604 -2.047 1.00 . A A . 6 ASP HB2 1 1
9 1752 1 1 6 ASP HB3 H 8.224 0.304 -2.990 1.00 . A A . 6 ASP HB3 1 1
9 1753 1 1 6 ASP N N 6.192 0.018 -0.914 1.00 . A A . 6 ASP N 1 1
9 1754 1 1 6 ASP O O 6.254 -1.869 -3.980 1.00 . A A . 6 ASP O 1 1
9 1755 1 1 6 ASP OD1 O 5.816 1.399 -4.570 1.00 . A A . 6 ASP OD1 1 1
9 1756 1 1 6 ASP OD2 O 7.759 2.327 -4.640 1.00 . A A . 6 ASP OD2 1 1
9 1757 1 1 7 TRP C C 6.595 -4.675 -1.451 1.00 . A A . 7 TRP C 1 1
9 1758 1 1 7 TRP CA C 7.371 -3.703 -2.339 1.00 . A A . 7 TRP CA 1 1
9 1759 1 1 7 TRP CB C 8.870 -3.834 -2.073 1.00 . A A . 7 TRP CB 1 1
9 1760 1 1 7 TRP CD1 C 9.979 -1.949 -0.810 1.00 . A A . 7 TRP CD1 1 1
9 1761 1 1 7 TRP CD2 C 8.919 -3.383 0.551 1.00 . A A . 7 TRP CD2 1 1
9 1762 1 1 7 TRP CE2 C 9.496 -2.391 1.380 1.00 . A A . 7 TRP CE2 1 1
9 1763 1 1 7 TRP CE3 C 8.187 -4.412 1.160 1.00 . A A . 7 TRP CE3 1 1
9 1764 1 1 7 TRP CG C 9.247 -3.082 -0.833 1.00 . A A . 7 TRP CG 1 1
9 1765 1 1 7 TRP CH2 C 8.618 -3.456 3.357 1.00 . A A . 7 TRP CH2 1 1
9 1766 1 1 7 TRP CZ2 C 9.349 -2.423 2.768 1.00 . A A . 7 TRP CZ2 1 1
9 1767 1 1 7 TRP CZ3 C 8.036 -4.449 2.556 1.00 . A A . 7 TRP CZ3 1 1
9 1768 1 1 7 TRP H H 7.235 -1.968 -1.075 1.00 . A A . 7 TRP H 1 1
9 1769 1 1 7 TRP HA H 7.161 -3.886 -3.381 1.00 . A A . 7 TRP HA 1 1
9 1770 1 1 7 TRP HB2 H 9.114 -4.876 -1.945 1.00 . A A . 7 TRP HB2 1 1
9 1771 1 1 7 TRP HB3 H 9.415 -3.438 -2.912 1.00 . A A . 7 TRP HB3 1 1
9 1772 1 1 7 TRP HD1 H 10.379 -1.450 -1.673 1.00 . A A . 7 TRP HD1 1 1
9 1773 1 1 7 TRP HE1 H 10.629 -0.746 0.793 1.00 . A A . 7 TRP HE1 1 1
9 1774 1 1 7 TRP HE3 H 7.735 -5.176 0.549 1.00 . A A . 7 TRP HE3 1 1
9 1775 1 1 7 TRP HH2 H 8.499 -3.490 4.430 1.00 . A A . 7 TRP HH2 1 1
9 1776 1 1 7 TRP HZ2 H 9.800 -1.656 3.380 1.00 . A A . 7 TRP HZ2 1 1
9 1777 1 1 7 TRP HZ3 H 7.470 -5.247 3.013 1.00 . A A . 7 TRP HZ3 1 1
9 1778 1 1 7 TRP N N 7.038 -2.294 -1.975 1.00 . A A . 7 TRP N 1 1
9 1779 1 1 7 TRP NE1 N 10.133 -1.539 0.503 1.00 . A A . 7 TRP NE1 1 1
9 1780 1 1 7 TRP O O 6.562 -5.867 -1.690 1.00 . A A . 7 TRP O 1 1
9 1781 1 1 8 GLY C C 3.742 -4.591 0.481 1.00 . A A . 8 GLY C 1 1
9 1782 1 1 8 GLY CA C 5.204 -5.036 0.493 1.00 . A A . 8 GLY CA 1 1
9 1783 1 1 8 GLY H H 6.023 -3.211 -0.264 1.00 . A A . 8 GLY H 1 1
9 1784 1 1 8 GLY HA2 H 5.279 -6.062 0.167 1.00 . A A . 8 GLY HA2 1 1
9 1785 1 1 8 GLY HA3 H 5.602 -4.942 1.492 1.00 . A A . 8 GLY HA3 1 1
9 1786 1 1 8 GLY N N 5.978 -4.169 -0.428 1.00 . A A . 8 GLY N 1 1
9 1787 1 1 8 GLY O O 3.294 -3.853 1.335 1.00 . A A . 8 GLY O 1 1
9 1788 1 1 9 HIS C C 0.696 -5.402 0.380 1.00 . A A . 9 HIS C 1 1
9 1789 1 1 9 HIS CA C 1.568 -4.609 -0.601 1.00 . A A . 9 HIS CA 1 1
9 1790 1 1 9 HIS CB C 1.159 -4.943 -2.039 1.00 . A A . 9 HIS CB 1 1
9 1791 1 1 9 HIS CD2 C 3.258 -3.616 -2.904 1.00 . A A . 9 HIS CD2 1 1
9 1792 1 1 9 HIS CE1 C 3.471 -4.586 -4.830 1.00 . A A . 9 HIS CE1 1 1
9 1793 1 1 9 HIS CG C 2.258 -4.552 -2.991 1.00 . A A . 9 HIS CG 1 1
9 1794 1 1 9 HIS H H 3.398 -5.594 -1.187 1.00 . A A . 9 HIS H 1 1
9 1795 1 1 9 HIS HA H 1.466 -3.550 -0.428 1.00 . A A . 9 HIS HA 1 1
9 1796 1 1 9 HIS HB2 H 0.972 -6.004 -2.123 1.00 . A A . 9 HIS HB2 1 1
9 1797 1 1 9 HIS HB3 H 0.260 -4.398 -2.289 1.00 . A A . 9 HIS HB3 1 1
9 1798 1 1 9 HIS HD1 H 1.857 -5.878 -4.595 1.00 . A A . 9 HIS HD1 1 1
9 1799 1 1 9 HIS HD2 H 3.426 -2.962 -2.062 1.00 . A A . 9 HIS HD2 1 1
9 1800 1 1 9 HIS HE1 H 3.830 -4.857 -5.811 1.00 . A A . 9 HIS HE1 1 1
9 1801 1 1 9 HIS N N 3.002 -5.021 -0.500 1.00 . A A . 9 HIS N 1 1
9 1802 1 1 9 HIS ND1 N 2.414 -5.160 -4.227 1.00 . A A . 9 HIS ND1 1 1
9 1803 1 1 9 HIS NE2 N 4.023 -3.639 -4.066 1.00 . A A . 9 HIS NE2 1 1
9 1804 1 1 9 HIS O O 1.070 -6.456 0.855 1.00 . A A . 9 HIS O 1 1
9 1805 1 1 10 HIS C C -2.717 -5.911 0.931 1.00 . A A . 10 HIS C 1 1
9 1806 1 1 10 HIS CA C -1.389 -5.596 1.625 1.00 . A A . 10 HIS CA 1 1
9 1807 1 1 10 HIS CB C -1.602 -4.612 2.777 1.00 . A A . 10 HIS CB 1 1
9 1808 1 1 10 HIS CD2 C -0.432 -6.314 4.398 1.00 . A A . 10 HIS CD2 1 1
9 1809 1 1 10 HIS CE1 C -1.444 -5.751 6.230 1.00 . A A . 10 HIS CE1 1 1
9 1810 1 1 10 HIS CG C -1.297 -5.298 4.078 1.00 . A A . 10 HIS CG 1 1
9 1811 1 1 10 HIS H H -0.746 -4.040 0.279 1.00 . A A . 10 HIS H 1 1
9 1812 1 1 10 HIS HA H -0.934 -6.499 1.992 1.00 . A A . 10 HIS HA 1 1
9 1813 1 1 10 HIS HB2 H -0.944 -3.764 2.653 1.00 . A A . 10 HIS HB2 1 1
9 1814 1 1 10 HIS HB3 H -2.627 -4.275 2.780 1.00 . A A . 10 HIS HB3 1 1
9 1815 1 1 10 HIS HD1 H -2.614 -4.260 5.372 1.00 . A A . 10 HIS HD1 1 1
9 1816 1 1 10 HIS HD2 H 0.224 -6.815 3.701 1.00 . A A . 10 HIS HD2 1 1
9 1817 1 1 10 HIS HE1 H -1.757 -5.710 7.262 1.00 . A A . 10 HIS HE1 1 1
9 1818 1 1 10 HIS N N -0.471 -4.891 0.680 1.00 . A A . 10 HIS N 1 1
9 1819 1 1 10 HIS ND1 N -1.932 -4.955 5.262 1.00 . A A . 10 HIS ND1 1 1
9 1820 1 1 10 HIS NE2 N -0.525 -6.599 5.757 1.00 . A A . 10 HIS NE2 1 1
9 1821 1 1 10 HIS O O -2.975 -7.032 0.541 1.00 . A A . 10 HIS O 1 1
9 1822 1 1 11 ARG C C -5.586 -3.806 -0.024 1.00 . A A . 11 ARG C 1 1
9 1823 1 1 11 ARG CA C -4.858 -5.150 0.097 1.00 . A A . 11 ARG CA 1 1
9 1824 1 1 11 ARG CB C -5.585 -6.198 0.974 1.00 . A A . 11 ARG CB 1 1
9 1825 1 1 11 ARG CD C -6.078 -5.202 3.219 1.00 . A A . 11 ARG CD 1 1
9 1826 1 1 11 ARG CG C -6.673 -5.580 1.860 1.00 . A A . 11 ARG CG 1 1
9 1827 1 1 11 ARG CZ C -6.022 -2.846 3.774 1.00 . A A . 11 ARG CZ 1 1
9 1828 1 1 11 ARG H H -3.335 -4.034 1.079 1.00 . A A . 11 ARG H 1 1
9 1829 1 1 11 ARG HA H -4.689 -5.557 -0.889 1.00 . A A . 11 ARG HA 1 1
9 1830 1 1 11 ARG HB2 H -6.039 -6.936 0.330 1.00 . A A . 11 ARG HB2 1 1
9 1831 1 1 11 ARG HB3 H -4.857 -6.688 1.605 1.00 . A A . 11 ARG HB3 1 1
9 1832 1 1 11 ARG HD2 H -6.303 -5.967 3.951 1.00 . A A . 11 ARG HD2 1 1
9 1833 1 1 11 ARG HD3 H -5.012 -5.060 3.139 1.00 . A A . 11 ARG HD3 1 1
9 1834 1 1 11 ARG HE H -7.714 -3.885 3.693 1.00 . A A . 11 ARG HE 1 1
9 1835 1 1 11 ARG HG2 H -7.086 -4.711 1.389 1.00 . A A . 11 ARG HG2 1 1
9 1836 1 1 11 ARG HG3 H -7.458 -6.304 2.011 1.00 . A A . 11 ARG HG3 1 1
9 1837 1 1 11 ARG HH11 H -4.601 -3.379 2.469 1.00 . A A . 11 ARG HH11 1 1
9 1838 1 1 11 ARG HH12 H -4.354 -1.863 3.268 1.00 . A A . 11 ARG HH12 1 1
9 1839 1 1 11 ARG HH21 H -7.282 -2.053 5.117 1.00 . A A . 11 ARG HH21 1 1
9 1840 1 1 11 ARG HH22 H -5.874 -1.103 4.753 1.00 . A A . 11 ARG HH22 1 1
9 1841 1 1 11 ARG N N -3.559 -4.927 0.767 1.00 . A A . 11 ARG N 1 1
9 1842 1 1 11 ARG NE N -6.740 -3.921 3.588 1.00 . A A . 11 ARG NE 1 1
9 1843 1 1 11 ARG NH1 N -4.906 -2.683 3.118 1.00 . A A . 11 ARG NH1 1 1
9 1844 1 1 11 ARG NH2 N -6.424 -1.931 4.614 1.00 . A A . 11 ARG NH2 1 1
9 1845 1 1 11 ARG O O -5.973 -3.190 0.950 1.00 . A A . 11 ARG O 1 1
9 1846 1 1 12 CYS C C -7.404 -2.107 -2.590 1.00 . A A . 12 CYS C 1 1
9 1847 1 1 12 CYS CA C -6.386 -2.010 -1.447 1.00 . A A . 12 CYS CA 1 1
9 1848 1 1 12 CYS CB C -5.245 -1.067 -1.822 1.00 . A A . 12 CYS CB 1 1
9 1849 1 1 12 CYS H H -5.360 -3.819 -1.984 1.00 . A A . 12 CYS H 1 1
9 1850 1 1 12 CYS HA H -6.862 -1.671 -0.542 1.00 . A A . 12 CYS HA 1 1
9 1851 1 1 12 CYS HB2 H -4.459 -1.629 -2.309 1.00 . A A . 12 CYS HB2 1 1
9 1852 1 1 12 CYS HB3 H -5.613 -0.306 -2.493 1.00 . A A . 12 CYS HB3 1 1
9 1853 1 1 12 CYS N N -5.723 -3.325 -1.226 1.00 . A A . 12 CYS N 1 1
9 1854 1 1 12 CYS O O -7.690 -3.177 -3.089 1.00 . A A . 12 CYS O 1 1
9 1855 1 1 12 CYS SG S -4.585 -0.289 -0.326 1.00 . A A . 12 CYS SG 1 1
9 1856 1 1 13 THR C C -8.414 -0.308 -5.349 1.00 . A A . 13 THR C 1 1
9 1857 1 1 13 THR CA C -8.957 -1.032 -4.114 1.00 . A A . 13 THR CA 1 1
9 1858 1 1 13 THR CB C -10.181 -0.299 -3.561 1.00 . A A . 13 THR CB 1 1
9 1859 1 1 13 THR CG2 C -10.675 -1.015 -2.303 1.00 . A A . 13 THR CG2 1 1
9 1860 1 1 13 THR H H -7.715 -0.144 -2.590 1.00 . A A . 13 THR H 1 1
9 1861 1 1 13 THR HA H -9.218 -2.049 -4.358 1.00 . A A . 13 THR HA 1 1
9 1862 1 1 13 THR HB H -10.967 -0.296 -4.299 1.00 . A A . 13 THR HB 1 1
9 1863 1 1 13 THR HG1 H -9.573 1.068 -2.316 1.00 . A A . 13 THR HG1 1 1
9 1864 1 1 13 THR HG21 H -9.840 -1.202 -1.645 1.00 . A A . 13 THR HG21 1 1
9 1865 1 1 13 THR HG22 H -11.402 -0.397 -1.797 1.00 . A A . 13 THR HG22 1 1
9 1866 1 1 13 THR HG23 H -11.131 -1.953 -2.582 1.00 . A A . 13 THR HG23 1 1
9 1867 1 1 13 THR N N -7.956 -0.998 -3.007 1.00 . A A . 13 THR N 1 1
9 1868 1 1 13 THR O O -7.253 -0.438 -5.687 1.00 . A A . 13 THR O 1 1
9 1869 1 1 13 THR OG1 O -9.825 1.040 -3.241 1.00 . A A . 13 THR OG1 1 1
9 1870 1 1 14 NH2 HN1 H -10.151 0.555 -5.774 1.00 . A A . 14 NH2 HN1 1 1
9 1871 1 1 14 NH2 HN2 H -8.875 0.917 -6.844 1.00 . A A . 14 NH2 HN2 1 1
9 1872 1 1 14 NH2 N N -9.213 0.451 -6.047 1.00 . A A . 14 NH2 N 1 1
10 1873 1 1 1 ILE C C -4.610 4.969 0.093 1.00 . A A . 1 ILE C 1 1
10 1874 1 1 1 ILE CA C -5.834 5.250 -0.790 1.00 . A A . 1 ILE CA 1 1
10 1875 1 1 1 ILE CB C -6.465 6.609 -0.459 1.00 . A A . 1 ILE CB 1 1
10 1876 1 1 1 ILE CD1 C -4.262 7.745 -0.063 1.00 . A A . 1 ILE CD1 1 1
10 1877 1 1 1 ILE CG1 C -5.532 7.740 -0.917 1.00 . A A . 1 ILE CG1 1 1
10 1878 1 1 1 ILE CG2 C -6.706 6.721 1.047 1.00 . A A . 1 ILE CG2 1 1
10 1879 1 1 1 ILE H1 H -6.535 3.292 -0.666 1.00 . A A . 1 ILE H1 1 1
10 1880 1 1 1 ILE H2 H -7.229 4.347 0.470 1.00 . A A . 1 ILE H2 1 1
10 1881 1 1 1 ILE H3 H -7.706 4.415 -1.159 1.00 . A A . 1 ILE H3 1 1
10 1882 1 1 1 ILE HA H -5.557 5.219 -1.831 1.00 . A A . 1 ILE HA 1 1
10 1883 1 1 1 ILE HB H -7.411 6.694 -0.976 1.00 . A A . 1 ILE HB 1 1
10 1884 1 1 1 ILE HD11 H -4.517 7.528 0.964 1.00 . A A . 1 ILE HD11 1 1
10 1885 1 1 1 ILE HD12 H -3.577 6.995 -0.430 1.00 . A A . 1 ILE HD12 1 1
10 1886 1 1 1 ILE HD13 H -3.794 8.715 -0.119 1.00 . A A . 1 ILE HD13 1 1
10 1887 1 1 1 ILE HG12 H -5.267 7.590 -1.954 1.00 . A A . 1 ILE HG12 1 1
10 1888 1 1 1 ILE HG13 H -6.038 8.688 -0.810 1.00 . A A . 1 ILE HG13 1 1
10 1889 1 1 1 ILE HG21 H -6.553 5.757 1.509 1.00 . A A . 1 ILE HG21 1 1
10 1890 1 1 1 ILE HG22 H -6.016 7.437 1.470 1.00 . A A . 1 ILE HG22 1 1
10 1891 1 1 1 ILE HG23 H -7.719 7.050 1.226 1.00 . A A . 1 ILE HG23 1 1
10 1892 1 1 1 ILE N N -6.907 4.251 -0.514 1.00 . A A . 1 ILE N 1 1
10 1893 1 1 1 ILE O O -4.501 5.448 1.204 1.00 . A A . 1 ILE O 1 1
10 1894 1 1 2 CYS C C -1.299 3.535 -0.534 1.00 . A A . 2 CYS C 1 1
10 1895 1 1 2 CYS CA C -2.465 3.873 0.399 1.00 . A A . 2 CYS CA 1 1
10 1896 1 1 2 CYS CB C -2.808 2.661 1.291 1.00 . A A . 2 CYS CB 1 1
10 1897 1 1 2 CYS H H -3.793 3.816 -1.299 1.00 . A A . 2 CYS H 1 1
10 1898 1 1 2 CYS HA H -2.203 4.716 1.020 1.00 . A A . 2 CYS HA 1 1
10 1899 1 1 2 CYS HB2 H -1.990 1.957 1.258 1.00 . A A . 2 CYS HB2 1 1
10 1900 1 1 2 CYS HB3 H -2.939 2.999 2.309 1.00 . A A . 2 CYS HB3 1 1
10 1901 1 1 2 CYS N N -3.685 4.193 -0.401 1.00 . A A . 2 CYS N 1 1
10 1902 1 1 2 CYS O O -1.395 2.664 -1.375 1.00 . A A . 2 CYS O 1 1
10 1903 1 1 2 CYS SG S -4.326 1.824 0.740 1.00 . A A . 2 CYS SG 1 1
10 1904 1 1 3 VAL C C 2.169 3.494 -0.423 1.00 . A A . 3 VAL C 1 1
10 1905 1 1 3 VAL CA C 0.980 3.956 -1.262 1.00 . A A . 3 VAL CA 1 1
10 1906 1 1 3 VAL CB C 1.275 5.296 -1.924 1.00 . A A . 3 VAL CB 1 1
10 1907 1 1 3 VAL CG1 C 2.693 5.291 -2.503 1.00 . A A . 3 VAL CG1 1 1
10 1908 1 1 3 VAL CG2 C 0.264 5.549 -3.045 1.00 . A A . 3 VAL CG2 1 1
10 1909 1 1 3 VAL H H -0.151 4.923 0.297 1.00 . A A . 3 VAL H 1 1
10 1910 1 1 3 VAL HA H 0.737 3.217 -1.996 1.00 . A A . 3 VAL HA 1 1
10 1911 1 1 3 VAL HB H 1.194 6.075 -1.181 1.00 . A A . 3 VAL HB 1 1
10 1912 1 1 3 VAL HG11 H 2.941 4.295 -2.840 1.00 . A A . 3 VAL HG11 1 1
10 1913 1 1 3 VAL HG12 H 2.746 5.978 -3.333 1.00 . A A . 3 VAL HG12 1 1
10 1914 1 1 3 VAL HG13 H 3.393 5.595 -1.738 1.00 . A A . 3 VAL HG13 1 1
10 1915 1 1 3 VAL HG21 H -0.671 5.068 -2.803 1.00 . A A . 3 VAL HG21 1 1
10 1916 1 1 3 VAL HG22 H 0.103 6.613 -3.153 1.00 . A A . 3 VAL HG22 1 1
10 1917 1 1 3 VAL HG23 H 0.646 5.147 -3.973 1.00 . A A . 3 VAL HG23 1 1
10 1918 1 1 3 VAL N N -0.200 4.224 -0.388 1.00 . A A . 3 VAL N 1 1
10 1919 1 1 3 VAL O O 3.283 3.387 -0.894 1.00 . A A . 3 VAL O 1 1
10 1920 1 1 4 VAL C C 3.557 1.402 1.264 1.00 . A A . 4 VAL C 1 1
10 1921 1 1 4 VAL CA C 3.029 2.765 1.716 1.00 . A A . 4 VAL CA 1 1
10 1922 1 1 4 VAL CB C 2.415 2.668 3.118 1.00 . A A . 4 VAL CB 1 1
10 1923 1 1 4 VAL CG1 C 1.019 2.050 3.034 1.00 . A A . 4 VAL CG1 1 1
10 1924 1 1 4 VAL CG2 C 3.297 1.793 4.016 1.00 . A A . 4 VAL CG2 1 1
10 1925 1 1 4 VAL H H 1.019 3.325 1.148 1.00 . A A . 4 VAL H 1 1
10 1926 1 1 4 VAL HA H 3.830 3.487 1.719 1.00 . A A . 4 VAL HA 1 1
10 1927 1 1 4 VAL HB H 2.348 3.656 3.541 1.00 . A A . 4 VAL HB 1 1
10 1928 1 1 4 VAL HG11 H 1.005 1.300 2.257 1.00 . A A . 4 VAL HG11 1 1
10 1929 1 1 4 VAL HG12 H 0.767 1.594 3.979 1.00 . A A . 4 VAL HG12 1 1
10 1930 1 1 4 VAL HG13 H 0.298 2.822 2.804 1.00 . A A . 4 VAL HG13 1 1
10 1931 1 1 4 VAL HG21 H 4.286 2.223 4.079 1.00 . A A . 4 VAL HG21 1 1
10 1932 1 1 4 VAL HG22 H 2.865 1.740 5.004 1.00 . A A . 4 VAL HG22 1 1
10 1933 1 1 4 VAL HG23 H 3.362 0.799 3.598 1.00 . A A . 4 VAL HG23 1 1
10 1934 1 1 4 VAL N N 1.928 3.223 0.815 1.00 . A A . 4 VAL N 1 1
10 1935 1 1 4 VAL O O 2.988 0.748 0.413 1.00 . A A . 4 VAL O 1 1
10 1936 1 1 5 GLN C C 5.311 -0.483 -0.055 1.00 . A A . 5 GLN C 1 1
10 1937 1 1 5 GLN CA C 5.240 -0.333 1.459 1.00 . A A . 5 GLN CA 1 1
10 1938 1 1 5 GLN CB C 4.317 -1.389 2.036 1.00 . A A . 5 GLN CB 1 1
10 1939 1 1 5 GLN CD C 3.791 -2.683 4.104 1.00 . A A . 5 GLN CD 1 1
10 1940 1 1 5 GLN CG C 4.854 -1.851 3.390 1.00 . A A . 5 GLN CG 1 1
10 1941 1 1 5 GLN H H 5.081 1.535 2.517 1.00 . A A . 5 GLN H 1 1
10 1942 1 1 5 GLN HA H 6.223 -0.435 1.889 1.00 . A A . 5 GLN HA 1 1
10 1943 1 1 5 GLN HB2 H 3.328 -0.977 2.155 1.00 . A A . 5 GLN HB2 1 1
10 1944 1 1 5 GLN HB3 H 4.286 -2.225 1.360 1.00 . A A . 5 GLN HB3 1 1
10 1945 1 1 5 GLN HE21 H 4.296 -2.029 5.911 1.00 . A A . 5 GLN HE21 1 1
10 1946 1 1 5 GLN HE22 H 3.006 -3.145 5.871 1.00 . A A . 5 GLN HE22 1 1
10 1947 1 1 5 GLN HG2 H 5.740 -2.451 3.239 1.00 . A A . 5 GLN HG2 1 1
10 1948 1 1 5 GLN HG3 H 5.100 -0.991 3.992 1.00 . A A . 5 GLN HG3 1 1
10 1949 1 1 5 GLN N N 4.646 0.981 1.835 1.00 . A A . 5 GLN N 1 1
10 1950 1 1 5 GLN NE2 N 3.690 -2.613 5.403 1.00 . A A . 5 GLN NE2 1 1
10 1951 1 1 5 GLN O O 4.396 -0.961 -0.696 1.00 . A A . 5 GLN O 1 1
10 1952 1 1 5 GLN OE1 O 3.044 -3.405 3.474 1.00 . A A . 5 GLN OE1 1 1
10 1953 1 1 6 ASP C C 6.877 -1.676 -2.441 1.00 . A A . 6 ASP C 1 1
10 1954 1 1 6 ASP CA C 6.596 -0.217 -2.087 1.00 . A A . 6 ASP CA 1 1
10 1955 1 1 6 ASP CB C 7.817 0.645 -2.392 1.00 . A A . 6 ASP CB 1 1
10 1956 1 1 6 ASP CG C 7.365 2.059 -2.762 1.00 . A A . 6 ASP CG 1 1
10 1957 1 1 6 ASP H H 7.117 0.267 -0.059 1.00 . A A . 6 ASP H 1 1
10 1958 1 1 6 ASP HA H 5.734 0.150 -2.620 1.00 . A A . 6 ASP HA 1 1
10 1959 1 1 6 ASP HB2 H 8.452 0.684 -1.518 1.00 . A A . 6 ASP HB2 1 1
10 1960 1 1 6 ASP HB3 H 8.363 0.215 -3.217 1.00 . A A . 6 ASP HB3 1 1
10 1961 1 1 6 ASP N N 6.407 -0.094 -0.616 1.00 . A A . 6 ASP N 1 1
10 1962 1 1 6 ASP O O 6.785 -2.086 -3.579 1.00 . A A . 6 ASP O 1 1
10 1963 1 1 6 ASP OD1 O 6.588 2.626 -2.011 1.00 . A A . 6 ASP OD1 1 1
10 1964 1 1 6 ASP OD2 O 7.802 2.549 -3.790 1.00 . A A . 6 ASP OD2 1 1
10 1965 1 1 7 TRP C C 6.510 -4.758 -0.937 1.00 . A A . 7 TRP C 1 1
10 1966 1 1 7 TRP CA C 7.517 -3.898 -1.693 1.00 . A A . 7 TRP CA 1 1
10 1967 1 1 7 TRP CB C 8.922 -4.121 -1.133 1.00 . A A . 7 TRP CB 1 1
10 1968 1 1 7 TRP CD1 C 9.946 -2.258 0.221 1.00 . A A . 7 TRP CD1 1 1
10 1969 1 1 7 TRP CD2 C 8.519 -3.499 1.431 1.00 . A A . 7 TRP CD2 1 1
10 1970 1 1 7 TRP CE2 C 9.027 -2.504 2.299 1.00 . A A . 7 TRP CE2 1 1
10 1971 1 1 7 TRP CE3 C 7.593 -4.417 1.946 1.00 . A A . 7 TRP CE3 1 1
10 1972 1 1 7 TRP CG C 9.125 -3.322 0.118 1.00 . A A . 7 TRP CG 1 1
10 1973 1 1 7 TRP CH2 C 7.706 -3.347 4.132 1.00 . A A . 7 TRP CH2 1 1
10 1974 1 1 7 TRP CZ2 C 8.629 -2.424 3.634 1.00 . A A . 7 TRP CZ2 1 1
10 1975 1 1 7 TRP CZ3 C 7.188 -4.342 3.289 1.00 . A A . 7 TRP CZ3 1 1
10 1976 1 1 7 TRP H H 7.288 -2.095 -0.551 1.00 . A A . 7 TRP H 1 1
10 1977 1 1 7 TRP HA H 7.495 -4.124 -2.747 1.00 . A A . 7 TRP HA 1 1
10 1978 1 1 7 TRP HB2 H 9.050 -5.166 -0.909 1.00 . A A . 7 TRP HB2 1 1
10 1979 1 1 7 TRP HB3 H 9.648 -3.819 -1.870 1.00 . A A . 7 TRP HB3 1 1
10 1980 1 1 7 TRP HD1 H 10.544 -1.856 -0.574 1.00 . A A . 7 TRP HD1 1 1
10 1981 1 1 7 TRP HE1 H 10.403 -1.005 1.851 1.00 . A A . 7 TRP HE1 1 1
10 1982 1 1 7 TRP HE3 H 7.187 -5.182 1.303 1.00 . A A . 7 TRP HE3 1 1
10 1983 1 1 7 TRP HH2 H 7.393 -3.294 5.164 1.00 . A A . 7 TRP HH2 1 1
10 1984 1 1 7 TRP HZ2 H 9.033 -1.656 4.277 1.00 . A A . 7 TRP HZ2 1 1
10 1985 1 1 7 TRP HZ3 H 6.475 -5.055 3.677 1.00 . A A . 7 TRP HZ3 1 1
10 1986 1 1 7 TRP N N 7.222 -2.458 -1.457 1.00 . A A . 7 TRP N 1 1
10 1987 1 1 7 TRP NE1 N 9.894 -1.773 1.514 1.00 . A A . 7 TRP NE1 1 1
10 1988 1 1 7 TRP O O 6.390 -5.946 -1.160 1.00 . A A . 7 TRP O 1 1
10 1989 1 1 8 GLY C C 3.389 -4.498 0.296 1.00 . A A . 8 GLY C 1 1
10 1990 1 1 8 GLY CA C 4.787 -4.917 0.745 1.00 . A A . 8 GLY CA 1 1
10 1991 1 1 8 GLY H H 5.906 -3.203 0.117 1.00 . A A . 8 GLY H 1 1
10 1992 1 1 8 GLY HA2 H 4.927 -5.976 0.574 1.00 . A A . 8 GLY HA2 1 1
10 1993 1 1 8 GLY HA3 H 4.911 -4.697 1.792 1.00 . A A . 8 GLY HA3 1 1
10 1994 1 1 8 GLY N N 5.788 -4.158 -0.040 1.00 . A A . 8 GLY N 1 1
10 1995 1 1 8 GLY O O 2.691 -3.785 0.986 1.00 . A A . 8 GLY O 1 1
10 1996 1 1 9 HIS C C 0.549 -5.390 -0.698 1.00 . A A . 9 HIS C 1 1
10 1997 1 1 9 HIS CA C 1.634 -4.548 -1.373 1.00 . A A . 9 HIS CA 1 1
10 1998 1 1 9 HIS CB C 1.654 -4.855 -2.875 1.00 . A A . 9 HIS CB 1 1
10 1999 1 1 9 HIS CD2 C 3.971 -3.630 -3.093 1.00 . A A . 9 HIS CD2 1 1
10 2000 1 1 9 HIS CE1 C 4.686 -4.634 -4.875 1.00 . A A . 9 HIS CE1 1 1
10 2001 1 1 9 HIS CG C 2.996 -4.519 -3.467 1.00 . A A . 9 HIS CG 1 1
10 2002 1 1 9 HIS H H 3.572 -5.492 -1.407 1.00 . A A . 9 HIS H 1 1
10 2003 1 1 9 HIS HA H 1.453 -3.497 -1.214 1.00 . A A . 9 HIS HA 1 1
10 2004 1 1 9 HIS HB2 H 1.453 -5.905 -3.025 1.00 . A A . 9 HIS HB2 1 1
10 2005 1 1 9 HIS HB3 H 0.891 -4.270 -3.365 1.00 . A A . 9 HIS HB3 1 1
10 2006 1 1 9 HIS HD1 H 3.011 -5.842 -5.122 1.00 . A A . 9 HIS HD1 1 1
10 2007 1 1 9 HIS HD2 H 3.920 -2.973 -2.237 1.00 . A A . 9 HIS HD2 1 1
10 2008 1 1 9 HIS HE1 H 5.302 -4.939 -5.709 1.00 . A A . 9 HIS HE1 1 1
10 2009 1 1 9 HIS N N 2.983 -4.930 -0.864 1.00 . A A . 9 HIS N 1 1
10 2010 1 1 9 HIS ND1 N 3.474 -5.149 -4.607 1.00 . A A . 9 HIS ND1 1 1
10 2011 1 1 9 HIS NE2 N 5.037 -3.703 -3.985 1.00 . A A . 9 HIS NE2 1 1
10 2012 1 1 9 HIS O O 0.664 -6.594 -0.582 1.00 . A A . 9 HIS O 1 1
10 2013 1 1 10 HIS C C -2.863 -5.469 -0.507 1.00 . A A . 10 HIS C 1 1
10 2014 1 1 10 HIS CA C -1.614 -5.522 0.384 1.00 . A A . 10 HIS CA 1 1
10 2015 1 1 10 HIS CB C -1.851 -4.812 1.718 1.00 . A A . 10 HIS CB 1 1
10 2016 1 1 10 HIS CD2 C 0.438 -5.835 2.504 1.00 . A A . 10 HIS CD2 1 1
10 2017 1 1 10 HIS CE1 C 0.354 -5.239 4.585 1.00 . A A . 10 HIS CE1 1 1
10 2018 1 1 10 HIS CG C -0.743 -5.157 2.674 1.00 . A A . 10 HIS CG 1 1
10 2019 1 1 10 HIS H H -0.585 -3.794 -0.381 1.00 . A A . 10 HIS H 1 1
10 2020 1 1 10 HIS HA H -1.317 -6.545 0.558 1.00 . A A . 10 HIS HA 1 1
10 2021 1 1 10 HIS HB2 H -1.869 -3.744 1.558 1.00 . A A . 10 HIS HB2 1 1
10 2022 1 1 10 HIS HB3 H -2.796 -5.131 2.133 1.00 . A A . 10 HIS HB3 1 1
10 2023 1 1 10 HIS HD1 H -1.492 -4.286 4.455 1.00 . A A . 10 HIS HD1 1 1
10 2024 1 1 10 HIS HD2 H 0.779 -6.265 1.574 1.00 . A A . 10 HIS HD2 1 1
10 2025 1 1 10 HIS HE1 H 0.604 -5.097 5.626 1.00 . A A . 10 HIS HE1 1 1
10 2026 1 1 10 HIS N N -0.510 -4.764 -0.267 1.00 . A A . 10 HIS N 1 1
10 2027 1 1 10 HIS ND1 N -0.775 -4.785 4.010 1.00 . A A . 10 HIS ND1 1 1
10 2028 1 1 10 HIS NE2 N 1.130 -5.886 3.711 1.00 . A A . 10 HIS NE2 1 1
10 2029 1 1 10 HIS O O -2.900 -6.067 -1.565 1.00 . A A . 10 HIS O 1 1
10 2030 1 1 11 ARG C C -5.828 -3.337 -0.664 1.00 . A A . 11 ARG C 1 1
10 2031 1 1 11 ARG CA C -5.112 -4.659 -0.951 1.00 . A A . 11 ARG CA 1 1
10 2032 1 1 11 ARG CB C -6.038 -5.843 -0.581 1.00 . A A . 11 ARG CB 1 1
10 2033 1 1 11 ARG CD C -5.350 -6.213 1.806 1.00 . A A . 11 ARG CD 1 1
10 2034 1 1 11 ARG CG C -5.373 -6.821 0.401 1.00 . A A . 11 ARG CG 1 1
10 2035 1 1 11 ARG CZ C -4.189 -6.898 3.828 1.00 . A A . 11 ARG CZ 1 1
10 2036 1 1 11 ARG H H -3.838 -4.266 0.742 1.00 . A A . 11 ARG H 1 1
10 2037 1 1 11 ARG HA H -4.846 -4.717 -1.995 1.00 . A A . 11 ARG HA 1 1
10 2038 1 1 11 ARG HB2 H -6.938 -5.455 -0.131 1.00 . A A . 11 ARG HB2 1 1
10 2039 1 1 11 ARG HB3 H -6.300 -6.376 -1.484 1.00 . A A . 11 ARG HB3 1 1
10 2040 1 1 11 ARG HD2 H -5.103 -5.161 1.758 1.00 . A A . 11 ARG HD2 1 1
10 2041 1 1 11 ARG HD3 H -6.302 -6.356 2.290 1.00 . A A . 11 ARG HD3 1 1
10 2042 1 1 11 ARG HE H -3.658 -7.526 2.021 1.00 . A A . 11 ARG HE 1 1
10 2043 1 1 11 ARG HG2 H -5.940 -7.741 0.422 1.00 . A A . 11 ARG HG2 1 1
10 2044 1 1 11 ARG HG3 H -4.368 -7.034 0.083 1.00 . A A . 11 ARG HG3 1 1
10 2045 1 1 11 ARG HH11 H -6.053 -6.215 4.101 1.00 . A A . 11 ARG HH11 1 1
10 2046 1 1 11 ARG HH12 H -5.112 -6.429 5.544 1.00 . A A . 11 ARG HH12 1 1
10 2047 1 1 11 ARG HH21 H -2.304 -7.575 3.868 1.00 . A A . 11 ARG HH21 1 1
10 2048 1 1 11 ARG HH22 H -2.996 -7.193 5.410 1.00 . A A . 11 ARG HH22 1 1
10 2049 1 1 11 ARG N N -3.882 -4.754 -0.105 1.00 . A A . 11 ARG N 1 1
10 2050 1 1 11 ARG NE N -4.288 -6.971 2.526 1.00 . A A . 11 ARG NE 1 1
10 2051 1 1 11 ARG NH1 N -5.196 -6.481 4.545 1.00 . A A . 11 ARG NH1 1 1
10 2052 1 1 11 ARG NH2 N -3.077 -7.250 4.414 1.00 . A A . 11 ARG NH2 1 1
10 2053 1 1 11 ARG O O -6.788 -3.290 0.078 1.00 . A A . 11 ARG O 1 1
10 2054 1 1 12 CYS C C -7.402 -0.906 -1.671 1.00 . A A . 12 CYS C 1 1
10 2055 1 1 12 CYS CA C -6.028 -0.942 -0.998 1.00 . A A . 12 CYS CA 1 1
10 2056 1 1 12 CYS CB C -5.095 0.098 -1.623 1.00 . A A . 12 CYS CB 1 1
10 2057 1 1 12 CYS H H -4.592 -2.314 -1.841 1.00 . A A . 12 CYS H 1 1
10 2058 1 1 12 CYS HA H -6.123 -0.762 0.062 1.00 . A A . 12 CYS HA 1 1
10 2059 1 1 12 CYS HB2 H -4.741 -0.263 -2.578 1.00 . A A . 12 CYS HB2 1 1
10 2060 1 1 12 CYS HB3 H -5.635 1.025 -1.765 1.00 . A A . 12 CYS HB3 1 1
10 2061 1 1 12 CYS N N -5.369 -2.258 -1.244 1.00 . A A . 12 CYS N 1 1
10 2062 1 1 12 CYS O O -8.191 -0.008 -1.450 1.00 . A A . 12 CYS O 1 1
10 2063 1 1 12 CYS SG S -3.684 0.386 -0.525 1.00 . A A . 12 CYS SG 1 1
10 2064 1 1 13 THR C C -9.568 -3.329 -3.218 1.00 . A A . 13 THR C 1 1
10 2065 1 1 13 THR CA C -9.019 -1.900 -3.176 1.00 . A A . 13 THR CA 1 1
10 2066 1 1 13 THR CB C -8.742 -1.387 -4.591 1.00 . A A . 13 THR CB 1 1
10 2067 1 1 13 THR CG2 C -9.839 -0.404 -5.001 1.00 . A A . 13 THR CG2 1 1
10 2068 1 1 13 THR H H -7.045 -2.593 -2.655 1.00 . A A . 13 THR H 1 1
10 2069 1 1 13 THR HA H -9.712 -1.244 -2.675 1.00 . A A . 13 THR HA 1 1
10 2070 1 1 13 THR HB H -8.730 -2.214 -5.282 1.00 . A A . 13 THR HB 1 1
10 2071 1 1 13 THR HG1 H -7.091 -0.870 -5.481 1.00 . A A . 13 THR HG1 1 1
10 2072 1 1 13 THR HG21 H -10.643 -0.441 -4.282 1.00 . A A . 13 THR HG21 1 1
10 2073 1 1 13 THR HG22 H -9.433 0.597 -5.036 1.00 . A A . 13 THR HG22 1 1
10 2074 1 1 13 THR HG23 H -10.217 -0.674 -5.976 1.00 . A A . 13 THR HG23 1 1
10 2075 1 1 13 THR N N -7.696 -1.878 -2.491 1.00 . A A . 13 THR N 1 1
10 2076 1 1 13 THR O O -9.049 -4.176 -3.918 1.00 . A A . 13 THR O 1 1
10 2077 1 1 13 THR OG1 O -7.483 -0.727 -4.616 1.00 . A A . 13 THR OG1 1 1
10 2078 1 1 14 NH2 HN1 H -11.027 -2.951 -1.921 1.00 . A A . 14 NH2 HN1 1 1
10 2079 1 1 14 NH2 HN2 H -10.964 -4.553 -2.506 1.00 . A A . 14 NH2 HN2 1 1
10 2080 1 1 14 NH2 N N -10.605 -3.636 -2.488 1.00 . A A . 14 NH2 N 1 1
11 2081 1 1 1 ILE C C -4.032 5.654 0.683 1.00 . A A . 1 ILE C 1 1
11 2082 1 1 1 ILE CA C -5.080 6.615 0.107 1.00 . A A . 1 ILE CA 1 1
11 2083 1 1 1 ILE CB C -6.508 6.247 0.549 1.00 . A A . 1 ILE CB 1 1
11 2084 1 1 1 ILE CD1 C -6.116 6.515 3.005 1.00 . A A . 1 ILE CD1 1 1
11 2085 1 1 1 ILE CG1 C -6.878 7.058 1.795 1.00 . A A . 1 ILE CG1 1 1
11 2086 1 1 1 ILE CG2 C -6.612 4.749 0.863 1.00 . A A . 1 ILE CG2 1 1
11 2087 1 1 1 ILE H1 H -4.128 6.552 -1.746 1.00 . A A . 1 ILE H1 1 1
11 2088 1 1 1 ILE H2 H -5.539 5.608 -1.656 1.00 . A A . 1 ILE H2 1 1
11 2089 1 1 1 ILE H3 H -5.651 7.299 -1.775 1.00 . A A . 1 ILE H3 1 1
11 2090 1 1 1 ILE HA H -4.855 7.627 0.403 1.00 . A A . 1 ILE HA 1 1
11 2091 1 1 1 ILE HB H -7.197 6.489 -0.248 1.00 . A A . 1 ILE HB 1 1
11 2092 1 1 1 ILE HD11 H -6.368 5.475 3.150 1.00 . A A . 1 ILE HD11 1 1
11 2093 1 1 1 ILE HD12 H -5.053 6.605 2.832 1.00 . A A . 1 ILE HD12 1 1
11 2094 1 1 1 ILE HD13 H -6.385 7.078 3.887 1.00 . A A . 1 ILE HD13 1 1
11 2095 1 1 1 ILE HG12 H -6.615 8.094 1.639 1.00 . A A . 1 ILE HG12 1 1
11 2096 1 1 1 ILE HG13 H -7.940 6.979 1.976 1.00 . A A . 1 ILE HG13 1 1
11 2097 1 1 1 ILE HG21 H -6.199 4.181 0.042 1.00 . A A . 1 ILE HG21 1 1
11 2098 1 1 1 ILE HG22 H -6.058 4.530 1.765 1.00 . A A . 1 ILE HG22 1 1
11 2099 1 1 1 ILE HG23 H -7.648 4.479 1.001 1.00 . A A . 1 ILE HG23 1 1
11 2100 1 1 1 ILE N N -5.102 6.510 -1.380 1.00 . A A . 1 ILE N 1 1
11 2101 1 1 1 ILE O O -3.434 5.912 1.710 1.00 . A A . 1 ILE O 1 1
11 2102 1 1 2 CYS C C -1.656 3.420 -0.480 1.00 . A A . 2 CYS C 1 1
11 2103 1 1 2 CYS CA C -2.789 3.585 0.531 1.00 . A A . 2 CYS CA 1 1
11 2104 1 1 2 CYS CB C -3.539 2.271 0.701 1.00 . A A . 2 CYS CB 1 1
11 2105 1 1 2 CYS H H -4.291 4.365 -0.803 1.00 . A A . 2 CYS H 1 1
11 2106 1 1 2 CYS HA H -2.400 3.911 1.483 1.00 . A A . 2 CYS HA 1 1
11 2107 1 1 2 CYS HB2 H -2.846 1.507 1.022 1.00 . A A . 2 CYS HB2 1 1
11 2108 1 1 2 CYS HB3 H -4.316 2.391 1.441 1.00 . A A . 2 CYS HB3 1 1
11 2109 1 1 2 CYS N N -3.802 4.553 0.026 1.00 . A A . 2 CYS N 1 1
11 2110 1 1 2 CYS O O -1.821 2.835 -1.534 1.00 . A A . 2 CYS O 1 1
11 2111 1 1 2 CYS SG S -4.278 1.794 -0.881 1.00 . A A . 2 CYS SG 1 1
11 2112 1 1 3 VAL C C 1.915 3.443 -0.299 1.00 . A A . 3 VAL C 1 1
11 2113 1 1 3 VAL CA C 0.658 3.808 -1.084 1.00 . A A . 3 VAL CA 1 1
11 2114 1 1 3 VAL CB C 0.771 5.193 -1.733 1.00 . A A . 3 VAL CB 1 1
11 2115 1 1 3 VAL CG1 C 2.240 5.610 -1.895 1.00 . A A . 3 VAL CG1 1 1
11 2116 1 1 3 VAL CG2 C 0.104 5.161 -3.111 1.00 . A A . 3 VAL CG2 1 1
11 2117 1 1 3 VAL H H -0.405 4.390 0.698 1.00 . A A . 3 VAL H 1 1
11 2118 1 1 3 VAL HA H 0.461 3.064 -1.822 1.00 . A A . 3 VAL HA 1 1
11 2119 1 1 3 VAL HB H 0.266 5.909 -1.105 1.00 . A A . 3 VAL HB 1 1
11 2120 1 1 3 VAL HG11 H 2.793 4.807 -2.360 1.00 . A A . 3 VAL HG11 1 1
11 2121 1 1 3 VAL HG12 H 2.298 6.493 -2.515 1.00 . A A . 3 VAL HG12 1 1
11 2122 1 1 3 VAL HG13 H 2.664 5.823 -0.924 1.00 . A A . 3 VAL HG13 1 1
11 2123 1 1 3 VAL HG21 H -0.639 4.377 -3.136 1.00 . A A . 3 VAL HG21 1 1
11 2124 1 1 3 VAL HG22 H -0.368 6.112 -3.304 1.00 . A A . 3 VAL HG22 1 1
11 2125 1 1 3 VAL HG23 H 0.852 4.972 -3.869 1.00 . A A . 3 VAL HG23 1 1
11 2126 1 1 3 VAL N N -0.505 3.929 -0.158 1.00 . A A . 3 VAL N 1 1
11 2127 1 1 3 VAL O O 3.005 3.386 -0.831 1.00 . A A . 3 VAL O 1 1
11 2128 1 1 4 VAL C C 3.498 1.486 1.350 1.00 . A A . 4 VAL C 1 1
11 2129 1 1 4 VAL CA C 2.933 2.830 1.797 1.00 . A A . 4 VAL CA 1 1
11 2130 1 1 4 VAL CB C 2.434 2.761 3.248 1.00 . A A . 4 VAL CB 1 1
11 2131 1 1 4 VAL CG1 C 1.036 2.142 3.308 1.00 . A A . 4 VAL CG1 1 1
11 2132 1 1 4 VAL CG2 C 3.393 1.911 4.091 1.00 . A A . 4 VAL CG2 1 1
11 2133 1 1 4 VAL H H 0.867 3.252 1.337 1.00 . A A . 4 VAL H 1 1
11 2134 1 1 4 VAL HA H 3.692 3.590 1.713 1.00 . A A . 4 VAL HA 1 1
11 2135 1 1 4 VAL HB H 2.404 3.756 3.649 1.00 . A A . 4 VAL HB 1 1
11 2136 1 1 4 VAL HG11 H 0.901 1.476 2.469 1.00 . A A . 4 VAL HG11 1 1
11 2137 1 1 4 VAL HG12 H 0.929 1.588 4.229 1.00 . A A . 4 VAL HG12 1 1
11 2138 1 1 4 VAL HG13 H 0.294 2.926 3.271 1.00 . A A . 4 VAL HG13 1 1
11 2139 1 1 4 VAL HG21 H 4.411 2.112 3.794 1.00 . A A . 4 VAL HG21 1 1
11 2140 1 1 4 VAL HG22 H 3.268 2.158 5.135 1.00 . A A . 4 VAL HG22 1 1
11 2141 1 1 4 VAL HG23 H 3.173 0.863 3.941 1.00 . A A . 4 VAL HG23 1 1
11 2142 1 1 4 VAL N N 1.757 3.196 0.956 1.00 . A A . 4 VAL N 1 1
11 2143 1 1 4 VAL O O 2.829 0.683 0.728 1.00 . A A . 4 VAL O 1 1
11 2144 1 1 5 GLN C C 5.196 -0.281 -0.225 1.00 . A A . 5 GLN C 1 1
11 2145 1 1 5 GLN CA C 5.378 -0.030 1.267 1.00 . A A . 5 GLN CA 1 1
11 2146 1 1 5 GLN CB C 4.670 -1.109 2.064 1.00 . A A . 5 GLN CB 1 1
11 2147 1 1 5 GLN CD C 4.273 -1.823 4.423 1.00 . A A . 5 GLN CD 1 1
11 2148 1 1 5 GLN CG C 5.278 -1.189 3.464 1.00 . A A . 5 GLN CG 1 1
11 2149 1 1 5 GLN H H 5.240 1.921 2.161 1.00 . A A . 5 GLN H 1 1
11 2150 1 1 5 GLN HA H 6.425 -0.015 1.522 1.00 . A A . 5 GLN HA 1 1
11 2151 1 1 5 GLN HB2 H 3.620 -0.873 2.134 1.00 . A A . 5 GLN HB2 1 1
11 2152 1 1 5 GLN HB3 H 4.797 -2.054 1.563 1.00 . A A . 5 GLN HB3 1 1
11 2153 1 1 5 GLN HE21 H 5.608 -2.060 5.872 1.00 . A A . 5 GLN HE21 1 1
11 2154 1 1 5 GLN HE22 H 4.033 -2.605 6.233 1.00 . A A . 5 GLN HE22 1 1
11 2155 1 1 5 GLN HG2 H 6.177 -1.788 3.432 1.00 . A A . 5 GLN HG2 1 1
11 2156 1 1 5 GLN HG3 H 5.521 -0.196 3.808 1.00 . A A . 5 GLN HG3 1 1
11 2157 1 1 5 GLN N N 4.732 1.248 1.664 1.00 . A A . 5 GLN N 1 1
11 2158 1 1 5 GLN NE2 N 4.671 -2.194 5.608 1.00 . A A . 5 GLN NE2 1 1
11 2159 1 1 5 GLN O O 4.181 -0.771 -0.671 1.00 . A A . 5 GLN O 1 1
11 2160 1 1 5 GLN OE1 O 3.116 -1.982 4.090 1.00 . A A . 5 GLN OE1 1 1
11 2161 1 1 6 ASP C C 6.337 -1.645 -2.785 1.00 . A A . 6 ASP C 1 1
11 2162 1 1 6 ASP CA C 6.112 -0.169 -2.466 1.00 . A A . 6 ASP CA 1 1
11 2163 1 1 6 ASP CB C 7.250 0.665 -3.039 1.00 . A A . 6 ASP CB 1 1
11 2164 1 1 6 ASP CG C 6.695 1.684 -4.036 1.00 . A A . 6 ASP CG 1 1
11 2165 1 1 6 ASP H H 6.988 0.432 -0.590 1.00 . A A . 6 ASP H 1 1
11 2166 1 1 6 ASP HA H 5.165 0.168 -2.856 1.00 . A A . 6 ASP HA 1 1
11 2167 1 1 6 ASP HB2 H 7.754 1.181 -2.235 1.00 . A A . 6 ASP HB2 1 1
11 2168 1 1 6 ASP HB3 H 7.950 0.015 -3.542 1.00 . A A . 6 ASP HB3 1 1
11 2169 1 1 6 ASP N N 6.187 0.047 -0.990 1.00 . A A . 6 ASP N 1 1
11 2170 1 1 6 ASP O O 5.959 -2.140 -3.829 1.00 . A A . 6 ASP O 1 1
11 2171 1 1 6 ASP OD1 O 6.280 2.745 -3.601 1.00 . A A . 6 ASP OD1 1 1
11 2172 1 1 6 ASP OD2 O 6.694 1.385 -5.220 1.00 . A A . 6 ASP OD2 1 1
11 2173 1 1 7 TRP C C 6.380 -4.627 -1.141 1.00 . A A . 7 TRP C 1 1
11 2174 1 1 7 TRP CA C 7.227 -3.797 -2.100 1.00 . A A . 7 TRP CA 1 1
11 2175 1 1 7 TRP CB C 8.717 -3.987 -1.793 1.00 . A A . 7 TRP CB 1 1
11 2176 1 1 7 TRP CD1 C 9.920 -2.058 -0.690 1.00 . A A . 7 TRP CD1 1 1
11 2177 1 1 7 TRP CD2 C 8.753 -3.287 0.786 1.00 . A A . 7 TRP CD2 1 1
11 2178 1 1 7 TRP CE2 C 9.373 -2.249 1.521 1.00 . A A . 7 TRP CE2 1 1
11 2179 1 1 7 TRP CE3 C 7.956 -4.206 1.486 1.00 . A A . 7 TRP CE3 1 1
11 2180 1 1 7 TRP CG C 9.119 -3.143 -0.620 1.00 . A A . 7 TRP CG 1 1
11 2181 1 1 7 TRP CH2 C 8.407 -3.052 3.582 1.00 . A A . 7 TRP CH2 1 1
11 2182 1 1 7 TRP CZ2 C 9.205 -2.128 2.901 1.00 . A A . 7 TRP CZ2 1 1
11 2183 1 1 7 TRP CZ3 C 7.783 -4.090 2.876 1.00 . A A . 7 TRP CZ3 1 1
11 2184 1 1 7 TRP H H 7.247 -1.917 -1.054 1.00 . A A . 7 TRP H 1 1
11 2185 1 1 7 TRP HA H 7.022 -4.070 -3.123 1.00 . A A . 7 TRP HA 1 1
11 2186 1 1 7 TRP HB2 H 8.903 -5.023 -1.565 1.00 . A A . 7 TRP HB2 1 1
11 2187 1 1 7 TRP HB3 H 9.297 -3.698 -2.656 1.00 . A A . 7 TRP HB3 1 1
11 2188 1 1 7 TRP HD1 H 10.365 -1.669 -1.591 1.00 . A A . 7 TRP HD1 1 1
11 2189 1 1 7 TRP HE1 H 10.605 -0.733 0.799 1.00 . A A . 7 TRP HE1 1 1
11 2190 1 1 7 TRP HE3 H 7.472 -5.008 0.950 1.00 . A A . 7 TRP HE3 1 1
11 2191 1 1 7 TRP HH2 H 8.272 -2.967 4.649 1.00 . A A . 7 TRP HH2 1 1
11 2192 1 1 7 TRP HZ2 H 9.688 -1.327 3.439 1.00 . A A . 7 TRP HZ2 1 1
11 2193 1 1 7 TRP HZ3 H 7.165 -4.802 3.403 1.00 . A A . 7 TRP HZ3 1 1
11 2194 1 1 7 TRP N N 6.957 -2.347 -1.882 1.00 . A A . 7 TRP N 1 1
11 2195 1 1 7 TRP NE1 N 10.071 -1.525 0.577 1.00 . A A . 7 TRP NE1 1 1
11 2196 1 1 7 TRP O O 6.198 -5.816 -1.316 1.00 . A A . 7 TRP O 1 1
11 2197 1 1 8 GLY C C 3.572 -4.352 0.687 1.00 . A A . 8 GLY C 1 1
11 2198 1 1 8 GLY CA C 5.040 -4.736 0.871 1.00 . A A . 8 GLY CA 1 1
11 2199 1 1 8 GLY H H 6.038 -3.047 -0.004 1.00 . A A . 8 GLY H 1 1
11 2200 1 1 8 GLY HA2 H 5.163 -5.799 0.723 1.00 . A A . 8 GLY HA2 1 1
11 2201 1 1 8 GLY HA3 H 5.359 -4.468 1.866 1.00 . A A . 8 GLY HA3 1 1
11 2202 1 1 8 GLY N N 5.869 -4.002 -0.121 1.00 . A A . 8 GLY N 1 1
11 2203 1 1 8 GLY O O 2.982 -3.693 1.520 1.00 . A A . 8 GLY O 1 1
11 2204 1 1 9 HIS C C 0.622 -5.504 -0.146 1.00 . A A . 9 HIS C 1 1
11 2205 1 1 9 HIS CA C 1.554 -4.401 -0.663 1.00 . A A . 9 HIS CA 1 1
11 2206 1 1 9 HIS CB C 1.450 -4.287 -2.184 1.00 . A A . 9 HIS CB 1 1
11 2207 1 1 9 HIS CD2 C 3.115 -2.276 -2.449 1.00 . A A . 9 HIS CD2 1 1
11 2208 1 1 9 HIS CE1 C 1.821 -0.939 -3.558 1.00 . A A . 9 HIS CE1 1 1
11 2209 1 1 9 HIS CG C 1.920 -2.929 -2.619 1.00 . A A . 9 HIS CG 1 1
11 2210 1 1 9 HIS H H 3.485 -5.270 -1.068 1.00 . A A . 9 HIS H 1 1
11 2211 1 1 9 HIS HA H 1.310 -3.455 -0.207 1.00 . A A . 9 HIS HA 1 1
11 2212 1 1 9 HIS HB2 H 2.068 -5.045 -2.644 1.00 . A A . 9 HIS HB2 1 1
11 2213 1 1 9 HIS HB3 H 0.421 -4.427 -2.486 1.00 . A A . 9 HIS HB3 1 1
11 2214 1 1 9 HIS HD1 H 0.189 -2.228 -3.616 1.00 . A A . 9 HIS HD1 1 1
11 2215 1 1 9 HIS HD2 H 3.974 -2.675 -1.932 1.00 . A A . 9 HIS HD2 1 1
11 2216 1 1 9 HIS HE1 H 1.444 -0.081 -4.092 1.00 . A A . 9 HIS HE1 1 1
11 2217 1 1 9 HIS N N 2.984 -4.749 -0.408 1.00 . A A . 9 HIS N 1 1
11 2218 1 1 9 HIS ND1 N 1.109 -2.058 -3.329 1.00 . A A . 9 HIS ND1 1 1
11 2219 1 1 9 HIS NE2 N 3.050 -1.019 -3.043 1.00 . A A . 9 HIS NE2 1 1
11 2220 1 1 9 HIS O O 0.962 -6.672 -0.150 1.00 . A A . 9 HIS O 1 1
11 2221 1 1 10 HIS C C -2.715 -6.282 -0.130 1.00 . A A . 10 HIS C 1 1
11 2222 1 1 10 HIS CA C -1.510 -6.173 0.809 1.00 . A A . 10 HIS CA 1 1
11 2223 1 1 10 HIS CB C -1.973 -5.703 2.203 1.00 . A A . 10 HIS CB 1 1
11 2224 1 1 10 HIS CD2 C -1.426 -3.151 2.558 1.00 . A A . 10 HIS CD2 1 1
11 2225 1 1 10 HIS CE1 C 0.473 -3.376 3.576 1.00 . A A . 10 HIS CE1 1 1
11 2226 1 1 10 HIS CG C -1.187 -4.499 2.663 1.00 . A A . 10 HIS CG 1 1
11 2227 1 1 10 HIS H H -0.810 -4.196 0.288 1.00 . A A . 10 HIS H 1 1
11 2228 1 1 10 HIS HA H -1.018 -7.126 0.890 1.00 . A A . 10 HIS HA 1 1
11 2229 1 1 10 HIS HB2 H -3.021 -5.447 2.161 1.00 . A A . 10 HIS HB2 1 1
11 2230 1 1 10 HIS HB3 H -1.836 -6.508 2.910 1.00 . A A . 10 HIS HB3 1 1
11 2231 1 1 10 HIS HD1 H 0.482 -5.456 3.549 1.00 . A A . 10 HIS HD1 1 1
11 2232 1 1 10 HIS HD2 H -2.296 -2.707 2.099 1.00 . A A . 10 HIS HD2 1 1
11 2233 1 1 10 HIS HE1 H 1.404 -3.159 4.076 1.00 . A A . 10 HIS HE1 1 1
11 2234 1 1 10 HIS N N -0.554 -5.143 0.294 1.00 . A A . 10 HIS N 1 1
11 2235 1 1 10 HIS ND1 N 0.028 -4.618 3.317 1.00 . A A . 10 HIS ND1 1 1
11 2236 1 1 10 HIS NE2 N -0.376 -2.443 3.135 1.00 . A A . 10 HIS NE2 1 1
11 2237 1 1 10 HIS O O -2.832 -7.213 -0.901 1.00 . A A . 10 HIS O 1 1
11 2238 1 1 11 ARG C C -5.704 -4.162 -0.678 1.00 . A A . 11 ARG C 1 1
11 2239 1 1 11 ARG CA C -4.817 -5.380 -0.940 1.00 . A A . 11 ARG CA 1 1
11 2240 1 1 11 ARG CB C -5.553 -6.659 -0.541 1.00 . A A . 11 ARG CB 1 1
11 2241 1 1 11 ARG CD C -5.009 -7.782 1.624 1.00 . A A . 11 ARG CD 1 1
11 2242 1 1 11 ARG CG C -5.800 -6.647 0.968 1.00 . A A . 11 ARG CG 1 1
11 2243 1 1 11 ARG CZ C -6.087 -9.853 2.279 1.00 . A A . 11 ARG CZ 1 1
11 2244 1 1 11 ARG H H -3.493 -4.601 0.572 1.00 . A A . 11 ARG H 1 1
11 2245 1 1 11 ARG HA H -4.532 -5.427 -1.978 1.00 . A A . 11 ARG HA 1 1
11 2246 1 1 11 ARG HB2 H -6.500 -6.705 -1.062 1.00 . A A . 11 ARG HB2 1 1
11 2247 1 1 11 ARG HB3 H -4.954 -7.517 -0.801 1.00 . A A . 11 ARG HB3 1 1
11 2248 1 1 11 ARG HD2 H -4.555 -8.406 0.867 1.00 . A A . 11 ARG HD2 1 1
11 2249 1 1 11 ARG HD3 H -4.255 -7.382 2.287 1.00 . A A . 11 ARG HD3 1 1
11 2250 1 1 11 ARG HE H -6.628 -8.087 3.010 1.00 . A A . 11 ARG HE 1 1
11 2251 1 1 11 ARG HG2 H -5.477 -5.699 1.377 1.00 . A A . 11 ARG HG2 1 1
11 2252 1 1 11 ARG HG3 H -6.853 -6.783 1.164 1.00 . A A . 11 ARG HG3 1 1
11 2253 1 1 11 ARG HH11 H -6.740 -9.786 0.385 1.00 . A A . 11 ARG HH11 1 1
11 2254 1 1 11 ARG HH12 H -6.544 -11.376 1.059 1.00 . A A . 11 ARG HH12 1 1
11 2255 1 1 11 ARG HH21 H -5.453 -10.223 4.143 1.00 . A A . 11 ARG HH21 1 1
11 2256 1 1 11 ARG HH22 H -5.809 -11.619 3.182 1.00 . A A . 11 ARG HH22 1 1
11 2257 1 1 11 ARG N N -3.611 -5.338 -0.061 1.00 . A A . 11 ARG N 1 1
11 2258 1 1 11 ARG NE N -6.018 -8.555 2.404 1.00 . A A . 11 ARG NE 1 1
11 2259 1 1 11 ARG NH1 N -6.488 -10.379 1.153 1.00 . A A . 11 ARG NH1 1 1
11 2260 1 1 11 ARG NH2 N -5.758 -10.625 3.279 1.00 . A A . 11 ARG NH2 1 1
11 2261 1 1 11 ARG O O -6.595 -4.201 0.148 1.00 . A A . 11 ARG O 1 1
11 2262 1 1 12 CYS C C -7.711 -2.099 -1.746 1.00 . A A . 12 CYS C 1 1
11 2263 1 1 12 CYS CA C -6.318 -1.874 -1.155 1.00 . A A . 12 CYS CA 1 1
11 2264 1 1 12 CYS CB C -5.584 -0.750 -1.886 1.00 . A A . 12 CYS CB 1 1
11 2265 1 1 12 CYS H H -4.756 -3.070 -2.038 1.00 . A A . 12 CYS H 1 1
11 2266 1 1 12 CYS HA H -6.387 -1.648 -0.103 1.00 . A A . 12 CYS HA 1 1
11 2267 1 1 12 CYS HB2 H -5.239 -1.108 -2.845 1.00 . A A . 12 CYS HB2 1 1
11 2268 1 1 12 CYS HB3 H -6.256 0.086 -2.029 1.00 . A A . 12 CYS HB3 1 1
11 2269 1 1 12 CYS N N -5.477 -3.085 -1.372 1.00 . A A . 12 CYS N 1 1
11 2270 1 1 12 CYS O O -8.579 -2.665 -1.110 1.00 . A A . 12 CYS O 1 1
11 2271 1 1 12 CYS SG S -4.165 -0.222 -0.892 1.00 . A A . 12 CYS SG 1 1
11 2272 1 1 13 THR C C -9.101 -2.561 -4.945 1.00 . A A . 13 THR C 1 1
11 2273 1 1 13 THR CA C -9.267 -1.875 -3.585 1.00 . A A . 13 THR CA 1 1
11 2274 1 1 13 THR CB C -9.855 -0.473 -3.754 1.00 . A A . 13 THR CB 1 1
11 2275 1 1 13 THR CG2 C -9.739 0.293 -2.435 1.00 . A A . 13 THR CG2 1 1
11 2276 1 1 13 THR H H -7.219 -1.225 -3.460 1.00 . A A . 13 THR H 1 1
11 2277 1 1 13 THR HA H -9.897 -2.465 -2.940 1.00 . A A . 13 THR HA 1 1
11 2278 1 1 13 THR HB H -10.896 -0.549 -4.029 1.00 . A A . 13 THR HB 1 1
11 2279 1 1 13 THR HG1 H -8.364 0.612 -4.376 1.00 . A A . 13 THR HG1 1 1
11 2280 1 1 13 THR HG21 H -9.292 -0.343 -1.686 1.00 . A A . 13 THR HG21 1 1
11 2281 1 1 13 THR HG22 H -9.120 1.166 -2.581 1.00 . A A . 13 THR HG22 1 1
11 2282 1 1 13 THR HG23 H -10.722 0.599 -2.110 1.00 . A A . 13 THR HG23 1 1
11 2283 1 1 13 THR N N -7.931 -1.672 -2.959 1.00 . A A . 13 THR N 1 1
11 2284 1 1 13 THR O O -10.052 -3.063 -5.510 1.00 . A A . 13 THR O 1 1
11 2285 1 1 13 THR OG1 O -9.145 0.220 -4.771 1.00 . A A . 13 THR OG1 1 1
11 2286 1 1 14 NH2 HN1 H -7.149 -2.198 -5.038 1.00 . A A . 14 NH2 HN1 1 1
11 2287 1 1 14 NH2 HN2 H -7.800 -3.048 -6.367 1.00 . A A . 14 NH2 HN2 1 1
11 2288 1 1 14 NH2 N N -7.919 -2.605 -5.495 1.00 . A A . 14 NH2 N 1 1
12 2289 1 1 1 ILE C C -3.528 5.478 0.694 1.00 . A A . 1 ILE C 1 1
12 2290 1 1 1 ILE CA C -4.481 6.555 0.158 1.00 . A A . 1 ILE CA 1 1
12 2291 1 1 1 ILE CB C -4.928 7.508 1.273 1.00 . A A . 1 ILE CB 1 1
12 2292 1 1 1 ILE CD1 C -2.584 7.899 2.062 1.00 . A A . 1 ILE CD1 1 1
12 2293 1 1 1 ILE CG1 C -3.845 8.565 1.509 1.00 . A A . 1 ILE CG1 1 1
12 2294 1 1 1 ILE CG2 C -5.170 6.726 2.568 1.00 . A A . 1 ILE CG2 1 1
12 2295 1 1 1 ILE H1 H -5.503 5.141 -0.979 1.00 . A A . 1 ILE H1 1 1
12 2296 1 1 1 ILE H2 H -6.286 5.562 0.465 1.00 . A A . 1 ILE H2 1 1
12 2297 1 1 1 ILE H3 H -6.301 6.634 -0.852 1.00 . A A . 1 ILE H3 1 1
12 2298 1 1 1 ILE HA H -4.005 7.114 -0.633 1.00 . A A . 1 ILE HA 1 1
12 2299 1 1 1 ILE HB H -5.846 7.994 0.976 1.00 . A A . 1 ILE HB 1 1
12 2300 1 1 1 ILE HD11 H -2.838 6.933 2.472 1.00 . A A . 1 ILE HD11 1 1
12 2301 1 1 1 ILE HD12 H -1.866 7.774 1.265 1.00 . A A . 1 ILE HD12 1 1
12 2302 1 1 1 ILE HD13 H -2.158 8.518 2.837 1.00 . A A . 1 ILE HD13 1 1
12 2303 1 1 1 ILE HG12 H -3.613 9.056 0.576 1.00 . A A . 1 ILE HG12 1 1
12 2304 1 1 1 ILE HG13 H -4.204 9.296 2.220 1.00 . A A . 1 ILE HG13 1 1
12 2305 1 1 1 ILE HG21 H -5.659 5.791 2.338 1.00 . A A . 1 ILE HG21 1 1
12 2306 1 1 1 ILE HG22 H -4.224 6.527 3.051 1.00 . A A . 1 ILE HG22 1 1
12 2307 1 1 1 ILE HG23 H -5.796 7.307 3.228 1.00 . A A . 1 ILE HG23 1 1
12 2308 1 1 1 ILE N N -5.737 5.926 -0.340 1.00 . A A . 1 ILE N 1 1
12 2309 1 1 1 ILE O O -2.336 5.691 0.805 1.00 . A A . 1 ILE O 1 1
12 2310 1 1 2 CYS C C -2.330 2.647 0.396 1.00 . A A . 2 CYS C 1 1
12 2311 1 1 2 CYS CA C -3.147 3.245 1.539 1.00 . A A . 2 CYS CA 1 1
12 2312 1 1 2 CYS CB C -4.074 2.194 2.134 1.00 . A A . 2 CYS CB 1 1
12 2313 1 1 2 CYS H H -5.000 4.161 0.919 1.00 . A A . 2 CYS H 1 1
12 2314 1 1 2 CYS HA H -2.493 3.635 2.303 1.00 . A A . 2 CYS HA 1 1
12 2315 1 1 2 CYS HB2 H -3.481 1.362 2.483 1.00 . A A . 2 CYS HB2 1 1
12 2316 1 1 2 CYS HB3 H -4.618 2.621 2.962 1.00 . A A . 2 CYS HB3 1 1
12 2317 1 1 2 CYS N N -4.038 4.321 1.020 1.00 . A A . 2 CYS N 1 1
12 2318 1 1 2 CYS O O -2.830 1.899 -0.419 1.00 . A A . 2 CYS O 1 1
12 2319 1 1 2 CYS SG S -5.235 1.621 0.871 1.00 . A A . 2 CYS SG 1 1
12 2320 1 1 3 VAL C C 1.248 2.451 -0.354 1.00 . A A . 3 VAL C 1 1
12 2321 1 1 3 VAL CA C -0.219 2.441 -0.764 1.00 . A A . 3 VAL CA 1 1
12 2322 1 1 3 VAL CB C -0.444 3.396 -1.924 1.00 . A A . 3 VAL CB 1 1
12 2323 1 1 3 VAL CG1 C 0.586 3.127 -3.023 1.00 . A A . 3 VAL CG1 1 1
12 2324 1 1 3 VAL CG2 C -1.857 3.204 -2.482 1.00 . A A . 3 VAL CG2 1 1
12 2325 1 1 3 VAL H H -0.707 3.589 0.999 1.00 . A A . 3 VAL H 1 1
12 2326 1 1 3 VAL HA H -0.526 1.451 -1.026 1.00 . A A . 3 VAL HA 1 1
12 2327 1 1 3 VAL HB H -0.330 4.406 -1.562 1.00 . A A . 3 VAL HB 1 1
12 2328 1 1 3 VAL HG11 H 0.929 2.105 -2.954 1.00 . A A . 3 VAL HG11 1 1
12 2329 1 1 3 VAL HG12 H 0.134 3.290 -3.990 1.00 . A A . 3 VAL HG12 1 1
12 2330 1 1 3 VAL HG13 H 1.427 3.795 -2.900 1.00 . A A . 3 VAL HG13 1 1
12 2331 1 1 3 VAL HG21 H -2.054 2.149 -2.608 1.00 . A A . 3 VAL HG21 1 1
12 2332 1 1 3 VAL HG22 H -2.576 3.625 -1.793 1.00 . A A . 3 VAL HG22 1 1
12 2333 1 1 3 VAL HG23 H -1.939 3.702 -3.436 1.00 . A A . 3 VAL HG23 1 1
12 2334 1 1 3 VAL N N -1.078 2.980 0.332 1.00 . A A . 3 VAL N 1 1
12 2335 1 1 3 VAL O O 2.140 2.315 -1.167 1.00 . A A . 3 VAL O 1 1
12 2336 1 1 4 VAL C C 3.603 1.327 0.984 1.00 . A A . 4 VAL C 1 1
12 2337 1 1 4 VAL CA C 2.905 2.627 1.380 1.00 . A A . 4 VAL CA 1 1
12 2338 1 1 4 VAL CB C 2.816 2.769 2.899 1.00 . A A . 4 VAL CB 1 1
12 2339 1 1 4 VAL CG1 C 1.828 1.744 3.462 1.00 . A A . 4 VAL CG1 1 1
12 2340 1 1 4 VAL CG2 C 4.191 2.548 3.530 1.00 . A A . 4 VAL CG2 1 1
12 2341 1 1 4 VAL H H 0.759 2.710 1.524 1.00 . A A . 4 VAL H 1 1
12 2342 1 1 4 VAL HA H 3.429 3.473 0.963 1.00 . A A . 4 VAL HA 1 1
12 2343 1 1 4 VAL HB H 2.477 3.760 3.135 1.00 . A A . 4 VAL HB 1 1
12 2344 1 1 4 VAL HG11 H 1.317 1.251 2.649 1.00 . A A . 4 VAL HG11 1 1
12 2345 1 1 4 VAL HG12 H 2.365 1.012 4.046 1.00 . A A . 4 VAL HG12 1 1
12 2346 1 1 4 VAL HG13 H 1.107 2.246 4.089 1.00 . A A . 4 VAL HG13 1 1
12 2347 1 1 4 VAL HG21 H 4.899 3.242 3.100 1.00 . A A . 4 VAL HG21 1 1
12 2348 1 1 4 VAL HG22 H 4.129 2.713 4.596 1.00 . A A . 4 VAL HG22 1 1
12 2349 1 1 4 VAL HG23 H 4.517 1.538 3.341 1.00 . A A . 4 VAL HG23 1 1
12 2350 1 1 4 VAL N N 1.498 2.607 0.900 1.00 . A A . 4 VAL N 1 1
12 2351 1 1 4 VAL O O 2.992 0.412 0.470 1.00 . A A . 4 VAL O 1 1
12 2352 1 1 5 GLN C C 5.360 -0.310 -0.648 1.00 . A A . 5 GLN C 1 1
12 2353 1 1 5 GLN CA C 5.626 0.019 0.819 1.00 . A A . 5 GLN CA 1 1
12 2354 1 1 5 GLN CB C 5.090 -1.098 1.706 1.00 . A A . 5 GLN CB 1 1
12 2355 1 1 5 GLN CD C 5.498 -1.910 4.036 1.00 . A A . 5 GLN CD 1 1
12 2356 1 1 5 GLN CG C 5.168 -0.687 3.178 1.00 . A A . 5 GLN CG 1 1
12 2357 1 1 5 GLN H H 5.349 2.009 1.603 1.00 . A A . 5 GLN H 1 1
12 2358 1 1 5 GLN HA H 6.683 0.150 0.990 1.00 . A A . 5 GLN HA 1 1
12 2359 1 1 5 GLN HB2 H 4.065 -1.301 1.440 1.00 . A A . 5 GLN HB2 1 1
12 2360 1 1 5 GLN HB3 H 5.685 -1.984 1.549 1.00 . A A . 5 GLN HB3 1 1
12 2361 1 1 5 GLN HE21 H 5.828 -0.843 5.680 1.00 . A A . 5 GLN HE21 1 1
12 2362 1 1 5 GLN HE22 H 6.024 -2.528 5.851 1.00 . A A . 5 GLN HE22 1 1
12 2363 1 1 5 GLN HG2 H 5.938 0.060 3.303 1.00 . A A . 5 GLN HG2 1 1
12 2364 1 1 5 GLN HG3 H 4.217 -0.281 3.489 1.00 . A A . 5 GLN HG3 1 1
12 2365 1 1 5 GLN N N 4.879 1.249 1.202 1.00 . A A . 5 GLN N 1 1
12 2366 1 1 5 GLN NE2 N 5.808 -1.747 5.292 1.00 . A A . 5 GLN NE2 1 1
12 2367 1 1 5 GLN O O 4.391 -0.959 -0.988 1.00 . A A . 5 GLN O 1 1
12 2368 1 1 5 GLN OE1 O 5.467 -3.027 3.560 1.00 . A A . 5 GLN OE1 1 1
12 2369 1 1 6 ASP C C 6.082 -1.643 -3.224 1.00 . A A . 6 ASP C 1 1
12 2370 1 1 6 ASP CA C 6.045 -0.138 -2.967 1.00 . A A . 6 ASP CA 1 1
12 2371 1 1 6 ASP CB C 7.241 0.540 -3.631 1.00 . A A . 6 ASP CB 1 1
12 2372 1 1 6 ASP CG C 6.749 1.624 -4.592 1.00 . A A . 6 ASP CG 1 1
12 2373 1 1 6 ASP H H 6.983 0.649 -1.196 1.00 . A A . 6 ASP H 1 1
12 2374 1 1 6 ASP HA H 5.124 0.292 -3.329 1.00 . A A . 6 ASP HA 1 1
12 2375 1 1 6 ASP HB2 H 7.866 0.985 -2.871 1.00 . A A . 6 ASP HB2 1 1
12 2376 1 1 6 ASP HB3 H 7.809 -0.195 -4.178 1.00 . A A . 6 ASP HB3 1 1
12 2377 1 1 6 ASP N N 6.219 0.134 -1.510 1.00 . A A . 6 ASP N 1 1
12 2378 1 1 6 ASP O O 5.600 -2.131 -4.227 1.00 . A A . 6 ASP O 1 1
12 2379 1 1 6 ASP OD1 O 6.146 1.272 -5.592 1.00 . A A . 6 ASP OD1 1 1
12 2380 1 1 6 ASP OD2 O 6.984 2.788 -4.311 1.00 . A A . 6 ASP OD2 1 1
12 2381 1 1 7 TRP C C 5.893 -4.539 -1.406 1.00 . A A . 7 TRP C 1 1
12 2382 1 1 7 TRP CA C 6.744 -3.856 -2.472 1.00 . A A . 7 TRP CA 1 1
12 2383 1 1 7 TRP CB C 8.222 -4.197 -2.257 1.00 . A A . 7 TRP CB 1 1
12 2384 1 1 7 TRP CD1 C 9.709 -2.377 -1.335 1.00 . A A . 7 TRP CD1 1 1
12 2385 1 1 7 TRP CD2 C 8.499 -3.384 0.267 1.00 . A A . 7 TRP CD2 1 1
12 2386 1 1 7 TRP CE2 C 9.279 -2.395 0.910 1.00 . A A . 7 TRP CE2 1 1
12 2387 1 1 7 TRP CE3 C 7.642 -4.166 1.055 1.00 . A A . 7 TRP CE3 1 1
12 2388 1 1 7 TRP CG C 8.794 -3.353 -1.160 1.00 . A A . 7 TRP CG 1 1
12 2389 1 1 7 TRP CH2 C 8.350 -2.977 3.058 1.00 . A A . 7 TRP CH2 1 1
12 2390 1 1 7 TRP CZ2 C 9.210 -2.190 2.288 1.00 . A A . 7 TRP CZ2 1 1
12 2391 1 1 7 TRP CZ3 C 7.567 -3.964 2.442 1.00 . A A . 7 TRP CZ3 1 1
12 2392 1 1 7 TRP H H 7.032 -1.948 -1.520 1.00 . A A . 7 TRP H 1 1
12 2393 1 1 7 TRP HA H 6.433 -4.155 -3.460 1.00 . A A . 7 TRP HA 1 1
12 2394 1 1 7 TRP HB2 H 8.308 -5.237 -1.987 1.00 . A A . 7 TRP HB2 1 1
12 2395 1 1 7 TRP HB3 H 8.766 -4.015 -3.170 1.00 . A A . 7 TRP HB3 1 1
12 2396 1 1 7 TRP HD1 H 10.142 -2.089 -2.277 1.00 . A A . 7 TRP HD1 1 1
12 2397 1 1 7 TRP HE1 H 10.639 -1.079 0.041 1.00 . A A . 7 TRP HE1 1 1
12 2398 1 1 7 TRP HE3 H 7.037 -4.926 0.589 1.00 . A A . 7 TRP HE3 1 1
12 2399 1 1 7 TRP HH2 H 8.288 -2.827 4.126 1.00 . A A . 7 TRP HH2 1 1
12 2400 1 1 7 TRP HZ2 H 9.815 -1.428 2.757 1.00 . A A . 7 TRP HZ2 1 1
12 2401 1 1 7 TRP HZ3 H 6.902 -4.571 3.038 1.00 . A A . 7 TRP HZ3 1 1
12 2402 1 1 7 TRP N N 6.656 -2.375 -2.315 1.00 . A A . 7 TRP N 1 1
12 2403 1 1 7 TRP NE1 N 10.002 -1.809 -0.108 1.00 . A A . 7 TRP NE1 1 1
12 2404 1 1 7 TRP O O 5.637 -5.726 -1.460 1.00 . A A . 7 TRP O 1 1
12 2405 1 1 8 GLY C C 3.188 -3.977 0.473 1.00 . A A . 8 GLY C 1 1
12 2406 1 1 8 GLY CA C 4.649 -4.377 0.662 1.00 . A A . 8 GLY CA 1 1
12 2407 1 1 8 GLY H H 5.700 -2.849 -0.410 1.00 . A A . 8 GLY H 1 1
12 2408 1 1 8 GLY HA2 H 4.738 -5.453 0.638 1.00 . A A . 8 GLY HA2 1 1
12 2409 1 1 8 GLY HA3 H 5.003 -4.006 1.611 1.00 . A A . 8 GLY HA3 1 1
12 2410 1 1 8 GLY N N 5.470 -3.794 -0.430 1.00 . A A . 8 GLY N 1 1
12 2411 1 1 8 GLY O O 2.650 -3.172 1.207 1.00 . A A . 8 GLY O 1 1
12 2412 1 1 9 HIS C C 0.208 -4.941 0.214 1.00 . A A . 9 HIS C 1 1
12 2413 1 1 9 HIS CA C 1.116 -4.190 -0.765 1.00 . A A . 9 HIS CA 1 1
12 2414 1 1 9 HIS CB C 0.849 -4.655 -2.197 1.00 . A A . 9 HIS CB 1 1
12 2415 1 1 9 HIS CD2 C 2.074 -2.479 -3.011 1.00 . A A . 9 HIS CD2 1 1
12 2416 1 1 9 HIS CE1 C 2.390 -3.049 -5.077 1.00 . A A . 9 HIS CE1 1 1
12 2417 1 1 9 HIS CG C 1.541 -3.735 -3.162 1.00 . A A . 9 HIS CG 1 1
12 2418 1 1 9 HIS H H 3.008 -5.171 -1.094 1.00 . A A . 9 HIS H 1 1
12 2419 1 1 9 HIS HA H 0.962 -3.126 -0.687 1.00 . A A . 9 HIS HA 1 1
12 2420 1 1 9 HIS HB2 H 1.225 -5.661 -2.325 1.00 . A A . 9 HIS HB2 1 1
12 2421 1 1 9 HIS HB3 H -0.215 -4.639 -2.386 1.00 . A A . 9 HIS HB3 1 1
12 2422 1 1 9 HIS HD1 H 1.490 -4.918 -4.918 1.00 . A A . 9 HIS HD1 1 1
12 2423 1 1 9 HIS HD2 H 2.078 -1.911 -2.092 1.00 . A A . 9 HIS HD2 1 1
12 2424 1 1 9 HIS HE1 H 2.685 -3.034 -6.116 1.00 . A A . 9 HIS HE1 1 1
12 2425 1 1 9 HIS N N 2.546 -4.533 -0.513 1.00 . A A . 9 HIS N 1 1
12 2426 1 1 9 HIS ND1 N 1.755 -4.079 -4.489 1.00 . A A . 9 HIS ND1 1 1
12 2427 1 1 9 HIS NE2 N 2.609 -2.047 -4.222 1.00 . A A . 9 HIS NE2 1 1
12 2428 1 1 9 HIS O O 0.421 -6.099 0.515 1.00 . A A . 9 HIS O 1 1
12 2429 1 1 10 HIS C C -2.987 -5.447 0.927 1.00 . A A . 10 HIS C 1 1
12 2430 1 1 10 HIS CA C -1.738 -4.960 1.665 1.00 . A A . 10 HIS CA 1 1
12 2431 1 1 10 HIS CB C -2.107 -3.882 2.685 1.00 . A A . 10 HIS CB 1 1
12 2432 1 1 10 HIS CD2 C -0.589 -3.205 4.721 1.00 . A A . 10 HIS CD2 1 1
12 2433 1 1 10 HIS CE1 C -0.380 -5.163 5.624 1.00 . A A . 10 HIS CE1 1 1
12 2434 1 1 10 HIS CG C -1.300 -4.081 3.940 1.00 . A A . 10 HIS CG 1 1
12 2435 1 1 10 HIS H H -0.966 -3.356 0.450 1.00 . A A . 10 HIS H 1 1
12 2436 1 1 10 HIS HA H -1.245 -5.780 2.157 1.00 . A A . 10 HIS HA 1 1
12 2437 1 1 10 HIS HB2 H -1.896 -2.908 2.271 1.00 . A A . 10 HIS HB2 1 1
12 2438 1 1 10 HIS HB3 H -3.158 -3.954 2.919 1.00 . A A . 10 HIS HB3 1 1
12 2439 1 1 10 HIS HD1 H -1.545 -6.167 4.221 1.00 . A A . 10 HIS HD1 1 1
12 2440 1 1 10 HIS HD2 H -0.493 -2.144 4.537 1.00 . A A . 10 HIS HD2 1 1
12 2441 1 1 10 HIS HE1 H -0.093 -5.966 6.287 1.00 . A A . 10 HIS HE1 1 1
12 2442 1 1 10 HIS N N -0.810 -4.288 0.709 1.00 . A A . 10 HIS N 1 1
12 2443 1 1 10 HIS ND1 N -1.154 -5.324 4.535 1.00 . A A . 10 HIS ND1 1 1
12 2444 1 1 10 HIS NE2 N -0.009 -3.890 5.784 1.00 . A A . 10 HIS NE2 1 1
12 2445 1 1 10 HIS O O -3.104 -6.605 0.580 1.00 . A A . 10 HIS O 1 1
12 2446 1 1 11 ARG C C -6.003 -3.749 -0.392 1.00 . A A . 11 ARG C 1 1
12 2447 1 1 11 ARG CA C -5.162 -4.978 -0.036 1.00 . A A . 11 ARG CA 1 1
12 2448 1 1 11 ARG CB C -5.915 -5.872 0.947 1.00 . A A . 11 ARG CB 1 1
12 2449 1 1 11 ARG CD C -6.453 -6.115 3.372 1.00 . A A . 11 ARG CD 1 1
12 2450 1 1 11 ARG CG C -6.135 -5.118 2.257 1.00 . A A . 11 ARG CG 1 1
12 2451 1 1 11 ARG CZ C -4.934 -7.047 5.012 1.00 . A A . 11 ARG CZ 1 1
12 2452 1 1 11 ARG H H -3.803 -3.641 0.971 1.00 . A A . 11 ARG H 1 1
12 2453 1 1 11 ARG HA H -4.915 -5.535 -0.927 1.00 . A A . 11 ARG HA 1 1
12 2454 1 1 11 ARG HB2 H -6.870 -6.148 0.524 1.00 . A A . 11 ARG HB2 1 1
12 2455 1 1 11 ARG HB3 H -5.336 -6.764 1.140 1.00 . A A . 11 ARG HB3 1 1
12 2456 1 1 11 ARG HD2 H -6.926 -5.611 4.203 1.00 . A A . 11 ARG HD2 1 1
12 2457 1 1 11 ARG HD3 H -7.086 -6.907 2.999 1.00 . A A . 11 ARG HD3 1 1
12 2458 1 1 11 ARG HE H -4.408 -6.745 3.121 1.00 . A A . 11 ARG HE 1 1
12 2459 1 1 11 ARG HG2 H -5.239 -4.568 2.511 1.00 . A A . 11 ARG HG2 1 1
12 2460 1 1 11 ARG HG3 H -6.959 -4.430 2.144 1.00 . A A . 11 ARG HG3 1 1
12 2461 1 1 11 ARG HH11 H -4.903 -5.180 5.741 1.00 . A A . 11 ARG HH11 1 1
12 2462 1 1 11 ARG HH12 H -4.681 -6.449 6.908 1.00 . A A . 11 ARG HH12 1 1
12 2463 1 1 11 ARG HH21 H -4.912 -9.000 4.569 1.00 . A A . 11 ARG HH21 1 1
12 2464 1 1 11 ARG HH22 H -4.691 -8.608 6.241 1.00 . A A . 11 ARG HH22 1 1
12 2465 1 1 11 ARG N N -3.920 -4.569 0.683 1.00 . A A . 11 ARG N 1 1
12 2466 1 1 11 ARG NE N -5.131 -6.667 3.779 1.00 . A A . 11 ARG NE 1 1
12 2467 1 1 11 ARG NH1 N -4.832 -6.156 5.960 1.00 . A A . 11 ARG NH1 1 1
12 2468 1 1 11 ARG NH2 N -4.837 -8.317 5.296 1.00 . A A . 11 ARG NH2 1 1
12 2469 1 1 11 ARG O O -7.187 -3.697 -0.126 1.00 . A A . 11 ARG O 1 1
12 2470 1 1 12 CYS C C -6.783 -1.707 -2.758 1.00 . A A . 12 CYS C 1 1
12 2471 1 1 12 CYS CA C -6.168 -1.540 -1.367 1.00 . A A . 12 CYS CA 1 1
12 2472 1 1 12 CYS CB C -5.136 -0.414 -1.365 1.00 . A A . 12 CYS CB 1 1
12 2473 1 1 12 CYS H H -4.447 -2.820 -1.201 1.00 . A A . 12 CYS H 1 1
12 2474 1 1 12 CYS HA H -6.933 -1.338 -0.639 1.00 . A A . 12 CYS HA 1 1
12 2475 1 1 12 CYS HB2 H -4.317 -0.673 -2.024 1.00 . A A . 12 CYS HB2 1 1
12 2476 1 1 12 CYS HB3 H -5.599 0.498 -1.707 1.00 . A A . 12 CYS HB3 1 1
12 2477 1 1 12 CYS N N -5.401 -2.760 -0.994 1.00 . A A . 12 CYS N 1 1
12 2478 1 1 12 CYS O O -7.986 -1.726 -2.919 1.00 . A A . 12 CYS O 1 1
12 2479 1 1 12 CYS SG S -4.505 -0.179 0.314 1.00 . A A . 12 CYS SG 1 1
12 2480 1 1 13 THR C C -6.719 -3.477 -5.455 1.00 . A A . 13 THR C 1 1
12 2481 1 1 13 THR CA C -6.494 -1.994 -5.146 1.00 . A A . 13 THR CA 1 1
12 2482 1 1 13 THR CB C -5.417 -1.413 -6.067 1.00 . A A . 13 THR CB 1 1
12 2483 1 1 13 THR CG2 C -6.031 -0.320 -6.942 1.00 . A A . 13 THR CG2 1 1
12 2484 1 1 13 THR H H -4.997 -1.809 -3.605 1.00 . A A . 13 THR H 1 1
12 2485 1 1 13 THR HA H -7.414 -1.443 -5.263 1.00 . A A . 13 THR HA 1 1
12 2486 1 1 13 THR HB H -5.025 -2.194 -6.700 1.00 . A A . 13 THR HB 1 1
12 2487 1 1 13 THR HG1 H -3.547 -1.290 -5.544 1.00 . A A . 13 THR HG1 1 1
12 2488 1 1 13 THR HG21 H -6.882 0.112 -6.435 1.00 . A A . 13 THR HG21 1 1
12 2489 1 1 13 THR HG22 H -5.295 0.448 -7.127 1.00 . A A . 13 THR HG22 1 1
12 2490 1 1 13 THR HG23 H -6.350 -0.748 -7.880 1.00 . A A . 13 THR HG23 1 1
12 2491 1 1 13 THR N N -5.962 -1.828 -3.761 1.00 . A A . 13 THR N 1 1
12 2492 1 1 13 THR O O -6.946 -3.850 -6.589 1.00 . A A . 13 THR O 1 1
12 2493 1 1 13 THR OG1 O -4.366 -0.862 -5.285 1.00 . A A . 13 THR OG1 1 1
12 2494 1 1 14 NH2 HN1 H -6.478 -4.047 -3.566 1.00 . A A . 14 NH2 HN1 1 1
12 2495 1 1 14 NH2 HN2 H -6.805 -5.303 -4.675 1.00 . A A . 14 NH2 HN2 1 1
12 2496 1 1 14 NH2 N N -6.663 -4.347 -4.485 1.00 . A A . 14 NH2 N 1 1
13 2497 1 1 1 ILE C C -4.394 5.260 -0.336 1.00 . A A . 1 ILE C 1 1
13 2498 1 1 1 ILE CA C -5.610 5.642 -1.189 1.00 . A A . 1 ILE CA 1 1
13 2499 1 1 1 ILE CB C -6.616 6.455 -0.376 1.00 . A A . 1 ILE CB 1 1
13 2500 1 1 1 ILE CD1 C -5.428 7.699 1.489 1.00 . A A . 1 ILE CD1 1 1
13 2501 1 1 1 ILE CG1 C -5.971 7.788 0.056 1.00 . A A . 1 ILE CG1 1 1
13 2502 1 1 1 ILE CG2 C -7.063 5.640 0.843 1.00 . A A . 1 ILE CG2 1 1
13 2503 1 1 1 ILE H1 H -5.721 3.784 -2.124 1.00 . A A . 1 ILE H1 1 1
13 2504 1 1 1 ILE H2 H -6.714 3.931 -0.757 1.00 . A A . 1 ILE H2 1 1
13 2505 1 1 1 ILE H3 H -7.155 4.693 -2.210 1.00 . A A . 1 ILE H3 1 1
13 2506 1 1 1 ILE HA H -5.299 6.201 -2.057 1.00 . A A . 1 ILE HA 1 1
13 2507 1 1 1 ILE HB H -7.478 6.660 -0.994 1.00 . A A . 1 ILE HB 1 1
13 2508 1 1 1 ILE HD11 H -4.881 6.777 1.613 1.00 . A A . 1 ILE HD11 1 1
13 2509 1 1 1 ILE HD12 H -4.772 8.536 1.678 1.00 . A A . 1 ILE HD12 1 1
13 2510 1 1 1 ILE HD13 H -6.250 7.723 2.186 1.00 . A A . 1 ILE HD13 1 1
13 2511 1 1 1 ILE HG12 H -5.159 8.023 -0.616 1.00 . A A . 1 ILE HG12 1 1
13 2512 1 1 1 ILE HG13 H -6.711 8.571 0.006 1.00 . A A . 1 ILE HG13 1 1
13 2513 1 1 1 ILE HG21 H -6.207 5.150 1.283 1.00 . A A . 1 ILE HG21 1 1
13 2514 1 1 1 ILE HG22 H -7.514 6.298 1.571 1.00 . A A . 1 ILE HG22 1 1
13 2515 1 1 1 ILE HG23 H -7.783 4.896 0.534 1.00 . A A . 1 ILE HG23 1 1
13 2516 1 1 1 ILE N N -6.356 4.420 -1.600 1.00 . A A . 1 ILE N 1 1
13 2517 1 1 1 ILE O O -3.640 6.106 0.102 1.00 . A A . 1 ILE O 1 1
13 2518 1 1 2 CYS C C -2.071 2.704 -0.159 1.00 . A A . 2 CYS C 1 1
13 2519 1 1 2 CYS CA C -3.009 3.558 0.700 1.00 . A A . 2 CYS CA 1 1
13 2520 1 1 2 CYS CB C -3.542 2.743 1.901 1.00 . A A . 2 CYS CB 1 1
13 2521 1 1 2 CYS H H -4.797 3.323 -0.493 1.00 . A A . 2 CYS H 1 1
13 2522 1 1 2 CYS HA H -2.480 4.426 1.060 1.00 . A A . 2 CYS HA 1 1
13 2523 1 1 2 CYS HB2 H -2.868 1.924 2.098 1.00 . A A . 2 CYS HB2 1 1
13 2524 1 1 2 CYS HB3 H -3.578 3.383 2.772 1.00 . A A . 2 CYS HB3 1 1
13 2525 1 1 2 CYS N N -4.189 3.991 -0.114 1.00 . A A . 2 CYS N 1 1
13 2526 1 1 2 CYS O O -2.430 1.639 -0.620 1.00 . A A . 2 CYS O 1 1
13 2527 1 1 2 CYS SG S -5.201 2.071 1.588 1.00 . A A . 2 CYS SG 1 1
13 2528 1 1 3 VAL C C 1.383 2.165 -0.413 1.00 . A A . 3 VAL C 1 1
13 2529 1 1 3 VAL CA C 0.103 2.407 -1.210 1.00 . A A . 3 VAL CA 1 1
13 2530 1 1 3 VAL CB C 0.363 3.313 -2.413 1.00 . A A . 3 VAL CB 1 1
13 2531 1 1 3 VAL CG1 C 1.707 2.977 -3.066 1.00 . A A . 3 VAL CG1 1 1
13 2532 1 1 3 VAL CG2 C -0.752 3.126 -3.444 1.00 . A A . 3 VAL CG2 1 1
13 2533 1 1 3 VAL H H -0.610 4.039 0.002 1.00 . A A . 3 VAL H 1 1
13 2534 1 1 3 VAL HA H -0.323 1.476 -1.522 1.00 . A A . 3 VAL HA 1 1
13 2535 1 1 3 VAL HB H 0.375 4.335 -2.072 1.00 . A A . 3 VAL HB 1 1
13 2536 1 1 3 VAL HG11 H 1.771 1.913 -3.235 1.00 . A A . 3 VAL HG11 1 1
13 2537 1 1 3 VAL HG12 H 1.788 3.497 -4.010 1.00 . A A . 3 VAL HG12 1 1
13 2538 1 1 3 VAL HG13 H 2.511 3.288 -2.416 1.00 . A A . 3 VAL HG13 1 1
13 2539 1 1 3 VAL HG21 H -1.637 2.752 -2.952 1.00 . A A . 3 VAL HG21 1 1
13 2540 1 1 3 VAL HG22 H -0.974 4.074 -3.911 1.00 . A A . 3 VAL HG22 1 1
13 2541 1 1 3 VAL HG23 H -0.432 2.419 -4.196 1.00 . A A . 3 VAL HG23 1 1
13 2542 1 1 3 VAL N N -0.871 3.173 -0.379 1.00 . A A . 3 VAL N 1 1
13 2543 1 1 3 VAL O O 2.410 1.794 -0.945 1.00 . A A . 3 VAL O 1 1
13 2544 1 1 4 VAL C C 3.284 0.928 1.289 1.00 . A A . 4 VAL C 1 1
13 2545 1 1 4 VAL CA C 2.507 2.167 1.732 1.00 . A A . 4 VAL CA 1 1
13 2546 1 1 4 VAL CB C 1.961 1.989 3.154 1.00 . A A . 4 VAL CB 1 1
13 2547 1 1 4 VAL CG1 C 0.657 1.183 3.120 1.00 . A A . 4 VAL CG1 1 1
13 2548 1 1 4 VAL CG2 C 2.989 1.252 4.021 1.00 . A A . 4 VAL CG2 1 1
13 2549 1 1 4 VAL H H 0.466 2.674 1.241 1.00 . A A . 4 VAL H 1 1
13 2550 1 1 4 VAL HA H 3.147 3.037 1.696 1.00 . A A . 4 VAL HA 1 1
13 2551 1 1 4 VAL HB H 1.773 2.960 3.579 1.00 . A A . 4 VAL HB 1 1
13 2552 1 1 4 VAL HG11 H 0.671 0.511 2.274 1.00 . A A . 4 VAL HG11 1 1
13 2553 1 1 4 VAL HG12 H 0.563 0.610 4.031 1.00 . A A . 4 VAL HG12 1 1
13 2554 1 1 4 VAL HG13 H -0.181 1.856 3.029 1.00 . A A . 4 VAL HG13 1 1
13 2555 1 1 4 VAL HG21 H 3.914 1.810 4.036 1.00 . A A . 4 VAL HG21 1 1
13 2556 1 1 4 VAL HG22 H 2.610 1.158 5.029 1.00 . A A . 4 VAL HG22 1 1
13 2557 1 1 4 VAL HG23 H 3.169 0.269 3.611 1.00 . A A . 4 VAL HG23 1 1
13 2558 1 1 4 VAL N N 1.312 2.375 0.859 1.00 . A A . 4 VAL N 1 1
13 2559 1 1 4 VAL O O 2.789 0.090 0.562 1.00 . A A . 4 VAL O 1 1
13 2560 1 1 5 GLN C C 5.465 -0.391 -0.196 1.00 . A A . 5 GLN C 1 1
13 2561 1 1 5 GLN CA C 5.345 -0.339 1.325 1.00 . A A . 5 GLN CA 1 1
13 2562 1 1 5 GLN CB C 4.630 -1.579 1.846 1.00 . A A . 5 GLN CB 1 1
13 2563 1 1 5 GLN CD C 4.072 -2.888 3.898 1.00 . A A . 5 GLN CD 1 1
13 2564 1 1 5 GLN CG C 4.939 -1.763 3.333 1.00 . A A . 5 GLN CG 1 1
13 2565 1 1 5 GLN H H 4.876 1.524 2.295 1.00 . A A . 5 GLN H 1 1
13 2566 1 1 5 GLN HA H 6.323 -0.262 1.774 1.00 . A A . 5 GLN HA 1 1
13 2567 1 1 5 GLN HB2 H 3.567 -1.468 1.706 1.00 . A A . 5 GLN HB2 1 1
13 2568 1 1 5 GLN HB3 H 4.979 -2.440 1.299 1.00 . A A . 5 GLN HB3 1 1
13 2569 1 1 5 GLN HE21 H 5.552 -3.681 4.962 1.00 . A A . 5 GLN HE21 1 1
13 2570 1 1 5 GLN HE22 H 4.051 -4.480 5.087 1.00 . A A . 5 GLN HE22 1 1
13 2571 1 1 5 GLN HG2 H 5.983 -2.016 3.456 1.00 . A A . 5 GLN HG2 1 1
13 2572 1 1 5 GLN HG3 H 4.726 -0.847 3.861 1.00 . A A . 5 GLN HG3 1 1
13 2573 1 1 5 GLN N N 4.505 0.824 1.719 1.00 . A A . 5 GLN N 1 1
13 2574 1 1 5 GLN NE2 N 4.603 -3.755 4.717 1.00 . A A . 5 GLN NE2 1 1
13 2575 1 1 5 GLN O O 4.552 -0.783 -0.896 1.00 . A A . 5 GLN O 1 1
13 2576 1 1 5 GLN OE1 O 2.899 -2.977 3.596 1.00 . A A . 5 GLN OE1 1 1
13 2577 1 1 6 ASP C C 7.016 -1.405 -2.696 1.00 . A A . 6 ASP C 1 1
13 2578 1 1 6 ASP CA C 6.806 0.017 -2.176 1.00 . A A . 6 ASP CA 1 1
13 2579 1 1 6 ASP CB C 8.085 0.825 -2.370 1.00 . A A . 6 ASP CB 1 1
13 2580 1 1 6 ASP CG C 7.733 2.279 -2.692 1.00 . A A . 6 ASP CG 1 1
13 2581 1 1 6 ASP H H 7.291 0.327 -0.098 1.00 . A A . 6 ASP H 1 1
13 2582 1 1 6 ASP HA H 5.983 0.494 -2.685 1.00 . A A . 6 ASP HA 1 1
13 2583 1 1 6 ASP HB2 H 8.672 0.784 -1.464 1.00 . A A . 6 ASP HB2 1 1
13 2584 1 1 6 ASP HB3 H 8.653 0.402 -3.185 1.00 . A A . 6 ASP HB3 1 1
13 2585 1 1 6 ASP N N 6.586 0.014 -0.699 1.00 . A A . 6 ASP N 1 1
13 2586 1 1 6 ASP O O 6.836 -1.685 -3.864 1.00 . A A . 6 ASP O 1 1
13 2587 1 1 6 ASP OD1 O 6.564 2.616 -2.617 1.00 . A A . 6 ASP OD1 1 1
13 2588 1 1 6 ASP OD2 O 8.641 3.030 -3.008 1.00 . A A . 6 ASP OD2 1 1
13 2589 1 1 7 TRP C C 6.698 -4.658 -1.611 1.00 . A A . 7 TRP C 1 1
13 2590 1 1 7 TRP CA C 7.670 -3.695 -2.286 1.00 . A A . 7 TRP CA 1 1
13 2591 1 1 7 TRP CB C 9.105 -3.996 -1.845 1.00 . A A . 7 TRP CB 1 1
13 2592 1 1 7 TRP CD1 C 10.150 -2.419 -0.166 1.00 . A A . 7 TRP CD1 1 1
13 2593 1 1 7 TRP CD2 C 8.792 -3.925 0.802 1.00 . A A . 7 TRP CD2 1 1
13 2594 1 1 7 TRP CE2 C 9.303 -3.114 1.842 1.00 . A A . 7 TRP CE2 1 1
13 2595 1 1 7 TRP CE3 C 7.906 -4.957 1.143 1.00 . A A . 7 TRP CE3 1 1
13 2596 1 1 7 TRP CG C 9.345 -3.463 -0.464 1.00 . A A . 7 TRP CG 1 1
13 2597 1 1 7 TRP CH2 C 8.059 -4.358 3.496 1.00 . A A . 7 TRP CH2 1 1
13 2598 1 1 7 TRP CZ2 C 8.945 -3.325 3.176 1.00 . A A . 7 TRP CZ2 1 1
13 2599 1 1 7 TRP CZ3 C 7.541 -5.173 2.481 1.00 . A A . 7 TRP CZ3 1 1
13 2600 1 1 7 TRP H H 7.574 -2.044 -0.908 1.00 . A A . 7 TRP H 1 1
13 2601 1 1 7 TRP HA H 7.592 -3.769 -3.358 1.00 . A A . 7 TRP HA 1 1
13 2602 1 1 7 TRP HB2 H 9.258 -5.063 -1.847 1.00 . A A . 7 TRP HB2 1 1
13 2603 1 1 7 TRP HB3 H 9.792 -3.532 -2.533 1.00 . A A . 7 TRP HB3 1 1
13 2604 1 1 7 TRP HD1 H 10.717 -1.844 -0.879 1.00 . A A . 7 TRP HD1 1 1
13 2605 1 1 7 TRP HE1 H 10.627 -1.515 1.676 1.00 . A A . 7 TRP HE1 1 1
13 2606 1 1 7 TRP HE3 H 7.501 -5.587 0.366 1.00 . A A . 7 TRP HE3 1 1
13 2607 1 1 7 TRP HH2 H 7.773 -4.528 4.524 1.00 . A A . 7 TRP HH2 1 1
13 2608 1 1 7 TRP HZ2 H 9.347 -2.694 3.953 1.00 . A A . 7 TRP HZ2 1 1
13 2609 1 1 7 TRP HZ3 H 6.855 -5.972 2.728 1.00 . A A . 7 TRP HZ3 1 1
13 2610 1 1 7 TRP N N 7.419 -2.296 -1.841 1.00 . A A . 7 TRP N 1 1
13 2611 1 1 7 TRP NE1 N 10.128 -2.211 1.202 1.00 . A A . 7 TRP NE1 1 1
13 2612 1 1 7 TRP O O 6.548 -5.792 -2.017 1.00 . A A . 7 TRP O 1 1
13 2613 1 1 8 GLY C C 3.764 -4.436 0.342 1.00 . A A . 8 GLY C 1 1
13 2614 1 1 8 GLY CA C 5.114 -5.126 0.149 1.00 . A A . 8 GLY CA 1 1
13 2615 1 1 8 GLY H H 6.206 -3.312 -0.245 1.00 . A A . 8 GLY H 1 1
13 2616 1 1 8 GLY HA2 H 4.979 -6.029 -0.426 1.00 . A A . 8 GLY HA2 1 1
13 2617 1 1 8 GLY HA3 H 5.528 -5.374 1.115 1.00 . A A . 8 GLY HA3 1 1
13 2618 1 1 8 GLY N N 6.055 -4.223 -0.567 1.00 . A A . 8 GLY N 1 1
13 2619 1 1 8 GLY O O 3.429 -4.001 1.426 1.00 . A A . 8 GLY O 1 1
13 2620 1 1 9 HIS C C 0.661 -4.688 0.073 1.00 . A A . 9 HIS C 1 1
13 2621 1 1 9 HIS CA C 1.645 -3.697 -0.554 1.00 . A A . 9 HIS CA 1 1
13 2622 1 1 9 HIS CB C 1.212 -3.341 -1.979 1.00 . A A . 9 HIS CB 1 1
13 2623 1 1 9 HIS CD2 C 2.912 -1.515 -2.815 1.00 . A A . 9 HIS CD2 1 1
13 2624 1 1 9 HIS CE1 C 4.100 -2.764 -4.127 1.00 . A A . 9 HIS CE1 1 1
13 2625 1 1 9 HIS CG C 2.379 -2.778 -2.748 1.00 . A A . 9 HIS CG 1 1
13 2626 1 1 9 HIS H H 3.256 -4.710 -1.559 1.00 . A A . 9 HIS H 1 1
13 2627 1 1 9 HIS HA H 1.721 -2.804 0.046 1.00 . A A . 9 HIS HA 1 1
13 2628 1 1 9 HIS HB2 H 0.849 -4.228 -2.478 1.00 . A A . 9 HIS HB2 1 1
13 2629 1 1 9 HIS HB3 H 0.424 -2.605 -1.937 1.00 . A A . 9 HIS HB3 1 1
13 2630 1 1 9 HIS HD1 H 3.030 -4.515 -3.773 1.00 . A A . 9 HIS HD1 1 1
13 2631 1 1 9 HIS HD2 H 2.543 -0.655 -2.276 1.00 . A A . 9 HIS HD2 1 1
13 2632 1 1 9 HIS HE1 H 4.850 -3.102 -4.828 1.00 . A A . 9 HIS HE1 1 1
13 2633 1 1 9 HIS N N 2.976 -4.345 -0.694 1.00 . A A . 9 HIS N 1 1
13 2634 1 1 9 HIS ND1 N 3.152 -3.559 -3.594 1.00 . A A . 9 HIS ND1 1 1
13 2635 1 1 9 HIS NE2 N 3.998 -1.508 -3.685 1.00 . A A . 9 HIS NE2 1 1
13 2636 1 1 9 HIS O O 0.942 -5.863 0.186 1.00 . A A . 9 HIS O 1 1
13 2637 1 1 10 HIS C C -2.640 -5.415 0.146 1.00 . A A . 10 HIS C 1 1
13 2638 1 1 10 HIS CA C -1.475 -5.156 1.106 1.00 . A A . 10 HIS CA 1 1
13 2639 1 1 10 HIS CB C -1.963 -4.435 2.363 1.00 . A A . 10 HIS CB 1 1
13 2640 1 1 10 HIS CD2 C -0.112 -5.762 3.671 1.00 . A A . 10 HIS CD2 1 1
13 2641 1 1 10 HIS CE1 C -0.313 -4.777 5.590 1.00 . A A . 10 HIS CE1 1 1
13 2642 1 1 10 HIS CG C -1.103 -4.824 3.533 1.00 . A A . 10 HIS CG 1 1
13 2643 1 1 10 HIS H H -0.699 -3.277 0.391 1.00 . A A . 10 HIS H 1 1
13 2644 1 1 10 HIS HA H -0.998 -6.085 1.378 1.00 . A A . 10 HIS HA 1 1
13 2645 1 1 10 HIS HB2 H -1.904 -3.368 2.212 1.00 . A A . 10 HIS HB2 1 1
13 2646 1 1 10 HIS HB3 H -2.987 -4.714 2.560 1.00 . A A . 10 HIS HB3 1 1
13 2647 1 1 10 HIS HD1 H -1.839 -3.488 5.002 1.00 . A A . 10 HIS HD1 1 1
13 2648 1 1 10 HIS HD2 H 0.229 -6.424 2.890 1.00 . A A . 10 HIS HD2 1 1
13 2649 1 1 10 HIS HE1 H -0.170 -4.495 6.622 1.00 . A A . 10 HIS HE1 1 1
13 2650 1 1 10 HIS N N -0.487 -4.228 0.486 1.00 . A A . 10 HIS N 1 1
13 2651 1 1 10 HIS ND1 N -1.215 -4.207 4.769 1.00 . A A . 10 HIS ND1 1 1
13 2652 1 1 10 HIS NE2 N 0.386 -5.731 4.971 1.00 . A A . 10 HIS NE2 1 1
13 2653 1 1 10 HIS O O -2.605 -6.326 -0.658 1.00 . A A . 10 HIS O 1 1
13 2654 1 1 11 ARG C C -5.900 -3.747 -0.415 1.00 . A A . 11 ARG C 1 1
13 2655 1 1 11 ARG CA C -4.844 -4.824 -0.677 1.00 . A A . 11 ARG CA 1 1
13 2656 1 1 11 ARG CB C -5.392 -6.203 -0.314 1.00 . A A . 11 ARG CB 1 1
13 2657 1 1 11 ARG CD C -5.024 -6.989 2.030 1.00 . A A . 11 ARG CD 1 1
13 2658 1 1 11 ARG CG C -5.938 -6.171 1.116 1.00 . A A . 11 ARG CG 1 1
13 2659 1 1 11 ARG CZ C -5.631 -8.872 3.429 1.00 . A A . 11 ARG CZ 1 1
13 2660 1 1 11 ARG H H -3.684 -3.896 0.883 1.00 . A A . 11 ARG H 1 1
13 2661 1 1 11 ARG HA H -4.534 -4.809 -1.710 1.00 . A A . 11 ARG HA 1 1
13 2662 1 1 11 ARG HB2 H -6.186 -6.466 -0.999 1.00 . A A . 11 ARG HB2 1 1
13 2663 1 1 11 ARG HB3 H -4.601 -6.935 -0.379 1.00 . A A . 11 ARG HB3 1 1
13 2664 1 1 11 ARG HD2 H -4.087 -7.199 1.532 1.00 . A A . 11 ARG HD2 1 1
13 2665 1 1 11 ARG HD3 H -4.850 -6.466 2.957 1.00 . A A . 11 ARG HD3 1 1
13 2666 1 1 11 ARG HE H -6.371 -8.615 1.604 1.00 . A A . 11 ARG HE 1 1
13 2667 1 1 11 ARG HG2 H -5.972 -5.148 1.462 1.00 . A A . 11 ARG HG2 1 1
13 2668 1 1 11 ARG HG3 H -6.931 -6.591 1.133 1.00 . A A . 11 ARG HG3 1 1
13 2669 1 1 11 ARG HH11 H -3.767 -8.208 3.738 1.00 . A A . 11 ARG HH11 1 1
13 2670 1 1 11 ARG HH12 H -4.406 -9.245 4.970 1.00 . A A . 11 ARG HH12 1 1
13 2671 1 1 11 ARG HH21 H -7.463 -9.683 3.385 1.00 . A A . 11 ARG HH21 1 1
13 2672 1 1 11 ARG HH22 H -6.499 -10.076 4.778 1.00 . A A . 11 ARG HH22 1 1
13 2673 1 1 11 ARG N N -3.674 -4.623 0.226 1.00 . A A . 11 ARG N 1 1
13 2674 1 1 11 ARG NE N -5.772 -8.252 2.289 1.00 . A A . 11 ARG NE 1 1
13 2675 1 1 11 ARG NH1 N -4.515 -8.766 4.097 1.00 . A A . 11 ARG NH1 1 1
13 2676 1 1 11 ARG NH2 N -6.607 -9.600 3.900 1.00 . A A . 11 ARG NH2 1 1
13 2677 1 1 11 ARG O O -7.017 -4.040 -0.037 1.00 . A A . 11 ARG O 1 1
13 2678 1 1 12 CYS C C -7.607 -1.393 -1.459 1.00 . A A . 12 CYS C 1 1
13 2679 1 1 12 CYS CA C -6.538 -1.409 -0.362 1.00 . A A . 12 CYS CA 1 1
13 2680 1 1 12 CYS CB C -5.714 -0.123 -0.408 1.00 . A A . 12 CYS CB 1 1
13 2681 1 1 12 CYS H H -4.648 -2.289 -0.909 1.00 . A A . 12 CYS H 1 1
13 2682 1 1 12 CYS HA H -6.994 -1.520 0.609 1.00 . A A . 12 CYS HA 1 1
13 2683 1 1 12 CYS HB2 H -4.975 -0.195 -1.194 1.00 . A A . 12 CYS HB2 1 1
13 2684 1 1 12 CYS HB3 H -6.369 0.716 -0.602 1.00 . A A . 12 CYS HB3 1 1
13 2685 1 1 12 CYS N N -5.554 -2.504 -0.607 1.00 . A A . 12 CYS N 1 1
13 2686 1 1 12 CYS O O -8.639 -2.024 -1.344 1.00 . A A . 12 CYS O 1 1
13 2687 1 1 12 CYS SG S -4.881 0.121 1.178 1.00 . A A . 12 CYS SG 1 1
13 2688 1 1 13 THR C C -8.128 -1.735 -4.627 1.00 . A A . 13 THR C 1 1
13 2689 1 1 13 THR CA C -8.368 -0.603 -3.623 1.00 . A A . 13 THR CA 1 1
13 2690 1 1 13 THR CB C -8.138 0.759 -4.285 1.00 . A A . 13 THR CB 1 1
13 2691 1 1 13 THR CG2 C -9.484 1.432 -4.561 1.00 . A A . 13 THR CG2 1 1
13 2692 1 1 13 THR H H -6.531 -0.166 -2.590 1.00 . A A . 13 THR H 1 1
13 2693 1 1 13 THR HA H -9.370 -0.656 -3.228 1.00 . A A . 13 THR HA 1 1
13 2694 1 1 13 THR HB H -7.610 0.623 -5.216 1.00 . A A . 13 THR HB 1 1
13 2695 1 1 13 THR HG1 H -6.723 2.056 -3.954 1.00 . A A . 13 THR HG1 1 1
13 2696 1 1 13 THR HG21 H -10.183 0.698 -4.934 1.00 . A A . 13 THR HG21 1 1
13 2697 1 1 13 THR HG22 H -9.865 1.863 -3.647 1.00 . A A . 13 THR HG22 1 1
13 2698 1 1 13 THR HG23 H -9.352 2.211 -5.297 1.00 . A A . 13 THR HG23 1 1
13 2699 1 1 13 THR N N -7.368 -0.670 -2.520 1.00 . A A . 13 THR N 1 1
13 2700 1 1 13 THR O O -7.084 -2.353 -4.631 1.00 . A A . 13 THR O 1 1
13 2701 1 1 13 THR OG1 O -7.364 1.581 -3.419 1.00 . A A . 13 THR OG1 1 1
13 2702 1 1 14 NH2 HN1 H -9.910 -1.530 -5.484 1.00 . A A . 14 NH2 HN1 1 1
13 2703 1 1 14 NH2 HN2 H -8.917 -2.753 -6.139 1.00 . A A . 14 NH2 HN2 1 1
13 2704 1 1 14 NH2 N N -9.062 -2.031 -5.487 1.00 . A A . 14 NH2 N 1 1
14 2705 1 1 1 ILE C C -3.856 5.391 -0.507 1.00 . A A . 1 ILE C 1 1
14 2706 1 1 1 ILE CA C -5.073 5.802 -1.348 1.00 . A A . 1 ILE CA 1 1
14 2707 1 1 1 ILE CB C -6.151 6.525 -0.512 1.00 . A A . 1 ILE CB 1 1
14 2708 1 1 1 ILE CD1 C -4.936 8.710 -0.339 1.00 . A A . 1 ILE CD1 1 1
14 2709 1 1 1 ILE CG1 C -6.176 8.008 -0.895 1.00 . A A . 1 ILE CG1 1 1
14 2710 1 1 1 ILE CG2 C -5.873 6.393 0.992 1.00 . A A . 1 ILE CG2 1 1
14 2711 1 1 1 ILE H1 H -5.054 3.967 -2.334 1.00 . A A . 1 ILE H1 1 1
14 2712 1 1 1 ILE H2 H -6.217 4.079 -1.100 1.00 . A A . 1 ILE H2 1 1
14 2713 1 1 1 ILE H3 H -6.472 4.870 -2.578 1.00 . A A . 1 ILE H3 1 1
14 2714 1 1 1 ILE HA H -4.760 6.436 -2.163 1.00 . A A . 1 ILE HA 1 1
14 2715 1 1 1 ILE HB H -7.113 6.087 -0.730 1.00 . A A . 1 ILE HB 1 1
14 2716 1 1 1 ILE HD11 H -4.195 7.975 -0.074 1.00 . A A . 1 ILE HD11 1 1
14 2717 1 1 1 ILE HD12 H -4.531 9.374 -1.089 1.00 . A A . 1 ILE HD12 1 1
14 2718 1 1 1 ILE HD13 H -5.207 9.281 0.538 1.00 . A A . 1 ILE HD13 1 1
14 2719 1 1 1 ILE HG12 H -6.191 8.102 -1.971 1.00 . A A . 1 ILE HG12 1 1
14 2720 1 1 1 ILE HG13 H -7.061 8.470 -0.484 1.00 . A A . 1 ILE HG13 1 1
14 2721 1 1 1 ILE HG21 H -5.792 5.348 1.253 1.00 . A A . 1 ILE HG21 1 1
14 2722 1 1 1 ILE HG22 H -4.950 6.897 1.236 1.00 . A A . 1 ILE HG22 1 1
14 2723 1 1 1 ILE HG23 H -6.685 6.839 1.548 1.00 . A A . 1 ILE HG23 1 1
14 2724 1 1 1 ILE N N -5.756 4.588 -1.879 1.00 . A A . 1 ILE N 1 1
14 2725 1 1 1 ILE O O -3.102 6.222 -0.043 1.00 . A A . 1 ILE O 1 1
14 2726 1 1 2 CYS C C -1.270 3.443 -0.409 1.00 . A A . 2 CYS C 1 1
14 2727 1 1 2 CYS CA C -2.483 3.676 0.500 1.00 . A A . 2 CYS CA 1 1
14 2728 1 1 2 CYS CB C -2.929 2.378 1.196 1.00 . A A . 2 CYS CB 1 1
14 2729 1 1 2 CYS H H -4.268 3.455 -0.690 1.00 . A A . 2 CYS H 1 1
14 2730 1 1 2 CYS HA H -2.248 4.423 1.242 1.00 . A A . 2 CYS HA 1 1
14 2731 1 1 2 CYS HB2 H -2.350 2.242 2.097 1.00 . A A . 2 CYS HB2 1 1
14 2732 1 1 2 CYS HB3 H -3.974 2.454 1.454 1.00 . A A . 2 CYS HB3 1 1
14 2733 1 1 2 CYS N N -3.654 4.117 -0.309 1.00 . A A . 2 CYS N 1 1
14 2734 1 1 2 CYS O O -1.362 2.796 -1.434 1.00 . A A . 2 CYS O 1 1
14 2735 1 1 2 CYS SG S -2.681 0.945 0.106 1.00 . A A . 2 CYS SG 1 1
14 2736 1 1 3 VAL C C 2.226 3.252 -0.007 1.00 . A A . 3 VAL C 1 1
14 2737 1 1 3 VAL CA C 1.084 3.781 -0.869 1.00 . A A . 3 VAL CA 1 1
14 2738 1 1 3 VAL CB C 1.408 5.176 -1.382 1.00 . A A . 3 VAL CB 1 1
14 2739 1 1 3 VAL CG1 C 2.783 5.178 -2.052 1.00 . A A . 3 VAL CG1 1 1
14 2740 1 1 3 VAL CG2 C 0.344 5.609 -2.392 1.00 . A A . 3 VAL CG2 1 1
14 2741 1 1 3 VAL H H -0.088 4.485 0.794 1.00 . A A . 3 VAL H 1 1
14 2742 1 1 3 VAL HA H 0.888 3.114 -1.682 1.00 . A A . 3 VAL HA 1 1
14 2743 1 1 3 VAL HB H 1.413 5.860 -0.547 1.00 . A A . 3 VAL HB 1 1
14 2744 1 1 3 VAL HG11 H 2.949 4.226 -2.533 1.00 . A A . 3 VAL HG11 1 1
14 2745 1 1 3 VAL HG12 H 2.822 5.966 -2.788 1.00 . A A . 3 VAL HG12 1 1
14 2746 1 1 3 VAL HG13 H 3.545 5.342 -1.304 1.00 . A A . 3 VAL HG13 1 1
14 2747 1 1 3 VAL HG21 H -0.385 4.823 -2.506 1.00 . A A . 3 VAL HG21 1 1
14 2748 1 1 3 VAL HG22 H -0.145 6.504 -2.038 1.00 . A A . 3 VAL HG22 1 1
14 2749 1 1 3 VAL HG23 H 0.812 5.808 -3.345 1.00 . A A . 3 VAL HG23 1 1
14 2750 1 1 3 VAL N N -0.138 3.967 -0.036 1.00 . A A . 3 VAL N 1 1
14 2751 1 1 3 VAL O O 3.377 3.252 -0.395 1.00 . A A . 3 VAL O 1 1
14 2752 1 1 4 VAL C C 3.677 1.096 1.483 1.00 . A A . 4 VAL C 1 1
14 2753 1 1 4 VAL CA C 2.942 2.286 2.097 1.00 . A A . 4 VAL CA 1 1
14 2754 1 1 4 VAL CB C 2.187 1.853 3.362 1.00 . A A . 4 VAL CB 1 1
14 2755 1 1 4 VAL CG1 C 0.884 1.148 2.974 1.00 . A A . 4 VAL CG1 1 1
14 2756 1 1 4 VAL CG2 C 3.051 0.889 4.185 1.00 . A A . 4 VAL CG2 1 1
14 2757 1 1 4 VAL H H 0.965 2.845 1.432 1.00 . A A . 4 VAL H 1 1
14 2758 1 1 4 VAL HA H 3.644 3.067 2.345 1.00 . A A . 4 VAL HA 1 1
14 2759 1 1 4 VAL HB H 1.961 2.724 3.955 1.00 . A A . 4 VAL HB 1 1
14 2760 1 1 4 VAL HG11 H 1.025 0.622 2.042 1.00 . A A . 4 VAL HG11 1 1
14 2761 1 1 4 VAL HG12 H 0.610 0.446 3.748 1.00 . A A . 4 VAL HG12 1 1
14 2762 1 1 4 VAL HG13 H 0.101 1.882 2.859 1.00 . A A . 4 VAL HG13 1 1
14 2763 1 1 4 VAL HG21 H 3.284 0.018 3.592 1.00 . A A . 4 VAL HG21 1 1
14 2764 1 1 4 VAL HG22 H 3.965 1.382 4.479 1.00 . A A . 4 VAL HG22 1 1
14 2765 1 1 4 VAL HG23 H 2.508 0.585 5.068 1.00 . A A . 4 VAL HG23 1 1
14 2766 1 1 4 VAL N N 1.900 2.815 1.164 1.00 . A A . 4 VAL N 1 1
14 2767 1 1 4 VAL O O 3.288 0.558 0.465 1.00 . A A . 4 VAL O 1 1
14 2768 1 1 5 GLN C C 5.613 -0.459 0.093 1.00 . A A . 5 GLN C 1 1
14 2769 1 1 5 GLN CA C 5.539 -0.465 1.615 1.00 . A A . 5 GLN CA 1 1
14 2770 1 1 5 GLN CB C 4.813 -1.711 2.093 1.00 . A A . 5 GLN CB 1 1
14 2771 1 1 5 GLN CD C 4.026 -2.417 4.365 1.00 . A A . 5 GLN CD 1 1
14 2772 1 1 5 GLN CG C 5.249 -2.049 3.522 1.00 . A A . 5 GLN CG 1 1
14 2773 1 1 5 GLN H H 5.020 1.151 2.933 1.00 . A A . 5 GLN H 1 1
14 2774 1 1 5 GLN HA H 6.530 -0.440 2.036 1.00 . A A . 5 GLN HA 1 1
14 2775 1 1 5 GLN HB2 H 3.748 -1.543 2.062 1.00 . A A . 5 GLN HB2 1 1
14 2776 1 1 5 GLN HB3 H 5.071 -2.524 1.439 1.00 . A A . 5 GLN HB3 1 1
14 2777 1 1 5 GLN HE21 H 4.542 -1.235 5.877 1.00 . A A . 5 GLN HE21 1 1
14 2778 1 1 5 GLN HE22 H 3.090 -2.104 6.093 1.00 . A A . 5 GLN HE22 1 1
14 2779 1 1 5 GLN HG2 H 5.934 -2.885 3.500 1.00 . A A . 5 GLN HG2 1 1
14 2780 1 1 5 GLN HG3 H 5.740 -1.193 3.960 1.00 . A A . 5 GLN HG3 1 1
14 2781 1 1 5 GLN N N 4.742 0.689 2.115 1.00 . A A . 5 GLN N 1 1
14 2782 1 1 5 GLN NE2 N 3.873 -1.873 5.543 1.00 . A A . 5 GLN NE2 1 1
14 2783 1 1 5 GLN O O 4.788 -1.029 -0.592 1.00 . A A . 5 GLN O 1 1
14 2784 1 1 5 GLN OE1 O 3.203 -3.211 3.952 1.00 . A A . 5 GLN OE1 1 1
14 2785 1 1 6 ASP C C 6.577 -1.139 -2.526 1.00 . A A . 6 ASP C 1 1
14 2786 1 1 6 ASP CA C 6.785 0.245 -1.911 1.00 . A A . 6 ASP CA 1 1
14 2787 1 1 6 ASP CB C 8.235 0.701 -2.192 1.00 . A A . 6 ASP CB 1 1
14 2788 1 1 6 ASP CG C 9.112 0.647 -0.936 1.00 . A A . 6 ASP CG 1 1
14 2789 1 1 6 ASP H H 7.235 0.616 0.178 1.00 . A A . 6 ASP H 1 1
14 2790 1 1 6 ASP HA H 6.091 0.949 -2.339 1.00 . A A . 6 ASP HA 1 1
14 2791 1 1 6 ASP HB2 H 8.664 0.047 -2.938 1.00 . A A . 6 ASP HB2 1 1
14 2792 1 1 6 ASP HB3 H 8.221 1.712 -2.573 1.00 . A A . 6 ASP HB3 1 1
14 2793 1 1 6 ASP N N 6.607 0.180 -0.422 1.00 . A A . 6 ASP N 1 1
14 2794 1 1 6 ASP O O 6.004 -1.283 -3.589 1.00 . A A . 6 ASP O 1 1
14 2795 1 1 6 ASP OD1 O 9.406 -0.450 -0.491 1.00 . A A . 6 ASP OD1 1 1
14 2796 1 1 6 ASP OD2 O 9.472 1.702 -0.441 1.00 . A A . 6 ASP OD2 1 1
14 2797 1 1 7 TRP C C 6.020 -4.374 -1.511 1.00 . A A . 7 TRP C 1 1
14 2798 1 1 7 TRP CA C 6.925 -3.537 -2.409 1.00 . A A . 7 TRP CA 1 1
14 2799 1 1 7 TRP CB C 8.347 -4.107 -2.398 1.00 . A A . 7 TRP CB 1 1
14 2800 1 1 7 TRP CD1 C 10.118 -2.829 -1.125 1.00 . A A . 7 TRP CD1 1 1
14 2801 1 1 7 TRP CD2 C 8.821 -4.059 0.229 1.00 . A A . 7 TRP CD2 1 1
14 2802 1 1 7 TRP CE2 C 9.759 -3.402 1.057 1.00 . A A . 7 TRP CE2 1 1
14 2803 1 1 7 TRP CE3 C 7.880 -4.900 0.835 1.00 . A A . 7 TRP CE3 1 1
14 2804 1 1 7 TRP CG C 9.072 -3.681 -1.154 1.00 . A A . 7 TRP CG 1 1
14 2805 1 1 7 TRP CH2 C 8.817 -4.420 3.030 1.00 . A A . 7 TRP CH2 1 1
14 2806 1 1 7 TRP CZ2 C 9.762 -3.577 2.443 1.00 . A A . 7 TRP CZ2 1 1
14 2807 1 1 7 TRP CZ3 C 7.876 -5.080 2.228 1.00 . A A . 7 TRP CZ3 1 1
14 2808 1 1 7 TRP H H 7.529 -2.000 -1.028 1.00 . A A . 7 TRP H 1 1
14 2809 1 1 7 TRP HA H 6.544 -3.517 -3.417 1.00 . A A . 7 TRP HA 1 1
14 2810 1 1 7 TRP HB2 H 8.297 -5.183 -2.429 1.00 . A A . 7 TRP HB2 1 1
14 2811 1 1 7 TRP HB3 H 8.879 -3.745 -3.263 1.00 . A A . 7 TRP HB3 1 1
14 2812 1 1 7 TRP HD1 H 10.557 -2.356 -1.984 1.00 . A A . 7 TRP HD1 1 1
14 2813 1 1 7 TRP HE1 H 11.272 -2.097 0.477 1.00 . A A . 7 TRP HE1 1 1
14 2814 1 1 7 TRP HE3 H 7.155 -5.408 0.226 1.00 . A A . 7 TRP HE3 1 1
14 2815 1 1 7 TRP HH2 H 8.810 -4.562 4.101 1.00 . A A . 7 TRP HH2 1 1
14 2816 1 1 7 TRP HZ2 H 10.491 -3.066 3.056 1.00 . A A . 7 TRP HZ2 1 1
14 2817 1 1 7 TRP HZ3 H 7.146 -5.732 2.683 1.00 . A A . 7 TRP HZ3 1 1
14 2818 1 1 7 TRP N N 7.062 -2.152 -1.872 1.00 . A A . 7 TRP N 1 1
14 2819 1 1 7 TRP NE1 N 10.529 -2.664 0.184 1.00 . A A . 7 TRP NE1 1 1
14 2820 1 1 7 TRP O O 5.606 -5.460 -1.864 1.00 . A A . 7 TRP O 1 1
14 2821 1 1 8 GLY C C 3.407 -4.218 0.405 1.00 . A A . 8 GLY C 1 1
14 2822 1 1 8 GLY CA C 4.861 -4.654 0.583 1.00 . A A . 8 GLY CA 1 1
14 2823 1 1 8 GLY H H 6.079 -3.015 -0.084 1.00 . A A . 8 GLY H 1 1
14 2824 1 1 8 GLY HA2 H 4.954 -5.708 0.365 1.00 . A A . 8 GLY HA2 1 1
14 2825 1 1 8 GLY HA3 H 5.171 -4.465 1.597 1.00 . A A . 8 GLY HA3 1 1
14 2826 1 1 8 GLY N N 5.724 -3.884 -0.349 1.00 . A A . 8 GLY N 1 1
14 2827 1 1 8 GLY O O 2.796 -3.675 1.303 1.00 . A A . 8 GLY O 1 1
14 2828 1 1 9 HIS C C 0.491 -5.072 -0.341 1.00 . A A . 9 HIS C 1 1
14 2829 1 1 9 HIS CA C 1.434 -4.054 -0.989 1.00 . A A . 9 HIS CA 1 1
14 2830 1 1 9 HIS CB C 1.274 -4.058 -2.509 1.00 . A A . 9 HIS CB 1 1
14 2831 1 1 9 HIS CD2 C 2.225 -1.609 -2.459 1.00 . A A . 9 HIS CD2 1 1
14 2832 1 1 9 HIS CE1 C 1.893 -1.096 -4.537 1.00 . A A . 9 HIS CE1 1 1
14 2833 1 1 9 HIS CG C 1.654 -2.707 -3.052 1.00 . A A . 9 HIS CG 1 1
14 2834 1 1 9 HIS H H 3.366 -4.890 -1.460 1.00 . A A . 9 HIS H 1 1
14 2835 1 1 9 HIS HA H 1.249 -3.065 -0.600 1.00 . A A . 9 HIS HA 1 1
14 2836 1 1 9 HIS HB2 H 1.917 -4.814 -2.938 1.00 . A A . 9 HIS HB2 1 1
14 2837 1 1 9 HIS HB3 H 0.245 -4.272 -2.762 1.00 . A A . 9 HIS HB3 1 1
14 2838 1 1 9 HIS HD1 H 1.056 -2.925 -5.073 1.00 . A A . 9 HIS HD1 1 1
14 2839 1 1 9 HIS HD2 H 2.516 -1.543 -1.421 1.00 . A A . 9 HIS HD2 1 1
14 2840 1 1 9 HIS HE1 H 1.864 -0.557 -5.473 1.00 . A A . 9 HIS HE1 1 1
14 2841 1 1 9 HIS N N 2.851 -4.453 -0.749 1.00 . A A . 9 HIS N 1 1
14 2842 1 1 9 HIS ND1 N 1.450 -2.358 -4.379 1.00 . A A . 9 HIS ND1 1 1
14 2843 1 1 9 HIS NE2 N 2.375 -0.593 -3.397 1.00 . A A . 9 HIS NE2 1 1
14 2844 1 1 9 HIS O O 0.897 -6.158 0.025 1.00 . A A . 9 HIS O 1 1
14 2845 1 1 10 HIS C C -2.989 -5.834 -0.352 1.00 . A A . 10 HIS C 1 1
14 2846 1 1 10 HIS CA C -1.705 -5.680 0.471 1.00 . A A . 10 HIS CA 1 1
14 2847 1 1 10 HIS CB C -2.015 -5.058 1.832 1.00 . A A . 10 HIS CB 1 1
14 2848 1 1 10 HIS CD2 C -1.758 -6.195 4.187 1.00 . A A . 10 HIS CD2 1 1
14 2849 1 1 10 HIS CE1 C 0.206 -7.066 3.912 1.00 . A A . 10 HIS CE1 1 1
14 2850 1 1 10 HIS CG C -1.351 -5.860 2.920 1.00 . A A . 10 HIS CG 1 1
14 2851 1 1 10 HIS H H -1.067 -3.844 -0.462 1.00 . A A . 10 HIS H 1 1
14 2852 1 1 10 HIS HA H -1.235 -6.638 0.610 1.00 . A A . 10 HIS HA 1 1
14 2853 1 1 10 HIS HB2 H -1.647 -4.043 1.856 1.00 . A A . 10 HIS HB2 1 1
14 2854 1 1 10 HIS HB3 H -3.082 -5.056 1.989 1.00 . A A . 10 HIS HB3 1 1
14 2855 1 1 10 HIS HD1 H 0.472 -6.374 1.966 1.00 . A A . 10 HIS HD1 1 1
14 2856 1 1 10 HIS HD2 H -2.701 -5.914 4.631 1.00 . A A . 10 HIS HD2 1 1
14 2857 1 1 10 HIS HE1 H 1.127 -7.603 4.084 1.00 . A A . 10 HIS HE1 1 1
14 2858 1 1 10 HIS N N -0.758 -4.727 -0.175 1.00 . A A . 10 HIS N 1 1
14 2859 1 1 10 HIS ND1 N -0.094 -6.426 2.766 1.00 . A A . 10 HIS ND1 1 1
14 2860 1 1 10 HIS NE2 N -0.776 -6.956 4.811 1.00 . A A . 10 HIS NE2 1 1
14 2861 1 1 10 HIS O O -3.140 -6.773 -1.108 1.00 . A A . 10 HIS O 1 1
14 2862 1 1 11 ARG C C -6.070 -3.793 -0.810 1.00 . A A . 11 ARG C 1 1
14 2863 1 1 11 ARG CA C -5.199 -5.053 -0.967 1.00 . A A . 11 ARG CA 1 1
14 2864 1 1 11 ARG CB C -5.879 -6.312 -0.394 1.00 . A A . 11 ARG CB 1 1
14 2865 1 1 11 ARG CD C -5.686 -5.654 2.036 1.00 . A A . 11 ARG CD 1 1
14 2866 1 1 11 ARG CG C -6.648 -6.012 0.903 1.00 . A A . 11 ARG CG 1 1
14 2867 1 1 11 ARG CZ C -7.078 -5.525 4.014 1.00 . A A . 11 ARG CZ 1 1
14 2868 1 1 11 ARG H H -3.791 -4.189 0.423 1.00 . A A . 11 ARG H 1 1
14 2869 1 1 11 ARG HA H -4.985 -5.213 -2.007 1.00 . A A . 11 ARG HA 1 1
14 2870 1 1 11 ARG HB2 H -6.568 -6.704 -1.128 1.00 . A A . 11 ARG HB2 1 1
14 2871 1 1 11 ARG HB3 H -5.122 -7.057 -0.191 1.00 . A A . 11 ARG HB3 1 1
14 2872 1 1 11 ARG HD2 H -5.283 -6.550 2.488 1.00 . A A . 11 ARG HD2 1 1
14 2873 1 1 11 ARG HD3 H -4.892 -5.025 1.676 1.00 . A A . 11 ARG HD3 1 1
14 2874 1 1 11 ARG HE H -6.653 -3.938 2.903 1.00 . A A . 11 ARG HE 1 1
14 2875 1 1 11 ARG HG2 H -7.326 -5.199 0.742 1.00 . A A . 11 ARG HG2 1 1
14 2876 1 1 11 ARG HG3 H -7.211 -6.888 1.184 1.00 . A A . 11 ARG HG3 1 1
14 2877 1 1 11 ARG HH11 H -5.349 -5.894 4.952 1.00 . A A . 11 ARG HH11 1 1
14 2878 1 1 11 ARG HH12 H -6.771 -6.483 5.744 1.00 . A A . 11 ARG HH12 1 1
14 2879 1 1 11 ARG HH21 H -8.939 -5.297 3.309 1.00 . A A . 11 ARG HH21 1 1
14 2880 1 1 11 ARG HH22 H -8.805 -6.141 4.823 1.00 . A A . 11 ARG HH22 1 1
14 2881 1 1 11 ARG N N -3.923 -4.932 -0.201 1.00 . A A . 11 ARG N 1 1
14 2882 1 1 11 ARG NE N -6.520 -4.902 3.014 1.00 . A A . 11 ARG NE 1 1
14 2883 1 1 11 ARG NH1 N -6.342 -6.004 4.979 1.00 . A A . 11 ARG NH1 1 1
14 2884 1 1 11 ARG NH2 N -8.375 -5.665 4.052 1.00 . A A . 11 ARG NH2 1 1
14 2885 1 1 11 ARG O O -7.266 -3.866 -0.617 1.00 . A A . 11 ARG O 1 1
14 2886 1 1 12 CYS C C -7.269 -1.238 -1.972 1.00 . A A . 12 CYS C 1 1
14 2887 1 1 12 CYS CA C -6.298 -1.379 -0.794 1.00 . A A . 12 CYS CA 1 1
14 2888 1 1 12 CYS CB C -5.285 -0.236 -0.837 1.00 . A A . 12 CYS CB 1 1
14 2889 1 1 12 CYS H H -4.527 -2.574 -1.104 1.00 . A A . 12 CYS H 1 1
14 2890 1 1 12 CYS HA H -6.831 -1.366 0.143 1.00 . A A . 12 CYS HA 1 1
14 2891 1 1 12 CYS HB2 H -4.705 -0.307 -1.747 1.00 . A A . 12 CYS HB2 1 1
14 2892 1 1 12 CYS HB3 H -5.812 0.706 -0.821 1.00 . A A . 12 CYS HB3 1 1
14 2893 1 1 12 CYS N N -5.488 -2.628 -0.924 1.00 . A A . 12 CYS N 1 1
14 2894 1 1 12 CYS O O -7.266 -0.242 -2.666 1.00 . A A . 12 CYS O 1 1
14 2895 1 1 12 CYS SG S -4.176 -0.326 0.587 1.00 . A A . 12 CYS SG 1 1
14 2896 1 1 13 THR C C -10.131 -3.223 -3.215 1.00 . A A . 13 THR C 1 1
14 2897 1 1 13 THR CA C -9.074 -2.123 -3.331 1.00 . A A . 13 THR CA 1 1
14 2898 1 1 13 THR CB C -8.236 -2.317 -4.597 1.00 . A A . 13 THR CB 1 1
14 2899 1 1 13 THR CG2 C -9.162 -2.442 -5.810 1.00 . A A . 13 THR CG2 1 1
14 2900 1 1 13 THR H H -8.099 -3.010 -1.625 1.00 . A A . 13 THR H 1 1
14 2901 1 1 13 THR HA H -9.542 -1.152 -3.345 1.00 . A A . 13 THR HA 1 1
14 2902 1 1 13 THR HB H -7.647 -3.216 -4.505 1.00 . A A . 13 THR HB 1 1
14 2903 1 1 13 THR HG1 H -7.893 -0.482 -5.145 1.00 . A A . 13 THR HG1 1 1
14 2904 1 1 13 THR HG21 H -10.184 -2.278 -5.499 1.00 . A A . 13 THR HG21 1 1
14 2905 1 1 13 THR HG22 H -8.888 -1.704 -6.550 1.00 . A A . 13 THR HG22 1 1
14 2906 1 1 13 THR HG23 H -9.068 -3.431 -6.233 1.00 . A A . 13 THR HG23 1 1
14 2907 1 1 13 THR N N -8.104 -2.217 -2.199 1.00 . A A . 13 THR N 1 1
14 2908 1 1 13 THR O O -11.167 -3.033 -2.608 1.00 . A A . 13 THR O 1 1
14 2909 1 1 13 THR OG1 O -7.375 -1.201 -4.773 1.00 . A A . 13 THR OG1 1 1
14 2910 1 1 14 NH2 HN1 H -9.072 -4.530 -4.271 1.00 . A A . 14 NH2 HN1 1 1
14 2911 1 1 14 NH2 HN2 H -10.582 -5.094 -3.712 1.00 . A A . 14 NH2 HN2 1 1
14 2912 1 1 14 NH2 N N -9.911 -4.377 -3.780 1.00 . A A . 14 NH2 N 1 1
15 2913 1 1 1 ILE C C -4.157 5.557 0.286 1.00 . A A . 1 ILE C 1 1
15 2914 1 1 1 ILE CA C -5.143 6.484 -0.433 1.00 . A A . 1 ILE CA 1 1
15 2915 1 1 1 ILE CB C -6.600 6.065 -0.186 1.00 . A A . 1 ILE CB 1 1
15 2916 1 1 1 ILE CD1 C -6.452 6.271 2.307 1.00 . A A . 1 ILE CD1 1 1
15 2917 1 1 1 ILE CG1 C -7.138 6.801 1.047 1.00 . A A . 1 ILE CG1 1 1
15 2918 1 1 1 ILE CG2 C -6.697 4.549 0.031 1.00 . A A . 1 ILE CG2 1 1
15 2919 1 1 1 ILE H1 H -3.978 6.109 -2.118 1.00 . A A . 1 ILE H1 1 1
15 2920 1 1 1 ILE H2 H -5.604 5.659 -2.290 1.00 . A A . 1 ILE H2 1 1
15 2921 1 1 1 ILE H3 H -5.167 7.300 -2.349 1.00 . A A . 1 ILE H3 1 1
15 2922 1 1 1 ILE HA H -4.995 7.503 -0.113 1.00 . A A . 1 ILE HA 1 1
15 2923 1 1 1 ILE HB H -7.193 6.336 -1.049 1.00 . A A . 1 ILE HB 1 1
15 2924 1 1 1 ILE HD11 H -5.725 5.520 2.033 1.00 . A A . 1 ILE HD11 1 1
15 2925 1 1 1 ILE HD12 H -5.955 7.085 2.814 1.00 . A A . 1 ILE HD12 1 1
15 2926 1 1 1 ILE HD13 H -7.191 5.836 2.962 1.00 . A A . 1 ILE HD13 1 1
15 2927 1 1 1 ILE HG12 H -6.941 7.858 0.947 1.00 . A A . 1 ILE HG12 1 1
15 2928 1 1 1 ILE HG13 H -8.202 6.639 1.125 1.00 . A A . 1 ILE HG13 1 1
15 2929 1 1 1 ILE HG21 H -6.011 4.046 -0.633 1.00 . A A . 1 ILE HG21 1 1
15 2930 1 1 1 ILE HG22 H -6.444 4.312 1.055 1.00 . A A . 1 ILE HG22 1 1
15 2931 1 1 1 ILE HG23 H -7.704 4.219 -0.175 1.00 . A A . 1 ILE HG23 1 1
15 2932 1 1 1 ILE N N -4.959 6.380 -1.909 1.00 . A A . 1 ILE N 1 1
15 2933 1 1 1 ILE O O -3.735 5.821 1.394 1.00 . A A . 1 ILE O 1 1
15 2934 1 1 2 CYS C C -1.580 3.365 -0.582 1.00 . A A . 2 CYS C 1 1
15 2935 1 1 2 CYS CA C -2.821 3.536 0.302 1.00 . A A . 2 CYS CA 1 1
15 2936 1 1 2 CYS CB C -3.579 2.212 0.446 1.00 . A A . 2 CYS CB 1 1
15 2937 1 1 2 CYS H H -4.132 4.282 -1.237 1.00 . A A . 2 CYS H 1 1
15 2938 1 1 2 CYS HA H -2.536 3.902 1.276 1.00 . A A . 2 CYS HA 1 1
15 2939 1 1 2 CYS HB2 H -2.898 1.443 0.778 1.00 . A A . 2 CYS HB2 1 1
15 2940 1 1 2 CYS HB3 H -4.369 2.330 1.173 1.00 . A A . 2 CYS HB3 1 1
15 2941 1 1 2 CYS N N -3.784 4.474 -0.341 1.00 . A A . 2 CYS N 1 1
15 2942 1 1 2 CYS O O -1.662 2.910 -1.706 1.00 . A A . 2 CYS O 1 1
15 2943 1 1 2 CYS SG S -4.294 1.735 -1.148 1.00 . A A . 2 CYS SG 1 1
15 2944 1 1 3 VAL C C 1.970 3.126 -0.011 1.00 . A A . 3 VAL C 1 1
15 2945 1 1 3 VAL CA C 0.818 3.612 -0.885 1.00 . A A . 3 VAL CA 1 1
15 2946 1 1 3 VAL CB C 1.095 5.024 -1.387 1.00 . A A . 3 VAL CB 1 1
15 2947 1 1 3 VAL CG1 C 2.513 5.098 -1.958 1.00 . A A . 3 VAL CG1 1 1
15 2948 1 1 3 VAL CG2 C 0.084 5.390 -2.477 1.00 . A A . 3 VAL CG2 1 1
15 2949 1 1 3 VAL H H -0.396 4.109 0.826 1.00 . A A . 3 VAL H 1 1
15 2950 1 1 3 VAL HA H 0.666 2.945 -1.704 1.00 . A A . 3 VAL HA 1 1
15 2951 1 1 3 VAL HB H 1.002 5.712 -0.561 1.00 . A A . 3 VAL HB 1 1
15 2952 1 1 3 VAL HG11 H 2.717 4.208 -2.533 1.00 . A A . 3 VAL HG11 1 1
15 2953 1 1 3 VAL HG12 H 2.601 5.967 -2.594 1.00 . A A . 3 VAL HG12 1 1
15 2954 1 1 3 VAL HG13 H 3.223 5.174 -1.146 1.00 . A A . 3 VAL HG13 1 1
15 2955 1 1 3 VAL HG21 H -0.712 4.660 -2.490 1.00 . A A . 3 VAL HG21 1 1
15 2956 1 1 3 VAL HG22 H -0.326 6.368 -2.274 1.00 . A A . 3 VAL HG22 1 1
15 2957 1 1 3 VAL HG23 H 0.579 5.400 -3.437 1.00 . A A . 3 VAL HG23 1 1
15 2958 1 1 3 VAL N N -0.433 3.740 -0.080 1.00 . A A . 3 VAL N 1 1
15 2959 1 1 3 VAL O O 3.120 3.136 -0.402 1.00 . A A . 3 VAL O 1 1
15 2960 1 1 4 VAL C C 3.411 0.986 1.516 1.00 . A A . 4 VAL C 1 1
15 2961 1 1 4 VAL CA C 2.714 2.210 2.102 1.00 . A A . 4 VAL CA 1 1
15 2962 1 1 4 VAL CB C 1.983 1.837 3.397 1.00 . A A . 4 VAL CB 1 1
15 2963 1 1 4 VAL CG1 C 0.686 1.099 3.063 1.00 . A A . 4 VAL CG1 1 1
15 2964 1 1 4 VAL CG2 C 2.867 0.926 4.255 1.00 . A A . 4 VAL CG2 1 1
15 2965 1 1 4 VAL H H 0.721 2.719 1.439 1.00 . A A . 4 VAL H 1 1
15 2966 1 1 4 VAL HA H 3.433 2.989 2.300 1.00 . A A . 4 VAL HA 1 1
15 2967 1 1 4 VAL HB H 1.758 2.735 3.946 1.00 . A A . 4 VAL HB 1 1
15 2968 1 1 4 VAL HG11 H 0.817 0.538 2.150 1.00 . A A . 4 VAL HG11 1 1
15 2969 1 1 4 VAL HG12 H 0.439 0.423 3.868 1.00 . A A . 4 VAL HG12 1 1
15 2970 1 1 4 VAL HG13 H -0.112 1.815 2.934 1.00 . A A . 4 VAL HG13 1 1
15 2971 1 1 4 VAL HG21 H 3.098 0.027 3.703 1.00 . A A . 4 VAL HG21 1 1
15 2972 1 1 4 VAL HG22 H 3.782 1.443 4.504 1.00 . A A . 4 VAL HG22 1 1
15 2973 1 1 4 VAL HG23 H 2.342 0.664 5.162 1.00 . A A . 4 VAL HG23 1 1
15 2974 1 1 4 VAL N N 1.657 2.705 1.169 1.00 . A A . 4 VAL N 1 1
15 2975 1 1 4 VAL O O 2.987 0.426 0.525 1.00 . A A . 4 VAL O 1 1
15 2976 1 1 5 GLN C C 5.340 -0.530 0.099 1.00 . A A . 5 GLN C 1 1
15 2977 1 1 5 GLN CA C 5.221 -0.611 1.615 1.00 . A A . 5 GLN CA 1 1
15 2978 1 1 5 GLN CB C 4.394 -1.816 2.025 1.00 . A A . 5 GLN CB 1 1
15 2979 1 1 5 GLN CD C 3.029 -2.405 4.041 1.00 . A A . 5 GLN CD 1 1
15 2980 1 1 5 GLN CG C 4.403 -1.944 3.551 1.00 . A A . 5 GLN CG 1 1
15 2981 1 1 5 GLN H H 4.804 1.047 2.919 1.00 . A A . 5 GLN H 1 1
15 2982 1 1 5 GLN HA H 6.200 -0.665 2.066 1.00 . A A . 5 GLN HA 1 1
15 2983 1 1 5 GLN HB2 H 3.381 -1.693 1.672 1.00 . A A . 5 GLN HB2 1 1
15 2984 1 1 5 GLN HB3 H 4.826 -2.700 1.586 1.00 . A A . 5 GLN HB3 1 1
15 2985 1 1 5 GLN HE21 H 3.065 -1.250 5.660 1.00 . A A . 5 GLN HE21 1 1
15 2986 1 1 5 GLN HE22 H 1.663 -2.204 5.474 1.00 . A A . 5 GLN HE22 1 1
15 2987 1 1 5 GLN HG2 H 5.152 -2.665 3.845 1.00 . A A . 5 GLN HG2 1 1
15 2988 1 1 5 GLN HG3 H 4.636 -0.985 3.989 1.00 . A A . 5 GLN HG3 1 1
15 2989 1 1 5 GLN N N 4.483 0.573 2.125 1.00 . A A . 5 GLN N 1 1
15 2990 1 1 5 GLN NE2 N 2.545 -1.912 5.150 1.00 . A A . 5 GLN NE2 1 1
15 2991 1 1 5 GLN O O 4.465 -0.931 -0.640 1.00 . A A . 5 GLN O 1 1
15 2992 1 1 5 GLN OE1 O 2.388 -3.221 3.410 1.00 . A A . 5 GLN OE1 1 1
15 2993 1 1 6 ASP C C 7.009 -1.198 -2.449 1.00 . A A . 6 ASP C 1 1
15 2994 1 1 6 ASP CA C 6.656 0.148 -1.816 1.00 . A A . 6 ASP CA 1 1
15 2995 1 1 6 ASP CB C 7.848 1.089 -1.903 1.00 . A A . 6 ASP CB 1 1
15 2996 1 1 6 ASP CG C 8.169 1.383 -3.369 1.00 . A A . 6 ASP CG 1 1
15 2997 1 1 6 ASP H H 7.096 0.313 0.283 1.00 . A A . 6 ASP H 1 1
15 2998 1 1 6 ASP HA H 5.798 0.588 -2.300 1.00 . A A . 6 ASP HA 1 1
15 2999 1 1 6 ASP HB2 H 7.614 2.010 -1.391 1.00 . A A . 6 ASP HB2 1 1
15 3000 1 1 6 ASP HB3 H 8.701 0.619 -1.434 1.00 . A A . 6 ASP HB3 1 1
15 3001 1 1 6 ASP N N 6.425 0.000 -0.352 1.00 . A A . 6 ASP N 1 1
15 3002 1 1 6 ASP O O 6.849 -1.402 -3.636 1.00 . A A . 6 ASP O 1 1
15 3003 1 1 6 ASP OD1 O 7.237 1.576 -4.132 1.00 . A A . 6 ASP OD1 1 1
15 3004 1 1 6 ASP OD2 O 9.343 1.410 -3.704 1.00 . A A . 6 ASP OD2 1 1
15 3005 1 1 7 TRP C C 6.874 -4.506 -1.813 1.00 . A A . 7 TRP C 1 1
15 3006 1 1 7 TRP CA C 7.882 -3.441 -2.222 1.00 . A A . 7 TRP CA 1 1
15 3007 1 1 7 TRP CB C 9.245 -3.767 -1.612 1.00 . A A . 7 TRP CB 1 1
15 3008 1 1 7 TRP CD1 C 10.053 -2.413 0.360 1.00 . A A . 7 TRP CD1 1 1
15 3009 1 1 7 TRP CD2 C 8.537 -3.958 0.956 1.00 . A A . 7 TRP CD2 1 1
15 3010 1 1 7 TRP CE2 C 8.909 -3.280 2.140 1.00 . A A . 7 TRP CE2 1 1
15 3011 1 1 7 TRP CE3 C 7.587 -4.983 1.055 1.00 . A A . 7 TRP CE3 1 1
15 3012 1 1 7 TRP CG C 9.282 -3.389 -0.160 1.00 . A A . 7 TRP CG 1 1
15 3013 1 1 7 TRP CH2 C 7.412 -4.637 3.458 1.00 . A A . 7 TRP CH2 1 1
15 3014 1 1 7 TRP CZ2 C 8.357 -3.611 3.379 1.00 . A A . 7 TRP CZ2 1 1
15 3015 1 1 7 TRP CZ3 C 7.027 -5.321 2.296 1.00 . A A . 7 TRP CZ3 1 1
15 3016 1 1 7 TRP H H 7.627 -1.919 -0.714 1.00 . A A . 7 TRP H 1 1
15 3017 1 1 7 TRP HA H 7.964 -3.392 -3.296 1.00 . A A . 7 TRP HA 1 1
15 3018 1 1 7 TRP HB2 H 9.422 -4.825 -1.703 1.00 . A A . 7 TRP HB2 1 1
15 3019 1 1 7 TRP HB3 H 10.011 -3.226 -2.143 1.00 . A A . 7 TRP HB3 1 1
15 3020 1 1 7 TRP HD1 H 10.728 -1.791 -0.198 1.00 . A A . 7 TRP HD1 1 1
15 3021 1 1 7 TRP HE1 H 10.279 -1.724 2.338 1.00 . A A . 7 TRP HE1 1 1
15 3022 1 1 7 TRP HE3 H 7.285 -5.513 0.170 1.00 . A A . 7 TRP HE3 1 1
15 3023 1 1 7 TRP HH2 H 6.979 -4.901 4.411 1.00 . A A . 7 TRP HH2 1 1
15 3024 1 1 7 TRP HZ2 H 8.659 -3.080 4.270 1.00 . A A . 7 TRP HZ2 1 1
15 3025 1 1 7 TRP HZ3 H 6.296 -6.113 2.358 1.00 . A A . 7 TRP HZ3 1 1
15 3026 1 1 7 TRP N N 7.501 -2.111 -1.666 1.00 . A A . 7 TRP N 1 1
15 3027 1 1 7 TRP NE1 N 9.838 -2.348 1.725 1.00 . A A . 7 TRP NE1 1 1
15 3028 1 1 7 TRP O O 6.943 -5.639 -2.249 1.00 . A A . 7 TRP O 1 1
15 3029 1 1 8 GLY C C 3.627 -4.514 -0.205 1.00 . A A . 8 GLY C 1 1
15 3030 1 1 8 GLY CA C 4.974 -5.175 -0.505 1.00 . A A . 8 GLY CA 1 1
15 3031 1 1 8 GLY H H 5.933 -3.259 -0.609 1.00 . A A . 8 GLY H 1 1
15 3032 1 1 8 GLY HA2 H 4.848 -5.917 -1.277 1.00 . A A . 8 GLY HA2 1 1
15 3033 1 1 8 GLY HA3 H 5.347 -5.648 0.390 1.00 . A A . 8 GLY HA3 1 1
15 3034 1 1 8 GLY N N 5.959 -4.166 -0.959 1.00 . A A . 8 GLY N 1 1
15 3035 1 1 8 GLY O O 3.379 -4.050 0.890 1.00 . A A . 8 GLY O 1 1
15 3036 1 1 9 HIS C C 0.515 -4.855 -0.176 1.00 . A A . 9 HIS C 1 1
15 3037 1 1 9 HIS CA C 1.408 -3.876 -0.948 1.00 . A A . 9 HIS CA 1 1
15 3038 1 1 9 HIS CB C 0.842 -3.641 -2.350 1.00 . A A . 9 HIS CB 1 1
15 3039 1 1 9 HIS CD2 C 3.016 -2.252 -2.851 1.00 . A A . 9 HIS CD2 1 1
15 3040 1 1 9 HIS CE1 C 2.626 -1.803 -4.935 1.00 . A A . 9 HIS CE1 1 1
15 3041 1 1 9 HIS CG C 1.813 -2.833 -3.165 1.00 . A A . 9 HIS CG 1 1
15 3042 1 1 9 HIS H H 2.975 -4.873 -2.036 1.00 . A A . 9 HIS H 1 1
15 3043 1 1 9 HIS HA H 1.494 -2.941 -0.419 1.00 . A A . 9 HIS HA 1 1
15 3044 1 1 9 HIS HB2 H 0.674 -4.593 -2.835 1.00 . A A . 9 HIS HB2 1 1
15 3045 1 1 9 HIS HB3 H -0.092 -3.106 -2.273 1.00 . A A . 9 HIS HB3 1 1
15 3046 1 1 9 HIS HD1 H 0.806 -2.806 -5.030 1.00 . A A . 9 HIS HD1 1 1
15 3047 1 1 9 HIS HD2 H 3.491 -2.295 -1.885 1.00 . A A . 9 HIS HD2 1 1
15 3048 1 1 9 HIS HE1 H 2.721 -1.424 -5.943 1.00 . A A . 9 HIS HE1 1 1
15 3049 1 1 9 HIS N N 2.750 -4.487 -1.168 1.00 . A A . 9 HIS N 1 1
15 3050 1 1 9 HIS ND1 N 1.584 -2.534 -4.500 1.00 . A A . 9 HIS ND1 1 1
15 3051 1 1 9 HIS NE2 N 3.528 -1.602 -3.971 1.00 . A A . 9 HIS NE2 1 1
15 3052 1 1 9 HIS O O 0.838 -6.018 -0.033 1.00 . A A . 9 HIS O 1 1
15 3053 1 1 10 HIS C C -2.790 -5.585 0.308 1.00 . A A . 10 HIS C 1 1
15 3054 1 1 10 HIS CA C -1.500 -5.312 1.095 1.00 . A A . 10 HIS CA 1 1
15 3055 1 1 10 HIS CB C -1.797 -4.563 2.396 1.00 . A A . 10 HIS CB 1 1
15 3056 1 1 10 HIS CD2 C 0.132 -5.983 3.464 1.00 . A A . 10 HIS CD2 1 1
15 3057 1 1 10 HIS CE1 C 0.138 -5.079 5.434 1.00 . A A . 10 HIS CE1 1 1
15 3058 1 1 10 HIS CG C -0.844 -5.019 3.463 1.00 . A A . 10 HIS CG 1 1
15 3059 1 1 10 HIS H H -0.845 -3.457 0.206 1.00 . A A . 10 HIS H 1 1
15 3060 1 1 10 HIS HA H -0.992 -6.237 1.313 1.00 . A A . 10 HIS HA 1 1
15 3061 1 1 10 HIS HB2 H -1.675 -3.501 2.237 1.00 . A A . 10 HIS HB2 1 1
15 3062 1 1 10 HIS HB3 H -2.809 -4.766 2.708 1.00 . A A . 10 HIS HB3 1 1
15 3063 1 1 10 HIS HD1 H -1.404 -3.737 5.053 1.00 . A A . 10 HIS HD1 1 1
15 3064 1 1 10 HIS HD2 H 0.379 -6.618 2.626 1.00 . A A . 10 HIS HD2 1 1
15 3065 1 1 10 HIS HE1 H 0.380 -4.850 6.462 1.00 . A A . 10 HIS HE1 1 1
15 3066 1 1 10 HIS N N -0.601 -4.398 0.327 1.00 . A A . 10 HIS N 1 1
15 3067 1 1 10 HIS ND1 N -0.824 -4.457 4.730 1.00 . A A . 10 HIS ND1 1 1
15 3068 1 1 10 HIS NE2 N 0.753 -6.019 4.710 1.00 . A A . 10 HIS NE2 1 1
15 3069 1 1 10 HIS O O -2.834 -6.456 -0.539 1.00 . A A . 10 HIS O 1 1
15 3070 1 1 11 ARG C C -5.986 -3.812 -0.101 1.00 . A A . 11 ARG C 1 1
15 3071 1 1 11 ARG CA C -5.108 -5.071 -0.173 1.00 . A A . 11 ARG CA 1 1
15 3072 1 1 11 ARG CB C -5.770 -6.297 0.475 1.00 . A A . 11 ARG CB 1 1
15 3073 1 1 11 ARG CD C -5.392 -5.232 2.708 1.00 . A A . 11 ARG CD 1 1
15 3074 1 1 11 ARG CG C -6.408 -5.941 1.817 1.00 . A A . 11 ARG CG 1 1
15 3075 1 1 11 ARG CZ C -5.831 -4.520 4.981 1.00 . A A . 11 ARG CZ 1 1
15 3076 1 1 11 ARG H H -3.787 -4.147 1.252 1.00 . A A . 11 ARG H 1 1
15 3077 1 1 11 ARG HA H -4.890 -5.294 -1.201 1.00 . A A . 11 ARG HA 1 1
15 3078 1 1 11 ARG HB2 H -6.532 -6.680 -0.186 1.00 . A A . 11 ARG HB2 1 1
15 3079 1 1 11 ARG HB3 H -5.022 -7.061 0.631 1.00 . A A . 11 ARG HB3 1 1
15 3080 1 1 11 ARG HD2 H -4.410 -5.657 2.565 1.00 . A A . 11 ARG HD2 1 1
15 3081 1 1 11 ARG HD3 H -5.381 -4.172 2.503 1.00 . A A . 11 ARG HD3 1 1
15 3082 1 1 11 ARG HE H -6.213 -6.362 4.349 1.00 . A A . 11 ARG HE 1 1
15 3083 1 1 11 ARG HG2 H -7.258 -5.305 1.651 1.00 . A A . 11 ARG HG2 1 1
15 3084 1 1 11 ARG HG3 H -6.734 -6.847 2.303 1.00 . A A . 11 ARG HG3 1 1
15 3085 1 1 11 ARG HH11 H -7.350 -3.504 4.161 1.00 . A A . 11 ARG HH11 1 1
15 3086 1 1 11 ARG HH12 H -6.650 -2.794 5.585 1.00 . A A . 11 ARG HH12 1 1
15 3087 1 1 11 ARG HH21 H -4.310 -5.319 6.007 1.00 . A A . 11 ARG HH21 1 1
15 3088 1 1 11 ARG HH22 H -4.920 -3.819 6.622 1.00 . A A . 11 ARG HH22 1 1
15 3089 1 1 11 ARG N N -3.837 -4.850 0.572 1.00 . A A . 11 ARG N 1 1
15 3090 1 1 11 ARG NE N -5.868 -5.479 4.098 1.00 . A A . 11 ARG NE 1 1
15 3091 1 1 11 ARG NH1 N -6.675 -3.528 4.902 1.00 . A A . 11 ARG NH1 1 1
15 3092 1 1 11 ARG NH2 N -4.952 -4.557 5.946 1.00 . A A . 11 ARG NH2 1 1
15 3093 1 1 11 ARG O O -6.733 -3.598 0.827 1.00 . A A . 11 ARG O 1 1
15 3094 1 1 12 CYS C C -8.053 -1.956 -1.718 1.00 . A A . 12 CYS C 1 1
15 3095 1 1 12 CYS CA C -6.682 -1.707 -1.088 1.00 . A A . 12 CYS CA 1 1
15 3096 1 1 12 CYS CB C -5.877 -0.726 -1.940 1.00 . A A . 12 CYS CB 1 1
15 3097 1 1 12 CYS H H -5.254 -3.143 -1.818 1.00 . A A . 12 CYS H 1 1
15 3098 1 1 12 CYS HA H -6.789 -1.323 -0.089 1.00 . A A . 12 CYS HA 1 1
15 3099 1 1 12 CYS HB2 H -5.631 -1.188 -2.886 1.00 . A A . 12 CYS HB2 1 1
15 3100 1 1 12 CYS HB3 H -6.464 0.163 -2.116 1.00 . A A . 12 CYS HB3 1 1
15 3101 1 1 12 CYS N N -5.876 -2.961 -1.085 1.00 . A A . 12 CYS N 1 1
15 3102 1 1 12 CYS O O -9.066 -1.964 -1.048 1.00 . A A . 12 CYS O 1 1
15 3103 1 1 12 CYS SG S -4.350 -0.282 -1.072 1.00 . A A . 12 CYS SG 1 1
15 3104 1 1 13 THR C C -9.171 -3.178 -4.990 1.00 . A A . 13 THR C 1 1
15 3105 1 1 13 THR CA C -9.392 -2.402 -3.689 1.00 . A A . 13 THR CA 1 1
15 3106 1 1 13 THR CB C -9.959 -1.012 -3.987 1.00 . A A . 13 THR CB 1 1
15 3107 1 1 13 THR CG2 C -11.320 -0.860 -3.308 1.00 . A A . 13 THR CG2 1 1
15 3108 1 1 13 THR H H -7.259 -2.140 -3.523 1.00 . A A . 13 THR H 1 1
15 3109 1 1 13 THR HA H -10.062 -2.942 -3.040 1.00 . A A . 13 THR HA 1 1
15 3110 1 1 13 THR HB H -10.080 -0.896 -5.052 1.00 . A A . 13 THR HB 1 1
15 3111 1 1 13 THR HG1 H -9.382 0.268 -2.640 1.00 . A A . 13 THR HG1 1 1
15 3112 1 1 13 THR HG21 H -11.293 -1.333 -2.336 1.00 . A A . 13 THR HG21 1 1
15 3113 1 1 13 THR HG22 H -11.549 0.188 -3.194 1.00 . A A . 13 THR HG22 1 1
15 3114 1 1 13 THR HG23 H -12.079 -1.331 -3.915 1.00 . A A . 13 THR HG23 1 1
15 3115 1 1 13 THR N N -8.089 -2.156 -3.006 1.00 . A A . 13 THR N 1 1
15 3116 1 1 13 THR O O -9.025 -2.594 -6.048 1.00 . A A . 13 THR O 1 1
15 3117 1 1 13 THR OG1 O -9.069 -0.017 -3.501 1.00 . A A . 13 THR OG1 1 1
15 3118 1 1 14 NH2 HN1 H -9.260 -4.953 -4.105 1.00 . A A . 14 NH2 HN1 1 1
15 3119 1 1 14 NH2 HN2 H -9.001 -4.989 -5.790 1.00 . A A . 14 NH2 HN2 1 1
15 3120 1 1 14 NH2 N N -9.142 -4.481 -4.959 1.00 . A A . 14 NH2 N 1 1
16 3121 1 1 1 ILE C C -4.204 5.477 0.563 1.00 . A A . 1 ILE C 1 1
16 3122 1 1 1 ILE CA C -5.189 6.475 -0.061 1.00 . A A . 1 ILE CA 1 1
16 3123 1 1 1 ILE CB C -4.857 7.921 0.337 1.00 . A A . 1 ILE CB 1 1
16 3124 1 1 1 ILE CD1 C -2.385 7.597 0.106 1.00 . A A . 1 ILE CD1 1 1
16 3125 1 1 1 ILE CG1 C -3.597 8.381 -0.400 1.00 . A A . 1 ILE CG1 1 1
16 3126 1 1 1 ILE CG2 C -4.627 8.020 1.847 1.00 . A A . 1 ILE CG2 1 1
16 3127 1 1 1 ILE H1 H -6.803 5.233 0.386 1.00 . A A . 1 ILE H1 1 1
16 3128 1 1 1 ILE H2 H -6.609 6.529 1.463 1.00 . A A . 1 ILE H2 1 1
16 3129 1 1 1 ILE H3 H -7.245 6.804 -0.087 1.00 . A A . 1 ILE H3 1 1
16 3130 1 1 1 ILE HA H -5.183 6.382 -1.135 1.00 . A A . 1 ILE HA 1 1
16 3131 1 1 1 ILE HB H -5.683 8.561 0.065 1.00 . A A . 1 ILE HB 1 1
16 3132 1 1 1 ILE HD11 H -2.441 7.499 1.181 1.00 . A A . 1 ILE HD11 1 1
16 3133 1 1 1 ILE HD12 H -2.376 6.617 -0.345 1.00 . A A . 1 ILE HD12 1 1
16 3134 1 1 1 ILE HD13 H -1.480 8.124 -0.158 1.00 . A A . 1 ILE HD13 1 1
16 3135 1 1 1 ILE HG12 H -3.721 8.212 -1.459 1.00 . A A . 1 ILE HG12 1 1
16 3136 1 1 1 ILE HG13 H -3.442 9.434 -0.219 1.00 . A A . 1 ILE HG13 1 1
16 3137 1 1 1 ILE HG21 H -5.060 7.160 2.336 1.00 . A A . 1 ILE HG21 1 1
16 3138 1 1 1 ILE HG22 H -3.566 8.052 2.050 1.00 . A A . 1 ILE HG22 1 1
16 3139 1 1 1 ILE HG23 H -5.091 8.920 2.223 1.00 . A A . 1 ILE HG23 1 1
16 3140 1 1 1 ILE N N -6.565 6.242 0.466 1.00 . A A . 1 ILE N 1 1
16 3141 1 1 1 ILE O O -3.538 5.763 1.538 1.00 . A A . 1 ILE O 1 1
16 3142 1 1 2 CYS C C -2.050 2.967 -0.437 1.00 . A A . 2 CYS C 1 1
16 3143 1 1 2 CYS CA C -3.154 3.294 0.575 1.00 . A A . 2 CYS CA 1 1
16 3144 1 1 2 CYS CB C -4.010 2.059 0.881 1.00 . A A . 2 CYS CB 1 1
16 3145 1 1 2 CYS H H -4.641 4.076 -0.779 1.00 . A A . 2 CYS H 1 1
16 3146 1 1 2 CYS HA H -2.720 3.670 1.487 1.00 . A A . 2 CYS HA 1 1
16 3147 1 1 2 CYS HB2 H -3.419 1.343 1.432 1.00 . A A . 2 CYS HB2 1 1
16 3148 1 1 2 CYS HB3 H -4.862 2.353 1.478 1.00 . A A . 2 CYS HB3 1 1
16 3149 1 1 2 CYS N N -4.100 4.299 0.008 1.00 . A A . 2 CYS N 1 1
16 3150 1 1 2 CYS O O -2.303 2.471 -1.517 1.00 . A A . 2 CYS O 1 1
16 3151 1 1 2 CYS SG S -4.587 1.298 -0.659 1.00 . A A . 2 CYS SG 1 1
16 3152 1 1 3 VAL C C 1.566 2.607 -0.275 1.00 . A A . 3 VAL C 1 1
16 3153 1 1 3 VAL CA C 0.298 2.949 -1.040 1.00 . A A . 3 VAL CA 1 1
16 3154 1 1 3 VAL CB C 0.509 4.231 -1.831 1.00 . A A . 3 VAL CB 1 1
16 3155 1 1 3 VAL CG1 C 1.475 3.963 -2.988 1.00 . A A . 3 VAL CG1 1 1
16 3156 1 1 3 VAL CG2 C -0.826 4.726 -2.386 1.00 . A A . 3 VAL CG2 1 1
16 3157 1 1 3 VAL H H -0.637 3.651 0.777 1.00 . A A . 3 VAL H 1 1
16 3158 1 1 3 VAL HA H 0.029 2.144 -1.690 1.00 . A A . 3 VAL HA 1 1
16 3159 1 1 3 VAL HB H 0.929 4.977 -1.173 1.00 . A A . 3 VAL HB 1 1
16 3160 1 1 3 VAL HG11 H 1.874 2.963 -2.901 1.00 . A A . 3 VAL HG11 1 1
16 3161 1 1 3 VAL HG12 H 0.948 4.060 -3.925 1.00 . A A . 3 VAL HG12 1 1
16 3162 1 1 3 VAL HG13 H 2.284 4.678 -2.954 1.00 . A A . 3 VAL HG13 1 1
16 3163 1 1 3 VAL HG21 H -1.303 3.931 -2.938 1.00 . A A . 3 VAL HG21 1 1
16 3164 1 1 3 VAL HG22 H -1.465 5.033 -1.572 1.00 . A A . 3 VAL HG22 1 1
16 3165 1 1 3 VAL HG23 H -0.652 5.565 -3.042 1.00 . A A . 3 VAL HG23 1 1
16 3166 1 1 3 VAL N N -0.822 3.246 -0.097 1.00 . A A . 3 VAL N 1 1
16 3167 1 1 3 VAL O O 2.650 2.574 -0.823 1.00 . A A . 3 VAL O 1 1
16 3168 1 1 4 VAL C C 3.412 0.875 1.156 1.00 . A A . 4 VAL C 1 1
16 3169 1 1 4 VAL CA C 2.637 2.021 1.802 1.00 . A A . 4 VAL CA 1 1
16 3170 1 1 4 VAL CB C 2.110 1.606 3.181 1.00 . A A . 4 VAL CB 1 1
16 3171 1 1 4 VAL CG1 C 0.832 0.774 3.036 1.00 . A A . 4 VAL CG1 1 1
16 3172 1 1 4 VAL CG2 C 3.167 0.772 3.910 1.00 . A A . 4 VAL CG2 1 1
16 3173 1 1 4 VAL H H 0.553 2.399 1.387 1.00 . A A . 4 VAL H 1 1
16 3174 1 1 4 VAL HA H 3.272 2.888 1.902 1.00 . A A . 4 VAL HA 1 1
16 3175 1 1 4 VAL HB H 1.902 2.491 3.755 1.00 . A A . 4 VAL HB 1 1
16 3176 1 1 4 VAL HG11 H 0.825 0.289 2.071 1.00 . A A . 4 VAL HG11 1 1
16 3177 1 1 4 VAL HG12 H 0.802 0.026 3.816 1.00 . A A . 4 VAL HG12 1 1
16 3178 1 1 4 VAL HG13 H -0.030 1.419 3.123 1.00 . A A . 4 VAL HG13 1 1
16 3179 1 1 4 VAL HG21 H 4.067 1.355 4.029 1.00 . A A . 4 VAL HG21 1 1
16 3180 1 1 4 VAL HG22 H 2.793 0.484 4.881 1.00 . A A . 4 VAL HG22 1 1
16 3181 1 1 4 VAL HG23 H 3.386 -0.114 3.332 1.00 . A A . 4 VAL HG23 1 1
16 3182 1 1 4 VAL N N 1.438 2.358 0.985 1.00 . A A . 4 VAL N 1 1
16 3183 1 1 4 VAL O O 2.903 0.152 0.324 1.00 . A A . 4 VAL O 1 1
16 3184 1 1 5 GLN C C 5.253 -0.485 -0.530 1.00 . A A . 5 GLN C 1 1
16 3185 1 1 5 GLN CA C 5.486 -0.368 0.968 1.00 . A A . 5 GLN CA 1 1
16 3186 1 1 5 GLN CB C 5.046 -1.644 1.660 1.00 . A A . 5 GLN CB 1 1
16 3187 1 1 5 GLN CD C 5.694 -1.441 4.064 1.00 . A A . 5 GLN CD 1 1
16 3188 1 1 5 GLN CG C 6.083 -2.037 2.712 1.00 . A A . 5 GLN CG 1 1
16 3189 1 1 5 GLN H H 5.022 1.324 2.210 1.00 . A A . 5 GLN H 1 1
16 3190 1 1 5 GLN HA H 6.529 -0.183 1.170 1.00 . A A . 5 GLN HA 1 1
16 3191 1 1 5 GLN HB2 H 4.088 -1.488 2.128 1.00 . A A . 5 GLN HB2 1 1
16 3192 1 1 5 GLN HB3 H 4.970 -2.424 0.925 1.00 . A A . 5 GLN HB3 1 1
16 3193 1 1 5 GLN HE21 H 5.672 -3.203 4.983 1.00 . A A . 5 GLN HE21 1 1
16 3194 1 1 5 GLN HE22 H 5.289 -1.861 5.964 1.00 . A A . 5 GLN HE22 1 1
16 3195 1 1 5 GLN HG2 H 6.124 -3.113 2.791 1.00 . A A . 5 GLN HG2 1 1
16 3196 1 1 5 GLN HG3 H 7.050 -1.659 2.420 1.00 . A A . 5 GLN HG3 1 1
16 3197 1 1 5 GLN N N 4.646 0.718 1.541 1.00 . A A . 5 GLN N 1 1
16 3198 1 1 5 GLN NE2 N 5.538 -2.233 5.088 1.00 . A A . 5 GLN NE2 1 1
16 3199 1 1 5 GLN O O 4.327 -1.121 -0.988 1.00 . A A . 5 GLN O 1 1
16 3200 1 1 5 GLN OE1 O 5.530 -0.244 4.190 1.00 . A A . 5 GLN OE1 1 1
16 3201 1 1 6 ASP C C 5.945 -1.392 -3.238 1.00 . A A . 6 ASP C 1 1
16 3202 1 1 6 ASP CA C 5.969 0.063 -2.769 1.00 . A A . 6 ASP CA 1 1
16 3203 1 1 6 ASP CB C 7.207 0.779 -3.311 1.00 . A A . 6 ASP CB 1 1
16 3204 1 1 6 ASP CG C 7.374 2.125 -2.603 1.00 . A A . 6 ASP CG 1 1
16 3205 1 1 6 ASP H H 6.836 0.608 -0.871 1.00 . A A . 6 ASP H 1 1
16 3206 1 1 6 ASP HA H 5.076 0.577 -3.089 1.00 . A A . 6 ASP HA 1 1
16 3207 1 1 6 ASP HB2 H 8.080 0.169 -3.133 1.00 . A A . 6 ASP HB2 1 1
16 3208 1 1 6 ASP HB3 H 7.094 0.945 -4.371 1.00 . A A . 6 ASP HB3 1 1
16 3209 1 1 6 ASP N N 6.103 0.120 -1.285 1.00 . A A . 6 ASP N 1 1
16 3210 1 1 6 ASP O O 5.365 -1.720 -4.253 1.00 . A A . 6 ASP O 1 1
16 3211 1 1 6 ASP OD1 O 6.614 3.030 -2.905 1.00 . A A . 6 ASP OD1 1 1
16 3212 1 1 6 ASP OD2 O 8.261 2.229 -1.772 1.00 . A A . 6 ASP OD2 1 1
16 3213 1 1 7 TRP C C 5.879 -4.560 -1.872 1.00 . A A . 7 TRP C 1 1
16 3214 1 1 7 TRP CA C 6.597 -3.700 -2.909 1.00 . A A . 7 TRP CA 1 1
16 3215 1 1 7 TRP CB C 8.075 -4.082 -2.969 1.00 . A A . 7 TRP CB 1 1
16 3216 1 1 7 TRP CD1 C 9.753 -2.523 -1.904 1.00 . A A . 7 TRP CD1 1 1
16 3217 1 1 7 TRP CD2 C 8.720 -3.822 -0.388 1.00 . A A . 7 TRP CD2 1 1
16 3218 1 1 7 TRP CE2 C 9.625 -3.001 0.327 1.00 . A A . 7 TRP CE2 1 1
16 3219 1 1 7 TRP CE3 C 7.941 -4.737 0.339 1.00 . A A . 7 TRP CE3 1 1
16 3220 1 1 7 TRP CG C 8.819 -3.493 -1.807 1.00 . A A . 7 TRP CG 1 1
16 3221 1 1 7 TRP CH2 C 8.969 -4.006 2.422 1.00 . A A . 7 TRP CH2 1 1
16 3222 1 1 7 TRP CZ2 C 9.752 -3.089 1.716 1.00 . A A . 7 TRP CZ2 1 1
16 3223 1 1 7 TRP CZ3 C 8.065 -4.828 1.735 1.00 . A A . 7 TRP CZ3 1 1
16 3224 1 1 7 TRP H H 7.043 -1.981 -1.694 1.00 . A A . 7 TRP H 1 1
16 3225 1 1 7 TRP HA H 6.145 -3.824 -3.880 1.00 . A A . 7 TRP HA 1 1
16 3226 1 1 7 TRP HB2 H 8.164 -5.154 -2.939 1.00 . A A . 7 TRP HB2 1 1
16 3227 1 1 7 TRP HB3 H 8.499 -3.711 -3.890 1.00 . A A . 7 TRP HB3 1 1
16 3228 1 1 7 TRP HD1 H 10.072 -2.054 -2.819 1.00 . A A . 7 TRP HD1 1 1
16 3229 1 1 7 TRP HE1 H 10.917 -1.557 -0.436 1.00 . A A . 7 TRP HE1 1 1
16 3230 1 1 7 TRP HE3 H 7.242 -5.373 -0.178 1.00 . A A . 7 TRP HE3 1 1
16 3231 1 1 7 TRP HH2 H 9.061 -4.081 3.496 1.00 . A A . 7 TRP HH2 1 1
16 3232 1 1 7 TRP HZ2 H 10.450 -2.452 2.240 1.00 . A A . 7 TRP HZ2 1 1
16 3233 1 1 7 TRP HZ3 H 7.461 -5.536 2.283 1.00 . A A . 7 TRP HZ3 1 1
16 3234 1 1 7 TRP N N 6.577 -2.266 -2.506 1.00 . A A . 7 TRP N 1 1
16 3235 1 1 7 TRP NE1 N 10.232 -2.228 -0.640 1.00 . A A . 7 TRP NE1 1 1
16 3236 1 1 7 TRP O O 5.589 -5.716 -2.104 1.00 . A A . 7 TRP O 1 1
16 3237 1 1 8 GLY C C 3.548 -4.229 0.633 1.00 . A A . 8 GLY C 1 1
16 3238 1 1 8 GLY CA C 4.937 -4.805 0.339 1.00 . A A . 8 GLY CA 1 1
16 3239 1 1 8 GLY H H 5.871 -3.086 -0.558 1.00 . A A . 8 GLY H 1 1
16 3240 1 1 8 GLY HA2 H 4.841 -5.830 0.011 1.00 . A A . 8 GLY HA2 1 1
16 3241 1 1 8 GLY HA3 H 5.534 -4.771 1.238 1.00 . A A . 8 GLY HA3 1 1
16 3242 1 1 8 GLY N N 5.612 -4.012 -0.725 1.00 . A A . 8 GLY N 1 1
16 3243 1 1 8 GLY O O 3.311 -3.665 1.683 1.00 . A A . 8 GLY O 1 1
16 3244 1 1 9 HIS C C 0.476 -4.817 0.855 1.00 . A A . 9 HIS C 1 1
16 3245 1 1 9 HIS CA C 1.253 -3.843 -0.036 1.00 . A A . 9 HIS CA 1 1
16 3246 1 1 9 HIS CB C 0.611 -3.749 -1.420 1.00 . A A . 9 HIS CB 1 1
16 3247 1 1 9 HIS CD2 C 2.237 -1.859 -2.253 1.00 . A A . 9 HIS CD2 1 1
16 3248 1 1 9 HIS CE1 C 2.707 -2.681 -4.201 1.00 . A A . 9 HIS CE1 1 1
16 3249 1 1 9 HIS CG C 1.545 -3.039 -2.362 1.00 . A A . 9 HIS CG 1 1
16 3250 1 1 9 HIS H H 2.831 -4.835 -1.116 1.00 . A A . 9 HIS H 1 1
16 3251 1 1 9 HIS HA H 1.300 -2.867 0.419 1.00 . A A . 9 HIS HA 1 1
16 3252 1 1 9 HIS HB2 H 0.410 -4.743 -1.792 1.00 . A A . 9 HIS HB2 1 1
16 3253 1 1 9 HIS HB3 H -0.313 -3.196 -1.347 1.00 . A A . 9 HIS HB3 1 1
16 3254 1 1 9 HIS HD1 H 1.524 -4.383 -4.002 1.00 . A A . 9 HIS HD1 1 1
16 3255 1 1 9 HIS HD2 H 2.219 -1.204 -1.392 1.00 . A A . 9 HIS HD2 1 1
16 3256 1 1 9 HIS HE1 H 3.126 -2.818 -5.187 1.00 . A A . 9 HIS HE1 1 1
16 3257 1 1 9 HIS N N 2.626 -4.373 -0.278 1.00 . A A . 9 HIS N 1 1
16 3258 1 1 9 HIS ND1 N 1.859 -3.546 -3.614 1.00 . A A . 9 HIS ND1 1 1
16 3259 1 1 9 HIS NE2 N 2.971 -1.635 -3.414 1.00 . A A . 9 HIS NE2 1 1
16 3260 1 1 9 HIS O O 0.893 -5.938 1.073 1.00 . A A . 9 HIS O 1 1
16 3261 1 1 10 HIS C C -2.778 -5.657 1.598 1.00 . A A . 10 HIS C 1 1
16 3262 1 1 10 HIS CA C -1.440 -5.318 2.250 1.00 . A A . 10 HIS CA 1 1
16 3263 1 1 10 HIS CB C -1.662 -4.537 3.545 1.00 . A A . 10 HIS CB 1 1
16 3264 1 1 10 HIS CD2 C -1.957 -5.409 6.005 1.00 . A A . 10 HIS CD2 1 1
16 3265 1 1 10 HIS CE1 C -2.865 -7.323 5.552 1.00 . A A . 10 HIS CE1 1 1
16 3266 1 1 10 HIS CG C -2.055 -5.490 4.638 1.00 . A A . 10 HIS CG 1 1
16 3267 1 1 10 HIS H H -0.973 -3.498 1.187 1.00 . A A . 10 HIS H 1 1
16 3268 1 1 10 HIS HA H -0.884 -6.216 2.453 1.00 . A A . 10 HIS HA 1 1
16 3269 1 1 10 HIS HB2 H -0.751 -4.028 3.821 1.00 . A A . 10 HIS HB2 1 1
16 3270 1 1 10 HIS HB3 H -2.450 -3.814 3.399 1.00 . A A . 10 HIS HB3 1 1
16 3271 1 1 10 HIS HD1 H -2.846 -7.082 3.486 1.00 . A A . 10 HIS HD1 1 1
16 3272 1 1 10 HIS HD2 H -1.550 -4.571 6.550 1.00 . A A . 10 HIS HD2 1 1
16 3273 1 1 10 HIS HE1 H -3.318 -8.300 5.657 1.00 . A A . 10 HIS HE1 1 1
16 3274 1 1 10 HIS N N -0.650 -4.404 1.373 1.00 . A A . 10 HIS N 1 1
16 3275 1 1 10 HIS ND1 N -2.638 -6.720 4.372 1.00 . A A . 10 HIS ND1 1 1
16 3276 1 1 10 HIS NE2 N -2.469 -6.568 6.581 1.00 . A A . 10 HIS NE2 1 1
16 3277 1 1 10 HIS O O -3.213 -6.793 1.604 1.00 . A A . 10 HIS O 1 1
16 3278 1 1 11 ARG C C -5.322 -3.666 -0.209 1.00 . A A . 11 ARG C 1 1
16 3279 1 1 11 ARG CA C -4.747 -4.952 0.390 1.00 . A A . 11 ARG CA 1 1
16 3280 1 1 11 ARG CB C -5.647 -5.467 1.515 1.00 . A A . 11 ARG CB 1 1
16 3281 1 1 11 ARG CD C -5.504 -5.303 4.001 1.00 . A A . 11 ARG CD 1 1
16 3282 1 1 11 ARG CG C -5.593 -4.502 2.700 1.00 . A A . 11 ARG CG 1 1
16 3283 1 1 11 ARG CZ C -7.629 -5.989 4.931 1.00 . A A . 11 ARG CZ 1 1
16 3284 1 1 11 ARG H H -3.066 -3.779 1.049 1.00 . A A . 11 ARG H 1 1
16 3285 1 1 11 ARG HA H -4.642 -5.709 -0.371 1.00 . A A . 11 ARG HA 1 1
16 3286 1 1 11 ARG HB2 H -6.663 -5.542 1.157 1.00 . A A . 11 ARG HB2 1 1
16 3287 1 1 11 ARG HB3 H -5.304 -6.441 1.833 1.00 . A A . 11 ARG HB3 1 1
16 3288 1 1 11 ARG HD2 H -5.416 -6.359 3.783 1.00 . A A . 11 ARG HD2 1 1
16 3289 1 1 11 ARG HD3 H -4.667 -4.969 4.593 1.00 . A A . 11 ARG HD3 1 1
16 3290 1 1 11 ARG HE H -6.981 -4.115 5.020 1.00 . A A . 11 ARG HE 1 1
16 3291 1 1 11 ARG HG2 H -4.726 -3.863 2.608 1.00 . A A . 11 ARG HG2 1 1
16 3292 1 1 11 ARG HG3 H -6.486 -3.896 2.714 1.00 . A A . 11 ARG HG3 1 1
16 3293 1 1 11 ARG HH11 H -7.281 -6.893 3.178 1.00 . A A . 11 ARG HH11 1 1
16 3294 1 1 11 ARG HH12 H -8.454 -7.663 4.204 1.00 . A A . 11 ARG HH12 1 1
16 3295 1 1 11 ARG HH21 H -8.177 -5.310 6.732 1.00 . A A . 11 ARG HH21 1 1
16 3296 1 1 11 ARG HH22 H -8.958 -6.765 6.211 1.00 . A A . 11 ARG HH22 1 1
16 3297 1 1 11 ARG N N -3.435 -4.685 1.040 1.00 . A A . 11 ARG N 1 1
16 3298 1 1 11 ARG NE N -6.780 -5.023 4.714 1.00 . A A . 11 ARG NE 1 1
16 3299 1 1 11 ARG NH1 N -7.803 -6.921 4.034 1.00 . A A . 11 ARG NH1 1 1
16 3300 1 1 11 ARG NH2 N -8.308 -6.024 6.044 1.00 . A A . 11 ARG NH2 1 1
16 3301 1 1 11 ARG O O -6.201 -3.047 0.357 1.00 . A A . 11 ARG O 1 1
16 3302 1 1 12 CYS C C -6.116 -2.366 -3.269 1.00 . A A . 12 CYS C 1 1
16 3303 1 1 12 CYS CA C -5.356 -2.021 -1.985 1.00 . A A . 12 CYS CA 1 1
16 3304 1 1 12 CYS CB C -4.114 -1.196 -2.308 1.00 . A A . 12 CYS CB 1 1
16 3305 1 1 12 CYS H H -4.128 -3.775 -1.792 1.00 . A A . 12 CYS H 1 1
16 3306 1 1 12 CYS HA H -5.991 -1.482 -1.299 1.00 . A A . 12 CYS HA 1 1
16 3307 1 1 12 CYS HB2 H -3.347 -1.843 -2.711 1.00 . A A . 12 CYS HB2 1 1
16 3308 1 1 12 CYS HB3 H -4.367 -0.440 -3.036 1.00 . A A . 12 CYS HB3 1 1
16 3309 1 1 12 CYS N N -4.835 -3.262 -1.351 1.00 . A A . 12 CYS N 1 1
16 3310 1 1 12 CYS O O -5.819 -3.339 -3.933 1.00 . A A . 12 CYS O 1 1
16 3311 1 1 12 CYS SG S -3.506 -0.402 -0.799 1.00 . A A . 12 CYS SG 1 1
16 3312 1 1 13 THR C C -7.304 -1.052 -6.037 1.00 . A A . 13 THR C 1 1
16 3313 1 1 13 THR CA C -7.868 -1.863 -4.867 1.00 . A A . 13 THR CA 1 1
16 3314 1 1 13 THR CB C -9.301 -1.424 -4.561 1.00 . A A . 13 THR CB 1 1
16 3315 1 1 13 THR CG2 C -10.249 -2.605 -4.769 1.00 . A A . 13 THR CG2 1 1
16 3316 1 1 13 THR H H -7.316 -0.798 -3.074 1.00 . A A . 13 THR H 1 1
16 3317 1 1 13 THR HA H -7.846 -2.917 -5.092 1.00 . A A . 13 THR HA 1 1
16 3318 1 1 13 THR HB H -9.581 -0.622 -5.226 1.00 . A A . 13 THR HB 1 1
16 3319 1 1 13 THR HG1 H -10.267 -1.184 -2.892 1.00 . A A . 13 THR HG1 1 1
16 3320 1 1 13 THR HG21 H -9.674 -3.515 -4.866 1.00 . A A . 13 THR HG21 1 1
16 3321 1 1 13 THR HG22 H -10.913 -2.688 -3.921 1.00 . A A . 13 THR HG22 1 1
16 3322 1 1 13 THR HG23 H -10.829 -2.448 -5.667 1.00 . A A . 13 THR HG23 1 1
16 3323 1 1 13 THR N N -7.093 -1.578 -3.623 1.00 . A A . 13 THR N 1 1
16 3324 1 1 13 THR O O -6.884 0.075 -5.869 1.00 . A A . 13 THR O 1 1
16 3325 1 1 13 THR OG1 O -9.388 -0.977 -3.215 1.00 . A A . 13 THR OG1 1 1
16 3326 1 1 14 NH2 HN1 H -7.620 -2.497 -7.365 1.00 . A A . 14 NH2 HN1 1 1
16 3327 1 1 14 NH2 HN2 H -6.927 -1.068 -7.988 1.00 . A A . 14 NH2 HN2 1 1
16 3328 1 1 14 NH2 N N -7.281 -1.583 -7.228 1.00 . A A . 14 NH2 N 1 1
17 3329 1 1 1 ILE C C -3.878 5.771 0.257 1.00 . A A . 1 ILE C 1 1
17 3330 1 1 1 ILE CA C -4.955 6.704 -0.301 1.00 . A A . 1 ILE CA 1 1
17 3331 1 1 1 ILE CB C -5.619 7.502 0.825 1.00 . A A . 1 ILE CB 1 1
17 3332 1 1 1 ILE CD1 C -3.862 7.734 2.631 1.00 . A A . 1 ILE CD1 1 1
17 3333 1 1 1 ILE CG1 C -4.578 8.438 1.470 1.00 . A A . 1 ILE CG1 1 1
17 3334 1 1 1 ILE CG2 C -6.194 6.539 1.872 1.00 . A A . 1 ILE CG2 1 1
17 3335 1 1 1 ILE H1 H -5.661 5.200 -1.557 1.00 . A A . 1 ILE H1 1 1
17 3336 1 1 1 ILE H2 H -6.594 5.424 -0.155 1.00 . A A . 1 ILE H2 1 1
17 3337 1 1 1 ILE H3 H -6.696 6.537 -1.435 1.00 . A A . 1 ILE H3 1 1
17 3338 1 1 1 ILE HA H -4.533 7.378 -1.030 1.00 . A A . 1 ILE HA 1 1
17 3339 1 1 1 ILE HB H -6.424 8.095 0.412 1.00 . A A . 1 ILE HB 1 1
17 3340 1 1 1 ILE HD11 H -3.799 6.676 2.429 1.00 . A A . 1 ILE HD11 1 1
17 3341 1 1 1 ILE HD12 H -2.867 8.140 2.742 1.00 . A A . 1 ILE HD12 1 1
17 3342 1 1 1 ILE HD13 H -4.417 7.892 3.545 1.00 . A A . 1 ILE HD13 1 1
17 3343 1 1 1 ILE HG12 H -3.850 8.724 0.724 1.00 . A A . 1 ILE HG12 1 1
17 3344 1 1 1 ILE HG13 H -5.074 9.321 1.841 1.00 . A A . 1 ILE HG13 1 1
17 3345 1 1 1 ILE HG21 H -5.496 5.731 2.039 1.00 . A A . 1 ILE HG21 1 1
17 3346 1 1 1 ILE HG22 H -6.358 7.068 2.798 1.00 . A A . 1 ILE HG22 1 1
17 3347 1 1 1 ILE HG23 H -7.130 6.138 1.516 1.00 . A A . 1 ILE HG23 1 1
17 3348 1 1 1 ILE N N -6.060 5.906 -0.908 1.00 . A A . 1 ILE N 1 1
17 3349 1 1 1 ILE O O -2.818 6.202 0.663 1.00 . A A . 1 ILE O 1 1
17 3350 1 1 2 CYS C C -2.130 3.120 -0.246 1.00 . A A . 2 CYS C 1 1
17 3351 1 1 2 CYS CA C -3.148 3.525 0.825 1.00 . A A . 2 CYS CA 1 1
17 3352 1 1 2 CYS CB C -3.965 2.304 1.251 1.00 . A A . 2 CYS CB 1 1
17 3353 1 1 2 CYS H H -5.013 4.171 -0.047 1.00 . A A . 2 CYS H 1 1
17 3354 1 1 2 CYS HA H -2.645 3.945 1.681 1.00 . A A . 2 CYS HA 1 1
17 3355 1 1 2 CYS HB2 H -3.296 1.535 1.609 1.00 . A A . 2 CYS HB2 1 1
17 3356 1 1 2 CYS HB3 H -4.645 2.585 2.040 1.00 . A A . 2 CYS HB3 1 1
17 3357 1 1 2 CYS N N -4.148 4.493 0.283 1.00 . A A . 2 CYS N 1 1
17 3358 1 1 2 CYS O O -2.467 2.498 -1.234 1.00 . A A . 2 CYS O 1 1
17 3359 1 1 2 CYS SG S -4.906 1.679 -0.167 1.00 . A A . 2 CYS SG 1 1
17 3360 1 1 3 VAL C C 1.505 2.858 -0.367 1.00 . A A . 3 VAL C 1 1
17 3361 1 1 3 VAL CA C 0.155 3.079 -1.047 1.00 . A A . 3 VAL CA 1 1
17 3362 1 1 3 VAL CB C 0.222 4.257 -2.006 1.00 . A A . 3 VAL CB 1 1
17 3363 1 1 3 VAL CG1 C 1.484 4.146 -2.864 1.00 . A A . 3 VAL CG1 1 1
17 3364 1 1 3 VAL CG2 C -1.013 4.252 -2.912 1.00 . A A . 3 VAL CG2 1 1
17 3365 1 1 3 VAL H H -0.640 3.958 0.757 1.00 . A A . 3 VAL H 1 1
17 3366 1 1 3 VAL HA H -0.142 2.193 -1.565 1.00 . A A . 3 VAL HA 1 1
17 3367 1 1 3 VAL HB H 0.252 5.171 -1.435 1.00 . A A . 3 VAL HB 1 1
17 3368 1 1 3 VAL HG11 H 1.586 3.133 -3.226 1.00 . A A . 3 VAL HG11 1 1
17 3369 1 1 3 VAL HG12 H 1.410 4.822 -3.703 1.00 . A A . 3 VAL HG12 1 1
17 3370 1 1 3 VAL HG13 H 2.348 4.403 -2.268 1.00 . A A . 3 VAL HG13 1 1
17 3371 1 1 3 VAL HG21 H -1.323 3.234 -3.093 1.00 . A A . 3 VAL HG21 1 1
17 3372 1 1 3 VAL HG22 H -1.815 4.793 -2.430 1.00 . A A . 3 VAL HG22 1 1
17 3373 1 1 3 VAL HG23 H -0.772 4.726 -3.852 1.00 . A A . 3 VAL HG23 1 1
17 3374 1 1 3 VAL N N -0.887 3.459 -0.048 1.00 . A A . 3 VAL N 1 1
17 3375 1 1 3 VAL O O 2.527 2.713 -1.010 1.00 . A A . 3 VAL O 1 1
17 3376 1 1 4 VAL C C 3.449 1.308 1.198 1.00 . A A . 4 VAL C 1 1
17 3377 1 1 4 VAL CA C 2.791 2.606 1.664 1.00 . A A . 4 VAL CA 1 1
17 3378 1 1 4 VAL CB C 2.416 2.526 3.156 1.00 . A A . 4 VAL CB 1 1
17 3379 1 1 4 VAL CG1 C 1.092 1.781 3.332 1.00 . A A . 4 VAL CG1 1 1
17 3380 1 1 4 VAL CG2 C 3.512 1.785 3.936 1.00 . A A . 4 VAL CG2 1 1
17 3381 1 1 4 VAL H H 0.672 2.939 1.402 1.00 . A A . 4 VAL H 1 1
17 3382 1 1 4 VAL HA H 3.459 3.437 1.501 1.00 . A A . 4 VAL HA 1 1
17 3383 1 1 4 VAL HB H 2.320 3.526 3.548 1.00 . A A . 4 VAL HB 1 1
17 3384 1 1 4 VAL HG11 H 1.021 0.991 2.600 1.00 . A A . 4 VAL HG11 1 1
17 3385 1 1 4 VAL HG12 H 1.049 1.356 4.324 1.00 . A A . 4 VAL HG12 1 1
17 3386 1 1 4 VAL HG13 H 0.271 2.470 3.200 1.00 . A A . 4 VAL HG13 1 1
17 3387 1 1 4 VAL HG21 H 3.652 0.801 3.513 1.00 . A A . 4 VAL HG21 1 1
17 3388 1 1 4 VAL HG22 H 4.437 2.340 3.878 1.00 . A A . 4 VAL HG22 1 1
17 3389 1 1 4 VAL HG23 H 3.214 1.690 4.970 1.00 . A A . 4 VAL HG23 1 1
17 3390 1 1 4 VAL N N 1.510 2.824 0.925 1.00 . A A . 4 VAL N 1 1
17 3391 1 1 4 VAL O O 2.869 0.527 0.469 1.00 . A A . 4 VAL O 1 1
17 3392 1 1 5 GLN C C 5.252 -0.347 -0.309 1.00 . A A . 5 GLN C 1 1
17 3393 1 1 5 GLN CA C 5.376 -0.157 1.195 1.00 . A A . 5 GLN CA 1 1
17 3394 1 1 5 GLN CB C 4.688 -1.296 1.930 1.00 . A A . 5 GLN CB 1 1
17 3395 1 1 5 GLN CD C 4.495 -2.498 4.109 1.00 . A A . 5 GLN CD 1 1
17 3396 1 1 5 GLN CG C 5.219 -1.378 3.360 1.00 . A A . 5 GLN CG 1 1
17 3397 1 1 5 GLN H H 5.111 1.728 2.189 1.00 . A A . 5 GLN H 1 1
17 3398 1 1 5 GLN HA H 6.414 -0.106 1.485 1.00 . A A . 5 GLN HA 1 1
17 3399 1 1 5 GLN HB2 H 3.624 -1.122 1.945 1.00 . A A . 5 GLN HB2 1 1
17 3400 1 1 5 GLN HB3 H 4.899 -2.220 1.415 1.00 . A A . 5 GLN HB3 1 1
17 3401 1 1 5 GLN HE21 H 5.826 -2.555 5.583 1.00 . A A . 5 GLN HE21 1 1
17 3402 1 1 5 GLN HE22 H 4.534 -3.661 5.720 1.00 . A A . 5 GLN HE22 1 1
17 3403 1 1 5 GLN HG2 H 6.279 -1.586 3.339 1.00 . A A . 5 GLN HG2 1 1
17 3404 1 1 5 GLN HG3 H 5.044 -0.440 3.863 1.00 . A A . 5 GLN HG3 1 1
17 3405 1 1 5 GLN N N 4.663 1.079 1.610 1.00 . A A . 5 GLN N 1 1
17 3406 1 1 5 GLN NE2 N 4.992 -2.942 5.229 1.00 . A A . 5 GLN NE2 1 1
17 3407 1 1 5 GLN O O 4.264 -0.839 -0.814 1.00 . A A . 5 GLN O 1 1
17 3408 1 1 5 GLN OE1 O 3.466 -2.973 3.668 1.00 . A A . 5 GLN OE1 1 1
17 3409 1 1 6 ASP C C 6.474 -1.544 -2.907 1.00 . A A . 6 ASP C 1 1
17 3410 1 1 6 ASP CA C 6.244 -0.088 -2.498 1.00 . A A . 6 ASP CA 1 1
17 3411 1 1 6 ASP CB C 7.408 0.776 -2.961 1.00 . A A . 6 ASP CB 1 1
17 3412 1 1 6 ASP CG C 6.918 2.204 -3.202 1.00 . A A . 6 ASP CG 1 1
17 3413 1 1 6 ASP H H 7.028 0.438 -0.563 1.00 . A A . 6 ASP H 1 1
17 3414 1 1 6 ASP HA H 5.319 0.285 -2.907 1.00 . A A . 6 ASP HA 1 1
17 3415 1 1 6 ASP HB2 H 8.173 0.777 -2.196 1.00 . A A . 6 ASP HB2 1 1
17 3416 1 1 6 ASP HB3 H 7.814 0.372 -3.874 1.00 . A A . 6 ASP HB3 1 1
17 3417 1 1 6 ASP N N 6.256 0.046 -1.015 1.00 . A A . 6 ASP N 1 1
17 3418 1 1 6 ASP O O 6.109 -1.962 -3.989 1.00 . A A . 6 ASP O 1 1
17 3419 1 1 6 ASP OD1 O 5.907 2.356 -3.867 1.00 . A A . 6 ASP OD1 1 1
17 3420 1 1 6 ASP OD2 O 7.559 3.120 -2.713 1.00 . A A . 6 ASP OD2 1 1
17 3421 1 1 7 TRP C C 6.523 -4.659 -1.493 1.00 . A A . 7 TRP C 1 1
17 3422 1 1 7 TRP CA C 7.348 -3.741 -2.389 1.00 . A A . 7 TRP CA 1 1
17 3423 1 1 7 TRP CB C 8.839 -3.950 -2.118 1.00 . A A . 7 TRP CB 1 1
17 3424 1 1 7 TRP CD1 C 10.037 -2.169 -0.775 1.00 . A A . 7 TRP CD1 1 1
17 3425 1 1 7 TRP CD2 C 8.890 -3.593 0.531 1.00 . A A . 7 TRP CD2 1 1
17 3426 1 1 7 TRP CE2 C 9.509 -2.662 1.396 1.00 . A A . 7 TRP CE2 1 1
17 3427 1 1 7 TRP CE3 C 8.106 -4.604 1.103 1.00 . A A . 7 TRP CE3 1 1
17 3428 1 1 7 TRP CG C 9.243 -3.261 -0.845 1.00 . A A . 7 TRP CG 1 1
17 3429 1 1 7 TRP CH2 C 8.565 -3.743 3.334 1.00 . A A . 7 TRP CH2 1 1
17 3430 1 1 7 TRP CZ2 C 9.350 -2.729 2.781 1.00 . A A . 7 TRP CZ2 1 1
17 3431 1 1 7 TRP CZ3 C 7.942 -4.678 2.496 1.00 . A A . 7 TRP CZ3 1 1
17 3432 1 1 7 TRP H H 7.372 -1.951 -1.192 1.00 . A A . 7 TRP H 1 1
17 3433 1 1 7 TRP HA H 7.132 -3.931 -3.428 1.00 . A A . 7 TRP HA 1 1
17 3434 1 1 7 TRP HB2 H 9.034 -5.006 -2.028 1.00 . A A . 7 TRP HB2 1 1
17 3435 1 1 7 TRP HB3 H 9.409 -3.547 -2.939 1.00 . A A . 7 TRP HB3 1 1
17 3436 1 1 7 TRP HD1 H 10.478 -1.660 -1.617 1.00 . A A . 7 TRP HD1 1 1
17 3437 1 1 7 TRP HE1 H 10.729 -1.054 0.875 1.00 . A A . 7 TRP HE1 1 1
17 3438 1 1 7 TRP HE3 H 7.620 -5.324 0.465 1.00 . A A . 7 TRP HE3 1 1
17 3439 1 1 7 TRP HH2 H 8.436 -3.804 4.404 1.00 . A A . 7 TRP HH2 1 1
17 3440 1 1 7 TRP HZ2 H 9.833 -2.005 3.421 1.00 . A A . 7 TRP HZ2 1 1
17 3441 1 1 7 TRP HZ3 H 7.335 -5.462 2.925 1.00 . A A . 7 TRP HZ3 1 1
17 3442 1 1 7 TRP N N 7.083 -2.314 -2.053 1.00 . A A . 7 TRP N 1 1
17 3443 1 1 7 TRP NE1 N 10.198 -1.812 0.553 1.00 . A A . 7 TRP NE1 1 1
17 3444 1 1 7 TRP O O 6.367 -5.833 -1.761 1.00 . A A . 7 TRP O 1 1
17 3445 1 1 8 GLY C C 3.764 -4.465 0.538 1.00 . A A . 8 GLY C 1 1
17 3446 1 1 8 GLY CA C 5.203 -4.969 0.509 1.00 . A A . 8 GLY CA 1 1
17 3447 1 1 8 GLY H H 6.155 -3.188 -0.226 1.00 . A A . 8 GLY H 1 1
17 3448 1 1 8 GLY HA2 H 5.222 -5.995 0.173 1.00 . A A . 8 GLY HA2 1 1
17 3449 1 1 8 GLY HA3 H 5.624 -4.904 1.499 1.00 . A A . 8 GLY HA3 1 1
17 3450 1 1 8 GLY N N 6.005 -4.132 -0.423 1.00 . A A . 8 GLY N 1 1
17 3451 1 1 8 GLY O O 3.325 -3.858 1.494 1.00 . A A . 8 GLY O 1 1
17 3452 1 1 9 HIS C C 0.724 -5.199 0.267 1.00 . A A . 9 HIS C 1 1
17 3453 1 1 9 HIS CA C 1.612 -4.249 -0.540 1.00 . A A . 9 HIS CA 1 1
17 3454 1 1 9 HIS CB C 1.226 -4.279 -2.017 1.00 . A A . 9 HIS CB 1 1
17 3455 1 1 9 HIS CD2 C 3.325 -2.775 -2.503 1.00 . A A . 9 HIS CD2 1 1
17 3456 1 1 9 HIS CE1 C 2.742 -2.047 -4.459 1.00 . A A . 9 HIS CE1 1 1
17 3457 1 1 9 HIS CG C 2.104 -3.335 -2.789 1.00 . A A . 9 HIS CG 1 1
17 3458 1 1 9 HIS H H 3.401 -5.200 -1.266 1.00 . A A . 9 HIS H 1 1
17 3459 1 1 9 HIS HA H 1.535 -3.243 -0.159 1.00 . A A . 9 HIS HA 1 1
17 3460 1 1 9 HIS HB2 H 1.350 -5.282 -2.403 1.00 . A A . 9 HIS HB2 1 1
17 3461 1 1 9 HIS HB3 H 0.196 -3.977 -2.124 1.00 . A A . 9 HIS HB3 1 1
17 3462 1 1 9 HIS HD1 H 0.933 -3.071 -4.533 1.00 . A A . 9 HIS HD1 1 1
17 3463 1 1 9 HIS HD2 H 3.889 -2.943 -1.597 1.00 . A A . 9 HIS HD2 1 1
17 3464 1 1 9 HIS HE1 H 2.742 -1.528 -5.405 1.00 . A A . 9 HIS HE1 1 1
17 3465 1 1 9 HIS N N 3.025 -4.712 -0.504 1.00 . A A . 9 HIS N 1 1
17 3466 1 1 9 HIS ND1 N 1.752 -2.857 -4.041 1.00 . A A . 9 HIS ND1 1 1
17 3467 1 1 9 HIS NE2 N 3.725 -1.962 -3.559 1.00 . A A . 9 HIS NE2 1 1
17 3468 1 1 9 HIS O O 1.171 -6.218 0.757 1.00 . A A . 9 HIS O 1 1
17 3469 1 1 10 HIS C C -2.768 -5.943 0.428 1.00 . A A . 10 HIS C 1 1
17 3470 1 1 10 HIS CA C -1.448 -5.764 1.185 1.00 . A A . 10 HIS CA 1 1
17 3471 1 1 10 HIS CB C -1.687 -5.084 2.553 1.00 . A A . 10 HIS CB 1 1
17 3472 1 1 10 HIS CD2 C -1.483 -2.515 2.009 1.00 . A A . 10 HIS CD2 1 1
17 3473 1 1 10 HIS CE1 C 0.325 -2.097 3.129 1.00 . A A . 10 HIS CE1 1 1
17 3474 1 1 10 HIS CG C -1.093 -3.696 2.590 1.00 . A A . 10 HIS CG 1 1
17 3475 1 1 10 HIS H H -0.873 -4.050 0.006 1.00 . A A . 10 HIS H 1 1
17 3476 1 1 10 HIS HA H -0.983 -6.725 1.338 1.00 . A A . 10 HIS HA 1 1
17 3477 1 1 10 HIS HB2 H -2.748 -5.018 2.738 1.00 . A A . 10 HIS HB2 1 1
17 3478 1 1 10 HIS HB3 H -1.231 -5.683 3.329 1.00 . A A . 10 HIS HB3 1 1
17 3479 1 1 10 HIS HD1 H 0.592 -4.037 3.833 1.00 . A A . 10 HIS HD1 1 1
17 3480 1 1 10 HIS HD2 H -2.352 -2.388 1.383 1.00 . A A . 10 HIS HD2 1 1
17 3481 1 1 10 HIS HE1 H 1.172 -1.587 3.566 1.00 . A A . 10 HIS HE1 1 1
17 3482 1 1 10 HIS N N -0.531 -4.876 0.409 1.00 . A A . 10 HIS N 1 1
17 3483 1 1 10 HIS ND1 N 0.062 -3.405 3.301 1.00 . A A . 10 HIS ND1 1 1
17 3484 1 1 10 HIS NE2 N -0.585 -1.506 2.350 1.00 . A A . 10 HIS NE2 1 1
17 3485 1 1 10 HIS O O -2.935 -6.878 -0.329 1.00 . A A . 10 HIS O 1 1
17 3486 1 1 11 ARG C C -5.711 -3.826 -0.096 1.00 . A A . 11 ARG C 1 1
17 3487 1 1 11 ARG CA C -5.003 -5.188 -0.086 1.00 . A A . 11 ARG CA 1 1
17 3488 1 1 11 ARG CB C -5.761 -6.254 0.726 1.00 . A A . 11 ARG CB 1 1
17 3489 1 1 11 ARG CD C -8.022 -7.116 1.345 1.00 . A A . 11 ARG CD 1 1
17 3490 1 1 11 ARG CG C -7.235 -5.878 0.899 1.00 . A A . 11 ARG CG 1 1
17 3491 1 1 11 ARG CZ C -10.035 -7.185 0.000 1.00 . A A . 11 ARG CZ 1 1
17 3492 1 1 11 ARG H H -3.562 -4.314 1.235 1.00 . A A . 11 ARG H 1 1
17 3493 1 1 11 ARG HA H -4.846 -5.537 -1.095 1.00 . A A . 11 ARG HA 1 1
17 3494 1 1 11 ARG HB2 H -5.696 -7.201 0.213 1.00 . A A . 11 ARG HB2 1 1
17 3495 1 1 11 ARG HB3 H -5.303 -6.347 1.700 1.00 . A A . 11 ARG HB3 1 1
17 3496 1 1 11 ARG HD2 H -7.725 -7.978 0.760 1.00 . A A . 11 ARG HD2 1 1
17 3497 1 1 11 ARG HD3 H -7.865 -7.302 2.396 1.00 . A A . 11 ARG HD3 1 1
17 3498 1 1 11 ARG HE H -9.953 -6.253 1.750 1.00 . A A . 11 ARG HE 1 1
17 3499 1 1 11 ARG HG2 H -7.319 -5.106 1.648 1.00 . A A . 11 ARG HG2 1 1
17 3500 1 1 11 ARG HG3 H -7.628 -5.520 -0.041 1.00 . A A . 11 ARG HG3 1 1
17 3501 1 1 11 ARG HH11 H -9.557 -9.110 0.279 1.00 . A A . 11 ARG HH11 1 1
17 3502 1 1 11 ARG HH12 H -10.465 -8.761 -1.160 1.00 . A A . 11 ARG HH12 1 1
17 3503 1 1 11 ARG HH21 H -10.661 -5.356 -0.522 1.00 . A A . 11 ARG HH21 1 1
17 3504 1 1 11 ARG HH22 H -11.088 -6.632 -1.611 1.00 . A A . 11 ARG HH22 1 1
17 3505 1 1 11 ARG N N -3.705 -5.060 0.622 1.00 . A A . 11 ARG N 1 1
17 3506 1 1 11 ARG NE N -9.451 -6.779 1.093 1.00 . A A . 11 ARG NE 1 1
17 3507 1 1 11 ARG NH1 N -10.019 -8.451 -0.318 1.00 . A A . 11 ARG NH1 1 1
17 3508 1 1 11 ARG NH2 N -10.643 -6.325 -0.770 1.00 . A A . 11 ARG NH2 1 1
17 3509 1 1 11 ARG O O -6.392 -3.456 0.839 1.00 . A A . 11 ARG O 1 1
17 3510 1 1 12 CYS C C -7.465 -1.785 -2.058 1.00 . A A . 12 CYS C 1 1
17 3511 1 1 12 CYS CA C -6.186 -1.724 -1.211 1.00 . A A . 12 CYS CA 1 1
17 3512 1 1 12 CYS CB C -5.144 -0.814 -1.866 1.00 . A A . 12 CYS CB 1 1
17 3513 1 1 12 CYS H H -4.973 -3.376 -1.882 1.00 . A A . 12 CYS H 1 1
17 3514 1 1 12 CYS HA H -6.411 -1.368 -0.218 1.00 . A A . 12 CYS HA 1 1
17 3515 1 1 12 CYS HB2 H -4.550 -1.390 -2.562 1.00 . A A . 12 CYS HB2 1 1
17 3516 1 1 12 CYS HB3 H -5.648 -0.016 -2.394 1.00 . A A . 12 CYS HB3 1 1
17 3517 1 1 12 CYS N N -5.538 -3.068 -1.144 1.00 . A A . 12 CYS N 1 1
17 3518 1 1 12 CYS O O -8.528 -2.108 -1.566 1.00 . A A . 12 CYS O 1 1
17 3519 1 1 12 CYS SG S -4.066 -0.109 -0.592 1.00 . A A . 12 CYS SG 1 1
17 3520 1 1 13 THR C C -8.208 -1.939 -5.612 1.00 . A A . 13 THR C 1 1
17 3521 1 1 13 THR CA C -8.589 -1.515 -4.191 1.00 . A A . 13 THR CA 1 1
17 3522 1 1 13 THR CB C -9.132 -0.084 -4.188 1.00 . A A . 13 THR CB 1 1
17 3523 1 1 13 THR CG2 C -10.608 -0.099 -4.594 1.00 . A A . 13 THR CG2 1 1
17 3524 1 1 13 THR H H -6.508 -1.216 -3.706 1.00 . A A . 13 THR H 1 1
17 3525 1 1 13 THR HA H -9.324 -2.190 -3.781 1.00 . A A . 13 THR HA 1 1
17 3526 1 1 13 THR HB H -8.576 0.513 -4.895 1.00 . A A . 13 THR HB 1 1
17 3527 1 1 13 THR HG1 H -9.307 -0.178 -2.253 1.00 . A A . 13 THR HG1 1 1
17 3528 1 1 13 THR HG21 H -10.726 -0.677 -5.498 1.00 . A A . 13 THR HG21 1 1
17 3529 1 1 13 THR HG22 H -11.194 -0.542 -3.802 1.00 . A A . 13 THR HG22 1 1
17 3530 1 1 13 THR HG23 H -10.944 0.913 -4.767 1.00 . A A . 13 THR HG23 1 1
17 3531 1 1 13 THR N N -7.373 -1.475 -3.324 1.00 . A A . 13 THR N 1 1
17 3532 1 1 13 THR O O -8.580 -1.298 -6.575 1.00 . A A . 13 THR O 1 1
17 3533 1 1 13 THR OG1 O -9.000 0.473 -2.888 1.00 . A A . 13 THR OG1 1 1
17 3534 1 1 14 NH2 HN1 H -7.172 -3.524 -5.006 1.00 . A A . 14 NH2 HN1 1 1
17 3535 1 1 14 NH2 HN2 H -7.223 -3.285 -6.694 1.00 . A A . 14 NH2 HN2 1 1
17 3536 1 1 14 NH2 N N -7.474 -3.004 -5.784 1.00 . A A . 14 NH2 N 1 1
18 3537 1 1 1 ILE C C -3.671 5.388 0.020 1.00 . A A . 1 ILE C 1 1
18 3538 1 1 1 ILE CA C -4.856 6.150 -0.576 1.00 . A A . 1 ILE CA 1 1
18 3539 1 1 1 ILE CB C -5.809 6.610 0.531 1.00 . A A . 1 ILE CB 1 1
18 3540 1 1 1 ILE CD1 C -5.881 7.607 2.827 1.00 . A A . 1 ILE CD1 1 1
18 3541 1 1 1 ILE CG1 C -5.022 7.408 1.576 1.00 . A A . 1 ILE CG1 1 1
18 3542 1 1 1 ILE CG2 C -6.454 5.394 1.199 1.00 . A A . 1 ILE CG2 1 1
18 3543 1 1 1 ILE H1 H -6.001 4.436 -0.895 1.00 . A A . 1 ILE H1 1 1
18 3544 1 1 1 ILE H2 H -6.479 5.771 -1.828 1.00 . A A . 1 ILE H2 1 1
18 3545 1 1 1 ILE H3 H -5.076 4.909 -2.235 1.00 . A A . 1 ILE H3 1 1
18 3546 1 1 1 ILE HA H -4.510 6.999 -1.138 1.00 . A A . 1 ILE HA 1 1
18 3547 1 1 1 ILE HB H -6.580 7.236 0.103 1.00 . A A . 1 ILE HB 1 1
18 3548 1 1 1 ILE HD11 H -6.235 6.647 3.176 1.00 . A A . 1 ILE HD11 1 1
18 3549 1 1 1 ILE HD12 H -5.292 8.076 3.599 1.00 . A A . 1 ILE HD12 1 1
18 3550 1 1 1 ILE HD13 H -6.727 8.235 2.585 1.00 . A A . 1 ILE HD13 1 1
18 3551 1 1 1 ILE HG12 H -4.123 6.867 1.837 1.00 . A A . 1 ILE HG12 1 1
18 3552 1 1 1 ILE HG13 H -4.756 8.372 1.167 1.00 . A A . 1 ILE HG13 1 1
18 3553 1 1 1 ILE HG21 H -5.684 4.707 1.516 1.00 . A A . 1 ILE HG21 1 1
18 3554 1 1 1 ILE HG22 H -7.023 5.716 2.059 1.00 . A A . 1 ILE HG22 1 1
18 3555 1 1 1 ILE HG23 H -7.111 4.902 0.498 1.00 . A A . 1 ILE HG23 1 1
18 3556 1 1 1 ILE N N -5.665 5.248 -1.449 1.00 . A A . 1 ILE N 1 1
18 3557 1 1 1 ILE O O -2.591 5.924 0.174 1.00 . A A . 1 ILE O 1 1
18 3558 1 1 2 CYS C C -1.676 3.078 -0.110 1.00 . A A . 2 CYS C 1 1
18 3559 1 1 2 CYS CA C -2.743 3.353 0.947 1.00 . A A . 2 CYS CA 1 1
18 3560 1 1 2 CYS CB C -3.358 2.036 1.424 1.00 . A A . 2 CYS CB 1 1
18 3561 1 1 2 CYS H H -4.742 3.738 0.232 1.00 . A A . 2 CYS H 1 1
18 3562 1 1 2 CYS HA H -2.313 3.880 1.784 1.00 . A A . 2 CYS HA 1 1
18 3563 1 1 2 CYS HB2 H -2.566 1.351 1.681 1.00 . A A . 2 CYS HB2 1 1
18 3564 1 1 2 CYS HB3 H -3.969 2.220 2.294 1.00 . A A . 2 CYS HB3 1 1
18 3565 1 1 2 CYS N N -3.864 4.145 0.360 1.00 . A A . 2 CYS N 1 1
18 3566 1 1 2 CYS O O -1.864 2.281 -1.007 1.00 . A A . 2 CYS O 1 1
18 3567 1 1 2 CYS SG S -4.376 1.313 0.110 1.00 . A A . 2 CYS SG 1 1
18 3568 1 1 3 VAL C C 1.849 3.221 -0.277 1.00 . A A . 3 VAL C 1 1
18 3569 1 1 3 VAL CA C 0.534 3.497 -0.992 1.00 . A A . 3 VAL CA 1 1
18 3570 1 1 3 VAL CB C 0.626 4.789 -1.793 1.00 . A A . 3 VAL CB 1 1
18 3571 1 1 3 VAL CG1 C 1.911 4.782 -2.624 1.00 . A A . 3 VAL CG1 1 1
18 3572 1 1 3 VAL CG2 C -0.582 4.902 -2.723 1.00 . A A . 3 VAL CG2 1 1
18 3573 1 1 3 VAL H H -0.423 4.352 0.738 1.00 . A A . 3 VAL H 1 1
18 3574 1 1 3 VAL HA H 0.285 2.678 -1.629 1.00 . A A . 3 VAL HA 1 1
18 3575 1 1 3 VAL HB H 0.642 5.626 -1.110 1.00 . A A . 3 VAL HB 1 1
18 3576 1 1 3 VAL HG11 H 2.080 3.789 -3.015 1.00 . A A . 3 VAL HG11 1 1
18 3577 1 1 3 VAL HG12 H 1.816 5.480 -3.441 1.00 . A A . 3 VAL HG12 1 1
18 3578 1 1 3 VAL HG13 H 2.744 5.068 -1.999 1.00 . A A . 3 VAL HG13 1 1
18 3579 1 1 3 VAL HG21 H -1.040 3.931 -2.837 1.00 . A A . 3 VAL HG21 1 1
18 3580 1 1 3 VAL HG22 H -1.299 5.590 -2.300 1.00 . A A . 3 VAL HG22 1 1
18 3581 1 1 3 VAL HG23 H -0.261 5.265 -3.688 1.00 . A A . 3 VAL HG23 1 1
18 3582 1 1 3 VAL N N -0.554 3.725 -0.002 1.00 . A A . 3 VAL N 1 1
18 3583 1 1 3 VAL O O 2.902 3.152 -0.880 1.00 . A A . 3 VAL O 1 1
18 3584 1 1 4 VAL C C 3.671 1.487 1.283 1.00 . A A . 4 VAL C 1 1
18 3585 1 1 4 VAL CA C 3.033 2.780 1.779 1.00 . A A . 4 VAL CA 1 1
18 3586 1 1 4 VAL CB C 2.603 2.652 3.243 1.00 . A A . 4 VAL CB 1 1
18 3587 1 1 4 VAL CG1 C 1.296 1.863 3.344 1.00 . A A . 4 VAL CG1 1 1
18 3588 1 1 4 VAL CG2 C 3.688 1.924 4.041 1.00 . A A . 4 VAL CG2 1 1
18 3589 1 1 4 VAL H H 0.925 3.119 1.448 1.00 . A A . 4 VAL H 1 1
18 3590 1 1 4 VAL HA H 3.725 3.600 1.672 1.00 . A A . 4 VAL HA 1 1
18 3591 1 1 4 VAL HB H 2.465 3.636 3.653 1.00 . A A . 4 VAL HB 1 1
18 3592 1 1 4 VAL HG11 H 1.232 1.167 2.521 1.00 . A A . 4 VAL HG11 1 1
18 3593 1 1 4 VAL HG12 H 1.275 1.320 4.277 1.00 . A A . 4 VAL HG12 1 1
18 3594 1 1 4 VAL HG13 H 0.461 2.544 3.304 1.00 . A A . 4 VAL HG13 1 1
18 3595 1 1 4 VAL HG21 H 4.650 2.365 3.826 1.00 . A A . 4 VAL HG21 1 1
18 3596 1 1 4 VAL HG22 H 3.479 2.016 5.096 1.00 . A A . 4 VAL HG22 1 1
18 3597 1 1 4 VAL HG23 H 3.699 0.880 3.765 1.00 . A A . 4 VAL HG23 1 1
18 3598 1 1 4 VAL N N 1.788 3.059 1.003 1.00 . A A . 4 VAL N 1 1
18 3599 1 1 4 VAL O O 3.062 0.708 0.577 1.00 . A A . 4 VAL O 1 1
18 3600 1 1 5 GLN C C 5.352 -0.168 -0.317 1.00 . A A . 5 GLN C 1 1
18 3601 1 1 5 GLN CA C 5.600 0.034 1.174 1.00 . A A . 5 GLN CA 1 1
18 3602 1 1 5 GLN CB C 4.998 -1.118 1.963 1.00 . A A . 5 GLN CB 1 1
18 3603 1 1 5 GLN CD C 4.099 -1.483 4.261 1.00 . A A . 5 GLN CD 1 1
18 3604 1 1 5 GLN CG C 5.278 -0.935 3.455 1.00 . A A . 5 GLN CG 1 1
18 3605 1 1 5 GLN H H 5.372 1.918 2.192 1.00 . A A . 5 GLN H 1 1
18 3606 1 1 5 GLN HA H 6.658 0.106 1.373 1.00 . A A . 5 GLN HA 1 1
18 3607 1 1 5 GLN HB2 H 3.933 -1.149 1.794 1.00 . A A . 5 GLN HB2 1 1
18 3608 1 1 5 GLN HB3 H 5.444 -2.040 1.625 1.00 . A A . 5 GLN HB3 1 1
18 3609 1 1 5 GLN HE21 H 5.214 -1.962 5.834 1.00 . A A . 5 GLN HE21 1 1
18 3610 1 1 5 GLN HE22 H 3.552 -2.313 5.982 1.00 . A A . 5 GLN HE22 1 1
18 3611 1 1 5 GLN HG2 H 6.178 -1.471 3.721 1.00 . A A . 5 GLN HG2 1 1
18 3612 1 1 5 GLN HG3 H 5.404 0.114 3.674 1.00 . A A . 5 GLN HG3 1 1
18 3613 1 1 5 GLN N N 4.901 1.265 1.636 1.00 . A A . 5 GLN N 1 1
18 3614 1 1 5 GLN NE2 N 4.305 -1.958 5.458 1.00 . A A . 5 GLN NE2 1 1
18 3615 1 1 5 GLN O O 4.358 -0.732 -0.729 1.00 . A A . 5 GLN O 1 1
18 3616 1 1 5 GLN OE1 O 2.977 -1.478 3.795 1.00 . A A . 5 GLN OE1 1 1
18 3617 1 1 6 ASP C C 5.944 -1.345 -2.949 1.00 . A A . 6 ASP C 1 1
18 3618 1 1 6 ASP CA C 6.102 0.132 -2.594 1.00 . A A . 6 ASP CA 1 1
18 3619 1 1 6 ASP CB C 7.401 0.675 -3.181 1.00 . A A . 6 ASP CB 1 1
18 3620 1 1 6 ASP CG C 7.084 1.668 -4.301 1.00 . A A . 6 ASP CG 1 1
18 3621 1 1 6 ASP H H 7.043 0.731 -0.748 1.00 . A A . 6 ASP H 1 1
18 3622 1 1 6 ASP HA H 5.262 0.705 -2.954 1.00 . A A . 6 ASP HA 1 1
18 3623 1 1 6 ASP HB2 H 7.964 1.171 -2.405 1.00 . A A . 6 ASP HB2 1 1
18 3624 1 1 6 ASP HB3 H 7.981 -0.145 -3.581 1.00 . A A . 6 ASP HB3 1 1
18 3625 1 1 6 ASP N N 6.256 0.286 -1.119 1.00 . A A . 6 ASP N 1 1
18 3626 1 1 6 ASP O O 5.445 -1.701 -3.999 1.00 . A A . 6 ASP O 1 1
18 3627 1 1 6 ASP OD1 O 6.902 2.836 -3.996 1.00 . A A . 6 ASP OD1 1 1
18 3628 1 1 6 ASP OD2 O 7.028 1.245 -5.443 1.00 . A A . 6 ASP OD2 1 1
18 3629 1 1 7 TRP C C 5.376 -4.318 -1.292 1.00 . A A . 7 TRP C 1 1
18 3630 1 1 7 TRP CA C 6.280 -3.666 -2.334 1.00 . A A . 7 TRP CA 1 1
18 3631 1 1 7 TRP CB C 7.712 -4.191 -2.200 1.00 . A A . 7 TRP CB 1 1
18 3632 1 1 7 TRP CD1 C 9.402 -2.619 -1.163 1.00 . A A . 7 TRP CD1 1 1
18 3633 1 1 7 TRP CD2 C 8.157 -3.679 0.380 1.00 . A A . 7 TRP CD2 1 1
18 3634 1 1 7 TRP CE2 C 9.051 -2.842 1.088 1.00 . A A . 7 TRP CE2 1 1
18 3635 1 1 7 TRP CE3 C 7.258 -4.462 1.117 1.00 . A A . 7 TRP CE3 1 1
18 3636 1 1 7 TRP CG C 8.402 -3.522 -1.049 1.00 . A A . 7 TRP CG 1 1
18 3637 1 1 7 TRP CH2 C 8.145 -3.570 3.203 1.00 . A A . 7 TRP CH2 1 1
18 3638 1 1 7 TRP CZ2 C 9.048 -2.782 2.483 1.00 . A A . 7 TRP CZ2 1 1
18 3639 1 1 7 TRP CZ3 C 7.251 -4.408 2.521 1.00 . A A . 7 TRP CZ3 1 1
18 3640 1 1 7 TRP H H 6.784 -1.885 -1.242 1.00 . A A . 7 TRP H 1 1
18 3641 1 1 7 TRP HA H 5.908 -3.849 -3.330 1.00 . A A . 7 TRP HA 1 1
18 3642 1 1 7 TRP HB2 H 7.685 -5.256 -2.030 1.00 . A A . 7 TRP HB2 1 1
18 3643 1 1 7 TRP HB3 H 8.253 -3.986 -3.110 1.00 . A A . 7 TRP HB3 1 1
18 3644 1 1 7 TRP HD1 H 9.829 -2.273 -2.089 1.00 . A A . 7 TRP HD1 1 1
18 3645 1 1 7 TRP HE1 H 10.497 -1.563 0.297 1.00 . A A . 7 TRP HE1 1 1
18 3646 1 1 7 TRP HE3 H 6.566 -5.106 0.600 1.00 . A A . 7 TRP HE3 1 1
18 3647 1 1 7 TRP HH2 H 8.135 -3.531 4.282 1.00 . A A . 7 TRP HH2 1 1
18 3648 1 1 7 TRP HZ2 H 9.741 -2.134 3.003 1.00 . A A . 7 TRP HZ2 1 1
18 3649 1 1 7 TRP HZ3 H 6.553 -5.015 3.079 1.00 . A A . 7 TRP HZ3 1 1
18 3650 1 1 7 TRP N N 6.380 -2.204 -2.075 1.00 . A A . 7 TRP N 1 1
18 3651 1 1 7 TRP NE1 N 9.789 -2.214 0.104 1.00 . A A . 7 TRP NE1 1 1
18 3652 1 1 7 TRP O O 4.917 -5.431 -1.456 1.00 . A A . 7 TRP O 1 1
18 3653 1 1 8 GLY C C 2.792 -4.081 0.447 1.00 . A A . 8 GLY C 1 1
18 3654 1 1 8 GLY CA C 4.263 -4.203 0.852 1.00 . A A . 8 GLY CA 1 1
18 3655 1 1 8 GLY H H 5.518 -2.740 -0.105 1.00 . A A . 8 GLY H 1 1
18 3656 1 1 8 GLY HA2 H 4.513 -5.246 0.993 1.00 . A A . 8 GLY HA2 1 1
18 3657 1 1 8 GLY HA3 H 4.427 -3.665 1.772 1.00 . A A . 8 GLY HA3 1 1
18 3658 1 1 8 GLY N N 5.128 -3.632 -0.215 1.00 . A A . 8 GLY N 1 1
18 3659 1 1 8 GLY O O 1.976 -3.566 1.186 1.00 . A A . 8 GLY O 1 1
18 3660 1 1 9 HIS C C 0.246 -5.672 -0.639 1.00 . A A . 9 HIS C 1 1
18 3661 1 1 9 HIS CA C 1.028 -4.468 -1.170 1.00 . A A . 9 HIS CA 1 1
18 3662 1 1 9 HIS CB C 1.098 -4.498 -2.696 1.00 . A A . 9 HIS CB 1 1
18 3663 1 1 9 HIS CD2 C 1.947 -2.012 -2.625 1.00 . A A . 9 HIS CD2 1 1
18 3664 1 1 9 HIS CE1 C 1.388 -1.432 -4.636 1.00 . A A . 9 HIS CE1 1 1
18 3665 1 1 9 HIS CG C 1.367 -3.110 -3.210 1.00 . A A . 9 HIS CG 1 1
18 3666 1 1 9 HIS H H 3.120 -4.967 -1.298 1.00 . A A . 9 HIS H 1 1
18 3667 1 1 9 HIS HA H 0.579 -3.546 -0.836 1.00 . A A . 9 HIS HA 1 1
18 3668 1 1 9 HIS HB2 H 1.895 -5.160 -3.007 1.00 . A A . 9 HIS HB2 1 1
18 3669 1 1 9 HIS HB3 H 0.157 -4.851 -3.094 1.00 . A A . 9 HIS HB3 1 1
18 3670 1 1 9 HIS HD1 H 0.584 -3.275 -5.171 1.00 . A A . 9 HIS HD1 1 1
18 3671 1 1 9 HIS HD2 H 2.335 -1.975 -1.617 1.00 . A A . 9 HIS HD2 1 1
18 3672 1 1 9 HIS HE1 H 1.237 -0.855 -5.537 1.00 . A A . 9 HIS HE1 1 1
18 3673 1 1 9 HIS N N 2.447 -4.553 -0.719 1.00 . A A . 9 HIS N 1 1
18 3674 1 1 9 HIS ND1 N 1.018 -2.717 -4.492 1.00 . A A . 9 HIS ND1 1 1
18 3675 1 1 9 HIS NE2 N 1.959 -0.953 -3.527 1.00 . A A . 9 HIS NE2 1 1
18 3676 1 1 9 HIS O O 0.407 -6.782 -1.106 1.00 . A A . 9 HIS O 1 1
18 3677 1 1 10 HIS C C -2.847 -6.504 0.558 1.00 . A A . 10 HIS C 1 1
18 3678 1 1 10 HIS CA C -1.362 -6.609 0.910 1.00 . A A . 10 HIS CA 1 1
18 3679 1 1 10 HIS CB C -1.164 -6.507 2.422 1.00 . A A . 10 HIS CB 1 1
18 3680 1 1 10 HIS CD2 C 1.255 -7.212 3.162 1.00 . A A . 10 HIS CD2 1 1
18 3681 1 1 10 HIS CE1 C 0.909 -9.339 3.378 1.00 . A A . 10 HIS CE1 1 1
18 3682 1 1 10 HIS CG C -0.061 -7.436 2.847 1.00 . A A . 10 HIS CG 1 1
18 3683 1 1 10 HIS H H -0.699 -4.566 0.716 1.00 . A A . 10 HIS H 1 1
18 3684 1 1 10 HIS HA H -0.961 -7.538 0.554 1.00 . A A . 10 HIS HA 1 1
18 3685 1 1 10 HIS HB2 H -0.903 -5.493 2.685 1.00 . A A . 10 HIS HB2 1 1
18 3686 1 1 10 HIS HB3 H -2.079 -6.785 2.923 1.00 . A A . 10 HIS HB3 1 1
18 3687 1 1 10 HIS HD1 H -1.098 -9.282 2.836 1.00 . A A . 10 HIS HD1 1 1
18 3688 1 1 10 HIS HD2 H 1.743 -6.249 3.151 1.00 . A A . 10 HIS HD2 1 1
18 3689 1 1 10 HIS HE1 H 1.056 -10.393 3.569 1.00 . A A . 10 HIS HE1 1 1
18 3690 1 1 10 HIS N N -0.589 -5.466 0.343 1.00 . A A . 10 HIS N 1 1
18 3691 1 1 10 HIS ND1 N -0.259 -8.799 2.991 1.00 . A A . 10 HIS ND1 1 1
18 3692 1 1 10 HIS NE2 N 1.868 -8.417 3.499 1.00 . A A . 10 HIS NE2 1 1
18 3693 1 1 10 HIS O O -3.467 -7.472 0.164 1.00 . A A . 10 HIS O 1 1
18 3694 1 1 11 ARG C C -5.255 -3.728 0.313 1.00 . A A . 11 ARG C 1 1
18 3695 1 1 11 ARG CA C -4.874 -5.215 0.401 1.00 . A A . 11 ARG CA 1 1
18 3696 1 1 11 ARG CB C -5.569 -5.938 1.569 1.00 . A A . 11 ARG CB 1 1
18 3697 1 1 11 ARG CD C -7.575 -6.015 3.059 1.00 . A A . 11 ARG CD 1 1
18 3698 1 1 11 ARG CG C -6.820 -5.183 2.019 1.00 . A A . 11 ARG CG 1 1
18 3699 1 1 11 ARG CZ C -6.226 -4.832 4.699 1.00 . A A . 11 ARG CZ 1 1
18 3700 1 1 11 ARG H H -2.933 -4.583 1.040 1.00 . A A . 11 ARG H 1 1
18 3701 1 1 11 ARG HA H -5.103 -5.715 -0.527 1.00 . A A . 11 ARG HA 1 1
18 3702 1 1 11 ARG HB2 H -5.849 -6.933 1.253 1.00 . A A . 11 ARG HB2 1 1
18 3703 1 1 11 ARG HB3 H -4.880 -6.012 2.399 1.00 . A A . 11 ARG HB3 1 1
18 3704 1 1 11 ARG HD2 H -8.621 -6.084 2.797 1.00 . A A . 11 ARG HD2 1 1
18 3705 1 1 11 ARG HD3 H -7.141 -6.999 3.139 1.00 . A A . 11 ARG HD3 1 1
18 3706 1 1 11 ARG HE H -8.179 -5.123 4.927 1.00 . A A . 11 ARG HE 1 1
18 3707 1 1 11 ARG HG2 H -6.527 -4.245 2.460 1.00 . A A . 11 ARG HG2 1 1
18 3708 1 1 11 ARG HG3 H -7.458 -5.001 1.169 1.00 . A A . 11 ARG HG3 1 1
18 3709 1 1 11 ARG HH11 H -5.372 -6.645 4.695 1.00 . A A . 11 ARG HH11 1 1
18 3710 1 1 11 ARG HH12 H -4.328 -5.322 5.118 1.00 . A A . 11 ARG HH12 1 1
18 3711 1 1 11 ARG HH21 H -6.800 -2.914 4.763 1.00 . A A . 11 ARG HH21 1 1
18 3712 1 1 11 ARG HH22 H -5.141 -3.214 5.159 1.00 . A A . 11 ARG HH22 1 1
18 3713 1 1 11 ARG N N -3.433 -5.350 0.712 1.00 . A A . 11 ARG N 1 1
18 3714 1 1 11 ARG NE N -7.405 -5.276 4.346 1.00 . A A . 11 ARG NE 1 1
18 3715 1 1 11 ARG NH1 N -5.232 -5.665 4.850 1.00 . A A . 11 ARG NH1 1 1
18 3716 1 1 11 ARG NH2 N -6.041 -3.553 4.890 1.00 . A A . 11 ARG NH2 1 1
18 3717 1 1 11 ARG O O -5.447 -3.053 1.304 1.00 . A A . 11 ARG O 1 1
18 3718 1 1 12 CYS C C -6.961 -1.676 -1.975 1.00 . A A . 12 CYS C 1 1
18 3719 1 1 12 CYS CA C -5.743 -1.786 -1.050 1.00 . A A . 12 CYS CA 1 1
18 3720 1 1 12 CYS CB C -4.518 -1.115 -1.669 1.00 . A A . 12 CYS CB 1 1
18 3721 1 1 12 CYS H H -5.200 -3.776 -1.659 1.00 . A A . 12 CYS H 1 1
18 3722 1 1 12 CYS HA H -5.962 -1.340 -0.092 1.00 . A A . 12 CYS HA 1 1
18 3723 1 1 12 CYS HB2 H -3.955 -1.845 -2.235 1.00 . A A . 12 CYS HB2 1 1
18 3724 1 1 12 CYS HB3 H -4.837 -0.318 -2.323 1.00 . A A . 12 CYS HB3 1 1
18 3725 1 1 12 CYS N N -5.365 -3.217 -0.877 1.00 . A A . 12 CYS N 1 1
18 3726 1 1 12 CYS O O -8.088 -1.804 -1.542 1.00 . A A . 12 CYS O 1 1
18 3727 1 1 12 CYS SG S -3.477 -0.439 -0.351 1.00 . A A . 12 CYS SG 1 1
18 3728 1 1 13 THR C C -7.633 -2.165 -5.442 1.00 . A A . 13 THR C 1 1
18 3729 1 1 13 THR CA C -7.904 -1.339 -4.181 1.00 . A A . 13 THR CA 1 1
18 3730 1 1 13 THR CB C -8.006 0.148 -4.524 1.00 . A A . 13 THR CB 1 1
18 3731 1 1 13 THR CG2 C -6.616 0.695 -4.846 1.00 . A A . 13 THR CG2 1 1
18 3732 1 1 13 THR H H -5.833 -1.350 -3.578 1.00 . A A . 13 THR H 1 1
18 3733 1 1 13 THR HA H -8.810 -1.670 -3.701 1.00 . A A . 13 THR HA 1 1
18 3734 1 1 13 THR HB H -8.416 0.685 -3.683 1.00 . A A . 13 THR HB 1 1
18 3735 1 1 13 THR HG1 H -8.853 1.243 -5.892 1.00 . A A . 13 THR HG1 1 1
18 3736 1 1 13 THR HG21 H -5.963 0.538 -4.000 1.00 . A A . 13 THR HG21 1 1
18 3737 1 1 13 THR HG22 H -6.218 0.180 -5.708 1.00 . A A . 13 THR HG22 1 1
18 3738 1 1 13 THR HG23 H -6.685 1.751 -5.058 1.00 . A A . 13 THR HG23 1 1
18 3739 1 1 13 THR N N -6.749 -1.446 -3.242 1.00 . A A . 13 THR N 1 1
18 3740 1 1 13 THR O O -6.521 -2.591 -5.680 1.00 . A A . 13 THR O 1 1
18 3741 1 1 13 THR OG1 O -8.856 0.313 -5.652 1.00 . A A . 13 THR OG1 1 1
18 3742 1 1 14 NH2 HN1 H -9.514 -2.068 -6.075 1.00 . A A . 14 NH2 HN1 1 1
18 3743 1 1 14 NH2 HN2 H -8.447 -2.944 -7.078 1.00 . A A . 14 NH2 HN2 1 1
18 3744 1 1 14 NH2 N N -8.613 -2.413 -6.266 1.00 . A A . 14 NH2 N 1 1
19 3745 1 1 1 ILE C C -4.396 5.571 0.749 1.00 . A A . 1 ILE C 1 1
19 3746 1 1 1 ILE CA C -5.590 6.258 0.076 1.00 . A A . 1 ILE CA 1 1
19 3747 1 1 1 ILE CB C -6.580 6.839 1.103 1.00 . A A . 1 ILE CB 1 1
19 3748 1 1 1 ILE CD1 C -7.192 8.876 2.410 1.00 . A A . 1 ILE CD1 1 1
19 3749 1 1 1 ILE CG1 C -6.330 8.340 1.265 1.00 . A A . 1 ILE CG1 1 1
19 3750 1 1 1 ILE CG2 C -6.424 6.154 2.467 1.00 . A A . 1 ILE CG2 1 1
19 3751 1 1 1 ILE H1 H -6.623 4.455 -0.064 1.00 . A A . 1 ILE H1 1 1
19 3752 1 1 1 ILE H2 H -7.261 5.696 -1.034 1.00 . A A . 1 ILE H2 1 1
19 3753 1 1 1 ILE H3 H -5.829 4.912 -1.497 1.00 . A A . 1 ILE H3 1 1
19 3754 1 1 1 ILE HA H -5.246 7.040 -0.584 1.00 . A A . 1 ILE HA 1 1
19 3755 1 1 1 ILE HB H -7.588 6.685 0.747 1.00 . A A . 1 ILE HB 1 1
19 3756 1 1 1 ILE HD11 H -7.924 8.131 2.685 1.00 . A A . 1 ILE HD11 1 1
19 3757 1 1 1 ILE HD12 H -6.565 9.095 3.262 1.00 . A A . 1 ILE HD12 1 1
19 3758 1 1 1 ILE HD13 H -7.697 9.776 2.093 1.00 . A A . 1 ILE HD13 1 1
19 3759 1 1 1 ILE HG12 H -5.286 8.511 1.487 1.00 . A A . 1 ILE HG12 1 1
19 3760 1 1 1 ILE HG13 H -6.592 8.850 0.349 1.00 . A A . 1 ILE HG13 1 1
19 3761 1 1 1 ILE HG21 H -6.328 5.088 2.328 1.00 . A A . 1 ILE HG21 1 1
19 3762 1 1 1 ILE HG22 H -5.539 6.533 2.963 1.00 . A A . 1 ILE HG22 1 1
19 3763 1 1 1 ILE HG23 H -7.294 6.361 3.076 1.00 . A A . 1 ILE HG23 1 1
19 3764 1 1 1 ILE N N -6.387 5.255 -0.687 1.00 . A A . 1 ILE N 1 1
19 3765 1 1 1 ILE O O -3.757 6.123 1.622 1.00 . A A . 1 ILE O 1 1
19 3766 1 1 2 CYS C C -2.021 3.094 -0.132 1.00 . A A . 2 CYS C 1 1
19 3767 1 1 2 CYS CA C -2.944 3.643 0.958 1.00 . A A . 2 CYS CA 1 1
19 3768 1 1 2 CYS CB C -3.566 2.496 1.761 1.00 . A A . 2 CYS CB 1 1
19 3769 1 1 2 CYS H H -4.621 3.938 -0.359 1.00 . A A . 2 CYS H 1 1
19 3770 1 1 2 CYS HA H -2.399 4.296 1.618 1.00 . A A . 2 CYS HA 1 1
19 3771 1 1 2 CYS HB2 H -2.803 1.767 1.991 1.00 . A A . 2 CYS HB2 1 1
19 3772 1 1 2 CYS HB3 H -3.979 2.887 2.679 1.00 . A A . 2 CYS HB3 1 1
19 3773 1 1 2 CYS N N -4.093 4.367 0.346 1.00 . A A . 2 CYS N 1 1
19 3774 1 1 2 CYS O O -2.388 2.217 -0.889 1.00 . A A . 2 CYS O 1 1
19 3775 1 1 2 CYS SG S -4.882 1.707 0.795 1.00 . A A . 2 CYS SG 1 1
19 3776 1 1 3 VAL C C 1.501 2.893 -0.621 1.00 . A A . 3 VAL C 1 1
19 3777 1 1 3 VAL CA C 0.130 3.112 -1.246 1.00 . A A . 3 VAL CA 1 1
19 3778 1 1 3 VAL CB C 0.182 4.221 -2.290 1.00 . A A . 3 VAL CB 1 1
19 3779 1 1 3 VAL CG1 C 1.416 4.038 -3.180 1.00 . A A . 3 VAL CG1 1 1
19 3780 1 1 3 VAL CG2 C -1.080 4.168 -3.157 1.00 . A A . 3 VAL CG2 1 1
19 3781 1 1 3 VAL H H -0.551 4.307 0.413 1.00 . A A . 3 VAL H 1 1
19 3782 1 1 3 VAL HA H -0.230 2.204 -1.678 1.00 . A A . 3 VAL HA 1 1
19 3783 1 1 3 VAL HB H 0.238 5.173 -1.785 1.00 . A A . 3 VAL HB 1 1
19 3784 1 1 3 VAL HG11 H 1.529 2.993 -3.426 1.00 . A A . 3 VAL HG11 1 1
19 3785 1 1 3 VAL HG12 H 1.295 4.610 -4.087 1.00 . A A . 3 VAL HG12 1 1
19 3786 1 1 3 VAL HG13 H 2.296 4.379 -2.655 1.00 . A A . 3 VAL HG13 1 1
19 3787 1 1 3 VAL HG21 H -1.578 3.222 -3.009 1.00 . A A . 3 VAL HG21 1 1
19 3788 1 1 3 VAL HG22 H -1.744 4.973 -2.878 1.00 . A A . 3 VAL HG22 1 1
19 3789 1 1 3 VAL HG23 H -0.807 4.272 -4.197 1.00 . A A . 3 VAL HG23 1 1
19 3790 1 1 3 VAL N N -0.826 3.604 -0.212 1.00 . A A . 3 VAL N 1 1
19 3791 1 1 3 VAL O O 2.488 2.678 -1.297 1.00 . A A . 3 VAL O 1 1
19 3792 1 1 4 VAL C C 3.434 1.379 0.988 1.00 . A A . 4 VAL C 1 1
19 3793 1 1 4 VAL CA C 2.855 2.735 1.370 1.00 . A A . 4 VAL CA 1 1
19 3794 1 1 4 VAL CB C 2.519 2.792 2.860 1.00 . A A . 4 VAL CB 1 1
19 3795 1 1 4 VAL CG1 C 1.300 1.916 3.142 1.00 . A A . 4 VAL CG1 1 1
19 3796 1 1 4 VAL CG2 C 3.708 2.293 3.689 1.00 . A A . 4 VAL CG2 1 1
19 3797 1 1 4 VAL H H 0.743 3.112 1.173 1.00 . A A . 4 VAL H 1 1
19 3798 1 1 4 VAL HA H 3.546 3.524 1.118 1.00 . A A . 4 VAL HA 1 1
19 3799 1 1 4 VAL HB H 2.303 3.810 3.128 1.00 . A A . 4 VAL HB 1 1
19 3800 1 1 4 VAL HG11 H 1.289 1.081 2.455 1.00 . A A . 4 VAL HG11 1 1
19 3801 1 1 4 VAL HG12 H 1.351 1.548 4.156 1.00 . A A . 4 VAL HG12 1 1
19 3802 1 1 4 VAL HG13 H 0.399 2.499 3.014 1.00 . A A . 4 VAL HG13 1 1
19 3803 1 1 4 VAL HG21 H 4.580 2.892 3.472 1.00 . A A . 4 VAL HG21 1 1
19 3804 1 1 4 VAL HG22 H 3.470 2.377 4.740 1.00 . A A . 4 VAL HG22 1 1
19 3805 1 1 4 VAL HG23 H 3.908 1.262 3.449 1.00 . A A . 4 VAL HG23 1 1
19 3806 1 1 4 VAL N N 1.558 2.942 0.668 1.00 . A A . 4 VAL N 1 1
19 3807 1 1 4 VAL O O 2.805 0.593 0.307 1.00 . A A . 4 VAL O 1 1
19 3808 1 1 5 GLN C C 5.172 -0.383 -0.472 1.00 . A A . 5 GLN C 1 1
19 3809 1 1 5 GLN CA C 5.256 -0.199 1.038 1.00 . A A . 5 GLN CA 1 1
19 3810 1 1 5 GLN CB C 4.436 -1.276 1.730 1.00 . A A . 5 GLN CB 1 1
19 3811 1 1 5 GLN CD C 3.727 -2.135 3.973 1.00 . A A . 5 GLN CD 1 1
19 3812 1 1 5 GLN CG C 4.793 -1.332 3.217 1.00 . A A . 5 GLN CG 1 1
19 3813 1 1 5 GLN H H 5.125 1.761 1.938 1.00 . A A . 5 GLN H 1 1
19 3814 1 1 5 GLN HA H 6.281 -0.236 1.371 1.00 . A A . 5 GLN HA 1 1
19 3815 1 1 5 GLN HB2 H 3.388 -1.058 1.610 1.00 . A A . 5 GLN HB2 1 1
19 3816 1 1 5 GLN HB3 H 4.661 -2.225 1.271 1.00 . A A . 5 GLN HB3 1 1
19 3817 1 1 5 GLN HE21 H 2.830 -0.519 4.717 1.00 . A A . 5 GLN HE21 1 1
19 3818 1 1 5 GLN HE22 H 2.139 -2.013 5.167 1.00 . A A . 5 GLN HE22 1 1
19 3819 1 1 5 GLN HG2 H 5.754 -1.811 3.337 1.00 . A A . 5 GLN HG2 1 1
19 3820 1 1 5 GLN HG3 H 4.837 -0.332 3.616 1.00 . A A . 5 GLN HG3 1 1
19 3821 1 1 5 GLN N N 4.631 1.104 1.402 1.00 . A A . 5 GLN N 1 1
19 3822 1 1 5 GLN NE2 N 2.823 -1.504 4.675 1.00 . A A . 5 GLN NE2 1 1
19 3823 1 1 5 GLN O O 4.190 -0.861 -1.003 1.00 . A A . 5 GLN O 1 1
19 3824 1 1 5 GLN OE1 O 3.718 -3.350 3.924 1.00 . A A . 5 GLN OE1 1 1
19 3825 1 1 6 ASP C C 6.370 -1.582 -3.051 1.00 . A A . 6 ASP C 1 1
19 3826 1 1 6 ASP CA C 6.207 -0.117 -2.637 1.00 . A A . 6 ASP CA 1 1
19 3827 1 1 6 ASP CB C 7.426 0.694 -3.064 1.00 . A A . 6 ASP CB 1 1
19 3828 1 1 6 ASP CG C 7.254 2.149 -2.623 1.00 . A A . 6 ASP CG 1 1
19 3829 1 1 6 ASP H H 6.958 0.388 -0.690 1.00 . A A . 6 ASP H 1 1
19 3830 1 1 6 ASP HA H 5.312 0.305 -3.062 1.00 . A A . 6 ASP HA 1 1
19 3831 1 1 6 ASP HB2 H 8.307 0.279 -2.596 1.00 . A A . 6 ASP HB2 1 1
19 3832 1 1 6 ASP HB3 H 7.531 0.650 -4.135 1.00 . A A . 6 ASP HB3 1 1
19 3833 1 1 6 ASP N N 6.194 0.005 -1.155 1.00 . A A . 6 ASP N 1 1
19 3834 1 1 6 ASP O O 6.032 -1.970 -4.151 1.00 . A A . 6 ASP O 1 1
19 3835 1 1 6 ASP OD1 O 7.221 2.385 -1.425 1.00 . A A . 6 ASP OD1 1 1
19 3836 1 1 6 ASP OD2 O 7.160 3.004 -3.488 1.00 . A A . 6 ASP OD2 1 1
19 3837 1 1 7 TRP C C 6.311 -4.724 -1.569 1.00 . A A . 7 TRP C 1 1
19 3838 1 1 7 TRP CA C 7.117 -3.829 -2.507 1.00 . A A . 7 TRP CA 1 1
19 3839 1 1 7 TRP CB C 8.612 -4.066 -2.274 1.00 . A A . 7 TRP CB 1 1
19 3840 1 1 7 TRP CD1 C 9.858 -2.276 -0.989 1.00 . A A . 7 TRP CD1 1 1
19 3841 1 1 7 TRP CD2 C 8.715 -3.660 0.363 1.00 . A A . 7 TRP CD2 1 1
19 3842 1 1 7 TRP CE2 C 9.347 -2.711 1.198 1.00 . A A . 7 TRP CE2 1 1
19 3843 1 1 7 TRP CE3 C 7.931 -4.654 0.969 1.00 . A A . 7 TRP CE3 1 1
19 3844 1 1 7 TRP CG C 9.051 -3.359 -1.024 1.00 . A A . 7 TRP CG 1 1
19 3845 1 1 7 TRP CH2 C 8.418 -3.744 3.173 1.00 . A A . 7 TRP CH2 1 1
19 3846 1 1 7 TRP CZ2 C 9.203 -2.746 2.587 1.00 . A A . 7 TRP CZ2 1 1
19 3847 1 1 7 TRP CZ3 C 7.783 -4.696 2.364 1.00 . A A . 7 TRP CZ3 1 1
19 3848 1 1 7 TRP H H 7.176 -2.044 -1.305 1.00 . A A . 7 TRP H 1 1
19 3849 1 1 7 TRP HA H 6.866 -4.027 -3.538 1.00 . A A . 7 TRP HA 1 1
19 3850 1 1 7 TRP HB2 H 8.790 -5.125 -2.165 1.00 . A A . 7 TRP HB2 1 1
19 3851 1 1 7 TRP HB3 H 9.171 -3.690 -3.115 1.00 . A A . 7 TRP HB3 1 1
19 3852 1 1 7 TRP HD1 H 10.293 -1.794 -1.848 1.00 . A A . 7 TRP HD1 1 1
19 3853 1 1 7 TRP HE1 H 10.566 -1.123 0.626 1.00 . A A . 7 TRP HE1 1 1
19 3854 1 1 7 TRP HE3 H 7.438 -5.390 0.355 1.00 . A A . 7 TRP HE3 1 1
19 3855 1 1 7 TRP HH2 H 8.300 -3.780 4.246 1.00 . A A . 7 TRP HH2 1 1
19 3856 1 1 7 TRP HZ2 H 9.694 -2.008 3.205 1.00 . A A . 7 TRP HZ2 1 1
19 3857 1 1 7 TRP HZ3 H 7.177 -5.467 2.816 1.00 . A A . 7 TRP HZ3 1 1
19 3858 1 1 7 TRP N N 6.902 -2.388 -2.179 1.00 . A A . 7 TRP N 1 1
19 3859 1 1 7 TRP NE1 N 10.030 -1.886 0.328 1.00 . A A . 7 TRP NE1 1 1
19 3860 1 1 7 TRP O O 6.170 -5.910 -1.795 1.00 . A A . 7 TRP O 1 1
19 3861 1 1 8 GLY C C 3.642 -4.443 0.647 1.00 . A A . 8 GLY C 1 1
19 3862 1 1 8 GLY CA C 5.051 -5.001 0.474 1.00 . A A . 8 GLY CA 1 1
19 3863 1 1 8 GLY H H 5.964 -3.225 -0.328 1.00 . A A . 8 GLY H 1 1
19 3864 1 1 8 GLY HA2 H 4.996 -6.018 0.115 1.00 . A A . 8 GLY HA2 1 1
19 3865 1 1 8 GLY HA3 H 5.559 -4.984 1.426 1.00 . A A . 8 GLY HA3 1 1
19 3866 1 1 8 GLY N N 5.814 -4.174 -0.501 1.00 . A A . 8 GLY N 1 1
19 3867 1 1 8 GLY O O 3.313 -3.864 1.663 1.00 . A A . 8 GLY O 1 1
19 3868 1 1 9 HIS C C 0.540 -5.117 0.534 1.00 . A A . 9 HIS C 1 1
19 3869 1 1 9 HIS CA C 1.410 -4.106 -0.216 1.00 . A A . 9 HIS CA 1 1
19 3870 1 1 9 HIS CB C 0.928 -3.946 -1.656 1.00 . A A . 9 HIS CB 1 1
19 3871 1 1 9 HIS CD2 C 2.740 -2.328 -2.669 1.00 . A A . 9 HIS CD2 1 1
19 3872 1 1 9 HIS CE1 C 1.492 -0.574 -2.920 1.00 . A A . 9 HIS CE1 1 1
19 3873 1 1 9 HIS CG C 1.484 -2.668 -2.227 1.00 . A A . 9 HIS CG 1 1
19 3874 1 1 9 HIS H H 3.084 -5.095 -1.138 1.00 . A A . 9 HIS H 1 1
19 3875 1 1 9 HIS HA H 1.398 -3.152 0.285 1.00 . A A . 9 HIS HA 1 1
19 3876 1 1 9 HIS HB2 H 1.273 -4.787 -2.244 1.00 . A A . 9 HIS HB2 1 1
19 3877 1 1 9 HIS HB3 H -0.152 -3.911 -1.672 1.00 . A A . 9 HIS HB3 1 1
19 3878 1 1 9 HIS HD1 H -0.248 -1.445 -2.174 1.00 . A A . 9 HIS HD1 1 1
19 3879 1 1 9 HIS HD2 H 3.596 -2.986 -2.677 1.00 . A A . 9 HIS HD2 1 1
19 3880 1 1 9 HIS HE1 H 1.153 0.422 -3.162 1.00 . A A . 9 HIS HE1 1 1
19 3881 1 1 9 HIS N N 2.802 -4.620 -0.330 1.00 . A A . 9 HIS N 1 1
19 3882 1 1 9 HIS ND1 N 0.704 -1.533 -2.397 1.00 . A A . 9 HIS ND1 1 1
19 3883 1 1 9 HIS NE2 N 2.742 -1.006 -3.105 1.00 . A A . 9 HIS NE2 1 1
19 3884 1 1 9 HIS O O 1.025 -6.106 1.049 1.00 . A A . 9 HIS O 1 1
19 3885 1 1 10 HIS C C -2.949 -5.988 0.544 1.00 . A A . 10 HIS C 1 1
19 3886 1 1 10 HIS CA C -1.638 -5.823 1.314 1.00 . A A . 10 HIS CA 1 1
19 3887 1 1 10 HIS CB C -1.884 -5.174 2.675 1.00 . A A . 10 HIS CB 1 1
19 3888 1 1 10 HIS CD2 C -0.620 -5.627 4.931 1.00 . A A . 10 HIS CD2 1 1
19 3889 1 1 10 HIS CE1 C -0.442 -7.780 4.767 1.00 . A A . 10 HIS CE1 1 1
19 3890 1 1 10 HIS CG C -1.210 -5.985 3.746 1.00 . A A . 10 HIS CG 1 1
19 3891 1 1 10 HIS H H -1.108 -4.075 0.174 1.00 . A A . 10 HIS H 1 1
19 3892 1 1 10 HIS HA H -1.157 -6.777 1.442 1.00 . A A . 10 HIS HA 1 1
19 3893 1 1 10 HIS HB2 H -1.479 -4.173 2.676 1.00 . A A . 10 HIS HB2 1 1
19 3894 1 1 10 HIS HB3 H -2.946 -5.132 2.869 1.00 . A A . 10 HIS HB3 1 1
19 3895 1 1 10 HIS HD1 H -1.404 -7.930 2.928 1.00 . A A . 10 HIS HD1 1 1
19 3896 1 1 10 HIS HD2 H -0.543 -4.618 5.306 1.00 . A A . 10 HIS HD2 1 1
19 3897 1 1 10 HIS HE1 H -0.200 -8.812 4.974 1.00 . A A . 10 HIS HE1 1 1
19 3898 1 1 10 HIS N N -0.738 -4.878 0.598 1.00 . A A . 10 HIS N 1 1
19 3899 1 1 10 HIS ND1 N -1.085 -7.363 3.661 1.00 . A A . 10 HIS ND1 1 1
19 3900 1 1 10 HIS NE2 N -0.136 -6.761 5.575 1.00 . A A . 10 HIS NE2 1 1
19 3901 1 1 10 HIS O O -3.142 -6.947 -0.176 1.00 . A A . 10 HIS O 1 1
19 3902 1 1 11 ARG C C -5.846 -3.798 -0.068 1.00 . A A . 11 ARG C 1 1
19 3903 1 1 11 ARG CA C -5.146 -5.159 -0.042 1.00 . A A . 11 ARG CA 1 1
19 3904 1 1 11 ARG CB C -5.970 -6.177 0.748 1.00 . A A . 11 ARG CB 1 1
19 3905 1 1 11 ARG CD C -6.757 -6.836 3.030 1.00 . A A . 11 ARG CD 1 1
19 3906 1 1 11 ARG CG C -5.856 -5.880 2.245 1.00 . A A . 11 ARG CG 1 1
19 3907 1 1 11 ARG CZ C -5.263 -8.189 4.379 1.00 . A A . 11 ARG CZ 1 1
19 3908 1 1 11 ARG H H -3.671 -4.291 1.268 1.00 . A A . 11 ARG H 1 1
19 3909 1 1 11 ARG HA H -4.985 -5.516 -1.047 1.00 . A A . 11 ARG HA 1 1
19 3910 1 1 11 ARG HB2 H -7.005 -6.112 0.446 1.00 . A A . 11 ARG HB2 1 1
19 3911 1 1 11 ARG HB3 H -5.598 -7.171 0.550 1.00 . A A . 11 ARG HB3 1 1
19 3912 1 1 11 ARG HD2 H -7.704 -6.364 3.248 1.00 . A A . 11 ARG HD2 1 1
19 3913 1 1 11 ARG HD3 H -6.910 -7.750 2.476 1.00 . A A . 11 ARG HD3 1 1
19 3914 1 1 11 ARG HE H -6.086 -6.511 5.051 1.00 . A A . 11 ARG HE 1 1
19 3915 1 1 11 ARG HG2 H -4.830 -6.011 2.560 1.00 . A A . 11 ARG HG2 1 1
19 3916 1 1 11 ARG HG3 H -6.161 -4.863 2.434 1.00 . A A . 11 ARG HG3 1 1
19 3917 1 1 11 ARG HH11 H -4.530 -8.023 2.523 1.00 . A A . 11 ARG HH11 1 1
19 3918 1 1 11 ARG HH12 H -3.954 -9.376 3.439 1.00 . A A . 11 ARG HH12 1 1
19 3919 1 1 11 ARG HH21 H -5.812 -8.604 6.263 1.00 . A A . 11 ARG HH21 1 1
19 3920 1 1 11 ARG HH22 H -4.670 -9.704 5.550 1.00 . A A . 11 ARG HH22 1 1
19 3921 1 1 11 ARG N N -3.849 -5.058 0.687 1.00 . A A . 11 ARG N 1 1
19 3922 1 1 11 ARG NE N -6.012 -7.123 4.289 1.00 . A A . 11 ARG NE 1 1
19 3923 1 1 11 ARG NH1 N -4.524 -8.558 3.368 1.00 . A A . 11 ARG NH1 1 1
19 3924 1 1 11 ARG NH2 N -5.248 -8.887 5.483 1.00 . A A . 11 ARG NH2 1 1
19 3925 1 1 11 ARG O O -6.787 -3.559 0.664 1.00 . A A . 11 ARG O 1 1
19 3926 1 1 12 CYS C C -7.010 -1.518 -2.180 1.00 . A A . 12 CYS C 1 1
19 3927 1 1 12 CYS CA C -6.045 -1.565 -0.992 1.00 . A A . 12 CYS CA 1 1
19 3928 1 1 12 CYS CB C -4.895 -0.575 -1.197 1.00 . A A . 12 CYS CB 1 1
19 3929 1 1 12 CYS H H -4.644 -3.123 -1.496 1.00 . A A . 12 CYS H 1 1
19 3930 1 1 12 CYS HA H -6.564 -1.340 -0.075 1.00 . A A . 12 CYS HA 1 1
19 3931 1 1 12 CYS HB2 H -4.137 -1.025 -1.823 1.00 . A A . 12 CYS HB2 1 1
19 3932 1 1 12 CYS HB3 H -5.272 0.322 -1.672 1.00 . A A . 12 CYS HB3 1 1
19 3933 1 1 12 CYS N N -5.400 -2.907 -0.912 1.00 . A A . 12 CYS N 1 1
19 3934 1 1 12 CYS O O -8.198 -1.725 -2.037 1.00 . A A . 12 CYS O 1 1
19 3935 1 1 12 CYS SG S -4.178 -0.148 0.410 1.00 . A A . 12 CYS SG 1 1
19 3936 1 1 13 THR C C -6.884 -2.119 -5.644 1.00 . A A . 13 THR C 1 1
19 3937 1 1 13 THR CA C -7.397 -1.183 -4.547 1.00 . A A . 13 THR CA 1 1
19 3938 1 1 13 THR CB C -7.337 0.271 -5.010 1.00 . A A . 13 THR CB 1 1
19 3939 1 1 13 THR CG2 C -8.229 0.454 -6.238 1.00 . A A . 13 THR CG2 1 1
19 3940 1 1 13 THR H H -5.546 -1.080 -3.444 1.00 . A A . 13 THR H 1 1
19 3941 1 1 13 THR HA H -8.408 -1.441 -4.277 1.00 . A A . 13 THR HA 1 1
19 3942 1 1 13 THR HB H -6.320 0.526 -5.268 1.00 . A A . 13 THR HB 1 1
19 3943 1 1 13 THR HG1 H -7.584 2.023 -4.198 1.00 . A A . 13 THR HG1 1 1
19 3944 1 1 13 THR HG21 H -8.322 -0.489 -6.757 1.00 . A A . 13 THR HG21 1 1
19 3945 1 1 13 THR HG22 H -9.206 0.794 -5.929 1.00 . A A . 13 THR HG22 1 1
19 3946 1 1 13 THR HG23 H -7.785 1.186 -6.900 1.00 . A A . 13 THR HG23 1 1
19 3947 1 1 13 THR N N -6.507 -1.244 -3.351 1.00 . A A . 13 THR N 1 1
19 3948 1 1 13 THR O O -6.558 -1.686 -6.732 1.00 . A A . 13 THR O 1 1
19 3949 1 1 13 THR OG1 O -7.788 1.116 -3.960 1.00 . A A . 13 THR OG1 1 1
19 3950 1 1 14 NH2 HN1 H -7.069 -3.747 -4.523 1.00 . A A . 14 NH2 HN1 1 1
19 3951 1 1 14 NH2 HN2 H -6.488 -4.011 -6.105 1.00 . A A . 14 NH2 HN2 1 1
19 3952 1 1 14 NH2 N N -6.805 -3.398 -5.404 1.00 . A A . 14 NH2 N 1 1
20 3953 1 1 1 ILE C C -4.251 4.631 -0.168 1.00 . A A . 1 ILE C 1 1
20 3954 1 1 1 ILE CA C -5.445 4.955 -1.072 1.00 . A A . 1 ILE CA 1 1
20 3955 1 1 1 ILE CB C -6.601 5.580 -0.278 1.00 . A A . 1 ILE CB 1 1
20 3956 1 1 1 ILE CD1 C -7.437 7.683 0.781 1.00 . A A . 1 ILE CD1 1 1
20 3957 1 1 1 ILE CG1 C -6.377 7.090 -0.150 1.00 . A A . 1 ILE CG1 1 1
20 3958 1 1 1 ILE CG2 C -6.681 4.959 1.119 1.00 . A A . 1 ILE CG2 1 1
20 3959 1 1 1 ILE H1 H -6.035 2.965 -0.910 1.00 . A A . 1 ILE H1 1 1
20 3960 1 1 1 ILE H2 H -6.974 3.877 -1.988 1.00 . A A . 1 ILE H2 1 1
20 3961 1 1 1 ILE H3 H -5.410 3.381 -2.433 1.00 . A A . 1 ILE H3 1 1
20 3962 1 1 1 ILE HA H -5.143 5.623 -1.864 1.00 . A A . 1 ILE HA 1 1
20 3963 1 1 1 ILE HB H -7.529 5.401 -0.801 1.00 . A A . 1 ILE HB 1 1
20 3964 1 1 1 ILE HD11 H -8.210 6.951 0.960 1.00 . A A . 1 ILE HD11 1 1
20 3965 1 1 1 ILE HD12 H -6.978 7.958 1.721 1.00 . A A . 1 ILE HD12 1 1
20 3966 1 1 1 ILE HD13 H -7.869 8.560 0.323 1.00 . A A . 1 ILE HD13 1 1
20 3967 1 1 1 ILE HG12 H -5.394 7.275 0.257 1.00 . A A . 1 ILE HG12 1 1
20 3968 1 1 1 ILE HG13 H -6.458 7.550 -1.124 1.00 . A A . 1 ILE HG13 1 1
20 3969 1 1 1 ILE HG21 H -6.253 3.967 1.100 1.00 . A A . 1 ILE HG21 1 1
20 3970 1 1 1 ILE HG22 H -6.134 5.573 1.819 1.00 . A A . 1 ILE HG22 1 1
20 3971 1 1 1 ILE HG23 H -7.715 4.898 1.426 1.00 . A A . 1 ILE HG23 1 1
20 3972 1 1 1 ILE N N -6.010 3.700 -1.644 1.00 . A A . 1 ILE N 1 1
20 3973 1 1 1 ILE O O -3.841 5.432 0.648 1.00 . A A . 1 ILE O 1 1
20 3974 1 1 2 CYS C C -1.327 2.725 -0.365 1.00 . A A . 2 CYS C 1 1
20 3975 1 1 2 CYS CA C -2.516 3.083 0.532 1.00 . A A . 2 CYS CA 1 1
20 3976 1 1 2 CYS CB C -2.925 1.856 1.379 1.00 . A A . 2 CYS CB 1 1
20 3977 1 1 2 CYS H H -4.033 2.831 -0.980 1.00 . A A . 2 CYS H 1 1
20 3978 1 1 2 CYS HA H -2.251 3.903 1.182 1.00 . A A . 2 CYS HA 1 1
20 3979 1 1 2 CYS HB2 H -2.252 1.042 1.162 1.00 . A A . 2 CYS HB2 1 1
20 3980 1 1 2 CYS HB3 H -2.840 2.112 2.426 1.00 . A A . 2 CYS HB3 1 1
20 3981 1 1 2 CYS N N -3.688 3.461 -0.314 1.00 . A A . 2 CYS N 1 1
20 3982 1 1 2 CYS O O -1.331 1.720 -1.050 1.00 . A A . 2 CYS O 1 1
20 3983 1 1 2 CYS SG S -4.626 1.322 1.030 1.00 . A A . 2 CYS SG 1 1
20 3984 1 1 3 VAL C C 2.107 3.004 -0.331 1.00 . A A . 3 VAL C 1 1
20 3985 1 1 3 VAL CA C 0.886 3.250 -1.209 1.00 . A A . 3 VAL CA 1 1
20 3986 1 1 3 VAL CB C 1.075 4.500 -2.063 1.00 . A A . 3 VAL CB 1 1
20 3987 1 1 3 VAL CG1 C 2.508 4.555 -2.604 1.00 . A A . 3 VAL CG1 1 1
20 3988 1 1 3 VAL CG2 C 0.091 4.467 -3.234 1.00 . A A . 3 VAL CG2 1 1
20 3989 1 1 3 VAL H H -0.329 4.340 0.200 1.00 . A A . 3 VAL H 1 1
20 3990 1 1 3 VAL HA H 0.702 2.398 -1.825 1.00 . A A . 3 VAL HA 1 1
20 3991 1 1 3 VAL HB H 0.885 5.372 -1.455 1.00 . A A . 3 VAL HB 1 1
20 3992 1 1 3 VAL HG11 H 2.765 3.603 -3.040 1.00 . A A . 3 VAL HG11 1 1
20 3993 1 1 3 VAL HG12 H 2.581 5.327 -3.356 1.00 . A A . 3 VAL HG12 1 1
20 3994 1 1 3 VAL HG13 H 3.189 4.777 -1.794 1.00 . A A . 3 VAL HG13 1 1
20 3995 1 1 3 VAL HG21 H -0.378 3.495 -3.284 1.00 . A A . 3 VAL HG21 1 1
20 3996 1 1 3 VAL HG22 H -0.666 5.224 -3.091 1.00 . A A . 3 VAL HG22 1 1
20 3997 1 1 3 VAL HG23 H 0.622 4.658 -4.156 1.00 . A A . 3 VAL HG23 1 1
20 3998 1 1 3 VAL N N -0.309 3.540 -0.361 1.00 . A A . 3 VAL N 1 1
20 3999 1 1 3 VAL O O 3.223 2.893 -0.800 1.00 . A A . 3 VAL O 1 1
20 4000 1 1 4 VAL C C 3.793 1.417 1.433 1.00 . A A . 4 VAL C 1 1
20 4001 1 1 4 VAL CA C 3.044 2.677 1.858 1.00 . A A . 4 VAL CA 1 1
20 4002 1 1 4 VAL CB C 2.462 2.520 3.274 1.00 . A A . 4 VAL CB 1 1
20 4003 1 1 4 VAL CG1 C 1.067 1.893 3.226 1.00 . A A . 4 VAL CG1 1 1
20 4004 1 1 4 VAL CG2 C 3.377 1.629 4.120 1.00 . A A . 4 VAL CG2 1 1
20 4005 1 1 4 VAL H H 0.989 3.013 1.271 1.00 . A A . 4 VAL H 1 1
20 4006 1 1 4 VAL HA H 3.713 3.521 1.833 1.00 . A A . 4 VAL HA 1 1
20 4007 1 1 4 VAL HB H 2.405 3.492 3.731 1.00 . A A . 4 VAL HB 1 1
20 4008 1 1 4 VAL HG11 H 0.977 1.285 2.337 1.00 . A A . 4 VAL HG11 1 1
20 4009 1 1 4 VAL HG12 H 0.919 1.278 4.100 1.00 . A A . 4 VAL HG12 1 1
20 4010 1 1 4 VAL HG13 H 0.322 2.676 3.204 1.00 . A A . 4 VAL HG13 1 1
20 4011 1 1 4 VAL HG21 H 4.399 1.778 3.812 1.00 . A A . 4 VAL HG21 1 1
20 4012 1 1 4 VAL HG22 H 3.273 1.889 5.162 1.00 . A A . 4 VAL HG22 1 1
20 4013 1 1 4 VAL HG23 H 3.105 0.592 3.977 1.00 . A A . 4 VAL HG23 1 1
20 4014 1 1 4 VAL N N 1.897 2.918 0.936 1.00 . A A . 4 VAL N 1 1
20 4015 1 1 4 VAL O O 3.228 0.505 0.865 1.00 . A A . 4 VAL O 1 1
20 4016 1 1 5 GLN C C 5.461 -0.318 -0.038 1.00 . A A . 5 GLN C 1 1
20 4017 1 1 5 GLN CA C 5.879 0.189 1.339 1.00 . A A . 5 GLN CA 1 1
20 4018 1 1 5 GLN CB C 5.590 -0.858 2.402 1.00 . A A . 5 GLN CB 1 1
20 4019 1 1 5 GLN CD C 6.369 0.671 4.233 1.00 . A A . 5 GLN CD 1 1
20 4020 1 1 5 GLN CG C 6.566 -0.694 3.574 1.00 . A A . 5 GLN CG 1 1
20 4021 1 1 5 GLN H H 5.477 2.132 2.174 1.00 . A A . 5 GLN H 1 1
20 4022 1 1 5 GLN HA H 6.929 0.438 1.346 1.00 . A A . 5 GLN HA 1 1
20 4023 1 1 5 GLN HB2 H 4.575 -0.742 2.751 1.00 . A A . 5 GLN HB2 1 1
20 4024 1 1 5 GLN HB3 H 5.714 -1.835 1.967 1.00 . A A . 5 GLN HB3 1 1
20 4025 1 1 5 GLN HE21 H 7.538 1.616 2.935 1.00 . A A . 5 GLN HE21 1 1
20 4026 1 1 5 GLN HE22 H 6.845 2.597 4.145 1.00 . A A . 5 GLN HE22 1 1
20 4027 1 1 5 GLN HG2 H 6.389 -1.472 4.302 1.00 . A A . 5 GLN HG2 1 1
20 4028 1 1 5 GLN HG3 H 7.578 -0.768 3.210 1.00 . A A . 5 GLN HG3 1 1
20 4029 1 1 5 GLN N N 5.061 1.375 1.714 1.00 . A A . 5 GLN N 1 1
20 4030 1 1 5 GLN NE2 N 6.968 1.714 3.730 1.00 . A A . 5 GLN NE2 1 1
20 4031 1 1 5 GLN O O 4.539 -1.095 -0.187 1.00 . A A . 5 GLN O 1 1
20 4032 1 1 5 GLN OE1 O 5.667 0.789 5.218 1.00 . A A . 5 GLN OE1 1 1
20 4033 1 1 6 ASP C C 5.986 -1.786 -2.610 1.00 . A A . 6 ASP C 1 1
20 4034 1 1 6 ASP CA C 5.823 -0.273 -2.438 1.00 . A A . 6 ASP CA 1 1
20 4035 1 1 6 ASP CB C 6.843 0.473 -3.295 1.00 . A A . 6 ASP CB 1 1
20 4036 1 1 6 ASP CG C 6.229 1.776 -3.809 1.00 . A A . 6 ASP CG 1 1
20 4037 1 1 6 ASP H H 6.866 0.762 -0.861 1.00 . A A . 6 ASP H 1 1
20 4038 1 1 6 ASP HA H 4.827 0.030 -2.705 1.00 . A A . 6 ASP HA 1 1
20 4039 1 1 6 ASP HB2 H 7.716 0.696 -2.696 1.00 . A A . 6 ASP HB2 1 1
20 4040 1 1 6 ASP HB3 H 7.130 -0.145 -4.131 1.00 . A A . 6 ASP HB3 1 1
20 4041 1 1 6 ASP N N 6.141 0.137 -1.036 1.00 . A A . 6 ASP N 1 1
20 4042 1 1 6 ASP O O 5.163 -2.446 -3.212 1.00 . A A . 6 ASP O 1 1
20 4043 1 1 6 ASP OD1 O 6.052 2.681 -3.010 1.00 . A A . 6 ASP OD1 1 1
20 4044 1 1 6 ASP OD2 O 5.946 1.848 -4.994 1.00 . A A . 6 ASP OD2 1 1
20 4045 1 1 7 TRP C C 6.419 -4.553 -1.186 1.00 . A A . 7 TRP C 1 1
20 4046 1 1 7 TRP CA C 7.266 -3.806 -2.211 1.00 . A A . 7 TRP CA 1 1
20 4047 1 1 7 TRP CB C 8.757 -4.031 -1.932 1.00 . A A . 7 TRP CB 1 1
20 4048 1 1 7 TRP CD1 C 10.050 -2.142 -0.864 1.00 . A A . 7 TRP CD1 1 1
20 4049 1 1 7 TRP CD2 C 8.855 -3.314 0.635 1.00 . A A . 7 TRP CD2 1 1
20 4050 1 1 7 TRP CE2 C 9.526 -2.297 1.355 1.00 . A A . 7 TRP CE2 1 1
20 4051 1 1 7 TRP CE3 C 8.026 -4.196 1.351 1.00 . A A . 7 TRP CE3 1 1
20 4052 1 1 7 TRP CG C 9.206 -3.195 -0.774 1.00 . A A . 7 TRP CG 1 1
20 4053 1 1 7 TRP CH2 C 8.554 -3.048 3.431 1.00 . A A . 7 TRP CH2 1 1
20 4054 1 1 7 TRP CZ2 C 9.383 -2.164 2.735 1.00 . A A . 7 TRP CZ2 1 1
20 4055 1 1 7 TRP CZ3 C 7.877 -4.062 2.741 1.00 . A A . 7 TRP CZ3 1 1
20 4056 1 1 7 TRP H H 7.683 -1.773 -1.605 1.00 . A A . 7 TRP H 1 1
20 4057 1 1 7 TRP HA H 7.025 -4.139 -3.209 1.00 . A A . 7 TRP HA 1 1
20 4058 1 1 7 TRP HB2 H 8.922 -5.073 -1.701 1.00 . A A . 7 TRP HB2 1 1
20 4059 1 1 7 TRP HB3 H 9.329 -3.765 -2.807 1.00 . A A . 7 TRP HB3 1 1
20 4060 1 1 7 TRP HD1 H 10.499 -1.779 -1.773 1.00 . A A . 7 TRP HD1 1 1
20 4061 1 1 7 TRP HE1 H 10.814 -0.841 0.606 1.00 . A A . 7 TRP HE1 1 1
20 4062 1 1 7 TRP HE3 H 7.501 -4.978 0.828 1.00 . A A . 7 TRP HE3 1 1
20 4063 1 1 7 TRP HH2 H 8.436 -2.950 4.499 1.00 . A A . 7 TRP HH2 1 1
20 4064 1 1 7 TRP HZ2 H 9.907 -1.380 3.263 1.00 . A A . 7 TRP HZ2 1 1
20 4065 1 1 7 TRP HZ3 H 7.237 -4.744 3.280 1.00 . A A . 7 TRP HZ3 1 1
20 4066 1 1 7 TRP N N 7.041 -2.333 -2.085 1.00 . A A . 7 TRP N 1 1
20 4067 1 1 7 TRP NE1 N 10.244 -1.611 0.397 1.00 . A A . 7 TRP NE1 1 1
20 4068 1 1 7 TRP O O 6.225 -5.749 -1.272 1.00 . A A . 7 TRP O 1 1
20 4069 1 1 8 GLY C C 3.670 -3.979 0.789 1.00 . A A . 8 GLY C 1 1
20 4070 1 1 8 GLY CA C 5.102 -4.510 0.840 1.00 . A A . 8 GLY CA 1 1
20 4071 1 1 8 GLY H H 6.106 -2.893 -0.159 1.00 . A A . 8 GLY H 1 1
20 4072 1 1 8 GLY HA2 H 5.098 -5.578 0.672 1.00 . A A . 8 GLY HA2 1 1
20 4073 1 1 8 GLY HA3 H 5.527 -4.301 1.809 1.00 . A A . 8 GLY HA3 1 1
20 4074 1 1 8 GLY N N 5.925 -3.852 -0.208 1.00 . A A . 8 GLY N 1 1
20 4075 1 1 8 GLY O O 3.232 -3.263 1.667 1.00 . A A . 8 GLY O 1 1
20 4076 1 1 9 HIS C C 0.571 -4.916 0.197 1.00 . A A . 9 HIS C 1 1
20 4077 1 1 9 HIS CA C 1.527 -3.849 -0.343 1.00 . A A . 9 HIS CA 1 1
20 4078 1 1 9 HIS CB C 1.290 -3.643 -1.839 1.00 . A A . 9 HIS CB 1 1
20 4079 1 1 9 HIS CD2 C 2.041 -1.142 -1.499 1.00 . A A . 9 HIS CD2 1 1
20 4080 1 1 9 HIS CE1 C 2.042 -0.536 -3.579 1.00 . A A . 9 HIS CE1 1 1
20 4081 1 1 9 HIS CG C 1.664 -2.240 -2.234 1.00 . A A . 9 HIS CG 1 1
20 4082 1 1 9 HIS H H 3.311 -4.907 -0.927 1.00 . A A . 9 HIS H 1 1
20 4083 1 1 9 HIS HA H 1.397 -2.919 0.188 1.00 . A A . 9 HIS HA 1 1
20 4084 1 1 9 HIS HB2 H 1.895 -4.344 -2.395 1.00 . A A . 9 HIS HB2 1 1
20 4085 1 1 9 HIS HB3 H 0.246 -3.812 -2.062 1.00 . A A . 9 HIS HB3 1 1
20 4086 1 1 9 HIS HD1 H 1.452 -2.381 -4.336 1.00 . A A . 9 HIS HD1 1 1
20 4087 1 1 9 HIS HD2 H 2.133 -1.116 -0.423 1.00 . A A . 9 HIS HD2 1 1
20 4088 1 1 9 HIS HE1 H 2.138 0.050 -4.482 1.00 . A A . 9 HIS HE1 1 1
20 4089 1 1 9 HIS N N 2.935 -4.327 -0.234 1.00 . A A . 9 HIS N 1 1
20 4090 1 1 9 HIS ND1 N 1.673 -1.829 -3.558 1.00 . A A . 9 HIS ND1 1 1
20 4091 1 1 9 HIS NE2 N 2.279 -0.068 -2.351 1.00 . A A . 9 HIS NE2 1 1
20 4092 1 1 9 HIS O O 0.924 -6.072 0.328 1.00 . A A . 9 HIS O 1 1
20 4093 1 1 10 HIS C C -2.696 -5.815 -0.005 1.00 . A A . 10 HIS C 1 1
20 4094 1 1 10 HIS CA C -1.612 -5.536 1.039 1.00 . A A . 10 HIS CA 1 1
20 4095 1 1 10 HIS CB C -2.211 -4.876 2.283 1.00 . A A . 10 HIS CB 1 1
20 4096 1 1 10 HIS CD2 C -0.729 -3.612 4.051 1.00 . A A . 10 HIS CD2 1 1
20 4097 1 1 10 HIS CE1 C 0.516 -5.274 4.666 1.00 . A A . 10 HIS CE1 1 1
20 4098 1 1 10 HIS CG C -1.139 -4.705 3.326 1.00 . A A . 10 HIS CG 1 1
20 4099 1 1 10 HIS H H -0.904 -3.606 0.396 1.00 . A A . 10 HIS H 1 1
20 4100 1 1 10 HIS HA H -1.110 -6.447 1.311 1.00 . A A . 10 HIS HA 1 1
20 4101 1 1 10 HIS HB2 H -2.614 -3.907 2.021 1.00 . A A . 10 HIS HB2 1 1
20 4102 1 1 10 HIS HB3 H -3.000 -5.498 2.678 1.00 . A A . 10 HIS HB3 1 1
20 4103 1 1 10 HIS HD1 H -0.363 -6.675 3.401 1.00 . A A . 10 HIS HD1 1 1
20 4104 1 1 10 HIS HD2 H -1.152 -2.620 3.974 1.00 . A A . 10 HIS HD2 1 1
20 4105 1 1 10 HIS HE1 H 1.268 -5.869 5.165 1.00 . A A . 10 HIS HE1 1 1
20 4106 1 1 10 HIS N N -0.637 -4.541 0.510 1.00 . A A . 10 HIS N 1 1
20 4107 1 1 10 HIS ND1 N -0.330 -5.754 3.734 1.00 . A A . 10 HIS ND1 1 1
20 4108 1 1 10 HIS NE2 N 0.314 -3.975 4.897 1.00 . A A . 10 HIS NE2 1 1
20 4109 1 1 10 HIS O O -2.611 -6.758 -0.768 1.00 . A A . 10 HIS O 1 1
20 4110 1 1 11 ARG C C -5.863 -4.123 -0.883 1.00 . A A . 11 ARG C 1 1
20 4111 1 1 11 ARG CA C -4.795 -5.206 -1.049 1.00 . A A . 11 ARG CA 1 1
20 4112 1 1 11 ARG CB C -5.373 -6.590 -0.738 1.00 . A A . 11 ARG CB 1 1
20 4113 1 1 11 ARG CD C -5.752 -8.102 1.212 1.00 . A A . 11 ARG CD 1 1
20 4114 1 1 11 ARG CG C -5.818 -6.651 0.723 1.00 . A A . 11 ARG CG 1 1
20 4115 1 1 11 ARG CZ C -7.780 -8.088 2.546 1.00 . A A . 11 ARG CZ 1 1
20 4116 1 1 11 ARG H H -3.751 -4.241 0.570 1.00 . A A . 11 ARG H 1 1
20 4117 1 1 11 ARG HA H -4.395 -5.190 -2.050 1.00 . A A . 11 ARG HA 1 1
20 4118 1 1 11 ARG HB2 H -6.222 -6.776 -1.379 1.00 . A A . 11 ARG HB2 1 1
20 4119 1 1 11 ARG HB3 H -4.619 -7.343 -0.914 1.00 . A A . 11 ARG HB3 1 1
20 4120 1 1 11 ARG HD2 H -6.242 -8.757 0.506 1.00 . A A . 11 ARG HD2 1 1
20 4121 1 1 11 ARG HD3 H -4.726 -8.403 1.357 1.00 . A A . 11 ARG HD3 1 1
20 4122 1 1 11 ARG HE H -5.967 -8.123 3.355 1.00 . A A . 11 ARG HE 1 1
20 4123 1 1 11 ARG HG2 H -5.161 -6.036 1.323 1.00 . A A . 11 ARG HG2 1 1
20 4124 1 1 11 ARG HG3 H -6.830 -6.289 0.808 1.00 . A A . 11 ARG HG3 1 1
20 4125 1 1 11 ARG HH11 H -7.988 -8.123 0.552 1.00 . A A . 11 ARG HH11 1 1
20 4126 1 1 11 ARG HH12 H -9.466 -8.087 1.464 1.00 . A A . 11 ARG HH12 1 1
20 4127 1 1 11 ARG HH21 H -7.885 -8.047 4.546 1.00 . A A . 11 ARG HH21 1 1
20 4128 1 1 11 ARG HH22 H -9.405 -8.040 3.714 1.00 . A A . 11 ARG HH22 1 1
20 4129 1 1 11 ARG N N -3.707 -4.999 -0.051 1.00 . A A . 11 ARG N 1 1
20 4130 1 1 11 ARG NE N -6.473 -8.105 2.516 1.00 . A A . 11 ARG NE 1 1
20 4131 1 1 11 ARG NH1 N -8.463 -8.100 1.434 1.00 . A A . 11 ARG NH1 1 1
20 4132 1 1 11 ARG NH2 N -8.406 -8.056 3.692 1.00 . A A . 11 ARG NH2 1 1
20 4133 1 1 11 ARG O O -6.985 -4.393 -0.505 1.00 . A A . 11 ARG O 1 1
20 4134 1 1 12 CYS C C -7.555 -1.866 -2.125 1.00 . A A . 12 CYS C 1 1
20 4135 1 1 12 CYS CA C -6.510 -1.793 -1.010 1.00 . A A . 12 CYS CA 1 1
20 4136 1 1 12 CYS CB C -5.693 -0.505 -1.128 1.00 . A A . 12 CYS CB 1 1
20 4137 1 1 12 CYS H H -4.607 -2.695 -1.455 1.00 . A A . 12 CYS H 1 1
20 4138 1 1 12 CYS HA H -6.984 -1.839 -0.042 1.00 . A A . 12 CYS HA 1 1
20 4139 1 1 12 CYS HB2 H -5.232 -0.459 -2.106 1.00 . A A . 12 CYS HB2 1 1
20 4140 1 1 12 CYS HB3 H -6.345 0.347 -0.998 1.00 . A A . 12 CYS HB3 1 1
20 4141 1 1 12 CYS N N -5.517 -2.894 -1.156 1.00 . A A . 12 CYS N 1 1
20 4142 1 1 12 CYS O O -7.594 -2.802 -2.898 1.00 . A A . 12 CYS O 1 1
20 4143 1 1 12 CYS SG S -4.410 -0.480 0.145 1.00 . A A . 12 CYS SG 1 1
20 4144 1 1 13 THR C C -9.015 0.014 -4.434 1.00 . A A . 13 THR C 1 1
20 4145 1 1 13 THR CA C -9.449 -0.882 -3.269 1.00 . A A . 13 THR CA 1 1
20 4146 1 1 13 THR CB C -10.696 -0.318 -2.588 1.00 . A A . 13 THR CB 1 1
20 4147 1 1 13 THR CG2 C -11.936 -0.660 -3.418 1.00 . A A . 13 THR CG2 1 1
20 4148 1 1 13 THR H H -8.354 -0.137 -1.574 1.00 . A A . 13 THR H 1 1
20 4149 1 1 13 THR HA H -9.638 -1.887 -3.613 1.00 . A A . 13 THR HA 1 1
20 4150 1 1 13 THR HB H -10.607 0.753 -2.505 1.00 . A A . 13 THR HB 1 1
20 4151 1 1 13 THR HG1 H -11.059 -1.810 -1.392 1.00 . A A . 13 THR HG1 1 1
20 4152 1 1 13 THR HG21 H -11.629 -1.081 -4.364 1.00 . A A . 13 THR HG21 1 1
20 4153 1 1 13 THR HG22 H -12.541 -1.378 -2.884 1.00 . A A . 13 THR HG22 1 1
20 4154 1 1 13 THR HG23 H -12.511 0.237 -3.592 1.00 . A A . 13 THR HG23 1 1
20 4155 1 1 13 THR N N -8.404 -0.880 -2.209 1.00 . A A . 13 THR N 1 1
20 4156 1 1 13 THR O O -9.820 0.716 -5.013 1.00 . A A . 13 THR O 1 1
20 4157 1 1 13 THR OG1 O -10.822 -0.884 -1.291 1.00 . A A . 13 THR OG1 1 1
20 4158 1 1 14 NH2 HN1 H -7.109 -0.544 -4.331 1.00 . A A . 14 NH2 HN1 1 1
20 4159 1 1 14 NH2 HN2 H -7.471 0.596 -5.546 1.00 . A A . 14 NH2 HN2 1 1
20 4160 1 1 14 NH2 N N -7.761 0.023 -4.801 1.00 . A A . 14 NH2 N 1 1
21 4161 1 1 1 ILE C C -4.359 6.026 0.356 1.00 . A A . 1 ILE C 1 1
21 4162 1 1 1 ILE CA C -5.339 6.821 -0.524 1.00 . A A . 1 ILE CA 1 1
21 4163 1 1 1 ILE CB C -6.497 7.423 0.289 1.00 . A A . 1 ILE CB 1 1
21 4164 1 1 1 ILE CD1 C -4.774 8.885 1.365 1.00 . A A . 1 ILE CD1 1 1
21 4165 1 1 1 ILE CG1 C -6.147 8.859 0.694 1.00 . A A . 1 ILE CG1 1 1
21 4166 1 1 1 ILE CG2 C -6.772 6.589 1.546 1.00 . A A . 1 ILE CG2 1 1
21 4167 1 1 1 ILE H1 H -6.402 5.094 -0.997 1.00 . A A . 1 ILE H1 1 1
21 4168 1 1 1 ILE H2 H -6.754 6.421 -1.996 1.00 . A A . 1 ILE H2 1 1
21 4169 1 1 1 ILE H3 H -5.296 5.578 -2.195 1.00 . A A . 1 ILE H3 1 1
21 4170 1 1 1 ILE HA H -4.813 7.606 -1.046 1.00 . A A . 1 ILE HA 1 1
21 4171 1 1 1 ILE HB H -7.387 7.436 -0.325 1.00 . A A . 1 ILE HB 1 1
21 4172 1 1 1 ILE HD11 H -4.765 8.193 2.193 1.00 . A A . 1 ILE HD11 1 1
21 4173 1 1 1 ILE HD12 H -4.018 8.599 0.649 1.00 . A A . 1 ILE HD12 1 1
21 4174 1 1 1 ILE HD13 H -4.567 9.882 1.726 1.00 . A A . 1 ILE HD13 1 1
21 4175 1 1 1 ILE HG12 H -6.129 9.486 -0.186 1.00 . A A . 1 ILE HG12 1 1
21 4176 1 1 1 ILE HG13 H -6.890 9.228 1.385 1.00 . A A . 1 ILE HG13 1 1
21 4177 1 1 1 ILE HG21 H -6.962 5.563 1.265 1.00 . A A . 1 ILE HG21 1 1
21 4178 1 1 1 ILE HG22 H -5.914 6.630 2.200 1.00 . A A . 1 ILE HG22 1 1
21 4179 1 1 1 ILE HG23 H -7.635 6.987 2.059 1.00 . A A . 1 ILE HG23 1 1
21 4180 1 1 1 ILE N N -5.998 5.910 -1.501 1.00 . A A . 1 ILE N 1 1
21 4181 1 1 1 ILE O O -3.775 6.546 1.285 1.00 . A A . 1 ILE O 1 1
21 4182 1 1 2 CYS C C -2.345 3.112 -0.087 1.00 . A A . 2 CYS C 1 1
21 4183 1 1 2 CYS CA C -3.222 3.939 0.855 1.00 . A A . 2 CYS CA 1 1
21 4184 1 1 2 CYS CB C -4.100 3.022 1.704 1.00 . A A . 2 CYS CB 1 1
21 4185 1 1 2 CYS H H -4.643 4.374 -0.705 1.00 . A A . 2 CYS H 1 1
21 4186 1 1 2 CYS HA H -2.613 4.565 1.490 1.00 . A A . 2 CYS HA 1 1
21 4187 1 1 2 CYS HB2 H -3.477 2.296 2.208 1.00 . A A . 2 CYS HB2 1 1
21 4188 1 1 2 CYS HB3 H -4.634 3.610 2.437 1.00 . A A . 2 CYS HB3 1 1
21 4189 1 1 2 CYS N N -4.170 4.769 0.055 1.00 . A A . 2 CYS N 1 1
21 4190 1 1 2 CYS O O -2.834 2.311 -0.857 1.00 . A A . 2 CYS O 1 1
21 4191 1 1 2 CYS SG S -5.282 2.163 0.637 1.00 . A A . 2 CYS SG 1 1
21 4192 1 1 3 VAL C C 1.181 2.281 -0.271 1.00 . A A . 3 VAL C 1 1
21 4193 1 1 3 VAL CA C -0.162 2.533 -0.944 1.00 . A A . 3 VAL CA 1 1
21 4194 1 1 3 VAL CB C 0.006 3.435 -2.154 1.00 . A A . 3 VAL CB 1 1
21 4195 1 1 3 VAL CG1 C 1.006 2.815 -3.129 1.00 . A A . 3 VAL CG1 1 1
21 4196 1 1 3 VAL CG2 C -1.344 3.611 -2.853 1.00 . A A . 3 VAL CG2 1 1
21 4197 1 1 3 VAL H H -0.683 3.961 0.583 1.00 . A A . 3 VAL H 1 1
21 4198 1 1 3 VAL HA H -0.619 1.607 -1.225 1.00 . A A . 3 VAL HA 1 1
21 4199 1 1 3 VAL HB H 0.371 4.394 -1.819 1.00 . A A . 3 VAL HB 1 1
21 4200 1 1 3 VAL HG11 H 1.046 1.747 -2.972 1.00 . A A . 3 VAL HG11 1 1
21 4201 1 1 3 VAL HG12 H 0.692 3.019 -4.142 1.00 . A A . 3 VAL HG12 1 1
21 4202 1 1 3 VAL HG13 H 1.984 3.241 -2.962 1.00 . A A . 3 VAL HG13 1 1
21 4203 1 1 3 VAL HG21 H -1.881 2.674 -2.841 1.00 . A A . 3 VAL HG21 1 1
21 4204 1 1 3 VAL HG22 H -1.920 4.364 -2.336 1.00 . A A . 3 VAL HG22 1 1
21 4205 1 1 3 VAL HG23 H -1.181 3.921 -3.874 1.00 . A A . 3 VAL HG23 1 1
21 4206 1 1 3 VAL N N -1.059 3.305 -0.039 1.00 . A A . 3 VAL N 1 1
21 4207 1 1 3 VAL O O 2.159 1.938 -0.904 1.00 . A A . 3 VAL O 1 1
21 4208 1 1 4 VAL C C 3.183 0.955 1.280 1.00 . A A . 4 VAL C 1 1
21 4209 1 1 4 VAL CA C 2.489 2.228 1.764 1.00 . A A . 4 VAL CA 1 1
21 4210 1 1 4 VAL CB C 2.075 2.090 3.233 1.00 . A A . 4 VAL CB 1 1
21 4211 1 1 4 VAL CG1 C 0.779 1.281 3.337 1.00 . A A . 4 VAL CG1 1 1
21 4212 1 1 4 VAL CG2 C 3.177 1.376 4.023 1.00 . A A . 4 VAL CG2 1 1
21 4213 1 1 4 VAL H H 0.410 2.730 1.471 1.00 . A A . 4 VAL H 1 1
21 4214 1 1 4 VAL HA H 3.146 3.076 1.649 1.00 . A A . 4 VAL HA 1 1
21 4215 1 1 4 VAL HB H 1.920 3.073 3.647 1.00 . A A . 4 VAL HB 1 1
21 4216 1 1 4 VAL HG11 H 0.521 0.886 2.365 1.00 . A A . 4 VAL HG11 1 1
21 4217 1 1 4 VAL HG12 H 0.920 0.465 4.030 1.00 . A A . 4 VAL HG12 1 1
21 4218 1 1 4 VAL HG13 H -0.017 1.920 3.690 1.00 . A A . 4 VAL HG13 1 1
21 4219 1 1 4 VAL HG21 H 3.353 0.400 3.596 1.00 . A A . 4 VAL HG21 1 1
21 4220 1 1 4 VAL HG22 H 4.086 1.958 3.981 1.00 . A A . 4 VAL HG22 1 1
21 4221 1 1 4 VAL HG23 H 2.869 1.267 5.052 1.00 . A A . 4 VAL HG23 1 1
21 4222 1 1 4 VAL N N 1.221 2.452 1.007 1.00 . A A . 4 VAL N 1 1
21 4223 1 1 4 VAL O O 2.631 0.173 0.532 1.00 . A A . 4 VAL O 1 1
21 4224 1 1 5 GLN C C 5.087 -0.604 -0.240 1.00 . A A . 5 GLN C 1 1
21 4225 1 1 5 GLN CA C 5.148 -0.459 1.277 1.00 . A A . 5 GLN CA 1 1
21 4226 1 1 5 GLN CB C 4.466 -1.641 1.950 1.00 . A A . 5 GLN CB 1 1
21 4227 1 1 5 GLN CD C 3.466 -1.987 4.216 1.00 . A A . 5 GLN CD 1 1
21 4228 1 1 5 GLN CG C 4.733 -1.594 3.456 1.00 . A A . 5 GLN CG 1 1
21 4229 1 1 5 GLN H H 4.816 1.401 2.306 1.00 . A A . 5 GLN H 1 1
21 4230 1 1 5 GLN HA H 6.173 -0.394 1.605 1.00 . A A . 5 GLN HA 1 1
21 4231 1 1 5 GLN HB2 H 3.404 -1.598 1.763 1.00 . A A . 5 GLN HB2 1 1
21 4232 1 1 5 GLN HB3 H 4.870 -2.552 1.542 1.00 . A A . 5 GLN HB3 1 1
21 4233 1 1 5 GLN HE21 H 4.448 -2.432 5.886 1.00 . A A . 5 GLN HE21 1 1
21 4234 1 1 5 GLN HE22 H 2.758 -2.644 5.955 1.00 . A A . 5 GLN HE22 1 1
21 4235 1 1 5 GLN HG2 H 5.528 -2.283 3.701 1.00 . A A . 5 GLN HG2 1 1
21 4236 1 1 5 GLN HG3 H 5.024 -0.593 3.738 1.00 . A A . 5 GLN HG3 1 1
21 4237 1 1 5 GLN N N 4.395 0.750 1.705 1.00 . A A . 5 GLN N 1 1
21 4238 1 1 5 GLN NE2 N 3.565 -2.387 5.455 1.00 . A A . 5 GLN NE2 1 1
21 4239 1 1 5 GLN O O 4.150 -1.143 -0.795 1.00 . A A . 5 GLN O 1 1
21 4240 1 1 5 GLN OE1 O 2.377 -1.930 3.682 1.00 . A A . 5 GLN OE1 1 1
21 4241 1 1 6 ASP C C 6.602 -1.603 -2.812 1.00 . A A . 6 ASP C 1 1
21 4242 1 1 6 ASP CA C 6.131 -0.214 -2.392 1.00 . A A . 6 ASP CA 1 1
21 4243 1 1 6 ASP CB C 7.153 0.838 -2.807 1.00 . A A . 6 ASP CB 1 1
21 4244 1 1 6 ASP CG C 6.576 2.233 -2.556 1.00 . A A . 6 ASP CG 1 1
21 4245 1 1 6 ASP H H 6.822 0.295 -0.414 1.00 . A A . 6 ASP H 1 1
21 4246 1 1 6 ASP HA H 5.167 0.011 -2.818 1.00 . A A . 6 ASP HA 1 1
21 4247 1 1 6 ASP HB2 H 8.053 0.707 -2.225 1.00 . A A . 6 ASP HB2 1 1
21 4248 1 1 6 ASP HB3 H 7.380 0.726 -3.856 1.00 . A A . 6 ASP HB3 1 1
21 4249 1 1 6 ASP N N 6.089 -0.125 -0.902 1.00 . A A . 6 ASP N 1 1
21 4250 1 1 6 ASP O O 6.363 -2.053 -3.915 1.00 . A A . 6 ASP O 1 1
21 4251 1 1 6 ASP OD1 O 5.374 2.388 -2.692 1.00 . A A . 6 ASP OD1 1 1
21 4252 1 1 6 ASP OD2 O 7.346 3.121 -2.232 1.00 . A A . 6 ASP OD2 1 1
21 4253 1 1 7 TRP C C 6.830 -4.681 -1.592 1.00 . A A . 7 TRP C 1 1
21 4254 1 1 7 TRP CA C 7.756 -3.656 -2.233 1.00 . A A . 7 TRP CA 1 1
21 4255 1 1 7 TRP CB C 9.158 -3.766 -1.612 1.00 . A A . 7 TRP CB 1 1
21 4256 1 1 7 TRP CD1 C 9.901 -1.662 -0.447 1.00 . A A . 7 TRP CD1 1 1
21 4257 1 1 7 TRP CD2 C 8.819 -3.052 0.938 1.00 . A A . 7 TRP CD2 1 1
21 4258 1 1 7 TRP CE2 C 9.189 -1.924 1.707 1.00 . A A . 7 TRP CE2 1 1
21 4259 1 1 7 TRP CE3 C 8.116 -4.085 1.575 1.00 . A A . 7 TRP CE3 1 1
21 4260 1 1 7 TRP CG C 9.296 -2.863 -0.424 1.00 . A A . 7 TRP CG 1 1
21 4261 1 1 7 TRP CH2 C 8.171 -2.862 3.682 1.00 . A A . 7 TRP CH2 1 1
21 4262 1 1 7 TRP CZ2 C 8.871 -1.824 3.061 1.00 . A A . 7 TRP CZ2 1 1
21 4263 1 1 7 TRP CZ3 C 7.792 -3.990 2.940 1.00 . A A . 7 TRP CZ3 1 1
21 4264 1 1 7 TRP H H 7.422 -1.891 -1.047 1.00 . A A . 7 TRP H 1 1
21 4265 1 1 7 TRP HA H 7.810 -3.809 -3.300 1.00 . A A . 7 TRP HA 1 1
21 4266 1 1 7 TRP HB2 H 9.325 -4.784 -1.297 1.00 . A A . 7 TRP HB2 1 1
21 4267 1 1 7 TRP HB3 H 9.894 -3.496 -2.350 1.00 . A A . 7 TRP HB3 1 1
21 4268 1 1 7 TRP HD1 H 10.353 -1.217 -1.310 1.00 . A A . 7 TRP HD1 1 1
21 4269 1 1 7 TRP HE1 H 10.224 -0.235 1.068 1.00 . A A . 7 TRP HE1 1 1
21 4270 1 1 7 TRP HE3 H 7.818 -4.953 1.008 1.00 . A A . 7 TRP HE3 1 1
21 4271 1 1 7 TRP HH2 H 7.920 -2.794 4.730 1.00 . A A . 7 TRP HH2 1 1
21 4272 1 1 7 TRP HZ2 H 9.166 -0.953 3.627 1.00 . A A . 7 TRP HZ2 1 1
21 4273 1 1 7 TRP HZ3 H 7.251 -4.792 3.421 1.00 . A A . 7 TRP HZ3 1 1
21 4274 1 1 7 TRP N N 7.261 -2.283 -1.926 1.00 . A A . 7 TRP N 1 1
21 4275 1 1 7 TRP NE1 N 9.847 -1.104 0.816 1.00 . A A . 7 TRP NE1 1 1
21 4276 1 1 7 TRP O O 6.890 -5.862 -1.878 1.00 . A A . 7 TRP O 1 1
21 4277 1 1 8 GLY C C 3.674 -4.547 0.088 1.00 . A A . 8 GLY C 1 1
21 4278 1 1 8 GLY CA C 5.062 -5.179 -0.038 1.00 . A A . 8 GLY CA 1 1
21 4279 1 1 8 GLY H H 5.958 -3.286 -0.493 1.00 . A A . 8 GLY H 1 1
21 4280 1 1 8 GLY HA2 H 5.000 -6.090 -0.614 1.00 . A A . 8 GLY HA2 1 1
21 4281 1 1 8 GLY HA3 H 5.446 -5.397 0.944 1.00 . A A . 8 GLY HA3 1 1
21 4282 1 1 8 GLY N N 5.983 -4.238 -0.714 1.00 . A A . 8 GLY N 1 1
21 4283 1 1 8 GLY O O 3.326 -3.989 1.109 1.00 . A A . 8 GLY O 1 1
21 4284 1 1 9 HIS C C 0.553 -4.956 -0.131 1.00 . A A . 9 HIS C 1 1
21 4285 1 1 9 HIS CA C 1.512 -4.029 -0.880 1.00 . A A . 9 HIS CA 1 1
21 4286 1 1 9 HIS CB C 1.077 -3.877 -2.337 1.00 . A A . 9 HIS CB 1 1
21 4287 1 1 9 HIS CD2 C 2.039 -1.439 -2.487 1.00 . A A . 9 HIS CD2 1 1
21 4288 1 1 9 HIS CE1 C 2.942 -1.577 -4.452 1.00 . A A . 9 HIS CE1 1 1
21 4289 1 1 9 HIS CG C 1.794 -2.708 -2.950 1.00 . A A . 9 HIS CG 1 1
21 4290 1 1 9 HIS H H 3.179 -5.081 -1.758 1.00 . A A . 9 HIS H 1 1
21 4291 1 1 9 HIS HA H 1.548 -3.062 -0.405 1.00 . A A . 9 HIS HA 1 1
21 4292 1 1 9 HIS HB2 H 1.323 -4.779 -2.883 1.00 . A A . 9 HIS HB2 1 1
21 4293 1 1 9 HIS HB3 H 0.010 -3.708 -2.378 1.00 . A A . 9 HIS HB3 1 1
21 4294 1 1 9 HIS HD1 H 2.378 -3.548 -4.805 1.00 . A A . 9 HIS HD1 1 1
21 4295 1 1 9 HIS HD2 H 1.717 -1.053 -1.531 1.00 . A A . 9 HIS HD2 1 1
21 4296 1 1 9 HIS HE1 H 3.476 -1.333 -5.358 1.00 . A A . 9 HIS HE1 1 1
21 4297 1 1 9 HIS N N 2.878 -4.629 -0.944 1.00 . A A . 9 HIS N 1 1
21 4298 1 1 9 HIS ND1 N 2.378 -2.773 -4.206 1.00 . A A . 9 HIS ND1 1 1
21 4299 1 1 9 HIS NE2 N 2.764 -0.726 -3.436 1.00 . A A . 9 HIS NE2 1 1
21 4300 1 1 9 HIS O O 0.587 -6.160 -0.289 1.00 . A A . 9 HIS O 1 1
21 4301 1 1 10 HIS C C -2.489 -5.574 0.589 1.00 . A A . 10 HIS C 1 1
21 4302 1 1 10 HIS CA C -1.262 -5.252 1.450 1.00 . A A . 10 HIS CA 1 1
21 4303 1 1 10 HIS CB C -1.656 -4.413 2.667 1.00 . A A . 10 HIS CB 1 1
21 4304 1 1 10 HIS CD2 C 0.044 -5.427 4.396 1.00 . A A . 10 HIS CD2 1 1
21 4305 1 1 10 HIS CE1 C -1.384 -6.099 5.883 1.00 . A A . 10 HIS CE1 1 1
21 4306 1 1 10 HIS CG C -1.205 -5.101 3.926 1.00 . A A . 10 HIS CG 1 1
21 4307 1 1 10 HIS H H -0.312 -3.430 0.799 1.00 . A A . 10 HIS H 1 1
21 4308 1 1 10 HIS HA H -0.786 -6.160 1.771 1.00 . A A . 10 HIS HA 1 1
21 4309 1 1 10 HIS HB2 H -1.183 -3.444 2.601 1.00 . A A . 10 HIS HB2 1 1
21 4310 1 1 10 HIS HB3 H -2.729 -4.289 2.689 1.00 . A A . 10 HIS HB3 1 1
21 4311 1 1 10 HIS HD1 H -3.076 -5.458 4.855 1.00 . A A . 10 HIS HD1 1 1
21 4312 1 1 10 HIS HD2 H 0.973 -5.228 3.884 1.00 . A A . 10 HIS HD2 1 1
21 4313 1 1 10 HIS HE1 H -1.814 -6.529 6.775 1.00 . A A . 10 HIS HE1 1 1
21 4314 1 1 10 HIS N N -0.302 -4.403 0.687 1.00 . A A . 10 HIS N 1 1
21 4315 1 1 10 HIS ND1 N -2.100 -5.540 4.890 1.00 . A A . 10 HIS ND1 1 1
21 4316 1 1 10 HIS NE2 N -0.072 -6.056 5.632 1.00 . A A . 10 HIS NE2 1 1
21 4317 1 1 10 HIS O O -2.593 -6.641 0.018 1.00 . A A . 10 HIS O 1 1
21 4318 1 1 11 ARG C C -5.599 -3.739 -0.260 1.00 . A A . 11 ARG C 1 1
21 4319 1 1 11 ARG CA C -4.633 -4.924 -0.335 1.00 . A A . 11 ARG CA 1 1
21 4320 1 1 11 ARG CB C -5.277 -6.174 0.272 1.00 . A A . 11 ARG CB 1 1
21 4321 1 1 11 ARG CD C -5.375 -7.405 2.445 1.00 . A A . 11 ARG CD 1 1
21 4322 1 1 11 ARG CG C -5.394 -6.020 1.792 1.00 . A A . 11 ARG CG 1 1
21 4323 1 1 11 ARG CZ C -6.298 -7.233 4.678 1.00 . A A . 11 ARG CZ 1 1
21 4324 1 1 11 ARG H H -3.314 -3.807 0.958 1.00 . A A . 11 ARG H 1 1
21 4325 1 1 11 ARG HA H -4.356 -5.117 -1.360 1.00 . A A . 11 ARG HA 1 1
21 4326 1 1 11 ARG HB2 H -6.263 -6.309 -0.151 1.00 . A A . 11 ARG HB2 1 1
21 4327 1 1 11 ARG HB3 H -4.672 -7.036 0.046 1.00 . A A . 11 ARG HB3 1 1
21 4328 1 1 11 ARG HD2 H -6.296 -7.930 2.234 1.00 . A A . 11 ARG HD2 1 1
21 4329 1 1 11 ARG HD3 H -4.528 -7.974 2.094 1.00 . A A . 11 ARG HD3 1 1
21 4330 1 1 11 ARG HE H -4.375 -6.919 4.290 1.00 . A A . 11 ARG HE 1 1
21 4331 1 1 11 ARG HG2 H -4.565 -5.436 2.163 1.00 . A A . 11 ARG HG2 1 1
21 4332 1 1 11 ARG HG3 H -6.322 -5.524 2.035 1.00 . A A . 11 ARG HG3 1 1
21 4333 1 1 11 ARG HH11 H -7.486 -6.217 3.427 1.00 . A A . 11 ARG HH11 1 1
21 4334 1 1 11 ARG HH12 H -8.233 -6.763 4.896 1.00 . A A . 11 ARG HH12 1 1
21 4335 1 1 11 ARG HH21 H -5.360 -8.281 6.105 1.00 . A A . 11 ARG HH21 1 1
21 4336 1 1 11 ARG HH22 H -7.027 -7.925 6.411 1.00 . A A . 11 ARG HH22 1 1
21 4337 1 1 11 ARG N N -3.416 -4.662 0.491 1.00 . A A . 11 ARG N 1 1
21 4338 1 1 11 ARG NE N -5.247 -7.148 3.907 1.00 . A A . 11 ARG NE 1 1
21 4339 1 1 11 ARG NH1 N -7.426 -6.695 4.304 1.00 . A A . 11 ARG NH1 1 1
21 4340 1 1 11 ARG NH2 N -6.223 -7.862 5.820 1.00 . A A . 11 ARG NH2 1 1
21 4341 1 1 11 ARG O O -6.667 -3.832 0.312 1.00 . A A . 11 ARG O 1 1
21 4342 1 1 12 CYS C C -7.278 -1.623 -1.817 1.00 . A A . 12 CYS C 1 1
21 4343 1 1 12 CYS CA C -6.144 -1.444 -0.806 1.00 . A A . 12 CYS CA 1 1
21 4344 1 1 12 CYS CB C -5.262 -0.253 -1.189 1.00 . A A . 12 CYS CB 1 1
21 4345 1 1 12 CYS H H -4.375 -2.572 -1.303 1.00 . A A . 12 CYS H 1 1
21 4346 1 1 12 CYS HA H -6.542 -1.304 0.185 1.00 . A A . 12 CYS HA 1 1
21 4347 1 1 12 CYS HB2 H -4.531 -0.567 -1.919 1.00 . A A . 12 CYS HB2 1 1
21 4348 1 1 12 CYS HB3 H -5.878 0.529 -1.608 1.00 . A A . 12 CYS HB3 1 1
21 4349 1 1 12 CYS N N -5.238 -2.628 -0.840 1.00 . A A . 12 CYS N 1 1
21 4350 1 1 12 CYS O O -8.385 -1.980 -1.468 1.00 . A A . 12 CYS O 1 1
21 4351 1 1 12 CYS SG S -4.416 0.371 0.285 1.00 . A A . 12 CYS SG 1 1
21 4352 1 1 13 THR C C -7.712 -2.679 -5.058 1.00 . A A . 13 THR C 1 1
21 4353 1 1 13 THR CA C -8.070 -1.534 -4.106 1.00 . A A . 13 THR CA 1 1
21 4354 1 1 13 THR CB C -8.085 -0.201 -4.855 1.00 . A A . 13 THR CB 1 1
21 4355 1 1 13 THR CG2 C -9.480 0.048 -5.431 1.00 . A A . 13 THR CG2 1 1
21 4356 1 1 13 THR H H -6.108 -1.089 -3.326 1.00 . A A . 13 THR H 1 1
21 4357 1 1 13 THR HA H -9.028 -1.709 -3.643 1.00 . A A . 13 THR HA 1 1
21 4358 1 1 13 THR HB H -7.368 -0.232 -5.661 1.00 . A A . 13 THR HB 1 1
21 4359 1 1 13 THR HG1 H -8.417 0.875 -3.270 1.00 . A A . 13 THR HG1 1 1
21 4360 1 1 13 THR HG21 H -9.825 -0.843 -5.934 1.00 . A A . 13 THR HG21 1 1
21 4361 1 1 13 THR HG22 H -10.159 0.299 -4.631 1.00 . A A . 13 THR HG22 1 1
21 4362 1 1 13 THR HG23 H -9.436 0.865 -6.137 1.00 . A A . 13 THR HG23 1 1
21 4363 1 1 13 THR N N -7.009 -1.377 -3.068 1.00 . A A . 13 THR N 1 1
21 4364 1 1 13 THR O O -6.568 -2.845 -5.430 1.00 . A A . 13 THR O 1 1
21 4365 1 1 13 THR OG1 O -7.747 0.847 -3.958 1.00 . A A . 13 THR OG1 1 1
21 4366 1 1 14 NH2 HN1 H -9.578 -3.351 -5.177 1.00 . A A . 14 NH2 HN1 1 1
21 4367 1 1 14 NH2 HN2 H -8.428 -4.215 -6.092 1.00 . A A . 14 NH2 HN2 1 1
21 4368 1 1 14 NH2 N N -8.651 -3.482 -5.476 1.00 . A A . 14 NH2 N 1 1
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