NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
371597 |
1cnl   |
4399 | cing | 4-filtered-FRED | STAR | entry | full | 92 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1cnl
# This FRED archive file contains, for PDB entry <1cnl>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1cnl
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1cnl
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 1353.58
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 $PROTEIN__ALPHA_CONOTOXIN_IMI_ A . 1 1
stop_
save_
save_PROTEIN__ALPHA_CONOTOXIN_IMI_
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "PROTEIN ALPHA CONOTOXIN IMI "
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code GCCSDPRCAWRCX
_Entity.Number_of_monomers 13
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 GLY . 1 1
2 CYS . 1 1
3 CYS . 1 1
4 SER . 1 1
5 ASP . 1 1
6 PRO . 1 1
7 ARG . 1 1
8 CYS . 1 1
9 ALA . 1 1
10 TRP . 1 1
11 ARG . 1 1
12 CYS . 1 1
13 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
GLY 1 1 1 1
CYS 2 2 1 1
CYS 3 3 1 1
SER 4 4 1 1
ASP 5 5 1 1
PRO 6 6 1 1
ARG 7 7 1 1
CYS 8 8 1 1
ALA 9 9 1 1
TRP 10 10 1 1
ARG 11 11 1 1
CYS 12 12 1 1
NH2 13 13 1 1
stop_
save_
save_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NH2
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 GLY HA2 . 1 . HA2 1 1
1 1 2 1 1 2 CYS H . 2 . HN 1 1
2 1 1 1 1 1 GLY HA2 . 1 . HA2 1 1
2 1 2 1 1 3 CYS H . 3 . HN 1 1
3 1 1 1 1 1 GLY HA3 . 1 . HA1 1 1
3 1 2 1 1 2 CYS H . 2 . HN 1 1
4 1 1 1 1 1 GLY HA3 . 1 . HA1 1 1
4 1 2 1 1 3 CYS H . 3 . HN 1 1
5 1 1 1 1 2 CYS H . 2 . HN 1 1
5 1 2 1 1 2 CYS HB2 . 2 . HB2 1 1
6 1 1 1 1 2 CYS H . 2 . HN 1 1
6 1 2 1 1 2 CYS HB3 . 2 . HB1 1 1
7 1 1 1 1 2 CYS H . 2 . HN 1 1
7 1 2 1 1 3 CYS H . 3 . HN 1 1
8 1 1 1 1 2 CYS HA . 2 . HA 1 1
8 1 2 1 1 3 CYS H . 3 . HN 1 1
9 1 1 1 1 2 CYS HA . 2 . HA 1 1
9 1 2 1 1 7 ARG HG2 . 7 . HG2 1 1
10 1 1 1 1 2 CYS HA . 2 . HA 1 1
10 1 2 1 1 7 ARG HG3 . 7 . HG1 1 1
11 1 1 1 1 2 CYS HA . 2 . HA 1 1
11 1 2 1 1 8 CYS H . 8 . HN 1 1
12 1 1 1 1 2 CYS HA . 2 . HA 1 1
12 1 2 1 1 8 CYS HB2 . 8 . HB2 1 1
13 1 1 1 1 2 CYS HA . 2 . HA 1 1
13 1 2 1 1 8 CYS HB3 . 8 . HB1 1 1
14 1 1 1 1 2 CYS HB2 . 2 . HB2 1 1
14 1 2 1 1 3 CYS H . 3 . HN 1 1
15 1 1 1 1 2 CYS HB3 . 2 . HB1 1 1
15 1 2 1 1 3 CYS H . 3 . HN 1 1
16 1 1 1 1 3 CYS H . 3 . HN 1 1
16 1 2 1 1 3 CYS HB2 . 3 . HB2 1 1
17 1 1 1 1 3 CYS H . 3 . HN 1 1
17 1 2 1 1 3 CYS HB3 . 3 . HB1 1 1
18 1 1 1 1 3 CYS H . 3 . HN 1 1
18 1 2 1 1 4 SER H . 4 . HN 1 1
19 1 1 1 1 3 CYS H . 3 . HN 1 1
19 1 2 1 1 5 ASP H . 5 . HN 1 1
20 1 1 1 1 3 CYS HA . 3 . HA 1 1
20 1 2 1 1 8 CYS H . 8 . HN 1 1
21 1 1 1 1 3 CYS HA . 3 . HA 1 1
21 1 2 1 1 9 ALA HA . 9 . HA 1 1
22 1 1 1 1 3 CYS HA . 3 . HA 1 1
22 1 2 1 1 12 CYS H . 12 . HN 1 1
23 1 1 1 1 3 CYS HB2 . 3 . HB2 1 1
23 1 2 1 1 8 CYS H . 8 . HN 1 1
24 1 1 1 1 3 CYS HB2 . 3 . HB2 1 1
24 1 2 1 1 9 ALA HA . 9 . HA 1 1
25 1 1 1 1 3 CYS HB2 . 3 . HB2 1 1
25 1 2 1 1 10 TRP HA . 10 . HA 1 1
26 1 1 1 1 3 CYS HB2 . 3 . HB2 1 1
26 1 2 1 1 12 CYS HA . 12 . HA 1 1
27 1 1 1 1 3 CYS HB3 . 3 . HB1 1 1
27 1 2 1 1 8 CYS H . 8 . HN 1 1
28 1 1 1 1 3 CYS HB3 . 3 . HB1 1 1
28 1 2 1 1 9 ALA HA . 9 . HA 1 1
29 1 1 1 1 3 CYS HB3 . 3 . HB1 1 1
29 1 2 1 1 10 TRP HA . 10 . HA 1 1
30 1 1 1 1 3 CYS HB3 . 3 . HB1 1 1
30 1 2 1 1 12 CYS HA . 12 . HA 1 1
31 1 1 1 1 4 SER H . 4 . HN 1 1
31 1 2 1 1 5 ASP H . 5 . HN 1 1
32 1 1 1 1 4 SER HA . 4 . HA 1 1
32 1 2 1 1 5 ASP H . 5 . HN 1 1
33 1 1 1 1 5 ASP HA . 5 . HA 1 1
33 1 2 1 1 6 PRO HD2 . 6 . HD2 1 1
34 1 1 1 1 5 ASP HA . 5 . HA 1 1
34 1 2 1 1 6 PRO HD3 . 6 . HD1 1 1
35 1 1 1 1 5 ASP HA . 5 . HA 1 1
35 1 2 1 1 6 PRO QG . 6 . HG* 1 1
36 1 1 1 1 5 ASP HA . 5 . HA 1 1
36 1 2 1 1 7 ARG H . 7 . HN 1 1
37 1 1 1 1 5 ASP HB2 . 5 . HB2 1 1
37 1 2 1 1 6 PRO HD2 . 6 . HD2 1 1
38 1 1 1 1 5 ASP HB3 . 5 . HB1 1 1
38 1 2 1 1 6 PRO HD3 . 6 . HD1 1 1
39 1 1 1 1 6 PRO HA . 6 . HA 1 1
39 1 2 1 1 7 ARG H . 7 . HN 1 1
40 1 1 1 1 6 PRO HA . 6 . HA 1 1
40 1 2 1 1 8 CYS HB2 . 8 . HB2 1 1
41 1 1 1 1 6 PRO HA . 6 . HA 1 1
41 1 2 1 1 8 CYS HB3 . 8 . HB1 1 1
42 1 1 1 1 6 PRO HA . 6 . HA 1 1
42 1 2 1 1 9 ALA MB . 9 . HB* 1 1
43 1 1 1 1 6 PRO HD2 . 6 . HD2 1 1
43 1 2 1 1 7 ARG H . 7 . HN 1 1
44 1 1 1 1 6 PRO HD3 . 6 . HD1 1 1
44 1 2 1 1 7 ARG H . 7 . HN 1 1
45 1 1 1 1 6 PRO QG . 6 . HG* 1 1
45 1 2 1 1 7 ARG H . 7 . HN 1 1
46 1 1 1 1 7 ARG H . 7 . HN 1 1
46 1 2 1 1 7 ARG HB2 . 7 . HB2 1 1
47 1 1 1 1 7 ARG H . 7 . HN 1 1
47 1 2 1 1 7 ARG HB3 . 7 . HB1 1 1
48 1 1 1 1 7 ARG H . 7 . HN 1 1
48 1 2 1 1 8 CYS H . 8 . HN 1 1
49 1 1 1 1 7 ARG HA . 7 . HA 1 1
49 1 2 1 1 8 CYS H . 8 . HN 1 1
50 1 1 1 1 7 ARG HA . 7 . HA 1 1
50 1 2 1 1 9 ALA H . 9 . HN 1 1
51 1 1 1 1 7 ARG HB2 . 7 . HB2 1 1
51 1 2 1 1 8 CYS H . 8 . HN 1 1
52 1 1 1 1 7 ARG HB3 . 7 . HB1 1 1
52 1 2 1 1 8 CYS H . 8 . HN 1 1
53 1 1 1 1 7 ARG QG . 7 . HG* 1 1
53 1 2 1 1 8 CYS HB3 . 8 . HB1 1 1
54 1 1 1 1 8 CYS H . 8 . HN 1 1
54 1 2 1 1 9 ALA H . 9 . HN 1 1
55 1 1 1 1 8 CYS H . 8 . HN 1 1
55 1 2 1 1 9 ALA HA . 9 . HA 1 1
56 1 1 1 1 8 CYS H . 8 . HN 1 1
56 1 2 1 1 9 ALA MB . 9 . HB* 1 1
57 1 1 1 1 8 CYS HA . 8 . HA 1 1
57 1 2 1 1 9 ALA H . 9 . HN 1 1
58 1 1 1 1 8 CYS HA . 8 . HA 1 1
58 1 2 1 1 10 TRP H . 10 . HN 1 1
59 1 1 1 1 8 CYS HA . 8 . HA 1 1
59 1 2 1 1 10 TRP HD1 . 10 . HD1 1 1
60 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1
60 1 2 1 1 9 ALA H . 9 . HN 1 1
61 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1
61 1 2 1 1 9 ALA HA . 9 . HA 1 1
62 1 1 1 1 8 CYS HB3 . 8 . HB1 1 1
62 1 2 1 1 9 ALA H . 9 . HN 1 1
63 1 1 1 1 8 CYS HB3 . 8 . HB1 1 1
63 1 2 1 1 9 ALA HA . 9 . HA 1 1
64 1 1 1 1 9 ALA H . 9 . HN 1 1
64 1 2 1 1 9 ALA HA . 9 . HA 1 1
65 1 1 1 1 9 ALA H . 9 . HN 1 1
65 1 2 1 1 10 TRP H . 10 . HN 1 1
66 1 1 1 1 9 ALA HA . 9 . HA 1 1
66 1 2 1 1 10 TRP H . 10 . HN 1 1
67 1 1 1 1 9 ALA HA . 9 . HA 1 1
67 1 2 1 1 10 TRP HA . 10 . HA 1 1
68 1 1 1 1 9 ALA HA . 9 . HA 1 1
68 1 2 1 1 11 ARG H . 11 . HN 1 1
69 1 1 1 1 9 ALA HA . 9 . HA 1 1
69 1 2 1 1 12 CYS H . 12 . HN 1 1
70 1 1 1 1 9 ALA MB . 9 . HB* 1 1
70 1 2 1 1 10 TRP H . 10 . HN 1 1
71 1 1 1 1 9 ALA MB . 9 . HB* 1 1
71 1 2 1 1 10 TRP HA . 10 . HA 1 1
72 1 1 1 1 9 ALA MB . 9 . HB* 1 1
72 1 2 1 1 10 TRP HD1 . 10 . HD1 1 1
73 1 1 1 1 9 ALA MB . 9 . HB* 1 1
73 1 2 1 1 12 CYS H . 12 . HN 1 1
74 1 1 1 1 10 TRP H . 10 . HN 1 1
74 1 2 1 1 10 TRP HB2 . 10 . HB2 1 1
75 1 1 1 1 10 TRP H . 10 . HN 1 1
75 1 2 1 1 10 TRP HB3 . 10 . HB1 1 1
76 1 1 1 1 10 TRP H . 10 . HN 1 1
76 1 2 1 1 10 TRP HD1 . 10 . HD1 1 1
77 1 1 1 1 10 TRP H . 10 . HN 1 1
77 1 2 1 1 11 ARG H . 11 . HN 1 1
78 1 1 1 1 10 TRP H . 10 . HN 1 1
78 1 2 1 1 12 CYS H . 12 . HN 1 1
79 1 1 1 1 10 TRP HA . 10 . HA 1 1
79 1 2 1 1 10 TRP HB2 . 10 . HB2 1 1
80 1 1 1 1 10 TRP HA . 10 . HA 1 1
80 1 2 1 1 10 TRP HB3 . 10 . HB1 1 1
81 1 1 1 1 10 TRP HA . 10 . HA 1 1
81 1 2 1 1 10 TRP HD1 . 10 . HD1 1 1
82 1 1 1 1 10 TRP HA . 10 . HA 1 1
82 1 2 1 1 10 TRP HE3 . 10 . HE3 1 1
83 1 1 1 1 10 TRP HA . 10 . HA 1 1
83 1 2 1 1 11 ARG H . 11 . HN 1 1
84 1 1 1 1 10 TRP HB2 . 10 . HB2 1 1
84 1 2 1 1 10 TRP HE3 . 10 . HE3 1 1
85 1 1 1 1 10 TRP HB2 . 10 . HB2 1 1
85 1 2 1 1 11 ARG H . 11 . HN 1 1
86 1 1 1 1 10 TRP HB3 . 10 . HB1 1 1
86 1 2 1 1 10 TRP HD1 . 10 . HD1 1 1
87 1 1 1 1 10 TRP HB3 . 10 . HB1 1 1
87 1 2 1 1 11 ARG H . 11 . HN 1 1
88 1 1 1 1 10 TRP HB3 . 10 . HB1 1 1
88 1 2 1 1 12 CYS H . 12 . HN 1 1
89 1 1 1 1 10 TRP HD1 . 10 . HD1 1 1
89 1 2 1 1 11 ARG H . 11 . HN 1 1
90 1 1 1 1 10 TRP HE3 . 10 . HE3 1 1
90 1 2 1 1 11 ARG HA . 11 . HA 1 1
91 1 1 1 1 11 ARG H . 11 . HN 1 1
91 1 2 1 1 12 CYS H . 12 . HN 1 1
92 1 1 1 1 11 ARG HA . 11 . HA 1 1
92 1 2 1 1 12 CYS H . 12 . HN 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 0.0 0.0 2.7 1 1
2 1 . . . . . 0.0 0.0 5.0 1 1
3 1 . . . . . 0.0 0.0 2.7 1 1
4 1 . . . . . 0.0 0.0 5.0 1 1
5 1 . . . . . 0.0 0.0 2.7 1 1
6 1 . . . . . 0.0 0.0 2.7 1 1
7 1 . . . . . 0.0 0.0 2.7 1 1
8 1 . . . . . 0.0 0.0 3.5 1 1
9 1 . . . . . 0.0 0.0 4.5 1 1
10 1 . . . . . 0.0 0.0 4.5 1 1
11 1 . . . . . 0.0 0.0 5.0 1 1
12 1 . . . . . 0.0 0.0 5.0 1 1
13 1 . . . . . 0.0 0.0 5.0 1 1
14 1 . . . . . 0.0 0.0 3.5 1 1
15 1 . . . . . 0.0 0.0 3.5 1 1
16 1 . . . . . 0.0 0.0 3.5 1 1
17 1 . . . . . 0.0 0.0 3.5 1 1
18 1 . . . . . 0.0 0.0 5.0 1 1
19 1 . . . . . 0.0 0.0 5.0 1 1
20 1 . . . . . 0.0 0.0 5.0 1 1
21 1 . . . . . 0.0 0.0 3.5 1 1
22 1 . . . . . 0.0 0.0 5.0 1 1
23 1 . . . . . 0.0 0.0 6.0 1 1
24 1 . . . . . 0.0 0.0 6.0 1 1
25 1 . . . . . 0.0 0.0 6.0 1 1
26 1 . . . . . 0.0 0.0 5.0 1 1
27 1 . . . . . 0.0 0.0 6.0 1 1
28 1 . . . . . 0.0 0.0 6.0 1 1
29 1 . . . . . 0.0 0.0 6.0 1 1
30 1 . . . . . 0.0 0.0 5.0 1 1
31 1 . . . . . 0.0 0.0 2.7 1 1
32 1 . . . . . 0.0 0.0 3.5 1 1
33 1 . . . . . 0.0 0.0 2.7 1 1
34 1 . . . . . 0.0 0.0 2.7 1 1
35 1 . . . . . 0.0 0.0 6.0 1 1
36 1 . . . . . 0.0 0.0 5.0 1 1
37 1 . . . . . 0.0 0.0 5.0 1 1
38 1 . . . . . 0.0 0.0 5.0 1 1
39 1 . . . . . 0.0 0.0 3.5 1 1
40 1 . . . . . 0.0 0.0 5.0 1 1
41 1 . . . . . 0.0 0.0 5.0 1 1
42 1 . . . . . 0.0 0.0 5.0 1 1
43 1 . . . . . 0.0 0.0 5.0 1 1
44 1 . . . . . 0.0 0.0 5.0 1 1
45 1 . . . . . 0.0 0.0 7.0 1 1
46 1 . . . . . 0.0 0.0 3.5 1 1
47 1 . . . . . 0.0 0.0 3.5 1 1
48 1 . . . . . 0.0 0.0 2.7 1 1
49 1 . . . . . 0.0 0.0 3.5 1 1
50 1 . . . . . 0.0 0.0 6.0 1 1
51 1 . . . . . 0.0 0.0 5.0 1 1
52 1 . . . . . 0.0 0.0 5.0 1 1
53 1 . . . . . 0.0 0.0 7.0 1 1
54 1 . . . . . 0.0 0.0 2.7 1 1
55 1 . . . . . 0.0 0.0 5.0 1 1
56 1 . . . . . 0.0 0.0 6.5 1 1
57 1 . . . . . 0.0 0.0 3.5 1 1
58 1 . . . . . 0.0 0.0 5.0 1 1
59 1 . . . . . 0.0 0.0 3.5 1 1
60 1 . . . . . 0.0 0.0 6.0 1 1
61 1 . . . . . 0.0 0.0 5.0 1 1
62 1 . . . . . 0.0 0.0 6.0 1 1
63 1 . . . . . 0.0 0.0 5.0 1 1
64 1 . . . . . 0.0 0.0 2.7 1 1
65 1 . . . . . 0.0 0.0 3.5 1 1
66 1 . . . . . 0.0 0.0 3.5 1 1
67 1 . . . . . 0.0 0.0 5.0 1 1
68 1 . . . . . 0.0 0.0 5.0 1 1
69 1 . . . . . 0.0 0.0 5.0 1 1
70 1 . . . . . 0.0 0.0 6.5 1 1
71 1 . . . . . 0.0 0.0 6.5 1 1
72 1 . . . . . 0.0 0.0 7.0 1 1
73 1 . . . . . 0.0 0.0 6.5 1 1
74 1 . . . . . 0.0 0.0 3.5 1 1
75 1 . . . . . 0.0 0.0 3.5 1 1
76 1 . . . . . 0.0 0.0 3.5 1 1
77 1 . . . . . 0.0 0.0 3.5 1 1
78 1 . . . . . 0.0 0.0 6.0 1 1
79 1 . . . . . 0.0 0.0 2.7 1 1
80 1 . . . . . 0.0 0.0 2.7 1 1
81 1 . . . . . 0.0 0.0 4.0 1 1
82 1 . . . . . 0.0 0.0 5.5 1 1
83 1 . . . . . 0.0 0.0 2.7 1 1
84 1 . . . . . 0.0 0.0 3.5 1 1
85 1 . . . . . 0.0 0.0 5.0 1 1
86 1 . . . . . 0.0 0.0 3.5 1 1
87 1 . . . . . 0.0 0.0 5.0 1 1
88 1 . . . . . 0.0 0.0 5.0 1 1
89 1 . . . . . 0.0 0.0 6.0 1 1
90 1 . . . . . 0.0 0.0 6.5 1 1
91 1 . . . . . 0.0 0.0 3.5 1 1
92 1 . . . . . 0.0 0.0 3.5 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 GLY C C -2.389 -4.263 2.423 1.00 . A A . 1 GLY C 1 1
1 2 1 1 1 GLY CA C -2.485 -5.678 1.841 1.00 . A A . 1 GLY CA 1 1
1 3 1 1 1 GLY H1 H -4.419 -5.164 1.267 1.00 . A A . 1 GLY H1 1 1
1 4 1 1 1 GLY H2 H -3.924 -6.697 0.732 1.00 . A A . 1 GLY H2 1 1
1 5 1 1 1 GLY H3 H -4.343 -6.459 2.361 1.00 . A A . 1 GLY H3 1 1
1 6 1 1 1 GLY HA2 H -2.101 -6.385 2.561 1.00 . A A . 1 GLY HA2 1 1
1 7 1 1 1 GLY HA3 H -1.900 -5.730 0.935 1.00 . A A . 1 GLY HA3 1 1
1 8 1 1 1 GLY N N -3.900 -6.026 1.526 1.00 . A A . 1 GLY N 1 1
1 9 1 1 1 GLY O O -3.382 -3.578 2.573 1.00 . A A . 1 GLY O 1 1
1 10 1 1 2 CYS C C -1.142 -1.487 2.187 1.00 . A A . 2 CYS C 1 1
1 11 1 1 2 CYS CA C -0.951 -2.506 3.309 1.00 . A A . 2 CYS CA 1 1
1 12 1 1 2 CYS CB C 0.473 -2.470 3.895 1.00 . A A . 2 CYS CB 1 1
1 13 1 1 2 CYS H H -0.417 -4.466 2.590 1.00 . A A . 2 CYS H 1 1
1 14 1 1 2 CYS HA H -1.676 -2.297 4.076 1.00 . A A . 2 CYS HA 1 1
1 15 1 1 2 CYS HB2 H 0.608 -3.349 4.505 1.00 . A A . 2 CYS HB2 1 1
1 16 1 1 2 CYS HB3 H 1.185 -2.533 3.086 1.00 . A A . 2 CYS HB3 1 1
1 17 1 1 2 CYS N N -1.179 -3.867 2.735 1.00 . A A . 2 CYS N 1 1
1 18 1 1 2 CYS O O -2.012 -0.643 2.289 1.00 . A A . 2 CYS O 1 1
1 19 1 1 2 CYS SG S 0.907 -1.032 4.906 1.00 . A A . 2 CYS SG 1 1
1 20 1 1 3 CYS C C -1.794 -0.813 -0.726 1.00 . A A . 3 CYS C 1 1
1 21 1 1 3 CYS CA C -0.461 -0.637 0.005 1.00 . A A . 3 CYS CA 1 1
1 22 1 1 3 CYS CB C 0.698 -0.854 -0.986 1.00 . A A . 3 CYS CB 1 1
1 23 1 1 3 CYS H H 0.335 -2.303 1.157 1.00 . A A . 3 CYS H 1 1
1 24 1 1 3 CYS HA H -0.429 0.371 0.383 1.00 . A A . 3 CYS HA 1 1
1 25 1 1 3 CYS HB2 H 1.559 -0.365 -0.567 1.00 . A A . 3 CYS HB2 1 1
1 26 1 1 3 CYS HB3 H 0.938 -1.898 -1.063 1.00 . A A . 3 CYS HB3 1 1
1 27 1 1 3 CYS N N -0.339 -1.593 1.156 1.00 . A A . 3 CYS N 1 1
1 28 1 1 3 CYS O O -2.163 0.040 -1.510 1.00 . A A . 3 CYS O 1 1
1 29 1 1 3 CYS SG S 0.514 -0.165 -2.650 1.00 . A A . 3 CYS SG 1 1
1 30 1 1 4 SER C C -4.682 -0.924 -0.810 1.00 . A A . 4 SER C 1 1
1 31 1 1 4 SER CA C -3.809 -2.159 -1.116 1.00 . A A . 4 SER CA 1 1
1 32 1 1 4 SER CB C -4.435 -3.424 -0.515 1.00 . A A . 4 SER CB 1 1
1 33 1 1 4 SER H H -2.126 -2.557 0.182 1.00 . A A . 4 SER H 1 1
1 34 1 1 4 SER HA H -3.667 -2.251 -2.184 1.00 . A A . 4 SER HA 1 1
1 35 1 1 4 SER HB2 H -3.800 -4.286 -0.656 1.00 . A A . 4 SER HB2 1 1
1 36 1 1 4 SER HB3 H -4.669 -3.297 0.530 1.00 . A A . 4 SER HB3 1 1
1 37 1 1 4 SER HG H -6.227 -2.870 -1.028 1.00 . A A . 4 SER HG 1 1
1 38 1 1 4 SER N N -2.482 -1.904 -0.455 1.00 . A A . 4 SER N 1 1
1 39 1 1 4 SER O O -5.558 -0.547 -1.563 1.00 . A A . 4 SER O 1 1
1 40 1 1 4 SER OG O -5.642 -3.600 -1.244 1.00 . A A . 4 SER OG 1 1
1 41 1 1 5 ASP C C -3.893 1.901 0.798 1.00 . A A . 5 ASP C 1 1
1 42 1 1 5 ASP CA C -5.029 0.857 0.867 1.00 . A A . 5 ASP CA 1 1
1 43 1 1 5 ASP CB C -5.439 0.614 2.318 1.00 . A A . 5 ASP CB 1 1
1 44 1 1 5 ASP CG C -6.279 -0.669 2.419 1.00 . A A . 5 ASP CG 1 1
1 45 1 1 5 ASP H H -3.644 -0.755 0.858 1.00 . A A . 5 ASP H 1 1
1 46 1 1 5 ASP HA H -5.862 1.140 0.241 1.00 . A A . 5 ASP HA 1 1
1 47 1 1 5 ASP HB2 H -4.559 0.501 2.932 1.00 . A A . 5 ASP HB2 1 1
1 48 1 1 5 ASP HB3 H -6.015 1.450 2.688 1.00 . A A . 5 ASP HB3 1 1
1 49 1 1 5 ASP N N -4.364 -0.357 0.326 1.00 . A A . 5 ASP N 1 1
1 50 1 1 5 ASP O O -2.765 1.563 1.101 1.00 . A A . 5 ASP O 1 1
1 51 1 1 5 ASP OD1 O -5.656 -1.705 2.588 1.00 . A A . 5 ASP OD1 1 1
1 52 1 1 5 ASP OD2 O -7.488 -0.540 2.321 1.00 . A A . 5 ASP OD2 1 1
1 53 1 1 6 PRO C C -2.362 4.522 1.491 1.00 . A A . 6 PRO C 1 1
1 54 1 1 6 PRO CA C -3.083 4.128 0.193 1.00 . A A . 6 PRO CA 1 1
1 55 1 1 6 PRO CB C -3.769 5.318 -0.481 1.00 . A A . 6 PRO CB 1 1
1 56 1 1 6 PRO CD C -5.530 3.671 0.152 1.00 . A A . 6 PRO CD 1 1
1 57 1 1 6 PRO CG C -5.286 5.127 -0.288 1.00 . A A . 6 PRO CG 1 1
1 58 1 1 6 PRO HA H -2.335 3.667 -0.441 1.00 . A A . 6 PRO HA 1 1
1 59 1 1 6 PRO HB2 H -3.451 6.254 -0.045 1.00 . A A . 6 PRO HB2 1 1
1 60 1 1 6 PRO HB3 H -3.531 5.328 -1.536 1.00 . A A . 6 PRO HB3 1 1
1 61 1 1 6 PRO HD2 H -6.120 3.622 1.057 1.00 . A A . 6 PRO HD2 1 1
1 62 1 1 6 PRO HD3 H -6.004 3.106 -0.637 1.00 . A A . 6 PRO HD3 1 1
1 63 1 1 6 PRO HG2 H -5.650 5.806 0.470 1.00 . A A . 6 PRO HG2 1 1
1 64 1 1 6 PRO HG3 H -5.806 5.328 -1.214 1.00 . A A . 6 PRO HG3 1 1
1 65 1 1 6 PRO N N -4.167 3.126 0.413 1.00 . A A . 6 PRO N 1 1
1 66 1 1 6 PRO O O -1.439 5.313 1.457 1.00 . A A . 6 PRO O 1 1
1 67 1 1 7 ARG C C -0.673 3.947 3.827 1.00 . A A . 7 ARG C 1 1
1 68 1 1 7 ARG CA C -2.182 4.251 3.918 1.00 . A A . 7 ARG CA 1 1
1 69 1 1 7 ARG CB C -2.868 3.357 4.985 1.00 . A A . 7 ARG CB 1 1
1 70 1 1 7 ARG CD C -3.451 0.957 5.618 1.00 . A A . 7 ARG CD 1 1
1 71 1 1 7 ARG CG C -2.632 1.850 4.673 1.00 . A A . 7 ARG CG 1 1
1 72 1 1 7 ARG CZ C -5.808 0.254 5.450 1.00 . A A . 7 ARG CZ 1 1
1 73 1 1 7 ARG H H -3.557 3.333 2.543 1.00 . A A . 7 ARG H 1 1
1 74 1 1 7 ARG HA H -2.322 5.297 4.151 1.00 . A A . 7 ARG HA 1 1
1 75 1 1 7 ARG HB2 H -2.467 3.591 5.960 1.00 . A A . 7 ARG HB2 1 1
1 76 1 1 7 ARG HB3 H -3.926 3.573 4.992 1.00 . A A . 7 ARG HB3 1 1
1 77 1 1 7 ARG HD2 H -3.214 -0.078 5.416 1.00 . A A . 7 ARG HD2 1 1
1 78 1 1 7 ARG HD3 H -3.228 1.180 6.651 1.00 . A A . 7 ARG HD3 1 1
1 79 1 1 7 ARG HE H -5.202 2.109 5.133 1.00 . A A . 7 ARG HE 1 1
1 80 1 1 7 ARG HG2 H -2.897 1.636 3.650 1.00 . A A . 7 ARG HG2 1 1
1 81 1 1 7 ARG HG3 H -1.586 1.613 4.809 1.00 . A A . 7 ARG HG3 1 1
1 82 1 1 7 ARG HH11 H -4.522 -1.206 5.946 1.00 . A A . 7 ARG HH11 1 1
1 83 1 1 7 ARG HH12 H -6.181 -1.676 5.813 1.00 . A A . 7 ARG HH12 1 1
1 84 1 1 7 ARG HH21 H -7.285 1.517 4.972 1.00 . A A . 7 ARG HH21 1 1
1 85 1 1 7 ARG HH22 H -7.765 -0.124 5.259 1.00 . A A . 7 ARG HH22 1 1
1 86 1 1 7 ARG N N -2.804 3.958 2.590 1.00 . A A . 7 ARG N 1 1
1 87 1 1 7 ARG NE N -4.909 1.205 5.369 1.00 . A A . 7 ARG NE 1 1
1 88 1 1 7 ARG NH1 N -5.476 -0.970 5.761 1.00 . A A . 7 ARG NH1 1 1
1 89 1 1 7 ARG NH2 N -7.050 0.574 5.209 1.00 . A A . 7 ARG NH2 1 1
1 90 1 1 7 ARG O O 0.141 4.590 4.458 1.00 . A A . 7 ARG O 1 1
1 91 1 1 8 CYS C C 1.525 3.099 1.461 1.00 . A A . 8 CYS C 1 1
1 92 1 1 8 CYS CA C 1.015 2.493 2.781 1.00 . A A . 8 CYS CA 1 1
1 93 1 1 8 CYS CB C 0.975 0.984 2.702 1.00 . A A . 8 CYS CB 1 1
1 94 1 1 8 CYS H H -1.102 2.481 2.552 1.00 . A A . 8 CYS H 1 1
1 95 1 1 8 CYS HA H 1.653 2.811 3.594 1.00 . A A . 8 CYS HA 1 1
1 96 1 1 8 CYS HB2 H -0.030 0.685 2.953 1.00 . A A . 8 CYS HB2 1 1
1 97 1 1 8 CYS HB3 H 1.122 0.687 1.678 1.00 . A A . 8 CYS HB3 1 1
1 98 1 1 8 CYS N N -0.381 2.955 3.021 1.00 . A A . 8 CYS N 1 1
1 99 1 1 8 CYS O O 2.487 3.841 1.430 1.00 . A A . 8 CYS O 1 1
1 100 1 1 8 CYS SG S 2.135 0.024 3.704 1.00 . A A . 8 CYS SG 1 1
1 101 1 1 9 ALA C C 2.570 2.950 -1.458 1.00 . A A . 9 ALA C 1 1
1 102 1 1 9 ALA CA C 1.117 3.185 -0.979 1.00 . A A . 9 ALA CA 1 1
1 103 1 1 9 ALA CB C 0.759 4.687 -1.070 1.00 . A A . 9 ALA CB 1 1
1 104 1 1 9 ALA H H 0.066 2.129 0.557 1.00 . A A . 9 ALA H 1 1
1 105 1 1 9 ALA HA H 0.462 2.635 -1.638 1.00 . A A . 9 ALA HA 1 1
1 106 1 1 9 ALA HB1 H -0.286 4.827 -0.839 1.00 . A A . 9 ALA HB1 1 1
1 107 1 1 9 ALA HB2 H 1.351 5.261 -0.374 1.00 . A A . 9 ALA HB2 1 1
1 108 1 1 9 ALA HB3 H 0.941 5.054 -2.070 1.00 . A A . 9 ALA HB3 1 1
1 109 1 1 9 ALA N N 0.824 2.733 0.415 1.00 . A A . 9 ALA N 1 1
1 110 1 1 9 ALA O O 3.124 3.779 -2.156 1.00 . A A . 9 ALA O 1 1
1 111 1 1 10 TRP C C 4.587 0.779 -2.850 1.00 . A A . 10 TRP C 1 1
1 112 1 1 10 TRP CA C 4.566 1.546 -1.516 1.00 . A A . 10 TRP CA 1 1
1 113 1 1 10 TRP CB C 5.312 0.724 -0.408 1.00 . A A . 10 TRP CB 1 1
1 114 1 1 10 TRP CD1 C 3.471 -0.295 0.975 1.00 . A A . 10 TRP CD1 1 1
1 115 1 1 10 TRP CD2 C 4.567 -1.776 -0.246 1.00 . A A . 10 TRP CD2 1 1
1 116 1 1 10 TRP CE2 C 3.577 -2.458 0.467 1.00 . A A . 10 TRP CE2 1 1
1 117 1 1 10 TRP CE3 C 5.412 -2.488 -1.097 1.00 . A A . 10 TRP CE3 1 1
1 118 1 1 10 TRP CG C 4.477 -0.455 0.086 1.00 . A A . 10 TRP CG 1 1
1 119 1 1 10 TRP CH2 C 4.279 -4.539 -0.523 1.00 . A A . 10 TRP CH2 1 1
1 120 1 1 10 TRP CZ2 C 3.433 -3.835 0.329 1.00 . A A . 10 TRP CZ2 1 1
1 121 1 1 10 TRP CZ3 C 5.267 -3.866 -1.235 1.00 . A A . 10 TRP CZ3 1 1
1 122 1 1 10 TRP H H 2.669 1.199 -0.517 1.00 . A A . 10 TRP H 1 1
1 123 1 1 10 TRP HA H 5.083 2.476 -1.639 1.00 . A A . 10 TRP HA 1 1
1 124 1 1 10 TRP HB2 H 6.255 0.351 -0.782 1.00 . A A . 10 TRP HB2 1 1
1 125 1 1 10 TRP HB3 H 5.519 1.369 0.434 1.00 . A A . 10 TRP HB3 1 1
1 126 1 1 10 TRP HD1 H 3.166 0.639 1.417 1.00 . A A . 10 TRP HD1 1 1
1 127 1 1 10 TRP HE1 H 2.241 -1.677 1.758 1.00 . A A . 10 TRP HE1 1 1
1 128 1 1 10 TRP HE3 H 6.184 -1.975 -1.652 1.00 . A A . 10 TRP HE3 1 1
1 129 1 1 10 TRP HH2 H 4.167 -5.608 -0.633 1.00 . A A . 10 TRP HH2 1 1
1 130 1 1 10 TRP HZ2 H 2.665 -4.356 0.882 1.00 . A A . 10 TRP HZ2 1 1
1 131 1 1 10 TRP HZ3 H 5.924 -4.412 -1.895 1.00 . A A . 10 TRP HZ3 1 1
1 132 1 1 10 TRP N N 3.155 1.836 -1.081 1.00 . A A . 10 TRP N 1 1
1 133 1 1 10 TRP NE1 N 2.991 -1.500 1.153 1.00 . A A . 10 TRP NE1 1 1
1 134 1 1 10 TRP O O 5.283 -0.203 -3.015 1.00 . A A . 10 TRP O 1 1
1 135 1 1 11 ARG C C 3.097 -0.749 -5.130 1.00 . A A . 11 ARG C 1 1
1 136 1 1 11 ARG CA C 3.664 0.689 -5.147 1.00 . A A . 11 ARG CA 1 1
1 137 1 1 11 ARG CB C 5.078 0.730 -5.820 1.00 . A A . 11 ARG CB 1 1
1 138 1 1 11 ARG CD C 6.396 0.601 -7.970 1.00 . A A . 11 ARG CD 1 1
1 139 1 1 11 ARG CG C 4.996 0.452 -7.344 1.00 . A A . 11 ARG CG 1 1
1 140 1 1 11 ARG CZ C 8.054 2.398 -8.151 1.00 . A A . 11 ARG CZ 1 1
1 141 1 1 11 ARG H H 3.268 2.073 -3.553 1.00 . A A . 11 ARG H 1 1
1 142 1 1 11 ARG HA H 2.983 1.312 -5.708 1.00 . A A . 11 ARG HA 1 1
1 143 1 1 11 ARG HB2 H 5.516 1.703 -5.650 1.00 . A A . 11 ARG HB2 1 1
1 144 1 1 11 ARG HB3 H 5.720 -0.013 -5.370 1.00 . A A . 11 ARG HB3 1 1
1 145 1 1 11 ARG HD2 H 7.098 -0.065 -7.487 1.00 . A A . 11 ARG HD2 1 1
1 146 1 1 11 ARG HD3 H 6.360 0.376 -9.025 1.00 . A A . 11 ARG HD3 1 1
1 147 1 1 11 ARG HE H 6.245 2.669 -7.389 1.00 . A A . 11 ARG HE 1 1
1 148 1 1 11 ARG HG2 H 4.652 -0.552 -7.530 1.00 . A A . 11 ARG HG2 1 1
1 149 1 1 11 ARG HG3 H 4.313 1.147 -7.810 1.00 . A A . 11 ARG HG3 1 1
1 150 1 1 11 ARG HH11 H 8.621 0.597 -8.825 1.00 . A A . 11 ARG HH11 1 1
1 151 1 1 11 ARG HH12 H 9.803 1.854 -8.958 1.00 . A A . 11 ARG HH12 1 1
1 152 1 1 11 ARG HH21 H 7.725 4.277 -7.548 1.00 . A A . 11 ARG HH21 1 1
1 153 1 1 11 ARG HH22 H 9.290 3.970 -8.225 1.00 . A A . 11 ARG HH22 1 1
1 154 1 1 11 ARG N N 3.797 1.278 -3.772 1.00 . A A . 11 ARG N 1 1
1 155 1 1 11 ARG NE N 6.854 2.015 -7.788 1.00 . A A . 11 ARG NE 1 1
1 156 1 1 11 ARG NH1 N 8.891 1.549 -8.686 1.00 . A A . 11 ARG NH1 1 1
1 157 1 1 11 ARG NH2 N 8.382 3.646 -7.959 1.00 . A A . 11 ARG NH2 1 1
1 158 1 1 11 ARG O O 2.941 -1.353 -6.173 1.00 . A A . 11 ARG O 1 1
1 159 1 1 12 CYS C C 3.127 -3.710 -4.449 1.00 . A A . 12 CYS C 1 1
1 160 1 1 12 CYS CA C 2.240 -2.635 -3.787 1.00 . A A . 12 CYS CA 1 1
1 161 1 1 12 CYS CB C 0.809 -2.665 -4.392 1.00 . A A . 12 CYS CB 1 1
1 162 1 1 12 CYS H H 2.942 -0.705 -3.152 1.00 . A A . 12 CYS H 1 1
1 163 1 1 12 CYS HA H 2.184 -2.850 -2.729 1.00 . A A . 12 CYS HA 1 1
1 164 1 1 12 CYS HB2 H 0.858 -2.398 -5.436 1.00 . A A . 12 CYS HB2 1 1
1 165 1 1 12 CYS HB3 H 0.451 -3.683 -4.341 1.00 . A A . 12 CYS HB3 1 1
1 166 1 1 12 CYS N N 2.799 -1.252 -3.953 1.00 . A A . 12 CYS N 1 1
1 167 1 1 12 CYS O O 4.014 -4.268 -3.836 1.00 . A A . 12 CYS O 1 1
1 168 1 1 12 CYS SG S -0.469 -1.626 -3.640 1.00 . A A . 12 CYS SG 1 1
1 169 1 1 13 NH2 HN1 H 2.221 -3.608 -6.215 1.00 . A A . 13 NH2 HN1 1 1
1 170 1 1 13 NH2 HN2 H 3.494 -4.724 -6.116 1.00 . A A . 13 NH2 HN2 1 1
1 171 1 1 13 NH2 N N 2.931 -4.041 -5.697 1.00 . A A . 13 NH2 N 1 1
2 172 1 1 1 GLY C C -2.481 -4.208 2.478 1.00 . A A . 1 GLY C 1 1
2 173 1 1 1 GLY CA C -2.853 -5.552 1.852 1.00 . A A . 1 GLY CA 1 1
2 174 1 1 1 GLY H1 H -4.469 -5.892 3.118 1.00 . A A . 1 GLY H1 1 1
2 175 1 1 1 GLY H2 H -4.883 -5.133 1.656 1.00 . A A . 1 GLY H2 1 1
2 176 1 1 1 GLY H3 H -4.518 -6.792 1.679 1.00 . A A . 1 GLY H3 1 1
2 177 1 1 1 GLY HA2 H -2.237 -6.324 2.288 1.00 . A A . 1 GLY HA2 1 1
2 178 1 1 1 GLY HA3 H -2.676 -5.512 0.788 1.00 . A A . 1 GLY HA3 1 1
2 179 1 1 1 GLY N N -4.290 -5.867 2.095 1.00 . A A . 1 GLY N 1 1
2 180 1 1 1 GLY O O -3.332 -3.467 2.934 1.00 . A A . 1 GLY O 1 1
2 181 1 1 2 CYS C C -0.991 -1.607 2.002 1.00 . A A . 2 CYS C 1 1
2 182 1 1 2 CYS CA C -0.670 -2.669 3.041 1.00 . A A . 2 CYS CA 1 1
2 183 1 1 2 CYS CB C 0.851 -2.868 3.272 1.00 . A A . 2 CYS CB 1 1
2 184 1 1 2 CYS H H -0.566 -4.575 2.078 1.00 . A A . 2 CYS H 1 1
2 185 1 1 2 CYS HA H -1.179 -2.406 3.956 1.00 . A A . 2 CYS HA 1 1
2 186 1 1 2 CYS HB2 H 0.958 -3.717 3.933 1.00 . A A . 2 CYS HB2 1 1
2 187 1 1 2 CYS HB3 H 1.309 -3.147 2.336 1.00 . A A . 2 CYS HB3 1 1
2 188 1 1 2 CYS N N -1.200 -3.938 2.471 1.00 . A A . 2 CYS N 1 1
2 189 1 1 2 CYS O O -1.893 -0.819 2.210 1.00 . A A . 2 CYS O 1 1
2 190 1 1 2 CYS SG S 1.833 -1.531 3.996 1.00 . A A . 2 CYS SG 1 1
2 191 1 1 3 CYS C C -1.865 -0.802 -0.825 1.00 . A A . 3 CYS C 1 1
2 192 1 1 3 CYS CA C -0.488 -0.631 -0.178 1.00 . A A . 3 CYS CA 1 1
2 193 1 1 3 CYS CB C 0.624 -0.793 -1.214 1.00 . A A . 3 CYS CB 1 1
2 194 1 1 3 CYS H H 0.430 -2.323 0.837 1.00 . A A . 3 CYS H 1 1
2 195 1 1 3 CYS HA H -0.435 0.362 0.237 1.00 . A A . 3 CYS HA 1 1
2 196 1 1 3 CYS HB2 H 1.455 -0.193 -0.884 1.00 . A A . 3 CYS HB2 1 1
2 197 1 1 3 CYS HB3 H 0.948 -1.813 -1.186 1.00 . A A . 3 CYS HB3 1 1
2 198 1 1 3 CYS N N -0.261 -1.631 0.917 1.00 . A A . 3 CYS N 1 1
2 199 1 1 3 CYS O O -2.287 0.062 -1.570 1.00 . A A . 3 CYS O 1 1
2 200 1 1 3 CYS SG S 0.296 -0.301 -2.925 1.00 . A A . 3 CYS SG 1 1
2 201 1 1 4 SER C C -4.747 -0.940 -0.715 1.00 . A A . 4 SER C 1 1
2 202 1 1 4 SER CA C -3.891 -2.163 -1.103 1.00 . A A . 4 SER CA 1 1
2 203 1 1 4 SER CB C -4.458 -3.446 -0.478 1.00 . A A . 4 SER CB 1 1
2 204 1 1 4 SER H H -2.122 -2.563 0.073 1.00 . A A . 4 SER H 1 1
2 205 1 1 4 SER HA H -3.823 -2.236 -2.179 1.00 . A A . 4 SER HA 1 1
2 206 1 1 4 SER HB2 H -3.850 -4.304 -0.725 1.00 . A A . 4 SER HB2 1 1
2 207 1 1 4 SER HB3 H -4.564 -3.359 0.592 1.00 . A A . 4 SER HB3 1 1
2 208 1 1 4 SER HG H -5.633 -3.587 -2.024 1.00 . A A . 4 SER HG 1 1
2 209 1 1 4 SER N N -2.525 -1.903 -0.529 1.00 . A A . 4 SER N 1 1
2 210 1 1 4 SER O O -5.662 -0.541 -1.410 1.00 . A A . 4 SER O 1 1
2 211 1 1 4 SER OG O -5.741 -3.596 -1.070 1.00 . A A . 4 SER OG 1 1
2 212 1 1 5 ASP C C -3.849 1.803 0.948 1.00 . A A . 5 ASP C 1 1
2 213 1 1 5 ASP CA C -5.001 0.782 1.038 1.00 . A A . 5 ASP CA 1 1
2 214 1 1 5 ASP CB C -5.344 0.492 2.500 1.00 . A A . 5 ASP CB 1 1
2 215 1 1 5 ASP CG C -6.288 -0.717 2.592 1.00 . A A . 5 ASP CG 1 1
2 216 1 1 5 ASP H H -3.623 -0.829 0.899 1.00 . A A . 5 ASP H 1 1
2 217 1 1 5 ASP HA H -5.859 1.097 0.464 1.00 . A A . 5 ASP HA 1 1
2 218 1 1 5 ASP HB2 H -4.442 0.270 3.053 1.00 . A A . 5 ASP HB2 1 1
2 219 1 1 5 ASP HB3 H -5.818 1.356 2.943 1.00 . A A . 5 ASP HB3 1 1
2 220 1 1 5 ASP N N -4.369 -0.411 0.420 1.00 . A A . 5 ASP N 1 1
2 221 1 1 5 ASP O O -2.761 1.493 1.393 1.00 . A A . 5 ASP O 1 1
2 222 1 1 5 ASP OD1 O -5.774 -1.819 2.475 1.00 . A A . 5 ASP OD1 1 1
2 223 1 1 5 ASP OD2 O -7.469 -0.471 2.774 1.00 . A A . 5 ASP OD2 1 1
2 224 1 1 6 PRO C C -2.271 4.435 1.408 1.00 . A A . 6 PRO C 1 1
2 225 1 1 6 PRO CA C -2.942 3.924 0.127 1.00 . A A . 6 PRO CA 1 1
2 226 1 1 6 PRO CB C -3.560 5.054 -0.704 1.00 . A A . 6 PRO CB 1 1
2 227 1 1 6 PRO CD C -5.393 3.506 -0.027 1.00 . A A . 6 PRO CD 1 1
2 228 1 1 6 PRO CG C -5.091 4.901 -0.602 1.00 . A A . 6 PRO CG 1 1
2 229 1 1 6 PRO HA H -2.173 3.381 -0.417 1.00 . A A . 6 PRO HA 1 1
2 230 1 1 6 PRO HB2 H -3.258 6.023 -0.334 1.00 . A A . 6 PRO HB2 1 1
2 231 1 1 6 PRO HB3 H -3.249 4.962 -1.734 1.00 . A A . 6 PRO HB3 1 1
2 232 1 1 6 PRO HD2 H -6.049 3.563 0.831 1.00 . A A . 6 PRO HD2 1 1
2 233 1 1 6 PRO HD3 H -5.819 2.862 -0.782 1.00 . A A . 6 PRO HD3 1 1
2 234 1 1 6 PRO HG2 H -5.495 5.663 0.048 1.00 . A A . 6 PRO HG2 1 1
2 235 1 1 6 PRO HG3 H -5.539 5.004 -1.580 1.00 . A A . 6 PRO HG3 1 1
2 236 1 1 6 PRO N N -4.064 2.975 0.395 1.00 . A A . 6 PRO N 1 1
2 237 1 1 6 PRO O O -1.356 5.233 1.334 1.00 . A A . 6 PRO O 1 1
2 238 1 1 7 ARG C C -0.651 4.022 3.778 1.00 . A A . 7 ARG C 1 1
2 239 1 1 7 ARG CA C -2.150 4.393 3.851 1.00 . A A . 7 ARG CA 1 1
2 240 1 1 7 ARG CB C -2.880 3.626 4.985 1.00 . A A . 7 ARG CB 1 1
2 241 1 1 7 ARG CD C -3.424 1.317 5.951 1.00 . A A . 7 ARG CD 1 1
2 242 1 1 7 ARG CG C -2.582 2.098 4.919 1.00 . A A . 7 ARG CG 1 1
2 243 1 1 7 ARG CZ C -5.776 2.075 5.854 1.00 . A A . 7 ARG CZ 1 1
2 244 1 1 7 ARG H H -3.488 3.337 2.539 1.00 . A A . 7 ARG H 1 1
2 245 1 1 7 ARG HA H -2.256 5.463 3.965 1.00 . A A . 7 ARG HA 1 1
2 246 1 1 7 ARG HB2 H -2.565 4.015 5.942 1.00 . A A . 7 ARG HB2 1 1
2 247 1 1 7 ARG HB3 H -3.941 3.797 4.880 1.00 . A A . 7 ARG HB3 1 1
2 248 1 1 7 ARG HD2 H -3.040 0.311 6.039 1.00 . A A . 7 ARG HD2 1 1
2 249 1 1 7 ARG HD3 H -3.384 1.786 6.923 1.00 . A A . 7 ARG HD3 1 1
2 250 1 1 7 ARG HE H -5.086 0.526 4.847 1.00 . A A . 7 ARG HE 1 1
2 251 1 1 7 ARG HG2 H -2.794 1.723 3.929 1.00 . A A . 7 ARG HG2 1 1
2 252 1 1 7 ARG HG3 H -1.537 1.924 5.132 1.00 . A A . 7 ARG HG3 1 1
2 253 1 1 7 ARG HH11 H -4.592 3.168 7.051 1.00 . A A . 7 ARG HH11 1 1
2 254 1 1 7 ARG HH12 H -6.245 3.671 6.965 1.00 . A A . 7 ARG HH12 1 1
2 255 1 1 7 ARG HH21 H -7.149 1.151 4.729 1.00 . A A . 7 ARG HH21 1 1
2 256 1 1 7 ARG HH22 H -7.715 2.517 5.633 1.00 . A A . 7 ARG HH22 1 1
2 257 1 1 7 ARG N N -2.740 3.970 2.542 1.00 . A A . 7 ARG N 1 1
2 258 1 1 7 ARG NE N -4.841 1.238 5.473 1.00 . A A . 7 ARG NE 1 1
2 259 1 1 7 ARG NH1 N -5.515 3.047 6.689 1.00 . A A . 7 ARG NH1 1 1
2 260 1 1 7 ARG NH2 N -6.974 1.901 5.367 1.00 . A A . 7 ARG NH2 1 1
2 261 1 1 7 ARG O O 0.203 4.662 4.361 1.00 . A A . 7 ARG O 1 1
2 262 1 1 8 CYS C C 1.483 2.987 1.479 1.00 . A A . 8 CYS C 1 1
2 263 1 1 8 CYS CA C 0.907 2.378 2.773 1.00 . A A . 8 CYS CA 1 1
2 264 1 1 8 CYS CB C 0.630 0.910 2.685 1.00 . A A . 8 CYS CB 1 1
2 265 1 1 8 CYS H H -1.173 2.492 2.601 1.00 . A A . 8 CYS H 1 1
2 266 1 1 8 CYS HA H 1.568 2.593 3.600 1.00 . A A . 8 CYS HA 1 1
2 267 1 1 8 CYS HB2 H -0.352 0.847 2.254 1.00 . A A . 8 CYS HB2 1 1
2 268 1 1 8 CYS HB3 H 1.266 0.434 1.971 1.00 . A A . 8 CYS HB3 1 1
2 269 1 1 8 CYS N N -0.426 2.967 3.035 1.00 . A A . 8 CYS N 1 1
2 270 1 1 8 CYS O O 2.521 3.619 1.488 1.00 . A A . 8 CYS O 1 1
2 271 1 1 8 CYS SG S 0.520 -0.017 4.234 1.00 . A A . 8 CYS SG 1 1
2 272 1 1 9 ALA C C 2.585 3.024 -1.423 1.00 . A A . 9 ALA C 1 1
2 273 1 1 9 ALA CA C 1.126 3.254 -0.957 1.00 . A A . 9 ALA CA 1 1
2 274 1 1 9 ALA CB C 0.788 4.765 -1.004 1.00 . A A . 9 ALA CB 1 1
2 275 1 1 9 ALA H H -0.060 2.232 0.514 1.00 . A A . 9 ALA H 1 1
2 276 1 1 9 ALA HA H 0.481 2.750 -1.662 1.00 . A A . 9 ALA HA 1 1
2 277 1 1 9 ALA HB1 H 1.346 5.301 -0.250 1.00 . A A . 9 ALA HB1 1 1
2 278 1 1 9 ALA HB2 H 1.029 5.176 -1.973 1.00 . A A . 9 ALA HB2 1 1
2 279 1 1 9 ALA HB3 H -0.267 4.910 -0.828 1.00 . A A . 9 ALA HB3 1 1
2 280 1 1 9 ALA N N 0.762 2.757 0.410 1.00 . A A . 9 ALA N 1 1
2 281 1 1 9 ALA O O 3.156 3.869 -2.088 1.00 . A A . 9 ALA O 1 1
2 282 1 1 10 TRP C C 4.568 0.873 -2.853 1.00 . A A . 10 TRP C 1 1
2 283 1 1 10 TRP CA C 4.573 1.600 -1.497 1.00 . A A . 10 TRP CA 1 1
2 284 1 1 10 TRP CB C 5.286 0.719 -0.417 1.00 . A A . 10 TRP CB 1 1
2 285 1 1 10 TRP CD1 C 3.389 -0.276 0.900 1.00 . A A . 10 TRP CD1 1 1
2 286 1 1 10 TRP CD2 C 4.409 -1.746 -0.402 1.00 . A A . 10 TRP CD2 1 1
2 287 1 1 10 TRP CE2 C 3.377 -2.409 0.268 1.00 . A A . 10 TRP CE2 1 1
2 288 1 1 10 TRP CE3 C 5.216 -2.459 -1.290 1.00 . A A . 10 TRP CE3 1 1
2 289 1 1 10 TRP CG C 4.389 -0.443 0.006 1.00 . A A . 10 TRP CG 1 1
2 290 1 1 10 TRP CH2 C 3.961 -4.469 -0.835 1.00 . A A . 10 TRP CH2 1 1
2 291 1 1 10 TRP CZ2 C 3.153 -3.766 0.052 1.00 . A A . 10 TRP CZ2 1 1
2 292 1 1 10 TRP CZ3 C 4.991 -3.817 -1.505 1.00 . A A . 10 TRP CZ3 1 1
2 293 1 1 10 TRP H H 2.657 1.248 -0.538 1.00 . A A . 10 TRP H 1 1
2 294 1 1 10 TRP HA H 5.104 2.528 -1.599 1.00 . A A . 10 TRP HA 1 1
2 295 1 1 10 TRP HB2 H 6.218 0.325 -0.795 1.00 . A A . 10 TRP HB2 1 1
2 296 1 1 10 TRP HB3 H 5.501 1.322 0.454 1.00 . A A . 10 TRP HB3 1 1
2 297 1 1 10 TRP HD1 H 3.135 0.646 1.397 1.00 . A A . 10 TRP HD1 1 1
2 298 1 1 10 TRP HE1 H 2.079 -1.626 1.595 1.00 . A A . 10 TRP HE1 1 1
2 299 1 1 10 TRP HE3 H 6.019 -1.962 -1.811 1.00 . A A . 10 TRP HE3 1 1
2 300 1 1 10 TRP HH2 H 3.788 -5.522 -1.005 1.00 . A A . 10 TRP HH2 1 1
2 301 1 1 10 TRP HZ2 H 2.353 -4.272 0.572 1.00 . A A . 10 TRP HZ2 1 1
2 302 1 1 10 TRP HZ3 H 5.619 -4.364 -2.192 1.00 . A A . 10 TRP HZ3 1 1
2 303 1 1 10 TRP N N 3.158 1.895 -1.074 1.00 . A A . 10 TRP N 1 1
2 304 1 1 10 TRP NE1 N 2.842 -1.460 1.005 1.00 . A A . 10 TRP NE1 1 1
2 305 1 1 10 TRP O O 5.315 -0.057 -3.088 1.00 . A A . 10 TRP O 1 1
2 306 1 1 11 ARG C C 3.148 -0.707 -5.079 1.00 . A A . 11 ARG C 1 1
2 307 1 1 11 ARG CA C 3.528 0.787 -5.092 1.00 . A A . 11 ARG CA 1 1
2 308 1 1 11 ARG CB C 4.848 0.984 -5.894 1.00 . A A . 11 ARG CB 1 1
2 309 1 1 11 ARG CD C 6.505 2.687 -6.761 1.00 . A A . 11 ARG CD 1 1
2 310 1 1 11 ARG CG C 5.197 2.489 -5.964 1.00 . A A . 11 ARG CG 1 1
2 311 1 1 11 ARG CZ C 5.678 2.861 -9.070 1.00 . A A . 11 ARG CZ 1 1
2 312 1 1 11 ARG H H 3.142 2.105 -3.438 1.00 . A A . 11 ARG H 1 1
2 313 1 1 11 ARG HA H 2.729 1.330 -5.577 1.00 . A A . 11 ARG HA 1 1
2 314 1 1 11 ARG HB2 H 5.658 0.439 -5.433 1.00 . A A . 11 ARG HB2 1 1
2 315 1 1 11 ARG HB3 H 4.711 0.604 -6.896 1.00 . A A . 11 ARG HB3 1 1
2 316 1 1 11 ARG HD2 H 6.775 3.731 -6.796 1.00 . A A . 11 ARG HD2 1 1
2 317 1 1 11 ARG HD3 H 7.310 2.135 -6.297 1.00 . A A . 11 ARG HD3 1 1
2 318 1 1 11 ARG HE H 6.682 1.295 -8.393 1.00 . A A . 11 ARG HE 1 1
2 319 1 1 11 ARG HG2 H 4.392 3.030 -6.442 1.00 . A A . 11 ARG HG2 1 1
2 320 1 1 11 ARG HG3 H 5.330 2.883 -4.968 1.00 . A A . 11 ARG HG3 1 1
2 321 1 1 11 ARG HH11 H 5.275 4.421 -7.875 1.00 . A A . 11 ARG HH11 1 1
2 322 1 1 11 ARG HH12 H 4.692 4.550 -9.500 1.00 . A A . 11 ARG HH12 1 1
2 323 1 1 11 ARG HH21 H 5.952 1.438 -10.449 1.00 . A A . 11 ARG HH21 1 1
2 324 1 1 11 ARG HH22 H 5.079 2.838 -10.978 1.00 . A A . 11 ARG HH22 1 1
2 325 1 1 11 ARG N N 3.700 1.349 -3.712 1.00 . A A . 11 ARG N 1 1
2 326 1 1 11 ARG NE N 6.317 2.173 -8.155 1.00 . A A . 11 ARG NE 1 1
2 327 1 1 11 ARG NH1 N 5.175 4.036 -8.792 1.00 . A A . 11 ARG NH1 1 1
2 328 1 1 11 ARG NH2 N 5.560 2.339 -10.259 1.00 . A A . 11 ARG NH2 1 1
2 329 1 1 11 ARG O O 3.166 -1.348 -6.112 1.00 . A A . 11 ARG O 1 1
2 330 1 1 12 CYS C C 3.479 -3.615 -4.315 1.00 . A A . 12 CYS C 1 1
2 331 1 1 12 CYS CA C 2.423 -2.649 -3.741 1.00 . A A . 12 CYS CA 1 1
2 332 1 1 12 CYS CB C 1.051 -2.859 -4.437 1.00 . A A . 12 CYS CB 1 1
2 333 1 1 12 CYS H H 2.824 -0.630 -3.122 1.00 . A A . 12 CYS H 1 1
2 334 1 1 12 CYS HA H 2.322 -2.848 -2.685 1.00 . A A . 12 CYS HA 1 1
2 335 1 1 12 CYS HB2 H 1.131 -2.574 -5.475 1.00 . A A . 12 CYS HB2 1 1
2 336 1 1 12 CYS HB3 H 0.824 -3.915 -4.415 1.00 . A A . 12 CYS HB3 1 1
2 337 1 1 12 CYS N N 2.816 -1.211 -3.912 1.00 . A A . 12 CYS N 1 1
2 338 1 1 12 CYS O O 3.210 -4.764 -4.606 1.00 . A A . 12 CYS O 1 1
2 339 1 1 12 CYS SG S -0.397 -2.010 -3.754 1.00 . A A . 12 CYS SG 1 1
2 340 1 1 13 NH2 HN1 H 4.930 -2.261 -4.259 1.00 . A A . 13 NH2 HN1 1 1
2 341 1 1 13 NH2 HN2 H 5.382 -3.787 -4.852 1.00 . A A . 13 NH2 HN2 1 1
2 342 1 1 13 NH2 N N 4.699 -3.186 -4.490 1.00 . A A . 13 NH2 N 1 1
3 343 1 1 1 GLY C C -2.423 -4.237 2.431 1.00 . A A . 1 GLY C 1 1
3 344 1 1 1 GLY CA C -2.551 -5.652 1.856 1.00 . A A . 1 GLY CA 1 1
3 345 1 1 1 GLY H1 H -4.513 -5.100 1.424 1.00 . A A . 1 GLY H1 1 1
3 346 1 1 1 GLY H2 H -4.022 -6.548 0.686 1.00 . A A . 1 GLY H2 1 1
3 347 1 1 1 GLY H3 H -4.380 -6.519 2.346 1.00 . A A . 1 GLY H3 1 1
3 348 1 1 1 GLY HA2 H -2.171 -6.364 2.576 1.00 . A A . 1 GLY HA2 1 1
3 349 1 1 1 GLY HA3 H -1.975 -5.718 0.945 1.00 . A A . 1 GLY HA3 1 1
3 350 1 1 1 GLY N N -3.975 -5.979 1.555 1.00 . A A . 1 GLY N 1 1
3 351 1 1 1 GLY O O -3.405 -3.538 2.599 1.00 . A A . 1 GLY O 1 1
3 352 1 1 2 CYS C C -1.136 -1.483 2.156 1.00 . A A . 2 CYS C 1 1
3 353 1 1 2 CYS CA C -0.945 -2.499 3.282 1.00 . A A . 2 CYS CA 1 1
3 354 1 1 2 CYS CB C 0.490 -2.482 3.848 1.00 . A A . 2 CYS CB 1 1
3 355 1 1 2 CYS H H -0.452 -4.467 2.558 1.00 . A A . 2 CYS H 1 1
3 356 1 1 2 CYS HA H -1.655 -2.278 4.059 1.00 . A A . 2 CYS HA 1 1
3 357 1 1 2 CYS HB2 H 0.620 -3.360 4.461 1.00 . A A . 2 CYS HB2 1 1
3 358 1 1 2 CYS HB3 H 1.191 -2.556 3.030 1.00 . A A . 2 CYS HB3 1 1
3 359 1 1 2 CYS N N -1.202 -3.857 2.717 1.00 . A A . 2 CYS N 1 1
3 360 1 1 2 CYS O O -1.999 -0.633 2.260 1.00 . A A . 2 CYS O 1 1
3 361 1 1 2 CYS SG S 0.956 -1.047 4.849 1.00 . A A . 2 CYS SG 1 1
3 362 1 1 3 CYS C C -1.797 -0.830 -0.766 1.00 . A A . 3 CYS C 1 1
3 363 1 1 3 CYS CA C -0.464 -0.648 -0.035 1.00 . A A . 3 CYS CA 1 1
3 364 1 1 3 CYS CB C 0.697 -0.868 -1.025 1.00 . A A . 3 CYS CB 1 1
3 365 1 1 3 CYS H H 0.328 -2.315 1.120 1.00 . A A . 3 CYS H 1 1
3 366 1 1 3 CYS HA H -0.433 0.362 0.339 1.00 . A A . 3 CYS HA 1 1
3 367 1 1 3 CYS HB2 H 1.534 -0.311 -0.642 1.00 . A A . 3 CYS HB2 1 1
3 368 1 1 3 CYS HB3 H 0.991 -1.902 -1.044 1.00 . A A . 3 CYS HB3 1 1
3 369 1 1 3 CYS N N -0.342 -1.599 1.120 1.00 . A A . 3 CYS N 1 1
3 370 1 1 3 CYS O O -2.164 0.016 -1.560 1.00 . A A . 3 CYS O 1 1
3 371 1 1 3 CYS SG S 0.472 -0.289 -2.725 1.00 . A A . 3 CYS SG 1 1
3 372 1 1 4 SER C C -4.697 -0.945 -0.841 1.00 . A A . 4 SER C 1 1
3 373 1 1 4 SER CA C -3.813 -2.175 -1.144 1.00 . A A . 4 SER CA 1 1
3 374 1 1 4 SER CB C -4.431 -3.445 -0.544 1.00 . A A . 4 SER CB 1 1
3 375 1 1 4 SER H H -2.132 -2.562 0.160 1.00 . A A . 4 SER H 1 1
3 376 1 1 4 SER HA H -3.671 -2.266 -2.211 1.00 . A A . 4 SER HA 1 1
3 377 1 1 4 SER HB2 H -3.794 -4.304 -0.690 1.00 . A A . 4 SER HB2 1 1
3 378 1 1 4 SER HB3 H -4.657 -3.321 0.504 1.00 . A A . 4 SER HB3 1 1
3 379 1 1 4 SER HG H -6.240 -2.912 -1.019 1.00 . A A . 4 SER HG 1 1
3 380 1 1 4 SER N N -2.486 -1.915 -0.485 1.00 . A A . 4 SER N 1 1
3 381 1 1 4 SER O O -5.605 -0.606 -1.574 1.00 . A A . 4 SER O 1 1
3 382 1 1 4 SER OG O -5.642 -3.623 -1.264 1.00 . A A . 4 SER OG 1 1
3 383 1 1 5 ASP C C -3.882 1.921 0.775 1.00 . A A . 5 ASP C 1 1
3 384 1 1 5 ASP CA C -5.021 0.877 0.799 1.00 . A A . 5 ASP CA 1 1
3 385 1 1 5 ASP CB C -5.479 0.616 2.232 1.00 . A A . 5 ASP CB 1 1
3 386 1 1 5 ASP CG C -6.359 -0.644 2.276 1.00 . A A . 5 ASP CG 1 1
3 387 1 1 5 ASP H H -3.608 -0.709 0.785 1.00 . A A . 5 ASP H 1 1
3 388 1 1 5 ASP HA H -5.832 1.171 0.153 1.00 . A A . 5 ASP HA 1 1
3 389 1 1 5 ASP HB2 H -4.620 0.463 2.868 1.00 . A A . 5 ASP HB2 1 1
3 390 1 1 5 ASP HB3 H -6.041 1.461 2.605 1.00 . A A . 5 ASP HB3 1 1
3 391 1 1 5 ASP N N -4.353 -0.340 0.267 1.00 . A A . 5 ASP N 1 1
3 392 1 1 5 ASP O O -2.753 1.570 1.063 1.00 . A A . 5 ASP O 1 1
3 393 1 1 5 ASP OD1 O -5.770 -1.708 2.397 1.00 . A A . 5 ASP OD1 1 1
3 394 1 1 5 ASP OD2 O -7.563 -0.474 2.189 1.00 . A A . 5 ASP OD2 1 1
3 395 1 1 6 PRO C C -2.353 4.523 1.575 1.00 . A A . 6 PRO C 1 1
3 396 1 1 6 PRO CA C -3.075 4.175 0.266 1.00 . A A . 6 PRO CA 1 1
3 397 1 1 6 PRO CB C -3.764 5.388 -0.365 1.00 . A A . 6 PRO CB 1 1
3 398 1 1 6 PRO CD C -5.522 3.716 0.214 1.00 . A A . 6 PRO CD 1 1
3 399 1 1 6 PRO CG C -5.282 5.186 -0.180 1.00 . A A . 6 PRO CG 1 1
3 400 1 1 6 PRO HA H -2.326 3.740 -0.385 1.00 . A A . 6 PRO HA 1 1
3 401 1 1 6 PRO HB2 H -3.452 6.308 0.109 1.00 . A A . 6 PRO HB2 1 1
3 402 1 1 6 PRO HB3 H -3.525 5.440 -1.417 1.00 . A A . 6 PRO HB3 1 1
3 403 1 1 6 PRO HD2 H -6.105 3.638 1.121 1.00 . A A . 6 PRO HD2 1 1
3 404 1 1 6 PRO HD3 H -6.003 3.178 -0.589 1.00 . A A . 6 PRO HD3 1 1
3 405 1 1 6 PRO HG2 H -5.650 5.841 0.597 1.00 . A A . 6 PRO HG2 1 1
3 406 1 1 6 PRO HG3 H -5.801 5.412 -1.100 1.00 . A A . 6 PRO HG3 1 1
3 407 1 1 6 PRO N N -4.157 3.162 0.447 1.00 . A A . 6 PRO N 1 1
3 408 1 1 6 PRO O O -1.439 5.326 1.570 1.00 . A A . 6 PRO O 1 1
3 409 1 1 7 ARG C C -0.646 3.867 3.884 1.00 . A A . 7 ARG C 1 1
3 410 1 1 7 ARG CA C -2.156 4.159 3.990 1.00 . A A . 7 ARG CA 1 1
3 411 1 1 7 ARG CB C -2.828 3.223 5.028 1.00 . A A . 7 ARG CB 1 1
3 412 1 1 7 ARG CD C -3.356 0.795 5.607 1.00 . A A . 7 ARG CD 1 1
3 413 1 1 7 ARG CG C -2.590 1.730 4.655 1.00 . A A . 7 ARG CG 1 1
3 414 1 1 7 ARG CZ C -5.693 0.049 5.316 1.00 . A A . 7 ARG CZ 1 1
3 415 1 1 7 ARG H H -3.528 3.280 2.586 1.00 . A A . 7 ARG H 1 1
3 416 1 1 7 ARG HA H -2.302 5.195 4.261 1.00 . A A . 7 ARG HA 1 1
3 417 1 1 7 ARG HB2 H -2.418 3.421 6.008 1.00 . A A . 7 ARG HB2 1 1
3 418 1 1 7 ARG HB3 H -3.887 3.432 5.054 1.00 . A A . 7 ARG HB3 1 1
3 419 1 1 7 ARG HD2 H -3.103 -0.228 5.371 1.00 . A A . 7 ARG HD2 1 1
3 420 1 1 7 ARG HD3 H -3.092 0.996 6.635 1.00 . A A . 7 ARG HD3 1 1
3 421 1 1 7 ARG HE H -5.157 1.949 5.394 1.00 . A A . 7 ARG HE 1 1
3 422 1 1 7 ARG HG2 H -2.905 1.547 3.639 1.00 . A A . 7 ARG HG2 1 1
3 423 1 1 7 ARG HG3 H -1.538 1.499 4.732 1.00 . A A . 7 ARG HG3 1 1
3 424 1 1 7 ARG HH11 H -4.361 -1.449 5.477 1.00 . A A . 7 ARG HH11 1 1
3 425 1 1 7 ARG HH12 H -6.009 -1.924 5.262 1.00 . A A . 7 ARG HH12 1 1
3 426 1 1 7 ARG HH21 H -7.217 1.331 5.132 1.00 . A A . 7 ARG HH21 1 1
3 427 1 1 7 ARG HH22 H -7.638 -0.348 5.068 1.00 . A A . 7 ARG HH22 1 1
3 428 1 1 7 ARG N N -2.783 3.911 2.652 1.00 . A A . 7 ARG N 1 1
3 429 1 1 7 ARG NE N -4.827 1.028 5.429 1.00 . A A . 7 ARG NE 1 1
3 430 1 1 7 ARG NH1 N -5.321 -1.204 5.355 1.00 . A A . 7 ARG NH1 1 1
3 431 1 1 7 ARG NH2 N -6.947 0.369 5.161 1.00 . A A . 7 ARG NH2 1 1
3 432 1 1 7 ARG O O 0.167 4.473 4.555 1.00 . A A . 7 ARG O 1 1
3 433 1 1 8 CYS C C 1.530 3.106 1.427 1.00 . A A . 8 CYS C 1 1
3 434 1 1 8 CYS CA C 1.043 2.478 2.745 1.00 . A A . 8 CYS CA 1 1
3 435 1 1 8 CYS CB C 1.009 0.969 2.644 1.00 . A A . 8 CYS CB 1 1
3 436 1 1 8 CYS H H -1.078 2.488 2.524 1.00 . A A . 8 CYS H 1 1
3 437 1 1 8 CYS HA H 1.693 2.785 3.552 1.00 . A A . 8 CYS HA 1 1
3 438 1 1 8 CYS HB2 H 0.007 0.664 2.898 1.00 . A A . 8 CYS HB2 1 1
3 439 1 1 8 CYS HB3 H 1.148 0.689 1.613 1.00 . A A . 8 CYS HB3 1 1
3 440 1 1 8 CYS N N -0.352 2.928 3.019 1.00 . A A . 8 CYS N 1 1
3 441 1 1 8 CYS O O 2.481 3.863 1.397 1.00 . A A . 8 CYS O 1 1
3 442 1 1 8 CYS SG S 2.174 -0.003 3.626 1.00 . A A . 8 CYS SG 1 1
3 443 1 1 9 ALA C C 2.552 2.988 -1.506 1.00 . A A . 9 ALA C 1 1
3 444 1 1 9 ALA CA C 1.105 3.215 -1.009 1.00 . A A . 9 ALA CA 1 1
3 445 1 1 9 ALA CB C 0.746 4.719 -1.077 1.00 . A A . 9 ALA CB 1 1
3 446 1 1 9 ALA H H 0.079 2.125 0.521 1.00 . A A . 9 ALA H 1 1
3 447 1 1 9 ALA HA H 0.443 2.675 -1.670 1.00 . A A . 9 ALA HA 1 1
3 448 1 1 9 ALA HB1 H -0.295 4.857 -0.830 1.00 . A A . 9 ALA HB1 1 1
3 449 1 1 9 ALA HB2 H 1.350 5.284 -0.381 1.00 . A A . 9 ALA HB2 1 1
3 450 1 1 9 ALA HB3 H 0.918 5.097 -2.073 1.00 . A A . 9 ALA HB3 1 1
3 451 1 1 9 ALA N N 0.828 2.742 0.381 1.00 . A A . 9 ALA N 1 1
3 452 1 1 9 ALA O O 3.092 3.816 -2.216 1.00 . A A . 9 ALA O 1 1
3 453 1 1 10 TRP C C 4.556 0.832 -2.913 1.00 . A A . 10 TRP C 1 1
3 454 1 1 10 TRP CA C 4.557 1.594 -1.580 1.00 . A A . 10 TRP CA 1 1
3 455 1 1 10 TRP CB C 5.314 0.760 -0.491 1.00 . A A . 10 TRP CB 1 1
3 456 1 1 10 TRP CD1 C 3.494 -0.295 0.883 1.00 . A A . 10 TRP CD1 1 1
3 457 1 1 10 TRP CD2 C 4.548 -1.743 -0.416 1.00 . A A . 10 TRP CD2 1 1
3 458 1 1 10 TRP CE2 C 3.562 -2.438 0.292 1.00 . A A . 10 TRP CE2 1 1
3 459 1 1 10 TRP CE3 C 5.363 -2.440 -1.310 1.00 . A A . 10 TRP CE3 1 1
3 460 1 1 10 TRP CG C 4.480 -0.433 -0.031 1.00 . A A . 10 TRP CG 1 1
3 461 1 1 10 TRP CH2 C 4.206 -4.492 -0.787 1.00 . A A . 10 TRP CH2 1 1
3 462 1 1 10 TRP CZ2 C 3.391 -3.806 0.106 1.00 . A A . 10 TRP CZ2 1 1
3 463 1 1 10 TRP CZ3 C 5.192 -3.809 -1.494 1.00 . A A . 10 TRP CZ3 1 1
3 464 1 1 10 TRP H H 2.674 1.246 -0.556 1.00 . A A . 10 TRP H 1 1
3 465 1 1 10 TRP HA H 5.066 2.526 -1.708 1.00 . A A . 10 TRP HA 1 1
3 466 1 1 10 TRP HB2 H 6.259 0.400 -0.873 1.00 . A A . 10 TRP HB2 1 1
3 467 1 1 10 TRP HB3 H 5.515 1.388 0.365 1.00 . A A . 10 TRP HB3 1 1
3 468 1 1 10 TRP HD1 H 3.212 0.628 1.363 1.00 . A A . 10 TRP HD1 1 1
3 469 1 1 10 TRP HE1 H 2.261 -1.690 1.636 1.00 . A A . 10 TRP HE1 1 1
3 470 1 1 10 TRP HE3 H 6.133 -1.921 -1.860 1.00 . A A . 10 TRP HE3 1 1
3 471 1 1 10 TRP HH2 H 4.076 -5.554 -0.933 1.00 . A A . 10 TRP HH2 1 1
3 472 1 1 10 TRP HZ2 H 2.626 -4.333 0.656 1.00 . A A . 10 TRP HZ2 1 1
3 473 1 1 10 TRP HZ3 H 5.826 -4.343 -2.187 1.00 . A A . 10 TRP HZ3 1 1
3 474 1 1 10 TRP N N 3.149 1.881 -1.129 1.00 . A A . 10 TRP N 1 1
3 475 1 1 10 TRP NE1 N 3.001 -1.500 1.025 1.00 . A A . 10 TRP NE1 1 1
3 476 1 1 10 TRP O O 5.315 -0.095 -3.111 1.00 . A A . 10 TRP O 1 1
3 477 1 1 11 ARG C C 3.056 -0.800 -5.095 1.00 . A A . 11 ARG C 1 1
3 478 1 1 11 ARG CA C 3.506 0.677 -5.161 1.00 . A A . 11 ARG CA 1 1
3 479 1 1 11 ARG CB C 4.870 0.832 -5.953 1.00 . A A . 11 ARG CB 1 1
3 480 1 1 11 ARG CD C 7.146 -0.148 -6.491 1.00 . A A . 11 ARG CD 1 1
3 481 1 1 11 ARG CG C 5.714 -0.474 -6.035 1.00 . A A . 11 ARG CG 1 1
3 482 1 1 11 ARG CZ C 8.326 -1.994 -5.377 1.00 . A A . 11 ARG CZ 1 1
3 483 1 1 11 ARG H H 3.119 2.028 -3.535 1.00 . A A . 11 ARG H 1 1
3 484 1 1 11 ARG HA H 2.736 1.240 -5.667 1.00 . A A . 11 ARG HA 1 1
3 485 1 1 11 ARG HB2 H 4.644 1.156 -6.959 1.00 . A A . 11 ARG HB2 1 1
3 486 1 1 11 ARG HB3 H 5.461 1.607 -5.486 1.00 . A A . 11 ARG HB3 1 1
3 487 1 1 11 ARG HD2 H 7.140 0.254 -7.493 1.00 . A A . 11 ARG HD2 1 1
3 488 1 1 11 ARG HD3 H 7.613 0.564 -5.826 1.00 . A A . 11 ARG HD3 1 1
3 489 1 1 11 ARG HE H 8.179 -1.831 -7.346 1.00 . A A . 11 ARG HE 1 1
3 490 1 1 11 ARG HG2 H 5.736 -1.004 -5.100 1.00 . A A . 11 ARG HG2 1 1
3 491 1 1 11 ARG HG3 H 5.276 -1.128 -6.775 1.00 . A A . 11 ARG HG3 1 1
3 492 1 1 11 ARG HH11 H 7.499 -0.626 -4.163 1.00 . A A . 11 ARG HH11 1 1
3 493 1 1 11 ARG HH12 H 8.330 -1.924 -3.375 1.00 . A A . 11 ARG HH12 1 1
3 494 1 1 11 ARG HH21 H 9.232 -3.479 -6.365 1.00 . A A . 11 ARG HH21 1 1
3 495 1 1 11 ARG HH22 H 9.325 -3.562 -4.637 1.00 . A A . 11 ARG HH22 1 1
3 496 1 1 11 ARG N N 3.684 1.270 -3.791 1.00 . A A . 11 ARG N 1 1
3 497 1 1 11 ARG NE N 7.941 -1.418 -6.490 1.00 . A A . 11 ARG NE 1 1
3 498 1 1 11 ARG NH1 N 8.028 -1.474 -4.215 1.00 . A A . 11 ARG NH1 1 1
3 499 1 1 11 ARG NH2 N 9.015 -3.098 -5.466 1.00 . A A . 11 ARG NH2 1 1
3 500 1 1 11 ARG O O 2.937 -1.449 -6.117 1.00 . A A . 11 ARG O 1 1
3 501 1 1 12 CYS C C 3.373 -3.702 -4.275 1.00 . A A . 12 CYS C 1 1
3 502 1 1 12 CYS CA C 2.378 -2.695 -3.666 1.00 . A A . 12 CYS CA 1 1
3 503 1 1 12 CYS CB C 0.965 -2.877 -4.285 1.00 . A A . 12 CYS CB 1 1
3 504 1 1 12 CYS H H 2.930 -0.691 -3.118 1.00 . A A . 12 CYS H 1 1
3 505 1 1 12 CYS HA H 2.333 -2.867 -2.601 1.00 . A A . 12 CYS HA 1 1
3 506 1 1 12 CYS HB2 H 1.014 -2.696 -5.348 1.00 . A A . 12 CYS HB2 1 1
3 507 1 1 12 CYS HB3 H 0.679 -3.909 -4.151 1.00 . A A . 12 CYS HB3 1 1
3 508 1 1 12 CYS N N 2.820 -1.279 -3.895 1.00 . A A . 12 CYS N 1 1
3 509 1 1 12 CYS O O 3.037 -4.823 -4.604 1.00 . A A . 12 CYS O 1 1
3 510 1 1 12 CYS SG S -0.395 -1.876 -3.627 1.00 . A A . 12 CYS SG 1 1
3 511 1 1 13 NH2 HN1 H 4.896 -2.436 -4.180 1.00 . A A . 13 NH2 HN1 1 1
3 512 1 1 13 NH2 HN2 H 5.263 -3.962 -4.826 1.00 . A A . 13 NH2 HN2 1 1
3 513 1 1 13 NH2 N N 4.614 -3.337 -4.441 1.00 . A A . 13 NH2 N 1 1
4 514 1 1 1 GLY C C -2.446 -4.206 2.422 1.00 . A A . 1 GLY C 1 1
4 515 1 1 1 GLY CA C -2.631 -5.613 1.844 1.00 . A A . 1 GLY CA 1 1
4 516 1 1 1 GLY H1 H -4.657 -5.284 2.199 1.00 . A A . 1 GLY H1 1 1
4 517 1 1 1 GLY H2 H -4.298 -5.738 0.603 1.00 . A A . 1 GLY H2 1 1
4 518 1 1 1 GLY H3 H -4.270 -6.898 1.843 1.00 . A A . 1 GLY H3 1 1
4 519 1 1 1 GLY HA2 H -2.235 -6.337 2.541 1.00 . A A . 1 GLY HA2 1 1
4 520 1 1 1 GLY HA3 H -2.098 -5.685 0.908 1.00 . A A . 1 GLY HA3 1 1
4 521 1 1 1 GLY N N -4.073 -5.906 1.604 1.00 . A A . 1 GLY N 1 1
4 522 1 1 1 GLY O O -3.404 -3.489 2.642 1.00 . A A . 1 GLY O 1 1
4 523 1 1 2 CYS C C -1.093 -1.487 2.096 1.00 . A A . 2 CYS C 1 1
4 524 1 1 2 CYS CA C -0.896 -2.504 3.214 1.00 . A A . 2 CYS CA 1 1
4 525 1 1 2 CYS CB C 0.556 -2.540 3.743 1.00 . A A . 2 CYS CB 1 1
4 526 1 1 2 CYS H H -0.476 -4.474 2.453 1.00 . A A . 2 CYS H 1 1
4 527 1 1 2 CYS HA H -1.584 -2.254 4.001 1.00 . A A . 2 CYS HA 1 1
4 528 1 1 2 CYS HB2 H 0.676 -3.439 4.330 1.00 . A A . 2 CYS HB2 1 1
4 529 1 1 2 CYS HB3 H 1.235 -2.612 2.907 1.00 . A A . 2 CYS HB3 1 1
4 530 1 1 2 CYS N N -1.206 -3.852 2.652 1.00 . A A . 2 CYS N 1 1
4 531 1 1 2 CYS O O -1.943 -0.630 2.225 1.00 . A A . 2 CYS O 1 1
4 532 1 1 2 CYS SG S 1.092 -1.153 4.775 1.00 . A A . 2 CYS SG 1 1
4 533 1 1 3 CYS C C -1.821 -0.810 -0.801 1.00 . A A . 3 CYS C 1 1
4 534 1 1 3 CYS CA C -0.467 -0.643 -0.106 1.00 . A A . 3 CYS CA 1 1
4 535 1 1 3 CYS CB C 0.667 -0.872 -1.122 1.00 . A A . 3 CYS CB 1 1
4 536 1 1 3 CYS H H 0.337 -2.326 1.019 1.00 . A A . 3 CYS H 1 1
4 537 1 1 3 CYS HA H -0.417 0.366 0.273 1.00 . A A . 3 CYS HA 1 1
4 538 1 1 3 CYS HB2 H 1.503 -0.280 -0.790 1.00 . A A . 3 CYS HB2 1 1
4 539 1 1 3 CYS HB3 H 0.981 -1.900 -1.100 1.00 . A A . 3 CYS HB3 1 1
4 540 1 1 3 CYS N N -0.325 -1.604 1.041 1.00 . A A . 3 CYS N 1 1
4 541 1 1 3 CYS O O -2.219 0.056 -1.556 1.00 . A A . 3 CYS O 1 1
4 542 1 1 3 CYS SG S 0.376 -0.378 -2.839 1.00 . A A . 3 CYS SG 1 1
4 543 1 1 4 SER C C -4.730 -0.959 -0.787 1.00 . A A . 4 SER C 1 1
4 544 1 1 4 SER CA C -3.836 -2.164 -1.151 1.00 . A A . 4 SER CA 1 1
4 545 1 1 4 SER CB C -4.414 -3.463 -0.572 1.00 . A A . 4 SER CB 1 1
4 546 1 1 4 SER H H -2.111 -2.570 0.087 1.00 . A A . 4 SER H 1 1
4 547 1 1 4 SER HA H -3.727 -2.223 -2.224 1.00 . A A . 4 SER HA 1 1
4 548 1 1 4 SER HB2 H -3.772 -4.307 -0.778 1.00 . A A . 4 SER HB2 1 1
4 549 1 1 4 SER HB3 H -4.597 -3.383 0.488 1.00 . A A . 4 SER HB3 1 1
4 550 1 1 4 SER HG H -5.479 -3.638 -2.192 1.00 . A A . 4 SER HG 1 1
4 551 1 1 4 SER N N -2.491 -1.909 -0.529 1.00 . A A . 4 SER N 1 1
4 552 1 1 4 SER O O -5.665 -0.617 -1.484 1.00 . A A . 4 SER O 1 1
4 553 1 1 4 SER OG O -5.652 -3.635 -1.247 1.00 . A A . 4 SER OG 1 1
4 554 1 1 5 ASP C C -3.928 1.878 0.890 1.00 . A A . 5 ASP C 1 1
4 555 1 1 5 ASP CA C -5.045 0.812 0.905 1.00 . A A . 5 ASP CA 1 1
4 556 1 1 5 ASP CB C -5.484 0.491 2.339 1.00 . A A . 5 ASP CB 1 1
4 557 1 1 5 ASP CG C -6.363 -0.773 2.316 1.00 . A A . 5 ASP CG 1 1
4 558 1 1 5 ASP H H -3.599 -0.744 0.815 1.00 . A A . 5 ASP H 1 1
4 559 1 1 5 ASP HA H -5.874 1.108 0.281 1.00 . A A . 5 ASP HA 1 1
4 560 1 1 5 ASP HB2 H -4.623 0.313 2.969 1.00 . A A . 5 ASP HB2 1 1
4 561 1 1 5 ASP HB3 H -6.051 1.314 2.750 1.00 . A A . 5 ASP HB3 1 1
4 562 1 1 5 ASP N N -4.366 -0.377 0.327 1.00 . A A . 5 ASP N 1 1
4 563 1 1 5 ASP O O -2.809 1.564 1.246 1.00 . A A . 5 ASP O 1 1
4 564 1 1 5 ASP OD1 O -5.777 -1.840 2.424 1.00 . A A . 5 ASP OD1 1 1
4 565 1 1 5 ASP OD2 O -7.564 -0.603 2.190 1.00 . A A . 5 ASP OD2 1 1
4 566 1 1 6 PRO C C -2.380 4.506 1.524 1.00 . A A . 6 PRO C 1 1
4 567 1 1 6 PRO CA C -3.134 4.102 0.249 1.00 . A A . 6 PRO CA 1 1
4 568 1 1 6 PRO CB C -3.837 5.290 -0.415 1.00 . A A . 6 PRO CB 1 1
4 569 1 1 6 PRO CD C -5.579 3.631 0.234 1.00 . A A . 6 PRO CD 1 1
4 570 1 1 6 PRO CG C -5.351 5.089 -0.203 1.00 . A A . 6 PRO CG 1 1
4 571 1 1 6 PRO HA H -2.402 3.644 -0.405 1.00 . A A . 6 PRO HA 1 1
4 572 1 1 6 PRO HB2 H -3.522 6.227 0.021 1.00 . A A . 6 PRO HB2 1 1
4 573 1 1 6 PRO HB3 H -3.611 5.304 -1.471 1.00 . A A . 6 PRO HB3 1 1
4 574 1 1 6 PRO HD2 H -6.167 3.574 1.139 1.00 . A A . 6 PRO HD2 1 1
4 575 1 1 6 PRO HD3 H -6.050 3.064 -0.556 1.00 . A A . 6 PRO HD3 1 1
4 576 1 1 6 PRO HG2 H -5.709 5.763 0.561 1.00 . A A . 6 PRO HG2 1 1
4 577 1 1 6 PRO HG3 H -5.883 5.288 -1.121 1.00 . A A . 6 PRO HG3 1 1
4 578 1 1 6 PRO N N -4.210 3.095 0.491 1.00 . A A . 6 PRO N 1 1
4 579 1 1 6 PRO O O -1.464 5.303 1.461 1.00 . A A . 6 PRO O 1 1
4 580 1 1 7 ARG C C -0.626 3.877 3.855 1.00 . A A . 7 ARG C 1 1
4 581 1 1 7 ARG CA C -2.115 4.264 3.937 1.00 . A A . 7 ARG CA 1 1
4 582 1 1 7 ARG CB C -2.869 3.485 5.054 1.00 . A A . 7 ARG CB 1 1
4 583 1 1 7 ARG CD C -1.605 1.316 5.546 1.00 . A A . 7 ARG CD 1 1
4 584 1 1 7 ARG CG C -2.844 1.935 4.874 1.00 . A A . 7 ARG CG 1 1
4 585 1 1 7 ARG CZ C -1.358 -0.911 6.561 1.00 . A A . 7 ARG CZ 1 1
4 586 1 1 7 ARG H H -3.530 3.315 2.624 1.00 . A A . 7 ARG H 1 1
4 587 1 1 7 ARG HA H -2.190 5.327 4.115 1.00 . A A . 7 ARG HA 1 1
4 588 1 1 7 ARG HB2 H -2.442 3.747 6.011 1.00 . A A . 7 ARG HB2 1 1
4 589 1 1 7 ARG HB3 H -3.900 3.810 5.056 1.00 . A A . 7 ARG HB3 1 1
4 590 1 1 7 ARG HD2 H -0.702 1.527 4.997 1.00 . A A . 7 ARG HD2 1 1
4 591 1 1 7 ARG HD3 H -1.511 1.698 6.552 1.00 . A A . 7 ARG HD3 1 1
4 592 1 1 7 ARG HE H -2.306 -0.594 4.850 1.00 . A A . 7 ARG HE 1 1
4 593 1 1 7 ARG HG2 H -3.732 1.502 5.311 1.00 . A A . 7 ARG HG2 1 1
4 594 1 1 7 ARG HG3 H -2.833 1.686 3.824 1.00 . A A . 7 ARG HG3 1 1
4 595 1 1 7 ARG HH11 H -0.514 0.597 7.585 1.00 . A A . 7 ARG HH11 1 1
4 596 1 1 7 ARG HH12 H -0.360 -0.973 8.293 1.00 . A A . 7 ARG HH12 1 1
4 597 1 1 7 ARG HH21 H -2.106 -2.584 5.753 1.00 . A A . 7 ARG HH21 1 1
4 598 1 1 7 ARG HH22 H -1.257 -2.786 7.249 1.00 . A A . 7 ARG HH22 1 1
4 599 1 1 7 ARG N N -2.782 3.947 2.639 1.00 . A A . 7 ARG N 1 1
4 600 1 1 7 ARG NE N -1.811 -0.166 5.580 1.00 . A A . 7 ARG NE 1 1
4 601 1 1 7 ARG NH1 N -0.693 -0.386 7.555 1.00 . A A . 7 ARG NH1 1 1
4 602 1 1 7 ARG NH2 N -1.592 -2.194 6.517 1.00 . A A . 7 ARG NH2 1 1
4 603 1 1 7 ARG O O 0.196 4.423 4.564 1.00 . A A . 7 ARG O 1 1
4 604 1 1 8 CYS C C 1.573 3.072 1.463 1.00 . A A . 8 CYS C 1 1
4 605 1 1 8 CYS CA C 1.051 2.444 2.768 1.00 . A A . 8 CYS CA 1 1
4 606 1 1 8 CYS CB C 0.994 0.941 2.642 1.00 . A A . 8 CYS CB 1 1
4 607 1 1 8 CYS H H -1.059 2.530 2.451 1.00 . A A . 8 CYS H 1 1
4 608 1 1 8 CYS HA H 1.686 2.736 3.592 1.00 . A A . 8 CYS HA 1 1
4 609 1 1 8 CYS HB2 H -0.001 0.643 2.929 1.00 . A A . 8 CYS HB2 1 1
4 610 1 1 8 CYS HB3 H 1.091 0.675 1.604 1.00 . A A . 8 CYS HB3 1 1
4 611 1 1 8 CYS N N -0.342 2.939 2.983 1.00 . A A . 8 CYS N 1 1
4 612 1 1 8 CYS O O 2.561 3.781 1.444 1.00 . A A . 8 CYS O 1 1
4 613 1 1 8 CYS SG S 2.223 -0.051 3.522 1.00 . A A . 8 CYS SG 1 1
4 614 1 1 9 ALA C C 2.583 3.002 -1.477 1.00 . A A . 9 ALA C 1 1
4 615 1 1 9 ALA CA C 1.139 3.238 -0.970 1.00 . A A . 9 ALA CA 1 1
4 616 1 1 9 ALA CB C 0.792 4.747 -1.024 1.00 . A A . 9 ALA CB 1 1
4 617 1 1 9 ALA H H 0.074 2.179 0.550 1.00 . A A . 9 ALA H 1 1
4 618 1 1 9 ALA HA H 0.470 2.706 -1.629 1.00 . A A . 9 ALA HA 1 1
4 619 1 1 9 ALA HB1 H -0.252 4.889 -0.785 1.00 . A A . 9 ALA HB1 1 1
4 620 1 1 9 ALA HB2 H 1.392 5.299 -0.316 1.00 . A A . 9 ALA HB2 1 1
4 621 1 1 9 ALA HB3 H 0.972 5.137 -2.015 1.00 . A A . 9 ALA HB3 1 1
4 622 1 1 9 ALA N N 0.851 2.760 0.415 1.00 . A A . 9 ALA N 1 1
4 623 1 1 9 ALA O O 3.136 3.839 -2.166 1.00 . A A . 9 ALA O 1 1
4 624 1 1 10 TRP C C 4.545 0.829 -2.937 1.00 . A A . 10 TRP C 1 1
4 625 1 1 10 TRP CA C 4.563 1.570 -1.591 1.00 . A A . 10 TRP CA 1 1
4 626 1 1 10 TRP CB C 5.305 0.708 -0.516 1.00 . A A . 10 TRP CB 1 1
4 627 1 1 10 TRP CD1 C 3.433 -0.363 0.782 1.00 . A A . 10 TRP CD1 1 1
4 628 1 1 10 TRP CD2 C 4.551 -1.795 -0.477 1.00 . A A . 10 TRP CD2 1 1
4 629 1 1 10 TRP CE2 C 3.544 -2.503 0.186 1.00 . A A . 10 TRP CE2 1 1
4 630 1 1 10 TRP CE3 C 5.409 -2.476 -1.341 1.00 . A A . 10 TRP CE3 1 1
4 631 1 1 10 TRP CG C 4.456 -0.489 -0.092 1.00 . A A . 10 TRP CG 1 1
4 632 1 1 10 TRP CH2 C 4.256 -4.544 -0.877 1.00 . A A . 10 TRP CH2 1 1
4 633 1 1 10 TRP CZ2 C 3.397 -3.872 -0.013 1.00 . A A . 10 TRP CZ2 1 1
4 634 1 1 10 TRP CZ3 C 5.262 -3.846 -1.539 1.00 . A A . 10 TRP CZ3 1 1
4 635 1 1 10 TRP H H 2.674 1.233 -0.576 1.00 . A A . 10 TRP H 1 1
4 636 1 1 10 TRP HA H 5.086 2.497 -1.713 1.00 . A A . 10 TRP HA 1 1
4 637 1 1 10 TRP HB2 H 6.249 0.351 -0.899 1.00 . A A . 10 TRP HB2 1 1
4 638 1 1 10 TRP HB3 H 5.501 1.315 0.357 1.00 . A A . 10 TRP HB3 1 1
4 639 1 1 10 TRP HD1 H 3.122 0.554 1.253 1.00 . A A . 10 TRP HD1 1 1
4 640 1 1 10 TRP HE1 H 2.182 -1.771 1.480 1.00 . A A . 10 TRP HE1 1 1
4 641 1 1 10 TRP HE3 H 6.194 -1.943 -1.858 1.00 . A A . 10 TRP HE3 1 1
4 642 1 1 10 TRP HH2 H 4.143 -5.607 -1.032 1.00 . A A . 10 TRP HH2 1 1
4 643 1 1 10 TRP HZ2 H 2.615 -4.411 0.502 1.00 . A A . 10 TRP HZ2 1 1
4 644 1 1 10 TRP HZ3 H 5.929 -4.368 -2.209 1.00 . A A . 10 TRP HZ3 1 1
4 645 1 1 10 TRP N N 3.161 1.874 -1.132 1.00 . A A . 10 TRP N 1 1
4 646 1 1 10 TRP NE1 N 2.946 -1.573 0.899 1.00 . A A . 10 TRP NE1 1 1
4 647 1 1 10 TRP O O 5.303 -0.091 -3.174 1.00 . A A . 10 TRP O 1 1
4 648 1 1 11 ARG C C 3.102 -0.806 -5.085 1.00 . A A . 11 ARG C 1 1
4 649 1 1 11 ARG CA C 3.467 0.697 -5.157 1.00 . A A . 11 ARG CA 1 1
4 650 1 1 11 ARG CB C 4.792 0.927 -5.953 1.00 . A A . 11 ARG CB 1 1
4 651 1 1 11 ARG CD C 5.901 0.997 -8.226 1.00 . A A . 11 ARG CD 1 1
4 652 1 1 11 ARG CG C 4.592 0.681 -7.471 1.00 . A A . 11 ARG CG 1 1
4 653 1 1 11 ARG CZ C 5.656 3.404 -8.670 1.00 . A A . 11 ARG CZ 1 1
4 654 1 1 11 ARG H H 3.087 2.029 -3.507 1.00 . A A . 11 ARG H 1 1
4 655 1 1 11 ARG HA H 2.654 1.223 -5.636 1.00 . A A . 11 ARG HA 1 1
4 656 1 1 11 ARG HB2 H 5.124 1.942 -5.792 1.00 . A A . 11 ARG HB2 1 1
4 657 1 1 11 ARG HB3 H 5.559 0.258 -5.590 1.00 . A A . 11 ARG HB3 1 1
4 658 1 1 11 ARG HD2 H 6.707 0.386 -7.849 1.00 . A A . 11 ARG HD2 1 1
4 659 1 1 11 ARG HD3 H 5.786 0.806 -9.284 1.00 . A A . 11 ARG HD3 1 1
4 660 1 1 11 ARG HE H 6.961 2.666 -7.376 1.00 . A A . 11 ARG HE 1 1
4 661 1 1 11 ARG HG2 H 4.339 -0.350 -7.662 1.00 . A A . 11 ARG HG2 1 1
4 662 1 1 11 ARG HG3 H 3.792 1.305 -7.842 1.00 . A A . 11 ARG HG3 1 1
4 663 1 1 11 ARG HH11 H 4.438 2.195 -9.709 1.00 . A A . 11 ARG HH11 1 1
4 664 1 1 11 ARG HH12 H 4.264 3.888 -10.025 1.00 . A A . 11 ARG HH12 1 1
4 665 1 1 11 ARG HH21 H 6.752 4.808 -7.760 1.00 . A A . 11 ARG HH21 1 1
4 666 1 1 11 ARG HH22 H 5.591 5.390 -8.907 1.00 . A A . 11 ARG HH22 1 1
4 667 1 1 11 ARG N N 3.653 1.279 -3.785 1.00 . A A . 11 ARG N 1 1
4 668 1 1 11 ARG NE N 6.257 2.438 -8.018 1.00 . A A . 11 ARG NE 1 1
4 669 1 1 11 ARG NH1 N 4.713 3.141 -9.535 1.00 . A A . 11 ARG NH1 1 1
4 670 1 1 11 ARG NH2 N 6.029 4.629 -8.427 1.00 . A A . 11 ARG NH2 1 1
4 671 1 1 11 ARG O O 3.078 -1.486 -6.091 1.00 . A A . 11 ARG O 1 1
4 672 1 1 12 CYS C C 3.507 -3.687 -4.216 1.00 . A A . 12 CYS C 1 1
4 673 1 1 12 CYS CA C 2.453 -2.712 -3.656 1.00 . A A . 12 CYS CA 1 1
4 674 1 1 12 CYS CB C 1.069 -2.969 -4.312 1.00 . A A . 12 CYS CB 1 1
4 675 1 1 12 CYS H H 2.858 -0.671 -3.119 1.00 . A A . 12 CYS H 1 1
4 676 1 1 12 CYS HA H 2.380 -2.872 -2.591 1.00 . A A . 12 CYS HA 1 1
4 677 1 1 12 CYS HB2 H 1.133 -2.763 -5.370 1.00 . A A . 12 CYS HB2 1 1
4 678 1 1 12 CYS HB3 H 0.843 -4.020 -4.208 1.00 . A A . 12 CYS HB3 1 1
4 679 1 1 12 CYS N N 2.824 -1.277 -3.889 1.00 . A A . 12 CYS N 1 1
4 680 1 1 12 CYS O O 3.258 -4.859 -4.419 1.00 . A A . 12 CYS O 1 1
4 681 1 1 12 CYS SG S -0.363 -2.066 -3.669 1.00 . A A . 12 CYS SG 1 1
4 682 1 1 13 NH2 HN1 H 4.923 -2.299 -4.317 1.00 . A A . 13 NH2 HN1 1 1
4 683 1 1 13 NH2 HN2 H 5.388 -3.849 -4.830 1.00 . A A . 13 NH2 HN2 1 1
4 684 1 1 13 NH2 N N 4.706 -3.241 -4.477 1.00 . A A . 13 NH2 N 1 1
5 685 1 1 1 GLY C C -2.515 -4.174 2.608 1.00 . A A . 1 GLY C 1 1
5 686 1 1 1 GLY CA C -2.625 -5.613 2.090 1.00 . A A . 1 GLY CA 1 1
5 687 1 1 1 GLY H1 H -4.528 -5.182 1.364 1.00 . A A . 1 GLY H1 1 1
5 688 1 1 1 GLY H2 H -4.088 -6.816 1.224 1.00 . A A . 1 GLY H2 1 1
5 689 1 1 1 GLY H3 H -4.520 -6.179 2.738 1.00 . A A . 1 GLY H3 1 1
5 690 1 1 1 GLY HA2 H -2.215 -6.288 2.825 1.00 . A A . 1 GLY HA2 1 1
5 691 1 1 1 GLY HA3 H -2.067 -5.701 1.168 1.00 . A A . 1 GLY HA3 1 1
5 692 1 1 1 GLY N N -4.048 -5.975 1.834 1.00 . A A . 1 GLY N 1 1
5 693 1 1 1 GLY O O -3.496 -3.456 2.670 1.00 . A A . 1 GLY O 1 1
5 694 1 1 2 CYS C C -1.214 -1.449 2.310 1.00 . A A . 2 CYS C 1 1
5 695 1 1 2 CYS CA C -1.074 -2.418 3.487 1.00 . A A . 2 CYS CA 1 1
5 696 1 1 2 CYS CB C 0.338 -2.388 4.112 1.00 . A A . 2 CYS CB 1 1
5 697 1 1 2 CYS H H -0.564 -4.424 2.890 1.00 . A A . 2 CYS H 1 1
5 698 1 1 2 CYS HA H -1.816 -2.166 4.225 1.00 . A A . 2 CYS HA 1 1
5 699 1 1 2 CYS HB2 H 0.432 -3.239 4.767 1.00 . A A . 2 CYS HB2 1 1
5 700 1 1 2 CYS HB3 H 1.070 -2.506 3.327 1.00 . A A . 2 CYS HB3 1 1
5 701 1 1 2 CYS N N -1.313 -3.797 2.965 1.00 . A A . 2 CYS N 1 1
5 702 1 1 2 CYS O O -2.070 -0.587 2.343 1.00 . A A . 2 CYS O 1 1
5 703 1 1 2 CYS SG S 0.788 -0.918 5.068 1.00 . A A . 2 CYS SG 1 1
5 704 1 1 3 CYS C C -1.738 -0.914 -0.679 1.00 . A A . 3 CYS C 1 1
5 705 1 1 3 CYS CA C -0.435 -0.736 0.101 1.00 . A A . 3 CYS CA 1 1
5 706 1 1 3 CYS CB C 0.756 -1.050 -0.795 1.00 . A A . 3 CYS CB 1 1
5 707 1 1 3 CYS H H 0.276 -2.345 1.375 1.00 . A A . 3 CYS H 1 1
5 708 1 1 3 CYS HA H -0.358 0.295 0.397 1.00 . A A . 3 CYS HA 1 1
5 709 1 1 3 CYS HB2 H 1.581 -0.451 -0.459 1.00 . A A . 3 CYS HB2 1 1
5 710 1 1 3 CYS HB3 H 1.048 -2.075 -0.662 1.00 . A A . 3 CYS HB3 1 1
5 711 1 1 3 CYS N N -0.382 -1.622 1.313 1.00 . A A . 3 CYS N 1 1
5 712 1 1 3 CYS O O -2.058 -0.088 -1.513 1.00 . A A . 3 CYS O 1 1
5 713 1 1 3 CYS SG S 0.640 -0.714 -2.567 1.00 . A A . 3 CYS SG 1 1
5 714 1 1 4 SER C C -4.647 -1.002 -0.844 1.00 . A A . 4 SER C 1 1
5 715 1 1 4 SER CA C -3.757 -2.238 -1.093 1.00 . A A . 4 SER CA 1 1
5 716 1 1 4 SER CB C -4.407 -3.497 -0.500 1.00 . A A . 4 SER CB 1 1
5 717 1 1 4 SER H H -2.139 -2.610 0.289 1.00 . A A . 4 SER H 1 1
5 718 1 1 4 SER HA H -3.577 -2.348 -2.154 1.00 . A A . 4 SER HA 1 1
5 719 1 1 4 SER HB2 H -3.768 -4.362 -0.606 1.00 . A A . 4 SER HB2 1 1
5 720 1 1 4 SER HB3 H -4.676 -3.358 0.535 1.00 . A A . 4 SER HB3 1 1
5 721 1 1 4 SER HG H -5.336 -3.749 -2.191 1.00 . A A . 4 SER HG 1 1
5 722 1 1 4 SER N N -2.455 -1.980 -0.390 1.00 . A A . 4 SER N 1 1
5 723 1 1 4 SER O O -5.529 -0.676 -1.615 1.00 . A A . 4 SER O 1 1
5 724 1 1 4 SER OG O -5.588 -3.684 -1.267 1.00 . A A . 4 SER OG 1 1
5 725 1 1 5 ASP C C -3.894 1.903 0.756 1.00 . A A . 5 ASP C 1 1
5 726 1 1 5 ASP CA C -5.029 0.857 0.740 1.00 . A A . 5 ASP CA 1 1
5 727 1 1 5 ASP CB C -5.572 0.605 2.152 1.00 . A A . 5 ASP CB 1 1
5 728 1 1 5 ASP CG C -6.460 -0.652 2.126 1.00 . A A . 5 ASP CG 1 1
5 729 1 1 5 ASP H H -3.614 -0.728 0.813 1.00 . A A . 5 ASP H 1 1
5 730 1 1 5 ASP HA H -5.807 1.140 0.047 1.00 . A A . 5 ASP HA 1 1
5 731 1 1 5 ASP HB2 H -4.760 0.448 2.847 1.00 . A A . 5 ASP HB2 1 1
5 732 1 1 5 ASP HB3 H -6.156 1.450 2.485 1.00 . A A . 5 ASP HB3 1 1
5 733 1 1 5 ASP N N -4.340 -0.372 0.262 1.00 . A A . 5 ASP N 1 1
5 734 1 1 5 ASP O O -2.784 1.566 1.122 1.00 . A A . 5 ASP O 1 1
5 735 1 1 5 ASP OD1 O -5.896 -1.716 2.336 1.00 . A A . 5 ASP OD1 1 1
5 736 1 1 5 ASP OD2 O -7.645 -0.480 1.896 1.00 . A A . 5 ASP OD2 1 1
5 737 1 1 6 PRO C C -2.357 4.525 1.479 1.00 . A A . 6 PRO C 1 1
5 738 1 1 6 PRO CA C -3.056 4.128 0.174 1.00 . A A . 6 PRO CA 1 1
5 739 1 1 6 PRO CB C -3.720 5.318 -0.521 1.00 . A A . 6 PRO CB 1 1
5 740 1 1 6 PRO CD C -5.506 3.689 0.087 1.00 . A A . 6 PRO CD 1 1
5 741 1 1 6 PRO CG C -5.243 5.142 -0.351 1.00 . A A . 6 PRO CG 1 1
5 742 1 1 6 PRO HA H -2.298 3.657 -0.442 1.00 . A A . 6 PRO HA 1 1
5 743 1 1 6 PRO HB2 H -3.403 6.255 -0.085 1.00 . A A . 6 PRO HB2 1 1
5 744 1 1 6 PRO HB3 H -3.464 5.319 -1.572 1.00 . A A . 6 PRO HB3 1 1
5 745 1 1 6 PRO HD2 H -6.110 3.646 0.982 1.00 . A A . 6 PRO HD2 1 1
5 746 1 1 6 PRO HD3 H -5.972 3.127 -0.708 1.00 . A A . 6 PRO HD3 1 1
5 747 1 1 6 PRO HG2 H -5.612 5.825 0.399 1.00 . A A . 6 PRO HG2 1 1
5 748 1 1 6 PRO HG3 H -5.746 5.344 -1.285 1.00 . A A . 6 PRO HG3 1 1
5 749 1 1 6 PRO N N -4.151 3.131 0.371 1.00 . A A . 6 PRO N 1 1
5 750 1 1 6 PRO O O -1.422 5.304 1.455 1.00 . A A . 6 PRO O 1 1
5 751 1 1 7 ARG C C -0.716 3.964 3.857 1.00 . A A . 7 ARG C 1 1
5 752 1 1 7 ARG CA C -2.223 4.282 3.913 1.00 . A A . 7 ARG CA 1 1
5 753 1 1 7 ARG CB C -2.932 3.409 4.978 1.00 . A A . 7 ARG CB 1 1
5 754 1 1 7 ARG CD C -3.577 1.043 5.636 1.00 . A A . 7 ARG CD 1 1
5 755 1 1 7 ARG CG C -2.780 1.898 4.639 1.00 . A A . 7 ARG CG 1 1
5 756 1 1 7 ARG CZ C -3.485 0.611 8.045 1.00 . A A . 7 ARG CZ 1 1
5 757 1 1 7 ARG H H -3.585 3.365 2.522 1.00 . A A . 7 ARG H 1 1
5 758 1 1 7 ARG HA H -2.357 5.331 4.132 1.00 . A A . 7 ARG HA 1 1
5 759 1 1 7 ARG HB2 H -2.503 3.613 5.948 1.00 . A A . 7 ARG HB2 1 1
5 760 1 1 7 ARG HB3 H -3.981 3.670 5.008 1.00 . A A . 7 ARG HB3 1 1
5 761 1 1 7 ARG HD2 H -4.619 1.331 5.635 1.00 . A A . 7 ARG HD2 1 1
5 762 1 1 7 ARG HD3 H -3.496 -0.002 5.376 1.00 . A A . 7 ARG HD3 1 1
5 763 1 1 7 ARG HE H -2.271 1.882 7.128 1.00 . A A . 7 ARG HE 1 1
5 764 1 1 7 ARG HG2 H -3.137 1.703 3.640 1.00 . A A . 7 ARG HG2 1 1
5 765 1 1 7 ARG HG3 H -1.740 1.609 4.694 1.00 . A A . 7 ARG HG3 1 1
5 766 1 1 7 ARG HH11 H -4.876 -0.399 7.013 1.00 . A A . 7 ARG HH11 1 1
5 767 1 1 7 ARG HH12 H -4.826 -0.717 8.714 1.00 . A A . 7 ARG HH12 1 1
5 768 1 1 7 ARG HH21 H -2.187 1.495 9.285 1.00 . A A . 7 ARG HH21 1 1
5 769 1 1 7 ARG HH22 H -3.280 0.371 10.021 1.00 . A A . 7 ARG HH22 1 1
5 770 1 1 7 ARG N N -2.826 3.981 2.576 1.00 . A A . 7 ARG N 1 1
5 771 1 1 7 ARG NE N -3.012 1.252 7.005 1.00 . A A . 7 ARG NE 1 1
5 772 1 1 7 ARG NH1 N -4.473 -0.234 7.913 1.00 . A A . 7 ARG NH1 1 1
5 773 1 1 7 ARG NH2 N -2.942 0.844 9.208 1.00 . A A . 7 ARG NH2 1 1
5 774 1 1 7 ARG O O 0.090 4.586 4.523 1.00 . A A . 7 ARG O 1 1
5 775 1 1 8 CYS C C 1.482 3.063 1.481 1.00 . A A . 8 CYS C 1 1
5 776 1 1 8 CYS CA C 0.978 2.504 2.821 1.00 . A A . 8 CYS CA 1 1
5 777 1 1 8 CYS CB C 0.937 0.993 2.786 1.00 . A A . 8 CYS CB 1 1
5 778 1 1 8 CYS H H -1.135 2.534 2.547 1.00 . A A . 8 CYS H 1 1
5 779 1 1 8 CYS HA H 1.620 2.847 3.620 1.00 . A A . 8 CYS HA 1 1
5 780 1 1 8 CYS HB2 H -0.075 0.705 3.025 1.00 . A A . 8 CYS HB2 1 1
5 781 1 1 8 CYS HB3 H 1.107 0.667 1.773 1.00 . A A . 8 CYS HB3 1 1
5 782 1 1 8 CYS N N -0.415 2.985 3.040 1.00 . A A . 8 CYS N 1 1
5 783 1 1 8 CYS O O 2.448 3.799 1.419 1.00 . A A . 8 CYS O 1 1
5 784 1 1 8 CYS SG S 2.062 0.056 3.845 1.00 . A A . 8 CYS SG 1 1
5 785 1 1 9 ALA C C 2.523 2.851 -1.398 1.00 . A A . 9 ALA C 1 1
5 786 1 1 9 ALA CA C 1.060 3.069 -0.956 1.00 . A A . 9 ALA CA 1 1
5 787 1 1 9 ALA CB C 0.671 4.556 -1.113 1.00 . A A . 9 ALA CB 1 1
5 788 1 1 9 ALA H H 0.011 2.073 0.620 1.00 . A A . 9 ALA H 1 1
5 789 1 1 9 ALA HA H 0.429 2.478 -1.602 1.00 . A A . 9 ALA HA 1 1
5 790 1 1 9 ALA HB1 H -0.377 4.686 -0.895 1.00 . A A . 9 ALA HB1 1 1
5 791 1 1 9 ALA HB2 H 1.249 5.171 -0.440 1.00 . A A . 9 ALA HB2 1 1
5 792 1 1 9 ALA HB3 H 0.855 4.880 -2.128 1.00 . A A . 9 ALA HB3 1 1
5 793 1 1 9 ALA N N 0.772 2.665 0.453 1.00 . A A . 9 ALA N 1 1
5 794 1 1 9 ALA O O 3.092 3.700 -2.060 1.00 . A A . 9 ALA O 1 1
5 795 1 1 10 TRP C C 4.611 0.835 -2.835 1.00 . A A . 10 TRP C 1 1
5 796 1 1 10 TRP CA C 4.524 1.471 -1.445 1.00 . A A . 10 TRP CA 1 1
5 797 1 1 10 TRP CB C 5.231 0.557 -0.398 1.00 . A A . 10 TRP CB 1 1
5 798 1 1 10 TRP CD1 C 3.467 -0.449 1.097 1.00 . A A . 10 TRP CD1 1 1
5 799 1 1 10 TRP CD2 C 4.392 -1.910 -0.284 1.00 . A A . 10 TRP CD2 1 1
5 800 1 1 10 TRP CE2 C 3.447 -2.590 0.488 1.00 . A A . 10 TRP CE2 1 1
5 801 1 1 10 TRP CE3 C 5.128 -2.609 -1.241 1.00 . A A . 10 TRP CE3 1 1
5 802 1 1 10 TRP CG C 4.382 -0.605 0.110 1.00 . A A . 10 TRP CG 1 1
5 803 1 1 10 TRP CH2 C 3.977 -4.647 -0.651 1.00 . A A . 10 TRP CH2 1 1
5 804 1 1 10 TRP CZ2 C 3.239 -3.954 0.305 1.00 . A A . 10 TRP CZ2 1 1
5 805 1 1 10 TRP CZ3 C 4.920 -3.975 -1.423 1.00 . A A . 10 TRP CZ3 1 1
5 806 1 1 10 TRP H H 2.613 1.072 -0.497 1.00 . A A . 10 TRP H 1 1
5 807 1 1 10 TRP HA H 5.040 2.409 -1.462 1.00 . A A . 10 TRP HA 1 1
5 808 1 1 10 TRP HB2 H 6.160 0.166 -0.788 1.00 . A A . 10 TRP HB2 1 1
5 809 1 1 10 TRP HB3 H 5.462 1.175 0.446 1.00 . A A . 10 TRP HB3 1 1
5 810 1 1 10 TRP HD1 H 3.233 0.474 1.605 1.00 . A A . 10 TRP HD1 1 1
5 811 1 1 10 TRP HE1 H 2.262 -1.825 1.928 1.00 . A A . 10 TRP HE1 1 1
5 812 1 1 10 TRP HE3 H 5.863 -2.096 -1.841 1.00 . A A . 10 TRP HE3 1 1
5 813 1 1 10 TRP HH2 H 3.816 -5.706 -0.795 1.00 . A A . 10 TRP HH2 1 1
5 814 1 1 10 TRP HZ2 H 2.505 -4.474 0.905 1.00 . A A . 10 TRP HZ2 1 1
5 815 1 1 10 TRP HZ3 H 5.492 -4.513 -2.165 1.00 . A A . 10 TRP HZ3 1 1
5 816 1 1 10 TRP N N 3.102 1.729 -1.033 1.00 . A A . 10 TRP N 1 1
5 817 1 1 10 TRP NE1 N 2.961 -1.645 1.265 1.00 . A A . 10 TRP NE1 1 1
5 818 1 1 10 TRP O O 5.412 -0.042 -3.099 1.00 . A A . 10 TRP O 1 1
5 819 1 1 11 ARG C C 3.594 -0.662 -5.222 1.00 . A A . 11 ARG C 1 1
5 820 1 1 11 ARG CA C 3.652 0.869 -5.104 1.00 . A A . 11 ARG CA 1 1
5 821 1 1 11 ARG CB C 4.878 1.426 -5.887 1.00 . A A . 11 ARG CB 1 1
5 822 1 1 11 ARG CD C 3.713 3.666 -6.349 1.00 . A A . 11 ARG CD 1 1
5 823 1 1 11 ARG CG C 4.972 2.973 -5.773 1.00 . A A . 11 ARG CG 1 1
5 824 1 1 11 ARG CZ C 4.234 3.748 -8.751 1.00 . A A . 11 ARG CZ 1 1
5 825 1 1 11 ARG H H 3.147 2.039 -3.382 1.00 . A A . 11 ARG H 1 1
5 826 1 1 11 ARG HA H 2.739 1.263 -5.523 1.00 . A A . 11 ARG HA 1 1
5 827 1 1 11 ARG HB2 H 5.785 0.989 -5.496 1.00 . A A . 11 ARG HB2 1 1
5 828 1 1 11 ARG HB3 H 4.797 1.150 -6.928 1.00 . A A . 11 ARG HB3 1 1
5 829 1 1 11 ARG HD2 H 2.833 3.397 -5.786 1.00 . A A . 11 ARG HD2 1 1
5 830 1 1 11 ARG HD3 H 3.827 4.740 -6.312 1.00 . A A . 11 ARG HD3 1 1
5 831 1 1 11 ARG HE H 2.850 2.561 -7.981 1.00 . A A . 11 ARG HE 1 1
5 832 1 1 11 ARG HG2 H 5.089 3.254 -4.736 1.00 . A A . 11 ARG HG2 1 1
5 833 1 1 11 ARG HG3 H 5.845 3.313 -6.311 1.00 . A A . 11 ARG HG3 1 1
5 834 1 1 11 ARG HH11 H 5.309 4.974 -7.583 1.00 . A A . 11 ARG HH11 1 1
5 835 1 1 11 ARG HH12 H 5.676 5.035 -9.274 1.00 . A A . 11 ARG HH12 1 1
5 836 1 1 11 ARG HH21 H 3.301 2.624 -10.118 1.00 . A A . 11 ARG HH21 1 1
5 837 1 1 11 ARG HH22 H 4.526 3.686 -10.730 1.00 . A A . 11 ARG HH22 1 1
5 838 1 1 11 ARG N N 3.751 1.333 -3.686 1.00 . A A . 11 ARG N 1 1
5 839 1 1 11 ARG NE N 3.524 3.241 -7.774 1.00 . A A . 11 ARG NE 1 1
5 840 1 1 11 ARG NH1 N 5.144 4.657 -8.516 1.00 . A A . 11 ARG NH1 1 1
5 841 1 1 11 ARG NH2 N 4.002 3.319 -9.961 1.00 . A A . 11 ARG NH2 1 1
5 842 1 1 11 ARG O O 3.980 -1.205 -6.240 1.00 . A A . 11 ARG O 1 1
5 843 1 1 12 CYS C C 2.566 -3.407 -5.531 1.00 . A A . 12 CYS C 1 1
5 844 1 1 12 CYS CA C 3.010 -2.809 -4.183 1.00 . A A . 12 CYS CA 1 1
5 845 1 1 12 CYS CB C 2.014 -3.241 -3.125 1.00 . A A . 12 CYS CB 1 1
5 846 1 1 12 CYS H H 2.832 -0.797 -3.380 1.00 . A A . 12 CYS H 1 1
5 847 1 1 12 CYS HA H 3.978 -3.207 -3.924 1.00 . A A . 12 CYS HA 1 1
5 848 1 1 12 CYS HB2 H 1.949 -4.320 -3.126 1.00 . A A . 12 CYS HB2 1 1
5 849 1 1 12 CYS HB3 H 2.405 -2.943 -2.166 1.00 . A A . 12 CYS HB3 1 1
5 850 1 1 12 CYS N N 3.117 -1.306 -4.178 1.00 . A A . 12 CYS N 1 1
5 851 1 1 12 CYS O O 1.612 -2.972 -6.143 1.00 . A A . 12 CYS O 1 1
5 852 1 1 12 CYS SG S 0.333 -2.588 -3.246 1.00 . A A . 12 CYS SG 1 1
5 853 1 1 13 NH2 HN1 H 4.012 -4.768 -5.540 1.00 . A A . 13 NH2 HN1 1 1
5 854 1 1 13 NH2 HN2 H 2.973 -4.803 -6.883 1.00 . A A . 13 NH2 HN2 1 1
5 855 1 1 13 NH2 N N 3.240 -4.410 -6.026 1.00 . A A . 13 NH2 N 1 1
6 856 1 1 1 GLY C C -2.427 -4.357 2.573 1.00 . A A . 1 GLY C 1 1
6 857 1 1 1 GLY CA C -2.536 -5.739 1.924 1.00 . A A . 1 GLY CA 1 1
6 858 1 1 1 GLY H1 H -4.533 -5.844 2.504 1.00 . A A . 1 GLY H1 1 1
6 859 1 1 1 GLY H2 H -4.307 -5.559 0.846 1.00 . A A . 1 GLY H2 1 1
6 860 1 1 1 GLY H3 H -4.041 -7.111 1.485 1.00 . A A . 1 GLY H3 1 1
6 861 1 1 1 GLY HA2 H -2.098 -6.473 2.582 1.00 . A A . 1 GLY HA2 1 1
6 862 1 1 1 GLY HA3 H -2.004 -5.733 0.984 1.00 . A A . 1 GLY HA3 1 1
6 863 1 1 1 GLY N N -3.963 -6.091 1.671 1.00 . A A . 1 GLY N 1 1
6 864 1 1 1 GLY O O -3.413 -3.787 3.003 1.00 . A A . 1 GLY O 1 1
6 865 1 1 2 CYS C C -1.155 -1.489 2.120 1.00 . A A . 2 CYS C 1 1
6 866 1 1 2 CYS CA C -0.968 -2.522 3.230 1.00 . A A . 2 CYS CA 1 1
6 867 1 1 2 CYS CB C 0.463 -2.511 3.803 1.00 . A A . 2 CYS CB 1 1
6 868 1 1 2 CYS H H -0.465 -4.378 2.263 1.00 . A A . 2 CYS H 1 1
6 869 1 1 2 CYS HA H -1.683 -2.316 4.008 1.00 . A A . 2 CYS HA 1 1
6 870 1 1 2 CYS HB2 H 0.589 -3.397 4.407 1.00 . A A . 2 CYS HB2 1 1
6 871 1 1 2 CYS HB3 H 1.168 -2.578 2.988 1.00 . A A . 2 CYS HB3 1 1
6 872 1 1 2 CYS N N -1.216 -3.863 2.625 1.00 . A A . 2 CYS N 1 1
6 873 1 1 2 CYS O O -2.005 -0.628 2.239 1.00 . A A . 2 CYS O 1 1
6 874 1 1 2 CYS SG S 0.927 -1.088 4.822 1.00 . A A . 2 CYS SG 1 1
6 875 1 1 3 CYS C C -1.808 -0.780 -0.799 1.00 . A A . 3 CYS C 1 1
6 876 1 1 3 CYS CA C -0.473 -0.643 -0.068 1.00 . A A . 3 CYS CA 1 1
6 877 1 1 3 CYS CB C 0.679 -0.878 -1.062 1.00 . A A . 3 CYS CB 1 1
6 878 1 1 3 CYS H H 0.290 -2.334 1.070 1.00 . A A . 3 CYS H 1 1
6 879 1 1 3 CYS HA H -0.418 0.363 0.317 1.00 . A A . 3 CYS HA 1 1
6 880 1 1 3 CYS HB2 H 1.516 -0.302 -0.704 1.00 . A A . 3 CYS HB2 1 1
6 881 1 1 3 CYS HB3 H 0.982 -1.909 -1.049 1.00 . A A . 3 CYS HB3 1 1
6 882 1 1 3 CYS N N -0.366 -1.606 1.079 1.00 . A A . 3 CYS N 1 1
6 883 1 1 3 CYS O O -2.172 0.109 -1.545 1.00 . A A . 3 CYS O 1 1
6 884 1 1 3 CYS SG S 0.429 -0.355 -2.776 1.00 . A A . 3 CYS SG 1 1
6 885 1 1 4 SER C C -4.707 -0.860 -0.881 1.00 . A A . 4 SER C 1 1
6 886 1 1 4 SER CA C -3.833 -2.080 -1.247 1.00 . A A . 4 SER CA 1 1
6 887 1 1 4 SER CB C -4.469 -3.384 -0.724 1.00 . A A . 4 SER CB 1 1
6 888 1 1 4 SER H H -2.156 -2.559 0.034 1.00 . A A . 4 SER H 1 1
6 889 1 1 4 SER HA H -3.692 -2.116 -2.318 1.00 . A A . 4 SER HA 1 1
6 890 1 1 4 SER HB2 H -5.440 -3.557 -1.163 1.00 . A A . 4 SER HB2 1 1
6 891 1 1 4 SER HB3 H -3.825 -4.233 -0.900 1.00 . A A . 4 SER HB3 1 1
6 892 1 1 4 SER HG H -4.618 -4.046 1.101 1.00 . A A . 4 SER HG 1 1
6 893 1 1 4 SER N N -2.504 -1.874 -0.574 1.00 . A A . 4 SER N 1 1
6 894 1 1 4 SER O O -5.610 -0.472 -1.596 1.00 . A A . 4 SER O 1 1
6 895 1 1 4 SER OG O -4.611 -3.186 0.675 1.00 . A A . 4 SER OG 1 1
6 896 1 1 5 ASP C C -3.883 1.926 0.803 1.00 . A A . 5 ASP C 1 1
6 897 1 1 5 ASP CA C -5.016 0.875 0.854 1.00 . A A . 5 ASP CA 1 1
6 898 1 1 5 ASP CB C -5.403 0.585 2.304 1.00 . A A . 5 ASP CB 1 1
6 899 1 1 5 ASP CG C -6.183 -0.736 2.388 1.00 . A A . 5 ASP CG 1 1
6 900 1 1 5 ASP H H -3.620 -0.723 0.759 1.00 . A A . 5 ASP H 1 1
6 901 1 1 5 ASP HA H -5.859 1.179 0.251 1.00 . A A . 5 ASP HA 1 1
6 902 1 1 5 ASP HB2 H -4.513 0.508 2.909 1.00 . A A . 5 ASP HB2 1 1
6 903 1 1 5 ASP HB3 H -6.018 1.384 2.692 1.00 . A A . 5 ASP HB3 1 1
6 904 1 1 5 ASP N N -4.359 -0.319 0.260 1.00 . A A . 5 ASP N 1 1
6 905 1 1 5 ASP O O -2.749 1.580 1.080 1.00 . A A . 5 ASP O 1 1
6 906 1 1 5 ASP OD1 O -7.336 -0.720 1.989 1.00 . A A . 5 ASP OD1 1 1
6 907 1 1 5 ASP OD2 O -5.575 -1.689 2.850 1.00 . A A . 5 ASP OD2 1 1
6 908 1 1 6 PRO C C -2.353 4.534 1.572 1.00 . A A . 6 PRO C 1 1
6 909 1 1 6 PRO CA C -3.084 4.176 0.270 1.00 . A A . 6 PRO CA 1 1
6 910 1 1 6 PRO CB C -3.781 5.384 -0.362 1.00 . A A . 6 PRO CB 1 1
6 911 1 1 6 PRO CD C -5.531 3.712 0.238 1.00 . A A . 6 PRO CD 1 1
6 912 1 1 6 PRO CG C -5.297 5.179 -0.167 1.00 . A A . 6 PRO CG 1 1
6 913 1 1 6 PRO HA H -2.340 3.738 -0.384 1.00 . A A . 6 PRO HA 1 1
6 914 1 1 6 PRO HB2 H -3.467 6.307 0.104 1.00 . A A . 6 PRO HB2 1 1
6 915 1 1 6 PRO HB3 H -3.547 5.430 -1.416 1.00 . A A . 6 PRO HB3 1 1
6 916 1 1 6 PRO HD2 H -6.108 3.638 1.149 1.00 . A A . 6 PRO HD2 1 1
6 917 1 1 6 PRO HD3 H -6.015 3.166 -0.558 1.00 . A A . 6 PRO HD3 1 1
6 918 1 1 6 PRO HG2 H -5.662 5.838 0.607 1.00 . A A . 6 PRO HG2 1 1
6 919 1 1 6 PRO HG3 H -5.821 5.397 -1.086 1.00 . A A . 6 PRO HG3 1 1
6 920 1 1 6 PRO N N -4.163 3.163 0.466 1.00 . A A . 6 PRO N 1 1
6 921 1 1 6 PRO O O -1.440 5.338 1.555 1.00 . A A . 6 PRO O 1 1
6 922 1 1 7 ARG C C -0.626 3.886 3.871 1.00 . A A . 7 ARG C 1 1
6 923 1 1 7 ARG CA C -2.134 4.185 3.987 1.00 . A A . 7 ARG CA 1 1
6 924 1 1 7 ARG CB C -2.804 3.260 5.037 1.00 . A A . 7 ARG CB 1 1
6 925 1 1 7 ARG CD C -3.343 0.836 5.621 1.00 . A A . 7 ARG CD 1 1
6 926 1 1 7 ARG CG C -2.540 1.764 4.695 1.00 . A A . 7 ARG CG 1 1
6 927 1 1 7 ARG CZ C -5.680 0.077 5.488 1.00 . A A . 7 ARG CZ 1 1
6 928 1 1 7 ARG H H -3.516 3.294 2.600 1.00 . A A . 7 ARG H 1 1
6 929 1 1 7 ARG HA H -2.274 5.224 4.250 1.00 . A A . 7 ARG HA 1 1
6 930 1 1 7 ARG HB2 H -2.405 3.483 6.016 1.00 . A A . 7 ARG HB2 1 1
6 931 1 1 7 ARG HB3 H -3.866 3.455 5.049 1.00 . A A . 7 ARG HB3 1 1
6 932 1 1 7 ARG HD2 H -3.073 -0.189 5.412 1.00 . A A . 7 ARG HD2 1 1
6 933 1 1 7 ARG HD3 H -3.138 1.055 6.660 1.00 . A A . 7 ARG HD3 1 1
6 934 1 1 7 ARG HE H -5.114 1.927 5.073 1.00 . A A . 7 ARG HE 1 1
6 935 1 1 7 ARG HG2 H -2.803 1.566 3.667 1.00 . A A . 7 ARG HG2 1 1
6 936 1 1 7 ARG HG3 H -1.491 1.543 4.825 1.00 . A A . 7 ARG HG3 1 1
6 937 1 1 7 ARG HH11 H -4.357 -1.320 6.062 1.00 . A A . 7 ARG HH11 1 1
6 938 1 1 7 ARG HH12 H -6.003 -1.841 5.953 1.00 . A A . 7 ARG HH12 1 1
6 939 1 1 7 ARG HH21 H -7.188 1.272 4.939 1.00 . A A . 7 ARG HH21 1 1
6 940 1 1 7 ARG HH22 H -7.624 -0.362 5.315 1.00 . A A . 7 ARG HH22 1 1
6 941 1 1 7 ARG N N -2.771 3.928 2.656 1.00 . A A . 7 ARG N 1 1
6 942 1 1 7 ARG NE N -4.802 1.042 5.356 1.00 . A A . 7 ARG NE 1 1
6 943 1 1 7 ARG NH1 N -5.315 -1.120 5.863 1.00 . A A . 7 ARG NH1 1 1
6 944 1 1 7 ARG NH2 N -6.928 0.351 5.227 1.00 . A A . 7 ARG NH2 1 1
6 945 1 1 7 ARG O O 0.196 4.508 4.516 1.00 . A A . 7 ARG O 1 1
6 946 1 1 8 CYS C C 1.539 3.101 1.441 1.00 . A A . 8 CYS C 1 1
6 947 1 1 8 CYS CA C 1.046 2.465 2.753 1.00 . A A . 8 CYS CA 1 1
6 948 1 1 8 CYS CB C 0.998 0.956 2.640 1.00 . A A . 8 CYS CB 1 1
6 949 1 1 8 CYS H H -1.074 2.472 2.551 1.00 . A A . 8 CYS H 1 1
6 950 1 1 8 CYS HA H 1.697 2.760 3.563 1.00 . A A . 8 CYS HA 1 1
6 951 1 1 8 CYS HB2 H -0.007 0.658 2.891 1.00 . A A . 8 CYS HB2 1 1
6 952 1 1 8 CYS HB3 H 1.134 0.682 1.608 1.00 . A A . 8 CYS HB3 1 1
6 953 1 1 8 CYS N N -0.344 2.924 3.027 1.00 . A A . 8 CYS N 1 1
6 954 1 1 8 CYS O O 2.498 3.847 1.418 1.00 . A A . 8 CYS O 1 1
6 955 1 1 8 CYS SG S 2.153 -0.034 3.617 1.00 . A A . 8 CYS SG 1 1
6 956 1 1 9 ALA C C 2.555 3.000 -1.498 1.00 . A A . 9 ALA C 1 1
6 957 1 1 9 ALA CA C 1.111 3.238 -0.995 1.00 . A A . 9 ALA CA 1 1
6 958 1 1 9 ALA CB C 0.768 4.747 -1.044 1.00 . A A . 9 ALA CB 1 1
6 959 1 1 9 ALA H H 0.078 2.143 0.527 1.00 . A A . 9 ALA H 1 1
6 960 1 1 9 ALA HA H 0.442 2.711 -1.658 1.00 . A A . 9 ALA HA 1 1
6 961 1 1 9 ALA HB1 H -0.272 4.892 -0.795 1.00 . A A . 9 ALA HB1 1 1
6 962 1 1 9 ALA HB2 H 1.377 5.299 -0.344 1.00 . A A . 9 ALA HB2 1 1
6 963 1 1 9 ALA HB3 H 0.940 5.135 -2.037 1.00 . A A . 9 ALA HB3 1 1
6 964 1 1 9 ALA N N 0.832 2.753 0.392 1.00 . A A . 9 ALA N 1 1
6 965 1 1 9 ALA O O 3.103 3.832 -2.199 1.00 . A A . 9 ALA O 1 1
6 966 1 1 10 TRP C C 4.526 0.826 -2.936 1.00 . A A . 10 TRP C 1 1
6 967 1 1 10 TRP CA C 4.543 1.581 -1.598 1.00 . A A . 10 TRP CA 1 1
6 968 1 1 10 TRP CB C 5.296 0.733 -0.516 1.00 . A A . 10 TRP CB 1 1
6 969 1 1 10 TRP CD1 C 3.462 -0.294 0.866 1.00 . A A . 10 TRP CD1 1 1
6 970 1 1 10 TRP CD2 C 4.504 -1.760 -0.420 1.00 . A A . 10 TRP CD2 1 1
6 971 1 1 10 TRP CE2 C 3.512 -2.442 0.292 1.00 . A A . 10 TRP CE2 1 1
6 972 1 1 10 TRP CE3 C 5.316 -2.468 -1.308 1.00 . A A . 10 TRP CE3 1 1
6 973 1 1 10 TRP CG C 4.447 -0.447 -0.046 1.00 . A A . 10 TRP CG 1 1
6 974 1 1 10 TRP CH2 C 4.144 -4.509 -0.770 1.00 . A A . 10 TRP CH2 1 1
6 975 1 1 10 TRP CZ2 C 3.332 -3.811 0.117 1.00 . A A . 10 TRP CZ2 1 1
6 976 1 1 10 TRP CZ3 C 5.135 -3.838 -1.482 1.00 . A A . 10 TRP CZ3 1 1
6 977 1 1 10 TRP H H 2.659 1.243 -0.574 1.00 . A A . 10 TRP H 1 1
6 978 1 1 10 TRP HA H 5.062 2.508 -1.728 1.00 . A A . 10 TRP HA 1 1
6 979 1 1 10 TRP HB2 H 6.230 0.358 -0.906 1.00 . A A . 10 TRP HB2 1 1
6 980 1 1 10 TRP HB3 H 5.514 1.359 0.338 1.00 . A A . 10 TRP HB3 1 1
6 981 1 1 10 TRP HD1 H 3.186 0.634 1.339 1.00 . A A . 10 TRP HD1 1 1
6 982 1 1 10 TRP HE1 H 2.216 -1.673 1.629 1.00 . A A . 10 TRP HE1 1 1
6 983 1 1 10 TRP HE3 H 6.088 -1.958 -1.862 1.00 . A A . 10 TRP HE3 1 1
6 984 1 1 10 TRP HH2 H 4.006 -5.571 -0.907 1.00 . A A . 10 TRP HH2 1 1
6 985 1 1 10 TRP HZ2 H 2.563 -4.329 0.671 1.00 . A A . 10 TRP HZ2 1 1
6 986 1 1 10 TRP HZ3 H 5.766 -4.381 -2.170 1.00 . A A . 10 TRP HZ3 1 1
6 987 1 1 10 TRP N N 3.141 1.880 -1.139 1.00 . A A . 10 TRP N 1 1
6 988 1 1 10 TRP NE1 N 2.959 -1.493 1.017 1.00 . A A . 10 TRP NE1 1 1
6 989 1 1 10 TRP O O 5.274 -0.107 -3.156 1.00 . A A . 10 TRP O 1 1
6 990 1 1 11 ARG C C 3.086 -0.817 -5.085 1.00 . A A . 11 ARG C 1 1
6 991 1 1 11 ARG CA C 3.467 0.681 -5.164 1.00 . A A . 11 ARG CA 1 1
6 992 1 1 11 ARG CB C 4.808 0.903 -5.957 1.00 . A A . 11 ARG CB 1 1
6 993 1 1 11 ARG CD C 3.608 1.213 -8.194 1.00 . A A . 11 ARG CD 1 1
6 994 1 1 11 ARG CG C 4.733 0.464 -7.445 1.00 . A A . 11 ARG CG 1 1
6 995 1 1 11 ARG CZ C 3.030 -0.392 -9.961 1.00 . A A . 11 ARG CZ 1 1
6 996 1 1 11 ARG H H 3.088 2.036 -3.537 1.00 . A A . 11 ARG H 1 1
6 997 1 1 11 ARG HA H 2.658 1.211 -5.644 1.00 . A A . 11 ARG HA 1 1
6 998 1 1 11 ARG HB2 H 5.068 1.951 -5.915 1.00 . A A . 11 ARG HB2 1 1
6 999 1 1 11 ARG HB3 H 5.604 0.346 -5.489 1.00 . A A . 11 ARG HB3 1 1
6 1000 1 1 11 ARG HD2 H 2.641 1.027 -7.752 1.00 . A A . 11 ARG HD2 1 1
6 1001 1 1 11 ARG HD3 H 3.798 2.277 -8.188 1.00 . A A . 11 ARG HD3 1 1
6 1002 1 1 11 ARG HE H 4.011 1.295 -10.306 1.00 . A A . 11 ARG HE 1 1
6 1003 1 1 11 ARG HG2 H 5.673 0.709 -7.916 1.00 . A A . 11 ARG HG2 1 1
6 1004 1 1 11 ARG HG3 H 4.599 -0.604 -7.527 1.00 . A A . 11 ARG HG3 1 1
6 1005 1 1 11 ARG HH11 H 2.449 -0.883 -8.104 1.00 . A A . 11 ARG HH11 1 1
6 1006 1 1 11 ARG HH12 H 2.038 -2.018 -9.344 1.00 . A A . 11 ARG HH12 1 1
6 1007 1 1 11 ARG HH21 H 3.500 -0.130 -11.888 1.00 . A A . 11 ARG HH21 1 1
6 1008 1 1 11 ARG HH22 H 2.640 -1.588 -11.517 1.00 . A A . 11 ARG HH22 1 1
6 1009 1 1 11 ARG N N 3.647 1.277 -3.799 1.00 . A A . 11 ARG N 1 1
6 1010 1 1 11 ARG NE N 3.591 0.742 -9.615 1.00 . A A . 11 ARG NE 1 1
6 1011 1 1 11 ARG NH1 N 2.462 -1.157 -9.065 1.00 . A A . 11 ARG NH1 1 1
6 1012 1 1 11 ARG NH2 N 3.059 -0.729 -11.220 1.00 . A A . 11 ARG NH2 1 1
6 1013 1 1 11 ARG O O 3.036 -1.499 -6.091 1.00 . A A . 11 ARG O 1 1
6 1014 1 1 12 CYS C C 3.472 -3.697 -4.214 1.00 . A A . 12 CYS C 1 1
6 1015 1 1 12 CYS CA C 2.436 -2.711 -3.641 1.00 . A A . 12 CYS CA 1 1
6 1016 1 1 12 CYS CB C 1.042 -2.952 -4.276 1.00 . A A . 12 CYS CB 1 1
6 1017 1 1 12 CYS H H 2.873 -0.673 -3.117 1.00 . A A . 12 CYS H 1 1
6 1018 1 1 12 CYS HA H 2.377 -2.866 -2.574 1.00 . A A . 12 CYS HA 1 1
6 1019 1 1 12 CYS HB2 H 1.097 -2.771 -5.338 1.00 . A A . 12 CYS HB2 1 1
6 1020 1 1 12 CYS HB3 H 0.794 -3.996 -4.145 1.00 . A A . 12 CYS HB3 1 1
6 1021 1 1 12 CYS N N 2.821 -1.281 -3.885 1.00 . A A . 12 CYS N 1 1
6 1022 1 1 12 CYS O O 3.203 -4.863 -4.428 1.00 . A A . 12 CYS O 1 1
6 1023 1 1 12 CYS SG S -0.363 -2.004 -3.636 1.00 . A A . 12 CYS SG 1 1
6 1024 1 1 13 NH2 HN1 H 4.910 -2.331 -4.307 1.00 . A A . 13 NH2 HN1 1 1
6 1025 1 1 13 NH2 HN2 H 5.349 -3.882 -4.837 1.00 . A A . 13 NH2 HN2 1 1
6 1026 1 1 13 NH2 N N 4.677 -3.268 -4.475 1.00 . A A . 13 NH2 N 1 1
7 1027 1 1 1 GLY C C -2.523 -4.177 2.616 1.00 . A A . 1 GLY C 1 1
7 1028 1 1 1 GLY CA C -2.635 -5.616 2.096 1.00 . A A . 1 GLY CA 1 1
7 1029 1 1 1 GLY H1 H -4.571 -5.086 1.534 1.00 . A A . 1 GLY H1 1 1
7 1030 1 1 1 GLY H2 H -4.074 -6.602 0.958 1.00 . A A . 1 GLY H2 1 1
7 1031 1 1 1 GLY H3 H -4.495 -6.411 2.592 1.00 . A A . 1 GLY H3 1 1
7 1032 1 1 1 GLY HA2 H -2.277 -6.297 2.855 1.00 . A A . 1 GLY HA2 1 1
7 1033 1 1 1 GLY HA3 H -2.035 -5.719 1.205 1.00 . A A . 1 GLY HA3 1 1
7 1034 1 1 1 GLY N N -4.051 -5.954 1.770 1.00 . A A . 1 GLY N 1 1
7 1035 1 1 1 GLY O O -3.502 -3.459 2.688 1.00 . A A . 1 GLY O 1 1
7 1036 1 1 2 CYS C C -1.217 -1.454 2.311 1.00 . A A . 2 CYS C 1 1
7 1037 1 1 2 CYS CA C -1.073 -2.423 3.486 1.00 . A A . 2 CYS CA 1 1
7 1038 1 1 2 CYS CB C 0.342 -2.396 4.105 1.00 . A A . 2 CYS CB 1 1
7 1039 1 1 2 CYS H H -0.569 -4.429 2.882 1.00 . A A . 2 CYS H 1 1
7 1040 1 1 2 CYS HA H -1.811 -2.171 4.228 1.00 . A A . 2 CYS HA 1 1
7 1041 1 1 2 CYS HB2 H 0.437 -3.249 4.759 1.00 . A A . 2 CYS HB2 1 1
7 1042 1 1 2 CYS HB3 H 1.070 -2.515 3.317 1.00 . A A . 2 CYS HB3 1 1
7 1043 1 1 2 CYS N N -1.317 -3.802 2.965 1.00 . A A . 2 CYS N 1 1
7 1044 1 1 2 CYS O O -2.072 -0.591 2.347 1.00 . A A . 2 CYS O 1 1
7 1045 1 1 2 CYS SG S 0.797 -0.928 5.062 1.00 . A A . 2 CYS SG 1 1
7 1046 1 1 3 CYS C C -1.749 -0.917 -0.677 1.00 . A A . 3 CYS C 1 1
7 1047 1 1 3 CYS CA C -0.443 -0.738 0.100 1.00 . A A . 3 CYS CA 1 1
7 1048 1 1 3 CYS CB C 0.747 -1.051 -0.797 1.00 . A A . 3 CYS CB 1 1
7 1049 1 1 3 CYS H H 0.271 -2.348 1.371 1.00 . A A . 3 CYS H 1 1
7 1050 1 1 3 CYS HA H -0.368 0.293 0.397 1.00 . A A . 3 CYS HA 1 1
7 1051 1 1 3 CYS HB2 H 1.566 -0.442 -0.466 1.00 . A A . 3 CYS HB2 1 1
7 1052 1 1 3 CYS HB3 H 1.048 -2.072 -0.656 1.00 . A A . 3 CYS HB3 1 1
7 1053 1 1 3 CYS N N -0.388 -1.626 1.310 1.00 . A A . 3 CYS N 1 1
7 1054 1 1 3 CYS O O -2.069 -0.093 -1.513 1.00 . A A . 3 CYS O 1 1
7 1055 1 1 3 CYS SG S 0.627 -0.732 -2.571 1.00 . A A . 3 CYS SG 1 1
7 1056 1 1 4 SER C C -4.660 -1.005 -0.827 1.00 . A A . 4 SER C 1 1
7 1057 1 1 4 SER CA C -3.770 -2.241 -1.083 1.00 . A A . 4 SER CA 1 1
7 1058 1 1 4 SER CB C -4.414 -3.502 -0.488 1.00 . A A . 4 SER CB 1 1
7 1059 1 1 4 SER H H -2.147 -2.609 0.297 1.00 . A A . 4 SER H 1 1
7 1060 1 1 4 SER HA H -3.592 -2.349 -2.143 1.00 . A A . 4 SER HA 1 1
7 1061 1 1 4 SER HB2 H -3.776 -4.365 -0.599 1.00 . A A . 4 SER HB2 1 1
7 1062 1 1 4 SER HB3 H -4.678 -3.363 0.549 1.00 . A A . 4 SER HB3 1 1
7 1063 1 1 4 SER HG H -6.204 -2.972 -1.033 1.00 . A A . 4 SER HG 1 1
7 1064 1 1 4 SER N N -2.466 -1.980 -0.384 1.00 . A A . 4 SER N 1 1
7 1065 1 1 4 SER O O -5.550 -0.684 -1.591 1.00 . A A . 4 SER O 1 1
7 1066 1 1 4 SER OG O -5.599 -3.686 -1.248 1.00 . A A . 4 SER OG 1 1
7 1067 1 1 5 ASP C C -3.899 1.902 0.771 1.00 . A A . 5 ASP C 1 1
7 1068 1 1 5 ASP CA C -5.034 0.854 0.757 1.00 . A A . 5 ASP CA 1 1
7 1069 1 1 5 ASP CB C -5.573 0.599 2.169 1.00 . A A . 5 ASP CB 1 1
7 1070 1 1 5 ASP CG C -6.462 -0.656 2.141 1.00 . A A . 5 ASP CG 1 1
7 1071 1 1 5 ASP H H -3.614 -0.727 0.821 1.00 . A A . 5 ASP H 1 1
7 1072 1 1 5 ASP HA H -5.813 1.139 0.066 1.00 . A A . 5 ASP HA 1 1
7 1073 1 1 5 ASP HB2 H -4.759 0.439 2.863 1.00 . A A . 5 ASP HB2 1 1
7 1074 1 1 5 ASP HB3 H -6.155 1.445 2.507 1.00 . A A . 5 ASP HB3 1 1
7 1075 1 1 5 ASP N N -4.346 -0.373 0.275 1.00 . A A . 5 ASP N 1 1
7 1076 1 1 5 ASP O O -2.790 1.568 1.141 1.00 . A A . 5 ASP O 1 1
7 1077 1 1 5 ASP OD1 O -5.899 -1.722 2.343 1.00 . A A . 5 ASP OD1 1 1
7 1078 1 1 5 ASP OD2 O -7.649 -0.481 1.918 1.00 . A A . 5 ASP OD2 1 1
7 1079 1 1 6 PRO C C -2.359 4.527 1.480 1.00 . A A . 6 PRO C 1 1
7 1080 1 1 6 PRO CA C -3.064 4.125 0.178 1.00 . A A . 6 PRO CA 1 1
7 1081 1 1 6 PRO CB C -3.731 5.313 -0.518 1.00 . A A . 6 PRO CB 1 1
7 1082 1 1 6 PRO CD C -5.514 3.685 0.101 1.00 . A A . 6 PRO CD 1 1
7 1083 1 1 6 PRO CG C -5.254 5.136 -0.343 1.00 . A A . 6 PRO CG 1 1
7 1084 1 1 6 PRO HA H -2.310 3.652 -0.439 1.00 . A A . 6 PRO HA 1 1
7 1085 1 1 6 PRO HB2 H -3.414 6.251 -0.084 1.00 . A A . 6 PRO HB2 1 1
7 1086 1 1 6 PRO HB3 H -3.479 5.312 -1.569 1.00 . A A . 6 PRO HB3 1 1
7 1087 1 1 6 PRO HD2 H -6.115 3.645 0.997 1.00 . A A . 6 PRO HD2 1 1
7 1088 1 1 6 PRO HD3 H -5.983 3.121 -0.692 1.00 . A A . 6 PRO HD3 1 1
7 1089 1 1 6 PRO HG2 H -5.621 5.822 0.406 1.00 . A A . 6 PRO HG2 1 1
7 1090 1 1 6 PRO HG3 H -5.759 5.335 -1.277 1.00 . A A . 6 PRO HG3 1 1
7 1091 1 1 6 PRO N N -4.158 3.129 0.382 1.00 . A A . 6 PRO N 1 1
7 1092 1 1 6 PRO O O -1.426 5.306 1.447 1.00 . A A . 6 PRO O 1 1
7 1093 1 1 7 ARG C C -0.707 3.972 3.851 1.00 . A A . 7 ARG C 1 1
7 1094 1 1 7 ARG CA C -2.212 4.297 3.912 1.00 . A A . 7 ARG CA 1 1
7 1095 1 1 7 ARG CB C -2.919 3.435 4.988 1.00 . A A . 7 ARG CB 1 1
7 1096 1 1 7 ARG CD C -3.577 1.064 5.664 1.00 . A A . 7 ARG CD 1 1
7 1097 1 1 7 ARG CG C -2.775 1.920 4.664 1.00 . A A . 7 ARG CG 1 1
7 1098 1 1 7 ARG CZ C -3.528 2.090 7.908 1.00 . A A . 7 ARG CZ 1 1
7 1099 1 1 7 ARG H H -3.583 3.372 2.534 1.00 . A A . 7 ARG H 1 1
7 1100 1 1 7 ARG HA H -2.341 5.348 4.124 1.00 . A A . 7 ARG HA 1 1
7 1101 1 1 7 ARG HB2 H -2.478 3.648 5.950 1.00 . A A . 7 ARG HB2 1 1
7 1102 1 1 7 ARG HB3 H -3.965 3.702 5.024 1.00 . A A . 7 ARG HB3 1 1
7 1103 1 1 7 ARG HD2 H -4.625 1.327 5.648 1.00 . A A . 7 ARG HD2 1 1
7 1104 1 1 7 ARG HD3 H -3.482 0.021 5.399 1.00 . A A . 7 ARG HD3 1 1
7 1105 1 1 7 ARG HE H -2.229 0.727 7.303 1.00 . A A . 7 ARG HE 1 1
7 1106 1 1 7 ARG HG2 H -3.130 1.720 3.666 1.00 . A A . 7 ARG HG2 1 1
7 1107 1 1 7 ARG HG3 H -1.736 1.628 4.721 1.00 . A A . 7 ARG HG3 1 1
7 1108 1 1 7 ARG HH11 H -4.998 2.748 6.709 1.00 . A A . 7 ARG HH11 1 1
7 1109 1 1 7 ARG HH12 H -4.947 3.447 8.289 1.00 . A A . 7 ARG HH12 1 1
7 1110 1 1 7 ARG HH21 H -2.162 1.612 9.290 1.00 . A A . 7 ARG HH21 1 1
7 1111 1 1 7 ARG HH22 H -3.325 2.803 9.766 1.00 . A A . 7 ARG HH22 1 1
7 1112 1 1 7 ARG N N -2.823 3.987 2.581 1.00 . A A . 7 ARG N 1 1
7 1113 1 1 7 ARG NE N -3.013 1.252 7.041 1.00 . A A . 7 ARG NE 1 1
7 1114 1 1 7 ARG NH1 N -4.572 2.816 7.610 1.00 . A A . 7 ARG NH1 1 1
7 1115 1 1 7 ARG NH2 N -2.961 2.175 9.079 1.00 . A A . 7 ARG NH2 1 1
7 1116 1 1 7 ARG O O 0.104 4.596 4.508 1.00 . A A . 7 ARG O 1 1
7 1117 1 1 8 CYS C C 1.481 3.060 1.479 1.00 . A A . 8 CYS C 1 1
7 1118 1 1 8 CYS CA C 0.979 2.500 2.820 1.00 . A A . 8 CYS CA 1 1
7 1119 1 1 8 CYS CB C 0.933 0.989 2.782 1.00 . A A . 8 CYS CB 1 1
7 1120 1 1 8 CYS H H -1.136 2.533 2.554 1.00 . A A . 8 CYS H 1 1
7 1121 1 1 8 CYS HA H 1.623 2.839 3.618 1.00 . A A . 8 CYS HA 1 1
7 1122 1 1 8 CYS HB2 H -0.077 0.703 3.028 1.00 . A A . 8 CYS HB2 1 1
7 1123 1 1 8 CYS HB3 H 1.098 0.663 1.769 1.00 . A A . 8 CYS HB3 1 1
7 1124 1 1 8 CYS N N -0.413 2.986 3.040 1.00 . A A . 8 CYS N 1 1
7 1125 1 1 8 CYS O O 2.449 3.794 1.417 1.00 . A A . 8 CYS O 1 1
7 1126 1 1 8 CYS SG S 2.063 0.047 3.831 1.00 . A A . 8 CYS SG 1 1
7 1127 1 1 9 ALA C C 2.521 2.856 -1.399 1.00 . A A . 9 ALA C 1 1
7 1128 1 1 9 ALA CA C 1.057 3.071 -0.957 1.00 . A A . 9 ALA CA 1 1
7 1129 1 1 9 ALA CB C 0.663 4.558 -1.112 1.00 . A A . 9 ALA CB 1 1
7 1130 1 1 9 ALA H H 0.007 2.073 0.618 1.00 . A A . 9 ALA H 1 1
7 1131 1 1 9 ALA HA H 0.427 2.479 -1.604 1.00 . A A . 9 ALA HA 1 1
7 1132 1 1 9 ALA HB1 H -0.386 4.684 -0.895 1.00 . A A . 9 ALA HB1 1 1
7 1133 1 1 9 ALA HB2 H 1.238 5.173 -0.437 1.00 . A A . 9 ALA HB2 1 1
7 1134 1 1 9 ALA HB3 H 0.846 4.886 -2.125 1.00 . A A . 9 ALA HB3 1 1
7 1135 1 1 9 ALA N N 0.770 2.665 0.451 1.00 . A A . 9 ALA N 1 1
7 1136 1 1 9 ALA O O 3.093 3.713 -2.048 1.00 . A A . 9 ALA O 1 1
7 1137 1 1 10 TRP C C 4.617 0.839 -2.851 1.00 . A A . 10 TRP C 1 1
7 1138 1 1 10 TRP CA C 4.521 1.472 -1.461 1.00 . A A . 10 TRP CA 1 1
7 1139 1 1 10 TRP CB C 5.228 0.561 -0.413 1.00 . A A . 10 TRP CB 1 1
7 1140 1 1 10 TRP CD1 C 3.461 -0.450 1.076 1.00 . A A . 10 TRP CD1 1 1
7 1141 1 1 10 TRP CD2 C 4.404 -1.910 -0.294 1.00 . A A . 10 TRP CD2 1 1
7 1142 1 1 10 TRP CE2 C 3.459 -2.594 0.476 1.00 . A A . 10 TRP CE2 1 1
7 1143 1 1 10 TRP CE3 C 5.150 -2.607 -1.244 1.00 . A A . 10 TRP CE3 1 1
7 1144 1 1 10 TRP CG C 4.383 -0.603 0.095 1.00 . A A . 10 TRP CG 1 1
7 1145 1 1 10 TRP CH2 C 4.010 -4.651 -0.654 1.00 . A A . 10 TRP CH2 1 1
7 1146 1 1 10 TRP CZ2 C 3.261 -3.961 0.297 1.00 . A A . 10 TRP CZ2 1 1
7 1147 1 1 10 TRP CZ3 C 4.953 -3.974 -1.423 1.00 . A A . 10 TRP CZ3 1 1
7 1148 1 1 10 TRP H H 2.607 1.065 -0.523 1.00 . A A . 10 TRP H 1 1
7 1149 1 1 10 TRP HA H 5.034 2.412 -1.475 1.00 . A A . 10 TRP HA 1 1
7 1150 1 1 10 TRP HB2 H 6.159 0.174 -0.799 1.00 . A A . 10 TRP HB2 1 1
7 1151 1 1 10 TRP HB3 H 5.454 1.181 0.432 1.00 . A A . 10 TRP HB3 1 1
7 1152 1 1 10 TRP HD1 H 3.219 0.472 1.581 1.00 . A A . 10 TRP HD1 1 1
7 1153 1 1 10 TRP HE1 H 2.262 -1.831 1.907 1.00 . A A . 10 TRP HE1 1 1
7 1154 1 1 10 TRP HE3 H 5.884 -2.090 -1.843 1.00 . A A . 10 TRP HE3 1 1
7 1155 1 1 10 TRP HH2 H 3.857 -5.711 -0.794 1.00 . A A . 10 TRP HH2 1 1
7 1156 1 1 10 TRP HZ2 H 2.529 -4.483 0.894 1.00 . A A . 10 TRP HZ2 1 1
7 1157 1 1 10 TRP HZ3 H 5.533 -4.511 -2.160 1.00 . A A . 10 TRP HZ3 1 1
7 1158 1 1 10 TRP N N 3.099 1.728 -1.048 1.00 . A A . 10 TRP N 1 1
7 1159 1 1 10 TRP NE1 N 2.962 -1.650 1.247 1.00 . A A . 10 TRP NE1 1 1
7 1160 1 1 10 TRP O O 5.430 -0.027 -3.117 1.00 . A A . 10 TRP O 1 1
7 1161 1 1 11 ARG C C 3.621 -0.668 -5.218 1.00 . A A . 11 ARG C 1 1
7 1162 1 1 11 ARG CA C 3.657 0.873 -5.123 1.00 . A A . 11 ARG CA 1 1
7 1163 1 1 11 ARG CB C 4.878 1.475 -5.881 1.00 . A A . 11 ARG CB 1 1
7 1164 1 1 11 ARG CD C 5.892 2.045 -8.124 1.00 . A A . 11 ARG CD 1 1
7 1165 1 1 11 ARG CG C 4.682 1.405 -7.419 1.00 . A A . 11 ARG CG 1 1
7 1166 1 1 11 ARG CZ C 8.306 1.626 -8.189 1.00 . A A . 11 ARG CZ 1 1
7 1167 1 1 11 ARG H H 3.142 2.030 -3.395 1.00 . A A . 11 ARG H 1 1
7 1168 1 1 11 ARG HA H 2.738 1.260 -5.539 1.00 . A A . 11 ARG HA 1 1
7 1169 1 1 11 ARG HB2 H 5.003 2.507 -5.586 1.00 . A A . 11 ARG HB2 1 1
7 1170 1 1 11 ARG HB3 H 5.773 0.935 -5.603 1.00 . A A . 11 ARG HB3 1 1
7 1171 1 1 11 ARG HD2 H 5.754 2.026 -9.195 1.00 . A A . 11 ARG HD2 1 1
7 1172 1 1 11 ARG HD3 H 6.022 3.068 -7.799 1.00 . A A . 11 ARG HD3 1 1
7 1173 1 1 11 ARG HE H 7.031 0.453 -7.228 1.00 . A A . 11 ARG HE 1 1
7 1174 1 1 11 ARG HG2 H 4.589 0.386 -7.757 1.00 . A A . 11 ARG HG2 1 1
7 1175 1 1 11 ARG HG3 H 3.785 1.940 -7.695 1.00 . A A . 11 ARG HG3 1 1
7 1176 1 1 11 ARG HH11 H 7.660 3.248 -9.176 1.00 . A A . 11 ARG HH11 1 1
7 1177 1 1 11 ARG HH12 H 9.367 2.967 -9.231 1.00 . A A . 11 ARG HH12 1 1
7 1178 1 1 11 ARG HH21 H 9.188 0.076 -7.285 1.00 . A A . 11 ARG HH21 1 1
7 1179 1 1 11 ARG HH22 H 10.247 1.143 -8.146 1.00 . A A . 11 ARG HH22 1 1
7 1180 1 1 11 ARG N N 3.752 1.331 -3.704 1.00 . A A . 11 ARG N 1 1
7 1181 1 1 11 ARG NE N 7.118 1.260 -7.777 1.00 . A A . 11 ARG NE 1 1
7 1182 1 1 11 ARG NH1 N 8.455 2.698 -8.923 1.00 . A A . 11 ARG NH1 1 1
7 1183 1 1 11 ARG NH2 N 9.327 0.891 -7.847 1.00 . A A . 11 ARG NH2 1 1
7 1184 1 1 11 ARG O O 4.041 -1.232 -6.210 1.00 . A A . 11 ARG O 1 1
7 1185 1 1 12 CYS C C 2.601 -3.420 -5.507 1.00 . A A . 12 CYS C 1 1
7 1186 1 1 12 CYS CA C 3.037 -2.805 -4.164 1.00 . A A . 12 CYS CA 1 1
7 1187 1 1 12 CYS CB C 2.046 -3.240 -3.103 1.00 . A A . 12 CYS CB 1 1
7 1188 1 1 12 CYS H H 2.813 -0.785 -3.393 1.00 . A A . 12 CYS H 1 1
7 1189 1 1 12 CYS HA H 4.011 -3.188 -3.903 1.00 . A A . 12 CYS HA 1 1
7 1190 1 1 12 CYS HB2 H 1.998 -4.319 -3.090 1.00 . A A . 12 CYS HB2 1 1
7 1191 1 1 12 CYS HB3 H 2.430 -2.922 -2.148 1.00 . A A . 12 CYS HB3 1 1
7 1192 1 1 12 CYS N N 3.124 -1.301 -4.178 1.00 . A A . 12 CYS N 1 1
7 1193 1 1 12 CYS O O 1.653 -2.989 -6.132 1.00 . A A . 12 CYS O 1 1
7 1194 1 1 12 CYS SG S 0.354 -2.616 -3.235 1.00 . A A . 12 CYS SG 1 1
7 1195 1 1 13 NH2 HN1 H 4.041 -4.787 -5.485 1.00 . A A . 13 NH2 HN1 1 1
7 1196 1 1 13 NH2 HN2 H 3.012 -4.836 -6.836 1.00 . A A . 13 NH2 HN2 1 1
7 1197 1 1 13 NH2 N N 3.274 -4.432 -5.982 1.00 . A A . 13 NH2 N 1 1
8 1198 1 1 1 GLY C C -2.398 -4.294 2.358 1.00 . A A . 1 GLY C 1 1
8 1199 1 1 1 GLY CA C -2.506 -5.708 1.776 1.00 . A A . 1 GLY CA 1 1
8 1200 1 1 1 GLY H1 H -4.437 -5.277 1.127 1.00 . A A . 1 GLY H1 1 1
8 1201 1 1 1 GLY H2 H -3.975 -6.894 0.898 1.00 . A A . 1 GLY H2 1 1
8 1202 1 1 1 GLY H3 H -4.371 -6.333 2.452 1.00 . A A . 1 GLY H3 1 1
8 1203 1 1 1 GLY HA2 H -2.065 -6.410 2.467 1.00 . A A . 1 GLY HA2 1 1
8 1204 1 1 1 GLY HA3 H -1.976 -5.746 0.835 1.00 . A A . 1 GLY HA3 1 1
8 1205 1 1 1 GLY N N -3.930 -6.082 1.546 1.00 . A A . 1 GLY N 1 1
8 1206 1 1 1 GLY O O -3.389 -3.615 2.550 1.00 . A A . 1 GLY O 1 1
8 1207 1 1 2 CYS C C -1.142 -1.510 2.089 1.00 . A A . 2 CYS C 1 1
8 1208 1 1 2 CYS CA C -0.926 -2.539 3.194 1.00 . A A . 2 CYS CA 1 1
8 1209 1 1 2 CYS CB C 0.511 -2.532 3.745 1.00 . A A . 2 CYS CB 1 1
8 1210 1 1 2 CYS H H -0.423 -4.492 2.443 1.00 . A A . 2 CYS H 1 1
8 1211 1 1 2 CYS HA H -1.624 -2.322 3.978 1.00 . A A . 2 CYS HA 1 1
8 1212 1 1 2 CYS HB2 H 0.644 -3.427 4.332 1.00 . A A . 2 CYS HB2 1 1
8 1213 1 1 2 CYS HB3 H 1.203 -2.588 2.918 1.00 . A A . 2 CYS HB3 1 1
8 1214 1 1 2 CYS N N -1.179 -3.896 2.623 1.00 . A A . 2 CYS N 1 1
8 1215 1 1 2 CYS O O -2.005 -0.666 2.225 1.00 . A A . 2 CYS O 1 1
8 1216 1 1 2 CYS SG S 0.989 -1.126 4.778 1.00 . A A . 2 CYS SG 1 1
8 1217 1 1 3 CYS C C -1.878 -0.801 -0.794 1.00 . A A . 3 CYS C 1 1
8 1218 1 1 3 CYS CA C -0.520 -0.639 -0.105 1.00 . A A . 3 CYS CA 1 1
8 1219 1 1 3 CYS CB C 0.621 -0.862 -1.121 1.00 . A A . 3 CYS CB 1 1
8 1220 1 1 3 CYS H H 0.304 -2.319 1.010 1.00 . A A . 3 CYS H 1 1
8 1221 1 1 3 CYS HA H -0.471 0.366 0.281 1.00 . A A . 3 CYS HA 1 1
8 1222 1 1 3 CYS HB2 H 1.447 -0.260 -0.782 1.00 . A A . 3 CYS HB2 1 1
8 1223 1 1 3 CYS HB3 H 0.949 -1.884 -1.092 1.00 . A A . 3 CYS HB3 1 1
8 1224 1 1 3 CYS N N -0.369 -1.607 1.035 1.00 . A A . 3 CYS N 1 1
8 1225 1 1 3 CYS O O -2.261 0.051 -1.574 1.00 . A A . 3 CYS O 1 1
8 1226 1 1 3 CYS SG S 0.350 -0.374 -2.844 1.00 . A A . 3 CYS SG 1 1
8 1227 1 1 4 SER C C -4.797 -0.911 -0.734 1.00 . A A . 4 SER C 1 1
8 1228 1 1 4 SER CA C -3.918 -2.122 -1.112 1.00 . A A . 4 SER CA 1 1
8 1229 1 1 4 SER CB C -4.508 -3.418 -0.535 1.00 . A A . 4 SER CB 1 1
8 1230 1 1 4 SER H H -2.203 -2.532 0.138 1.00 . A A . 4 SER H 1 1
8 1231 1 1 4 SER HA H -3.817 -2.175 -2.187 1.00 . A A . 4 SER HA 1 1
8 1232 1 1 4 SER HB2 H -3.875 -4.268 -0.743 1.00 . A A . 4 SER HB2 1 1
8 1233 1 1 4 SER HB3 H -4.691 -3.337 0.525 1.00 . A A . 4 SER HB3 1 1
8 1234 1 1 4 SER HG H -5.614 -3.380 -2.139 1.00 . A A . 4 SER HG 1 1
8 1235 1 1 4 SER N N -2.569 -1.879 -0.495 1.00 . A A . 4 SER N 1 1
8 1236 1 1 4 SER O O -5.736 -0.557 -1.420 1.00 . A A . 4 SER O 1 1
8 1237 1 1 4 SER OG O -5.749 -3.577 -1.211 1.00 . A A . 4 SER OG 1 1
8 1238 1 1 5 ASP C C -3.954 1.916 0.928 1.00 . A A . 5 ASP C 1 1
8 1239 1 1 5 ASP CA C -5.078 0.857 0.970 1.00 . A A . 5 ASP CA 1 1
8 1240 1 1 5 ASP CB C -5.479 0.549 2.413 1.00 . A A . 5 ASP CB 1 1
8 1241 1 1 5 ASP CG C -6.329 -0.731 2.447 1.00 . A A . 5 ASP CG 1 1
8 1242 1 1 5 ASP H H -3.648 -0.713 0.857 1.00 . A A . 5 ASP H 1 1
8 1243 1 1 5 ASP HA H -5.920 1.155 0.363 1.00 . A A . 5 ASP HA 1 1
8 1244 1 1 5 ASP HB2 H -4.591 0.393 3.004 1.00 . A A . 5 ASP HB2 1 1
8 1245 1 1 5 ASP HB3 H -6.042 1.368 2.836 1.00 . A A . 5 ASP HB3 1 1
8 1246 1 1 5 ASP N N -4.416 -0.336 0.379 1.00 . A A . 5 ASP N 1 1
8 1247 1 1 5 ASP O O -2.831 1.594 1.263 1.00 . A A . 5 ASP O 1 1
8 1248 1 1 5 ASP OD1 O -7.528 -0.596 2.261 1.00 . A A . 5 ASP OD1 1 1
8 1249 1 1 5 ASP OD2 O -5.724 -1.771 2.655 1.00 . A A . 5 ASP OD2 1 1
8 1250 1 1 6 PRO C C -2.366 4.544 1.489 1.00 . A A . 6 PRO C 1 1
8 1251 1 1 6 PRO CA C -3.163 4.131 0.245 1.00 . A A . 6 PRO CA 1 1
8 1252 1 1 6 PRO CB C -3.882 5.314 -0.410 1.00 . A A . 6 PRO CB 1 1
8 1253 1 1 6 PRO CD C -5.612 3.681 0.323 1.00 . A A . 6 PRO CD 1 1
8 1254 1 1 6 PRO CG C -5.386 5.136 -0.122 1.00 . A A . 6 PRO CG 1 1
8 1255 1 1 6 PRO HA H -2.453 3.657 -0.420 1.00 . A A . 6 PRO HA 1 1
8 1256 1 1 6 PRO HB2 H -3.536 6.256 -0.007 1.00 . A A . 6 PRO HB2 1 1
8 1257 1 1 6 PRO HB3 H -3.708 5.305 -1.476 1.00 . A A . 6 PRO HB3 1 1
8 1258 1 1 6 PRO HD2 H -6.170 3.628 1.246 1.00 . A A . 6 PRO HD2 1 1
8 1259 1 1 6 PRO HD3 H -6.114 3.118 -0.451 1.00 . A A . 6 PRO HD3 1 1
8 1260 1 1 6 PRO HG2 H -5.695 5.813 0.661 1.00 . A A . 6 PRO HG2 1 1
8 1261 1 1 6 PRO HG3 H -5.963 5.346 -1.011 1.00 . A A . 6 PRO HG3 1 1
8 1262 1 1 6 PRO N N -4.239 3.135 0.532 1.00 . A A . 6 PRO N 1 1
8 1263 1 1 6 PRO O O -1.423 5.305 1.382 1.00 . A A . 6 PRO O 1 1
8 1264 1 1 7 ARG C C -0.578 3.964 3.778 1.00 . A A . 7 ARG C 1 1
8 1265 1 1 7 ARG CA C -2.061 4.354 3.905 1.00 . A A . 7 ARG CA 1 1
8 1266 1 1 7 ARG CB C -2.756 3.575 5.050 1.00 . A A . 7 ARG CB 1 1
8 1267 1 1 7 ARG CD C -3.775 1.405 5.803 1.00 . A A . 7 ARG CD 1 1
8 1268 1 1 7 ARG CG C -2.871 2.057 4.734 1.00 . A A . 7 ARG CG 1 1
8 1269 1 1 7 ARG CZ C -3.349 -0.989 5.418 1.00 . A A . 7 ARG CZ 1 1
8 1270 1 1 7 ARG H H -3.537 3.430 2.640 1.00 . A A . 7 ARG H 1 1
8 1271 1 1 7 ARG HA H -2.130 5.418 4.083 1.00 . A A . 7 ARG HA 1 1
8 1272 1 1 7 ARG HB2 H -2.192 3.707 5.962 1.00 . A A . 7 ARG HB2 1 1
8 1273 1 1 7 ARG HB3 H -3.742 3.990 5.200 1.00 . A A . 7 ARG HB3 1 1
8 1274 1 1 7 ARG HD2 H -3.263 1.340 6.752 1.00 . A A . 7 ARG HD2 1 1
8 1275 1 1 7 ARG HD3 H -4.679 1.985 5.931 1.00 . A A . 7 ARG HD3 1 1
8 1276 1 1 7 ARG HE H -5.064 -0.110 4.991 1.00 . A A . 7 ARG HE 1 1
8 1277 1 1 7 ARG HG2 H -3.285 1.884 3.754 1.00 . A A . 7 ARG HG2 1 1
8 1278 1 1 7 ARG HG3 H -1.890 1.605 4.773 1.00 . A A . 7 ARG HG3 1 1
8 1279 1 1 7 ARG HH11 H -1.821 0.047 6.204 1.00 . A A . 7 ARG HH11 1 1
8 1280 1 1 7 ARG HH12 H -1.529 -1.638 5.935 1.00 . A A . 7 ARG HH12 1 1
8 1281 1 1 7 ARG HH21 H -4.723 -2.218 4.645 1.00 . A A . 7 ARG HH21 1 1
8 1282 1 1 7 ARG HH22 H -3.202 -2.948 5.035 1.00 . A A . 7 ARG HH22 1 1
8 1283 1 1 7 ARG N N -2.765 4.032 2.626 1.00 . A A . 7 ARG N 1 1
8 1284 1 1 7 ARG NE N -4.164 0.032 5.351 1.00 . A A . 7 ARG NE 1 1
8 1285 1 1 7 ARG NH1 N -2.139 -0.848 5.890 1.00 . A A . 7 ARG NH1 1 1
8 1286 1 1 7 ARG NH2 N -3.793 -2.142 5.000 1.00 . A A . 7 ARG NH2 1 1
8 1287 1 1 7 ARG O O 0.281 4.575 4.383 1.00 . A A . 7 ARG O 1 1
8 1288 1 1 8 CYS C C 1.556 3.055 1.428 1.00 . A A . 8 CYS C 1 1
8 1289 1 1 8 CYS CA C 1.035 2.438 2.739 1.00 . A A . 8 CYS CA 1 1
8 1290 1 1 8 CYS CB C 0.953 0.938 2.620 1.00 . A A . 8 CYS CB 1 1
8 1291 1 1 8 CYS H H -1.087 2.493 2.531 1.00 . A A . 8 CYS H 1 1
8 1292 1 1 8 CYS HA H 1.685 2.717 3.556 1.00 . A A . 8 CYS HA 1 1
8 1293 1 1 8 CYS HB2 H -0.048 0.656 2.904 1.00 . A A . 8 CYS HB2 1 1
8 1294 1 1 8 CYS HB3 H 1.053 0.665 1.584 1.00 . A A . 8 CYS HB3 1 1
8 1295 1 1 8 CYS N N -0.344 2.949 2.983 1.00 . A A . 8 CYS N 1 1
8 1296 1 1 8 CYS O O 2.543 3.766 1.407 1.00 . A A . 8 CYS O 1 1
8 1297 1 1 8 CYS SG S 2.156 -0.054 3.534 1.00 . A A . 8 CYS SG 1 1
8 1298 1 1 9 ALA C C 2.592 2.979 -1.479 1.00 . A A . 9 ALA C 1 1
8 1299 1 1 9 ALA CA C 1.137 3.204 -1.005 1.00 . A A . 9 ALA CA 1 1
8 1300 1 1 9 ALA CB C 0.770 4.709 -1.075 1.00 . A A . 9 ALA CB 1 1
8 1301 1 1 9 ALA H H 0.061 2.152 0.514 1.00 . A A . 9 ALA H 1 1
8 1302 1 1 9 ALA HA H 0.486 2.657 -1.670 1.00 . A A . 9 ALA HA 1 1
8 1303 1 1 9 ALA HB1 H -0.279 4.841 -0.854 1.00 . A A . 9 ALA HB1 1 1
8 1304 1 1 9 ALA HB2 H 1.351 5.275 -0.363 1.00 . A A . 9 ALA HB2 1 1
8 1305 1 1 9 ALA HB3 H 0.960 5.096 -2.066 1.00 . A A . 9 ALA HB3 1 1
8 1306 1 1 9 ALA N N 0.838 2.733 0.381 1.00 . A A . 9 ALA N 1 1
8 1307 1 1 9 ALA O O 3.157 3.822 -2.151 1.00 . A A . 9 ALA O 1 1
8 1308 1 1 10 TRP C C 4.573 0.819 -2.897 1.00 . A A . 10 TRP C 1 1
8 1309 1 1 10 TRP CA C 4.577 1.551 -1.548 1.00 . A A . 10 TRP CA 1 1
8 1310 1 1 10 TRP CB C 5.295 0.672 -0.469 1.00 . A A . 10 TRP CB 1 1
8 1311 1 1 10 TRP CD1 C 3.394 -0.425 0.761 1.00 . A A . 10 TRP CD1 1 1
8 1312 1 1 10 TRP CD2 C 4.538 -1.834 -0.501 1.00 . A A . 10 TRP CD2 1 1
8 1313 1 1 10 TRP CE2 C 3.514 -2.552 0.125 1.00 . A A . 10 TRP CE2 1 1
8 1314 1 1 10 TRP CE3 C 5.414 -2.502 -1.358 1.00 . A A . 10 TRP CE3 1 1
8 1315 1 1 10 TRP CG C 4.437 -0.534 -0.091 1.00 . A A . 10 TRP CG 1 1
8 1316 1 1 10 TRP CH2 C 4.244 -4.575 -0.960 1.00 . A A . 10 TRP CH2 1 1
8 1317 1 1 10 TRP CZ2 C 3.366 -3.916 -0.105 1.00 . A A . 10 TRP CZ2 1 1
8 1318 1 1 10 TRP CZ3 C 5.267 -3.867 -1.586 1.00 . A A . 10 TRP CZ3 1 1
8 1319 1 1 10 TRP H H 2.664 1.209 -0.581 1.00 . A A . 10 TRP H 1 1
8 1320 1 1 10 TRP HA H 5.102 2.478 -1.655 1.00 . A A . 10 TRP HA 1 1
8 1321 1 1 10 TRP HB2 H 6.250 0.324 -0.836 1.00 . A A . 10 TRP HB2 1 1
8 1322 1 1 10 TRP HB3 H 5.469 1.262 0.420 1.00 . A A . 10 TRP HB3 1 1
8 1323 1 1 10 TRP HD1 H 3.075 0.485 1.241 1.00 . A A . 10 TRP HD1 1 1
8 1324 1 1 10 TRP HE1 H 2.124 -1.843 1.401 1.00 . A A . 10 TRP HE1 1 1
8 1325 1 1 10 TRP HE3 H 6.212 -1.963 -1.845 1.00 . A A . 10 TRP HE3 1 1
8 1326 1 1 10 TRP HH2 H 4.130 -5.634 -1.139 1.00 . A A . 10 TRP HH2 1 1
8 1327 1 1 10 TRP HZ2 H 2.572 -4.462 0.383 1.00 . A A . 10 TRP HZ2 1 1
8 1328 1 1 10 TRP HZ3 H 5.947 -4.380 -2.250 1.00 . A A . 10 TRP HZ3 1 1
8 1329 1 1 10 TRP N N 3.165 1.852 -1.123 1.00 . A A . 10 TRP N 1 1
8 1330 1 1 10 TRP NE1 N 2.901 -1.635 0.842 1.00 . A A . 10 TRP NE1 1 1
8 1331 1 1 10 TRP O O 5.336 -0.099 -3.132 1.00 . A A . 10 TRP O 1 1
8 1332 1 1 11 ARG C C 3.134 -0.797 -5.072 1.00 . A A . 11 ARG C 1 1
8 1333 1 1 11 ARG CA C 3.517 0.697 -5.126 1.00 . A A . 11 ARG CA 1 1
8 1334 1 1 11 ARG CB C 4.846 0.871 -5.929 1.00 . A A . 11 ARG CB 1 1
8 1335 1 1 11 ARG CD C 4.539 3.112 -7.165 1.00 . A A . 11 ARG CD 1 1
8 1336 1 1 11 ARG CG C 5.280 2.364 -6.033 1.00 . A A . 11 ARG CG 1 1
8 1337 1 1 11 ARG CZ C 2.162 2.690 -7.697 1.00 . A A . 11 ARG CZ 1 1
8 1338 1 1 11 ARG H H 3.121 2.022 -3.475 1.00 . A A . 11 ARG H 1 1
8 1339 1 1 11 ARG HA H 2.706 1.221 -5.606 1.00 . A A . 11 ARG HA 1 1
8 1340 1 1 11 ARG HB2 H 5.639 0.303 -5.467 1.00 . A A . 11 ARG HB2 1 1
8 1341 1 1 11 ARG HB3 H 4.704 0.481 -6.927 1.00 . A A . 11 ARG HB3 1 1
8 1342 1 1 11 ARG HD2 H 4.907 4.126 -7.225 1.00 . A A . 11 ARG HD2 1 1
8 1343 1 1 11 ARG HD3 H 4.727 2.624 -8.108 1.00 . A A . 11 ARG HD3 1 1
8 1344 1 1 11 ARG HE H 2.771 3.565 -6.034 1.00 . A A . 11 ARG HE 1 1
8 1345 1 1 11 ARG HG2 H 5.095 2.869 -5.096 1.00 . A A . 11 ARG HG2 1 1
8 1346 1 1 11 ARG HG3 H 6.342 2.405 -6.228 1.00 . A A . 11 ARG HG3 1 1
8 1347 1 1 11 ARG HH11 H 3.444 2.059 -9.113 1.00 . A A . 11 ARG HH11 1 1
8 1348 1 1 11 ARG HH12 H 1.769 1.789 -9.440 1.00 . A A . 11 ARG HH12 1 1
8 1349 1 1 11 ARG HH21 H 0.675 3.216 -6.465 1.00 . A A . 11 ARG HH21 1 1
8 1350 1 1 11 ARG HH22 H 0.192 2.443 -7.938 1.00 . A A . 11 ARG HH22 1 1
8 1351 1 1 11 ARG N N 3.689 1.273 -3.751 1.00 . A A . 11 ARG N 1 1
8 1352 1 1 11 ARG NE N 3.070 3.161 -6.875 1.00 . A A . 11 ARG NE 1 1
8 1353 1 1 11 ARG NH1 N 2.487 2.138 -8.837 1.00 . A A . 11 ARG NH1 1 1
8 1354 1 1 11 ARG NH2 N 0.912 2.792 -7.338 1.00 . A A . 11 ARG NH2 1 1
8 1355 1 1 11 ARG O O 3.104 -1.454 -6.095 1.00 . A A . 11 ARG O 1 1
8 1356 1 1 12 CYS C C 3.504 -3.707 -4.177 1.00 . A A . 12 CYS C 1 1
8 1357 1 1 12 CYS CA C 2.459 -2.707 -3.651 1.00 . A A . 12 CYS CA 1 1
8 1358 1 1 12 CYS CB C 1.087 -2.954 -4.332 1.00 . A A . 12 CYS CB 1 1
8 1359 1 1 12 CYS H H 2.894 -0.679 -3.107 1.00 . A A . 12 CYS H 1 1
8 1360 1 1 12 CYS HA H 2.356 -2.859 -2.587 1.00 . A A . 12 CYS HA 1 1
8 1361 1 1 12 CYS HB2 H 1.166 -2.731 -5.384 1.00 . A A . 12 CYS HB2 1 1
8 1362 1 1 12 CYS HB3 H 0.861 -4.007 -4.248 1.00 . A A . 12 CYS HB3 1 1
8 1363 1 1 12 CYS N N 2.850 -1.278 -3.881 1.00 . A A . 12 CYS N 1 1
8 1364 1 1 12 CYS O O 4.542 -3.342 -4.695 1.00 . A A . 12 CYS O 1 1
8 1365 1 1 12 CYS SG S -0.358 -2.065 -3.693 1.00 . A A . 12 CYS SG 1 1
8 1366 1 1 13 NH2 HN1 H 2.440 -5.297 -3.647 1.00 . A A . 13 NH2 HN1 1 1
8 1367 1 1 13 NH2 HN2 H 3.928 -5.635 -4.388 1.00 . A A . 13 NH2 HN2 1 1
8 1368 1 1 13 NH2 N N 3.271 -4.986 -4.061 1.00 . A A . 13 NH2 N 1 1
9 1369 1 1 1 GLY C C -2.362 -4.294 2.329 1.00 . A A . 1 GLY C 1 1
9 1370 1 1 1 GLY CA C -2.430 -5.709 1.745 1.00 . A A . 1 GLY CA 1 1
9 1371 1 1 1 GLY H1 H -4.383 -6.021 2.395 1.00 . A A . 1 GLY H1 1 1
9 1372 1 1 1 GLY H2 H -4.266 -5.498 0.784 1.00 . A A . 1 GLY H2 1 1
9 1373 1 1 1 GLY H3 H -3.874 -7.101 1.186 1.00 . A A . 1 GLY H3 1 1
9 1374 1 1 1 GLY HA2 H -1.978 -6.403 2.439 1.00 . A A . 1 GLY HA2 1 1
9 1375 1 1 1 GLY HA3 H -1.895 -5.734 0.808 1.00 . A A . 1 GLY HA3 1 1
9 1376 1 1 1 GLY N N -3.846 -6.114 1.509 1.00 . A A . 1 GLY N 1 1
9 1377 1 1 1 GLY O O -3.367 -3.621 2.462 1.00 . A A . 1 GLY O 1 1
9 1378 1 1 2 CYS C C -1.152 -1.495 2.132 1.00 . A A . 2 CYS C 1 1
9 1379 1 1 2 CYS CA C -0.953 -2.526 3.242 1.00 . A A . 2 CYS CA 1 1
9 1380 1 1 2 CYS CB C 0.469 -2.483 3.831 1.00 . A A . 2 CYS CB 1 1
9 1381 1 1 2 CYS H H -0.394 -4.479 2.526 1.00 . A A . 2 CYS H 1 1
9 1382 1 1 2 CYS HA H -1.679 -2.332 4.013 1.00 . A A . 2 CYS HA 1 1
9 1383 1 1 2 CYS HB2 H 0.606 -3.367 4.435 1.00 . A A . 2 CYS HB2 1 1
9 1384 1 1 2 CYS HB3 H 1.182 -2.540 3.023 1.00 . A A . 2 CYS HB3 1 1
9 1385 1 1 2 CYS N N -1.162 -3.886 2.661 1.00 . A A . 2 CYS N 1 1
9 1386 1 1 2 CYS O O -2.020 -0.652 2.247 1.00 . A A . 2 CYS O 1 1
9 1387 1 1 2 CYS SG S 0.899 -1.051 4.850 1.00 . A A . 2 CYS SG 1 1
9 1388 1 1 3 CYS C C -1.824 -0.773 -0.769 1.00 . A A . 3 CYS C 1 1
9 1389 1 1 3 CYS CA C -0.481 -0.628 -0.051 1.00 . A A . 3 CYS CA 1 1
9 1390 1 1 3 CYS CB C 0.659 -0.861 -1.056 1.00 . A A . 3 CYS CB 1 1
9 1391 1 1 3 CYS H H 0.317 -2.304 1.088 1.00 . A A . 3 CYS H 1 1
9 1392 1 1 3 CYS HA H -0.424 0.378 0.333 1.00 . A A . 3 CYS HA 1 1
9 1393 1 1 3 CYS HB2 H 1.503 -0.290 -0.710 1.00 . A A . 3 CYS HB2 1 1
9 1394 1 1 3 CYS HB3 H 0.953 -1.894 -1.045 1.00 . A A . 3 CYS HB3 1 1
9 1395 1 1 3 CYS N N -0.356 -1.592 1.095 1.00 . A A . 3 CYS N 1 1
9 1396 1 1 3 CYS O O -2.203 0.114 -1.512 1.00 . A A . 3 CYS O 1 1
9 1397 1 1 3 CYS SG S 0.386 -0.345 -2.770 1.00 . A A . 3 CYS SG 1 1
9 1398 1 1 4 SER C C -4.730 -0.889 -0.837 1.00 . A A . 4 SER C 1 1
9 1399 1 1 4 SER CA C -3.843 -2.097 -1.192 1.00 . A A . 4 SER CA 1 1
9 1400 1 1 4 SER CB C -4.473 -3.386 -0.648 1.00 . A A . 4 SER CB 1 1
9 1401 1 1 4 SER H H -2.145 -2.553 0.069 1.00 . A A . 4 SER H 1 1
9 1402 1 1 4 SER HA H -3.714 -2.147 -2.264 1.00 . A A . 4 SER HA 1 1
9 1403 1 1 4 SER HB2 H -4.640 -3.334 0.417 1.00 . A A . 4 SER HB2 1 1
9 1404 1 1 4 SER HB3 H -5.396 -3.620 -1.157 1.00 . A A . 4 SER HB3 1 1
9 1405 1 1 4 SER HG H -3.346 -4.386 -1.879 1.00 . A A . 4 SER HG 1 1
9 1406 1 1 4 SER N N -2.507 -1.872 -0.537 1.00 . A A . 4 SER N 1 1
9 1407 1 1 4 SER O O -5.646 -0.529 -1.550 1.00 . A A . 4 SER O 1 1
9 1408 1 1 4 SER OG O -3.509 -4.389 -0.933 1.00 . A A . 4 SER OG 1 1
9 1409 1 1 5 ASP C C -3.929 1.923 0.868 1.00 . A A . 5 ASP C 1 1
9 1410 1 1 5 ASP CA C -5.060 0.869 0.868 1.00 . A A . 5 ASP CA 1 1
9 1411 1 1 5 ASP CB C -5.514 0.540 2.296 1.00 . A A . 5 ASP CB 1 1
9 1412 1 1 5 ASP CG C -6.354 -0.750 2.265 1.00 . A A . 5 ASP CG 1 1
9 1413 1 1 5 ASP H H -3.632 -0.703 0.789 1.00 . A A . 5 ASP H 1 1
9 1414 1 1 5 ASP HA H -5.878 1.176 0.237 1.00 . A A . 5 ASP HA 1 1
9 1415 1 1 5 ASP HB2 H -4.661 0.388 2.941 1.00 . A A . 5 ASP HB2 1 1
9 1416 1 1 5 ASP HB3 H -6.111 1.348 2.694 1.00 . A A . 5 ASP HB3 1 1
9 1417 1 1 5 ASP N N -4.383 -0.322 0.291 1.00 . A A . 5 ASP N 1 1
9 1418 1 1 5 ASP O O -2.814 1.591 1.222 1.00 . A A . 5 ASP O 1 1
9 1419 1 1 5 ASP OD1 O -7.554 -0.619 2.091 1.00 . A A . 5 ASP OD1 1 1
9 1420 1 1 5 ASP OD2 O -5.740 -1.795 2.414 1.00 . A A . 5 ASP OD2 1 1
9 1421 1 1 6 PRO C C -2.350 4.528 1.526 1.00 . A A . 6 PRO C 1 1
9 1422 1 1 6 PRO CA C -3.111 4.147 0.249 1.00 . A A . 6 PRO CA 1 1
9 1423 1 1 6 PRO CB C -3.803 5.348 -0.400 1.00 . A A . 6 PRO CB 1 1
9 1424 1 1 6 PRO CD C -5.562 3.703 0.240 1.00 . A A . 6 PRO CD 1 1
9 1425 1 1 6 PRO CG C -5.319 5.164 -0.180 1.00 . A A . 6 PRO CG 1 1
9 1426 1 1 6 PRO HA H -2.384 3.687 -0.409 1.00 . A A . 6 PRO HA 1 1
9 1427 1 1 6 PRO HB2 H -3.474 6.278 0.042 1.00 . A A . 6 PRO HB2 1 1
9 1428 1 1 6 PRO HB3 H -3.587 5.369 -1.459 1.00 . A A . 6 PRO HB3 1 1
9 1429 1 1 6 PRO HD2 H -6.147 3.641 1.146 1.00 . A A . 6 PRO HD2 1 1
9 1430 1 1 6 PRO HD3 H -6.042 3.151 -0.556 1.00 . A A . 6 PRO HD3 1 1
9 1431 1 1 6 PRO HG2 H -5.664 5.833 0.595 1.00 . A A . 6 PRO HG2 1 1
9 1432 1 1 6 PRO HG3 H -5.856 5.381 -1.091 1.00 . A A . 6 PRO HG3 1 1
9 1433 1 1 6 PRO N N -4.197 3.149 0.485 1.00 . A A . 6 PRO N 1 1
9 1434 1 1 6 PRO O O -1.408 5.295 1.463 1.00 . A A . 6 PRO O 1 1
9 1435 1 1 7 ARG C C -0.609 3.960 3.826 1.00 . A A . 7 ARG C 1 1
9 1436 1 1 7 ARG CA C -2.113 4.271 3.950 1.00 . A A . 7 ARG CA 1 1
9 1437 1 1 7 ARG CB C -2.763 3.384 5.042 1.00 . A A . 7 ARG CB 1 1
9 1438 1 1 7 ARG CD C -3.316 0.997 5.727 1.00 . A A . 7 ARG CD 1 1
9 1439 1 1 7 ARG CG C -2.656 1.878 4.659 1.00 . A A . 7 ARG CG 1 1
9 1440 1 1 7 ARG CZ C -2.628 0.259 7.965 1.00 . A A . 7 ARG CZ 1 1
9 1441 1 1 7 ARG H H -3.548 3.381 2.617 1.00 . A A . 7 ARG H 1 1
9 1442 1 1 7 ARG HA H -2.241 5.317 4.188 1.00 . A A . 7 ARG HA 1 1
9 1443 1 1 7 ARG HB2 H -2.269 3.561 5.986 1.00 . A A . 7 ARG HB2 1 1
9 1444 1 1 7 ARG HB3 H -3.804 3.657 5.146 1.00 . A A . 7 ARG HB3 1 1
9 1445 1 1 7 ARG HD2 H -4.342 1.294 5.895 1.00 . A A . 7 ARG HD2 1 1
9 1446 1 1 7 ARG HD3 H -3.289 -0.036 5.410 1.00 . A A . 7 ARG HD3 1 1
9 1447 1 1 7 ARG HE H -1.968 1.927 7.124 1.00 . A A . 7 ARG HE 1 1
9 1448 1 1 7 ARG HG2 H -3.138 1.705 3.710 1.00 . A A . 7 ARG HG2 1 1
9 1449 1 1 7 ARG HG3 H -1.620 1.587 4.576 1.00 . A A . 7 ARG HG3 1 1
9 1450 1 1 7 ARG HH11 H -3.924 -0.935 7.007 1.00 . A A . 7 ARG HH11 1 1
9 1451 1 1 7 ARG HH12 H -3.439 -1.463 8.583 1.00 . A A . 7 ARG HH12 1 1
9 1452 1 1 7 ARG HH21 H -1.349 1.278 9.118 1.00 . A A . 7 ARG HH21 1 1
9 1453 1 1 7 ARG HH22 H -1.962 -0.193 9.796 1.00 . A A . 7 ARG HH22 1 1
9 1454 1 1 7 ARG N N -2.777 3.985 2.640 1.00 . A A . 7 ARG N 1 1
9 1455 1 1 7 ARG NE N -2.548 1.146 7.004 1.00 . A A . 7 ARG NE 1 1
9 1456 1 1 7 ARG NH1 N -3.390 -0.794 7.840 1.00 . A A . 7 ARG NH1 1 1
9 1457 1 1 7 ARG NH2 N -1.925 0.464 9.044 1.00 . A A . 7 ARG NH2 1 1
9 1458 1 1 7 ARG O O 0.224 4.612 4.425 1.00 . A A . 7 ARG O 1 1
9 1459 1 1 8 CYS C C 1.556 3.112 1.454 1.00 . A A . 8 CYS C 1 1
9 1460 1 1 8 CYS CA C 1.048 2.485 2.764 1.00 . A A . 8 CYS CA 1 1
9 1461 1 1 8 CYS CB C 0.991 0.978 2.658 1.00 . A A . 8 CYS CB 1 1
9 1462 1 1 8 CYS H H -1.075 2.475 2.586 1.00 . A A . 8 CYS H 1 1
9 1463 1 1 8 CYS HA H 1.696 2.778 3.578 1.00 . A A . 8 CYS HA 1 1
9 1464 1 1 8 CYS HB2 H -0.016 0.681 2.903 1.00 . A A . 8 CYS HB2 1 1
9 1465 1 1 8 CYS HB3 H 1.132 0.700 1.626 1.00 . A A . 8 CYS HB3 1 1
9 1466 1 1 8 CYS N N -0.341 2.955 3.030 1.00 . A A . 8 CYS N 1 1
9 1467 1 1 8 CYS O O 2.527 3.842 1.433 1.00 . A A . 8 CYS O 1 1
9 1468 1 1 8 CYS SG S 2.138 -0.001 3.655 1.00 . A A . 8 CYS SG 1 1
9 1469 1 1 9 ALA C C 2.584 2.998 -1.486 1.00 . A A . 9 ALA C 1 1
9 1470 1 1 9 ALA CA C 1.143 3.254 -0.983 1.00 . A A . 9 ALA CA 1 1
9 1471 1 1 9 ALA CB C 0.819 4.767 -1.035 1.00 . A A . 9 ALA CB 1 1
9 1472 1 1 9 ALA H H 0.084 2.177 0.534 1.00 . A A . 9 ALA H 1 1
9 1473 1 1 9 ALA HA H 0.468 2.735 -1.647 1.00 . A A . 9 ALA HA 1 1
9 1474 1 1 9 ALA HB1 H -0.222 4.925 -0.794 1.00 . A A . 9 ALA HB1 1 1
9 1475 1 1 9 ALA HB2 H 1.428 5.311 -0.330 1.00 . A A . 9 ALA HB2 1 1
9 1476 1 1 9 ALA HB3 H 1.004 5.153 -2.027 1.00 . A A . 9 ALA HB3 1 1
9 1477 1 1 9 ALA N N 0.849 2.775 0.403 1.00 . A A . 9 ALA N 1 1
9 1478 1 1 9 ALA O O 3.143 3.818 -2.191 1.00 . A A . 9 ALA O 1 1
9 1479 1 1 10 TRP C C 4.520 0.787 -2.907 1.00 . A A . 10 TRP C 1 1
9 1480 1 1 10 TRP CA C 4.553 1.547 -1.572 1.00 . A A . 10 TRP CA 1 1
9 1481 1 1 10 TRP CB C 5.286 0.689 -0.486 1.00 . A A . 10 TRP CB 1 1
9 1482 1 1 10 TRP CD1 C 3.436 -0.262 0.925 1.00 . A A . 10 TRP CD1 1 1
9 1483 1 1 10 TRP CD2 C 4.398 -1.774 -0.371 1.00 . A A . 10 TRP CD2 1 1
9 1484 1 1 10 TRP CE2 C 3.390 -2.412 0.358 1.00 . A A . 10 TRP CE2 1 1
9 1485 1 1 10 TRP CE3 C 5.164 -2.519 -1.269 1.00 . A A . 10 TRP CE3 1 1
9 1486 1 1 10 TRP CG C 4.400 -0.458 -0.002 1.00 . A A . 10 TRP CG 1 1
9 1487 1 1 10 TRP CH2 C 3.917 -4.508 -0.705 1.00 . A A . 10 TRP CH2 1 1
9 1488 1 1 10 TRP CZ2 C 3.149 -3.773 0.192 1.00 . A A . 10 TRP CZ2 1 1
9 1489 1 1 10 TRP CZ3 C 4.924 -3.881 -1.435 1.00 . A A . 10 TRP CZ3 1 1
9 1490 1 1 10 TRP H H 2.662 1.246 -0.550 1.00 . A A . 10 TRP H 1 1
9 1491 1 1 10 TRP HA H 5.088 2.466 -1.708 1.00 . A A . 10 TRP HA 1 1
9 1492 1 1 10 TRP HB2 H 6.207 0.280 -0.877 1.00 . A A . 10 TRP HB2 1 1
9 1493 1 1 10 TRP HB3 H 5.528 1.316 0.360 1.00 . A A . 10 TRP HB3 1 1
9 1494 1 1 10 TRP HD1 H 3.204 0.677 1.401 1.00 . A A . 10 TRP HD1 1 1
9 1495 1 1 10 TRP HE1 H 2.147 -1.587 1.712 1.00 . A A . 10 TRP HE1 1 1
9 1496 1 1 10 TRP HE3 H 5.948 -2.044 -1.838 1.00 . A A . 10 TRP HE3 1 1
9 1497 1 1 10 TRP HH2 H 3.732 -5.564 -0.835 1.00 . A A . 10 TRP HH2 1 1
9 1498 1 1 10 TRP HZ2 H 2.368 -4.255 0.761 1.00 . A A . 10 TRP HZ2 1 1
9 1499 1 1 10 TRP HZ3 H 5.520 -4.452 -2.131 1.00 . A A . 10 TRP HZ3 1 1
9 1500 1 1 10 TRP N N 3.154 1.872 -1.119 1.00 . A A . 10 TRP N 1 1
9 1501 1 1 10 TRP NE1 N 2.887 -1.440 1.087 1.00 . A A . 10 TRP NE1 1 1
9 1502 1 1 10 TRP O O 5.259 -0.153 -3.129 1.00 . A A . 10 TRP O 1 1
9 1503 1 1 11 ARG C C 3.048 -0.844 -5.053 1.00 . A A . 11 ARG C 1 1
9 1504 1 1 11 ARG CA C 3.444 0.644 -5.124 1.00 . A A . 11 ARG CA 1 1
9 1505 1 1 11 ARG CB C 4.758 0.796 -5.952 1.00 . A A . 11 ARG CB 1 1
9 1506 1 1 11 ARG CD C 4.141 3.157 -6.746 1.00 . A A . 11 ARG CD 1 1
9 1507 1 1 11 ARG CG C 5.205 2.281 -6.039 1.00 . A A . 11 ARG CG 1 1
9 1508 1 1 11 ARG CZ C 4.687 2.775 -9.114 1.00 . A A . 11 ARG CZ 1 1
9 1509 1 1 11 ARG H H 3.090 2.011 -3.500 1.00 . A A . 11 ARG H 1 1
9 1510 1 1 11 ARG HA H 2.639 1.173 -5.612 1.00 . A A . 11 ARG HA 1 1
9 1511 1 1 11 ARG HB2 H 5.550 0.215 -5.505 1.00 . A A . 11 ARG HB2 1 1
9 1512 1 1 11 ARG HB3 H 4.595 0.418 -6.951 1.00 . A A . 11 ARG HB3 1 1
9 1513 1 1 11 ARG HD2 H 3.220 3.173 -6.183 1.00 . A A . 11 ARG HD2 1 1
9 1514 1 1 11 ARG HD3 H 4.498 4.172 -6.846 1.00 . A A . 11 ARG HD3 1 1
9 1515 1 1 11 ARG HE H 3.044 2.082 -8.255 1.00 . A A . 11 ARG HE 1 1
9 1516 1 1 11 ARG HG2 H 5.379 2.668 -5.046 1.00 . A A . 11 ARG HG2 1 1
9 1517 1 1 11 ARG HG3 H 6.135 2.338 -6.585 1.00 . A A . 11 ARG HG3 1 1
9 1518 1 1 11 ARG HH11 H 6.023 3.848 -8.070 1.00 . A A . 11 ARG HH11 1 1
9 1519 1 1 11 ARG HH12 H 6.411 3.583 -9.737 1.00 . A A . 11 ARG HH12 1 1
9 1520 1 1 11 ARG HH21 H 3.515 1.736 -10.358 1.00 . A A . 11 ARG HH21 1 1
9 1521 1 1 11 ARG HH22 H 4.970 2.368 -11.053 1.00 . A A . 11 ARG HH22 1 1
9 1522 1 1 11 ARG N N 3.640 1.244 -3.763 1.00 . A A . 11 ARG N 1 1
9 1523 1 1 11 ARG NE N 3.864 2.597 -8.109 1.00 . A A . 11 ARG NE 1 1
9 1524 1 1 11 ARG NH1 N 5.793 3.455 -8.961 1.00 . A A . 11 ARG NH1 1 1
9 1525 1 1 11 ARG NH2 N 4.365 2.252 -10.265 1.00 . A A . 11 ARG NH2 1 1
9 1526 1 1 11 ARG O O 3.009 -1.514 -6.067 1.00 . A A . 11 ARG O 1 1
9 1527 1 1 12 CYS C C 3.383 -3.751 -4.154 1.00 . A A . 12 CYS C 1 1
9 1528 1 1 12 CYS CA C 2.363 -2.732 -3.611 1.00 . A A . 12 CYS CA 1 1
9 1529 1 1 12 CYS CB C 0.973 -2.952 -4.261 1.00 . A A . 12 CYS CB 1 1
9 1530 1 1 12 CYS H H 2.819 -0.698 -3.089 1.00 . A A . 12 CYS H 1 1
9 1531 1 1 12 CYS HA H 2.280 -2.878 -2.545 1.00 . A A . 12 CYS HA 1 1
9 1532 1 1 12 CYS HB2 H 1.038 -2.754 -5.320 1.00 . A A . 12 CYS HB2 1 1
9 1533 1 1 12 CYS HB3 H 0.712 -3.994 -4.148 1.00 . A A . 12 CYS HB3 1 1
9 1534 1 1 12 CYS N N 2.766 -1.308 -3.855 1.00 . A A . 12 CYS N 1 1
9 1535 1 1 12 CYS O O 4.443 -3.406 -4.637 1.00 . A A . 12 CYS O 1 1
9 1536 1 1 12 CYS SG S -0.422 -1.994 -3.614 1.00 . A A . 12 CYS SG 1 1
9 1537 1 1 13 NH2 HN1 H 2.252 -5.318 -3.701 1.00 . A A . 13 NH2 HN1 1 1
9 1538 1 1 13 NH2 HN2 H 3.741 -5.684 -4.426 1.00 . A A . 13 NH2 HN2 1 1
9 1539 1 1 13 NH2 N N 3.102 -5.023 -4.088 1.00 . A A . 13 NH2 N 1 1
10 1540 1 1 1 GLY C C -2.538 -4.268 2.545 1.00 . A A . 1 GLY C 1 1
10 1541 1 1 1 GLY CA C -2.758 -5.662 1.950 1.00 . A A . 1 GLY CA 1 1
10 1542 1 1 1 GLY H1 H -4.771 -5.175 1.744 1.00 . A A . 1 GLY H1 1 1
10 1543 1 1 1 GLY H2 H -4.388 -6.752 1.248 1.00 . A A . 1 GLY H2 1 1
10 1544 1 1 1 GLY H3 H -4.464 -6.377 2.904 1.00 . A A . 1 GLY H3 1 1
10 1545 1 1 1 GLY HA2 H -2.207 -6.387 2.531 1.00 . A A . 1 GLY HA2 1 1
10 1546 1 1 1 GLY HA3 H -2.403 -5.671 0.929 1.00 . A A . 1 GLY HA3 1 1
10 1547 1 1 1 GLY N N -4.205 -6.019 1.962 1.00 . A A . 1 GLY N 1 1
10 1548 1 1 1 GLY O O -3.477 -3.593 2.922 1.00 . A A . 1 GLY O 1 1
10 1549 1 1 2 CYS C C -1.143 -1.517 2.055 1.00 . A A . 2 CYS C 1 1
10 1550 1 1 2 CYS CA C -0.942 -2.543 3.172 1.00 . A A . 2 CYS CA 1 1
10 1551 1 1 2 CYS CB C 0.521 -2.593 3.667 1.00 . A A . 2 CYS CB 1 1
10 1552 1 1 2 CYS H H -0.577 -4.476 2.293 1.00 . A A . 2 CYS H 1 1
10 1553 1 1 2 CYS HA H -1.598 -2.289 3.986 1.00 . A A . 2 CYS HA 1 1
10 1554 1 1 2 CYS HB2 H 0.641 -3.482 4.270 1.00 . A A . 2 CYS HB2 1 1
10 1555 1 1 2 CYS HB3 H 1.180 -2.688 2.817 1.00 . A A . 2 CYS HB3 1 1
10 1556 1 1 2 CYS N N -1.289 -3.883 2.612 1.00 . A A . 2 CYS N 1 1
10 1557 1 1 2 CYS O O -2.003 -0.669 2.181 1.00 . A A . 2 CYS O 1 1
10 1558 1 1 2 CYS SG S 1.093 -1.192 4.661 1.00 . A A . 2 CYS SG 1 1
10 1559 1 1 3 CYS C C -1.819 -0.812 -0.890 1.00 . A A . 3 CYS C 1 1
10 1560 1 1 3 CYS CA C -0.496 -0.655 -0.142 1.00 . A A . 3 CYS CA 1 1
10 1561 1 1 3 CYS CB C 0.677 -0.858 -1.125 1.00 . A A . 3 CYS CB 1 1
10 1562 1 1 3 CYS H H 0.301 -2.336 0.985 1.00 . A A . 3 CYS H 1 1
10 1563 1 1 3 CYS HA H -0.469 0.350 0.246 1.00 . A A . 3 CYS HA 1 1
10 1564 1 1 3 CYS HB2 H 1.453 -0.176 -0.818 1.00 . A A . 3 CYS HB2 1 1
10 1565 1 1 3 CYS HB3 H 1.079 -1.850 -1.032 1.00 . A A . 3 CYS HB3 1 1
10 1566 1 1 3 CYS N N -0.364 -1.619 1.006 1.00 . A A . 3 CYS N 1 1
10 1567 1 1 3 CYS O O -2.191 0.076 -1.634 1.00 . A A . 3 CYS O 1 1
10 1568 1 1 3 CYS SG S 0.384 -0.500 -2.876 1.00 . A A . 3 CYS SG 1 1
10 1569 1 1 4 SER C C -4.755 -0.978 -0.980 1.00 . A A . 4 SER C 1 1
10 1570 1 1 4 SER CA C -3.812 -2.138 -1.376 1.00 . A A . 4 SER CA 1 1
10 1571 1 1 4 SER CB C -4.400 -3.491 -0.928 1.00 . A A . 4 SER CB 1 1
10 1572 1 1 4 SER H H -2.147 -2.602 -0.073 1.00 . A A . 4 SER H 1 1
10 1573 1 1 4 SER HA H -3.657 -2.123 -2.445 1.00 . A A . 4 SER HA 1 1
10 1574 1 1 4 SER HB2 H -5.352 -3.684 -1.401 1.00 . A A . 4 SER HB2 1 1
10 1575 1 1 4 SER HB3 H -3.716 -4.302 -1.131 1.00 . A A . 4 SER HB3 1 1
10 1576 1 1 4 SER HG H -3.878 -2.833 0.833 1.00 . A A . 4 SER HG 1 1
10 1577 1 1 4 SER N N -2.497 -1.919 -0.682 1.00 . A A . 4 SER N 1 1
10 1578 1 1 4 SER O O -5.736 -0.695 -1.639 1.00 . A A . 4 SER O 1 1
10 1579 1 1 4 SER OG O -4.585 -3.374 0.474 1.00 . A A . 4 SER OG 1 1
10 1580 1 1 5 ASP C C -3.996 1.859 0.891 1.00 . A A . 5 ASP C 1 1
10 1581 1 1 5 ASP CA C -5.107 0.793 0.708 1.00 . A A . 5 ASP CA 1 1
10 1582 1 1 5 ASP CB C -5.706 0.349 2.050 1.00 . A A . 5 ASP CB 1 1
10 1583 1 1 5 ASP CG C -6.521 -0.940 1.847 1.00 . A A . 5 ASP CG 1 1
10 1584 1 1 5 ASP H H -3.579 -0.676 0.576 1.00 . A A . 5 ASP H 1 1
10 1585 1 1 5 ASP HA H -5.864 1.150 0.025 1.00 . A A . 5 ASP HA 1 1
10 1586 1 1 5 ASP HB2 H -4.922 0.160 2.766 1.00 . A A . 5 ASP HB2 1 1
10 1587 1 1 5 ASP HB3 H -6.362 1.114 2.437 1.00 . A A . 5 ASP HB3 1 1
10 1588 1 1 5 ASP N N -4.382 -0.361 0.115 1.00 . A A . 5 ASP N 1 1
10 1589 1 1 5 ASP O O -2.890 1.517 1.258 1.00 . A A . 5 ASP O 1 1
10 1590 1 1 5 ASP OD1 O -7.539 -0.849 1.182 1.00 . A A . 5 ASP OD1 1 1
10 1591 1 1 5 ASP OD2 O -6.072 -1.948 2.369 1.00 . A A . 5 ASP OD2 1 1
10 1592 1 1 6 PRO C C -2.391 4.503 1.712 1.00 . A A . 6 PRO C 1 1
10 1593 1 1 6 PRO CA C -3.215 4.144 0.463 1.00 . A A . 6 PRO CA 1 1
10 1594 1 1 6 PRO CB C -3.946 5.362 -0.107 1.00 . A A . 6 PRO CB 1 1
10 1595 1 1 6 PRO CD C -5.658 3.668 0.481 1.00 . A A . 6 PRO CD 1 1
10 1596 1 1 6 PRO CG C -5.436 5.170 0.236 1.00 . A A . 6 PRO CG 1 1
10 1597 1 1 6 PRO HA H -2.504 3.745 -0.250 1.00 . A A . 6 PRO HA 1 1
10 1598 1 1 6 PRO HB2 H -3.580 6.282 0.325 1.00 . A A . 6 PRO HB2 1 1
10 1599 1 1 6 PRO HB3 H -3.814 5.402 -1.179 1.00 . A A . 6 PRO HB3 1 1
10 1600 1 1 6 PRO HD2 H -6.233 3.477 1.374 1.00 . A A . 6 PRO HD2 1 1
10 1601 1 1 6 PRO HD3 H -6.139 3.215 -0.374 1.00 . A A . 6 PRO HD3 1 1
10 1602 1 1 6 PRO HG2 H -5.688 5.731 1.123 1.00 . A A . 6 PRO HG2 1 1
10 1603 1 1 6 PRO HG3 H -6.054 5.510 -0.582 1.00 . A A . 6 PRO HG3 1 1
10 1604 1 1 6 PRO N N -4.282 3.111 0.636 1.00 . A A . 6 PRO N 1 1
10 1605 1 1 6 PRO O O -1.476 5.296 1.595 1.00 . A A . 6 PRO O 1 1
10 1606 1 1 7 ARG C C -0.432 3.899 3.870 1.00 . A A . 7 ARG C 1 1
10 1607 1 1 7 ARG CA C -1.908 4.278 4.083 1.00 . A A . 7 ARG CA 1 1
10 1608 1 1 7 ARG CB C -2.443 3.511 5.342 1.00 . A A . 7 ARG CB 1 1
10 1609 1 1 7 ARG CD C -3.455 1.297 4.498 1.00 . A A . 7 ARG CD 1 1
10 1610 1 1 7 ARG CG C -2.300 1.953 5.266 1.00 . A A . 7 ARG CG 1 1
10 1611 1 1 7 ARG CZ C -5.661 2.357 4.865 1.00 . A A . 7 ARG CZ 1 1
10 1612 1 1 7 ARG H H -3.449 3.311 2.902 1.00 . A A . 7 ARG H 1 1
10 1613 1 1 7 ARG HA H -1.972 5.344 4.255 1.00 . A A . 7 ARG HA 1 1
10 1614 1 1 7 ARG HB2 H -1.896 3.856 6.207 1.00 . A A . 7 ARG HB2 1 1
10 1615 1 1 7 ARG HB3 H -3.479 3.775 5.491 1.00 . A A . 7 ARG HB3 1 1
10 1616 1 1 7 ARG HD2 H -3.535 1.684 3.501 1.00 . A A . 7 ARG HD2 1 1
10 1617 1 1 7 ARG HD3 H -3.282 0.232 4.439 1.00 . A A . 7 ARG HD3 1 1
10 1618 1 1 7 ARG HE H -4.870 1.024 6.089 1.00 . A A . 7 ARG HE 1 1
10 1619 1 1 7 ARG HG2 H -1.368 1.679 4.797 1.00 . A A . 7 ARG HG2 1 1
10 1620 1 1 7 ARG HG3 H -2.287 1.548 6.267 1.00 . A A . 7 ARG HG3 1 1
10 1621 1 1 7 ARG HH11 H -4.732 2.962 3.191 1.00 . A A . 7 ARG HH11 1 1
10 1622 1 1 7 ARG HH12 H -6.267 3.686 3.500 1.00 . A A . 7 ARG HH12 1 1
10 1623 1 1 7 ARG HH21 H -6.802 1.930 6.451 1.00 . A A . 7 ARG HH21 1 1
10 1624 1 1 7 ARG HH22 H -7.457 3.094 5.349 1.00 . A A . 7 ARG HH22 1 1
10 1625 1 1 7 ARG N N -2.705 3.941 2.855 1.00 . A A . 7 ARG N 1 1
10 1626 1 1 7 ARG NE N -4.728 1.523 5.257 1.00 . A A . 7 ARG NE 1 1
10 1627 1 1 7 ARG NH1 N -5.540 3.054 3.767 1.00 . A A . 7 ARG NH1 1 1
10 1628 1 1 7 ARG NH2 N -6.723 2.469 5.613 1.00 . A A . 7 ARG NH2 1 1
10 1629 1 1 7 ARG O O 0.456 4.479 4.464 1.00 . A A . 7 ARG O 1 1
10 1630 1 1 8 CYS C C 1.582 3.071 1.362 1.00 . A A . 8 CYS C 1 1
10 1631 1 1 8 CYS CA C 1.122 2.419 2.677 1.00 . A A . 8 CYS CA 1 1
10 1632 1 1 8 CYS CB C 1.019 0.914 2.528 1.00 . A A . 8 CYS CB 1 1
10 1633 1 1 8 CYS H H -1.009 2.503 2.577 1.00 . A A . 8 CYS H 1 1
10 1634 1 1 8 CYS HA H 1.817 2.672 3.466 1.00 . A A . 8 CYS HA 1 1
10 1635 1 1 8 CYS HB2 H 0.027 0.631 2.840 1.00 . A A . 8 CYS HB2 1 1
10 1636 1 1 8 CYS HB3 H 1.080 0.669 1.483 1.00 . A A . 8 CYS HB3 1 1
10 1637 1 1 8 CYS N N -0.238 2.926 3.015 1.00 . A A . 8 CYS N 1 1
10 1638 1 1 8 CYS O O 2.551 3.802 1.321 1.00 . A A . 8 CYS O 1 1
10 1639 1 1 8 CYS SG S 2.228 -0.132 3.373 1.00 . A A . 8 CYS SG 1 1
10 1640 1 1 9 ALA C C 2.518 3.068 -1.577 1.00 . A A . 9 ALA C 1 1
10 1641 1 1 9 ALA CA C 1.077 3.262 -1.051 1.00 . A A . 9 ALA CA 1 1
10 1642 1 1 9 ALA CB C 0.691 4.760 -1.075 1.00 . A A . 9 ALA CB 1 1
10 1643 1 1 9 ALA H H 0.074 2.155 0.481 1.00 . A A . 9 ALA H 1 1
10 1644 1 1 9 ALA HA H 0.411 2.721 -1.708 1.00 . A A . 9 ALA HA 1 1
10 1645 1 1 9 ALA HB1 H -0.348 4.873 -0.806 1.00 . A A . 9 ALA HB1 1 1
10 1646 1 1 9 ALA HB2 H 1.297 5.317 -0.377 1.00 . A A . 9 ALA HB2 1 1
10 1647 1 1 9 ALA HB3 H 0.836 5.166 -2.066 1.00 . A A . 9 ALA HB3 1 1
10 1648 1 1 9 ALA N N 0.834 2.756 0.332 1.00 . A A . 9 ALA N 1 1
10 1649 1 1 9 ALA O O 3.021 3.900 -2.308 1.00 . A A . 9 ALA O 1 1
10 1650 1 1 10 TRP C C 4.535 0.922 -2.984 1.00 . A A . 10 TRP C 1 1
10 1651 1 1 10 TRP CA C 4.552 1.714 -1.669 1.00 . A A . 10 TRP CA 1 1
10 1652 1 1 10 TRP CB C 5.346 0.921 -0.580 1.00 . A A . 10 TRP CB 1 1
10 1653 1 1 10 TRP CD1 C 3.513 -0.333 0.615 1.00 . A A . 10 TRP CD1 1 1
10 1654 1 1 10 TRP CD2 C 4.863 -1.647 -0.539 1.00 . A A . 10 TRP CD2 1 1
10 1655 1 1 10 TRP CE2 C 3.897 -2.454 0.069 1.00 . A A . 10 TRP CE2 1 1
10 1656 1 1 10 TRP CE3 C 5.848 -2.235 -1.332 1.00 . A A . 10 TRP CE3 1 1
10 1657 1 1 10 TRP CG C 4.600 -0.355 -0.186 1.00 . A A . 10 TRP CG 1 1
10 1658 1 1 10 TRP CH2 C 4.903 -4.414 -0.908 1.00 . A A . 10 TRP CH2 1 1
10 1659 1 1 10 TRP CZ2 C 3.918 -3.834 -0.116 1.00 . A A . 10 TRP CZ2 1 1
10 1660 1 1 10 TRP CZ3 C 5.868 -3.614 -1.515 1.00 . A A . 10 TRP CZ3 1 1
10 1661 1 1 10 TRP H H 2.695 1.343 -0.609 1.00 . A A . 10 TRP H 1 1
10 1662 1 1 10 TRP HA H 5.033 2.656 -1.835 1.00 . A A . 10 TRP HA 1 1
10 1663 1 1 10 TRP HB2 H 6.327 0.656 -0.945 1.00 . A A . 10 TRP HB2 1 1
10 1664 1 1 10 TRP HB3 H 5.462 1.536 0.301 1.00 . A A . 10 TRP HB3 1 1
10 1665 1 1 10 TRP HD1 H 3.075 0.551 1.045 1.00 . A A . 10 TRP HD1 1 1
10 1666 1 1 10 TRP HE1 H 2.380 -1.863 1.256 1.00 . A A . 10 TRP HE1 1 1
10 1667 1 1 10 TRP HE3 H 6.600 -1.621 -1.805 1.00 . A A . 10 TRP HE3 1 1
10 1668 1 1 10 TRP HH2 H 4.920 -5.484 -1.052 1.00 . A A . 10 TRP HH2 1 1
10 1669 1 1 10 TRP HZ2 H 3.169 -4.452 0.356 1.00 . A A . 10 TRP HZ2 1 1
10 1670 1 1 10 TRP HZ3 H 6.633 -4.066 -2.130 1.00 . A A . 10 TRP HZ3 1 1
10 1671 1 1 10 TRP N N 3.147 1.979 -1.198 1.00 . A A . 10 TRP N 1 1
10 1672 1 1 10 TRP NE1 N 3.154 -1.588 0.723 1.00 . A A . 10 TRP NE1 1 1
10 1673 1 1 10 TRP O O 5.328 0.027 -3.206 1.00 . A A . 10 TRP O 1 1
10 1674 1 1 11 ARG C C 3.162 -0.860 -5.040 1.00 . A A . 11 ARG C 1 1
10 1675 1 1 11 ARG CA C 3.413 0.656 -5.164 1.00 . A A . 11 ARG CA 1 1
10 1676 1 1 11 ARG CB C 4.675 0.914 -6.038 1.00 . A A . 11 ARG CB 1 1
10 1677 1 1 11 ARG CD C 6.167 2.681 -7.024 1.00 . A A . 11 ARG CD 1 1
10 1678 1 1 11 ARG CG C 4.903 2.433 -6.182 1.00 . A A . 11 ARG CG 1 1
10 1679 1 1 11 ARG CZ C 6.908 4.855 -6.149 1.00 . A A . 11 ARG CZ 1 1
10 1680 1 1 11 ARG H H 3.013 2.036 -3.560 1.00 . A A . 11 ARG H 1 1
10 1681 1 1 11 ARG HA H 2.549 1.103 -5.633 1.00 . A A . 11 ARG HA 1 1
10 1682 1 1 11 ARG HB2 H 5.543 0.451 -5.595 1.00 . A A . 11 ARG HB2 1 1
10 1683 1 1 11 ARG HB3 H 4.523 0.485 -7.018 1.00 . A A . 11 ARG HB3 1 1
10 1684 1 1 11 ARG HD2 H 7.033 2.221 -6.571 1.00 . A A . 11 ARG HD2 1 1
10 1685 1 1 11 ARG HD3 H 6.037 2.282 -8.020 1.00 . A A . 11 ARG HD3 1 1
10 1686 1 1 11 ARG HE H 6.138 4.619 -7.959 1.00 . A A . 11 ARG HE 1 1
10 1687 1 1 11 ARG HG2 H 4.051 2.887 -6.668 1.00 . A A . 11 ARG HG2 1 1
10 1688 1 1 11 ARG HG3 H 5.023 2.883 -5.207 1.00 . A A . 11 ARG HG3 1 1
10 1689 1 1 11 ARG HH11 H 7.124 3.291 -4.910 1.00 . A A . 11 ARG HH11 1 1
10 1690 1 1 11 ARG HH12 H 7.650 4.820 -4.290 1.00 . A A . 11 ARG HH12 1 1
10 1691 1 1 11 ARG HH21 H 6.795 6.560 -7.191 1.00 . A A . 11 ARG HH21 1 1
10 1692 1 1 11 ARG HH22 H 7.461 6.696 -5.597 1.00 . A A . 11 ARG HH22 1 1
10 1693 1 1 11 ARG N N 3.603 1.301 -3.823 1.00 . A A . 11 ARG N 1 1
10 1694 1 1 11 ARG NE N 6.388 4.158 -7.131 1.00 . A A . 11 ARG NE 1 1
10 1695 1 1 11 ARG NH1 N 7.254 4.275 -5.029 1.00 . A A . 11 ARG NH1 1 1
10 1696 1 1 11 ARG NH2 N 7.067 6.137 -6.325 1.00 . A A . 11 ARG NH2 1 1
10 1697 1 1 11 ARG O O 3.221 -1.575 -6.023 1.00 . A A . 11 ARG O 1 1
10 1698 1 1 12 CYS C C 3.747 -3.665 -4.029 1.00 . A A . 12 CYS C 1 1
10 1699 1 1 12 CYS CA C 2.620 -2.740 -3.533 1.00 . A A . 12 CYS CA 1 1
10 1700 1 1 12 CYS CB C 1.269 -3.120 -4.190 1.00 . A A . 12 CYS CB 1 1
10 1701 1 1 12 CYS H H 2.859 -0.651 -3.092 1.00 . A A . 12 CYS H 1 1
10 1702 1 1 12 CYS HA H 2.540 -2.854 -2.463 1.00 . A A . 12 CYS HA 1 1
10 1703 1 1 12 CYS HB2 H 1.333 -2.959 -5.255 1.00 . A A . 12 CYS HB2 1 1
10 1704 1 1 12 CYS HB3 H 1.109 -4.178 -4.037 1.00 . A A . 12 CYS HB3 1 1
10 1705 1 1 12 CYS N N 2.890 -1.295 -3.830 1.00 . A A . 12 CYS N 1 1
10 1706 1 1 12 CYS O O 3.587 -4.862 -4.161 1.00 . A A . 12 CYS O 1 1
10 1707 1 1 12 CYS SG S -0.228 -2.282 -3.606 1.00 . A A . 12 CYS SG 1 1
10 1708 1 1 13 NH2 HN1 H 5.058 -2.184 -4.216 1.00 . A A . 13 NH2 HN1 1 1
10 1709 1 1 13 NH2 HN2 H 5.639 -3.724 -4.632 1.00 . A A . 13 NH2 HN2 1 1
10 1710 1 1 13 NH2 N N 4.912 -3.148 -4.317 1.00 . A A . 13 NH2 N 1 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, April 30, 2024 5:03:47 AM GMT (wattos1)