NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
481855 |
1i8e   |
5021 | cing | 4-filtered-FRED | STAR | entry | full | 91 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1i8e
# This FRED archive file contains, for PDB entry <1i8e>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1i8e
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1i8e
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 1321.51
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 $ION_SELECTIVE_LIGAND_A22 A . 1 1
stop_
save_
save_ION_SELECTIVE_LIGAND_A22
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "ION SELECTIVE LIGAND A22"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XCYCSLRGDCYCX
_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 ACE $ACE 1 1
2 CYS . 1 1
3 TYR . 1 1
4 CYS . 1 1
5 SER . 1 1
6 LEU . 1 1
7 ARG . 1 1
8 GLY . 1 1
9 ASP . 1 1
10 CYS . 1 1
11 TYR . 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
ACE 1 1 1 1
CYS 2 2 1 1
TYR 3 3 1 1
CYS 4 4 1 1
SER 5 5 1 1
LEU 6 6 1 1
ARG 7 7 1 1
GLY 8 8 1 1
ASP 9 9 1 1
CYS 10 10 1 1
TYR 11 11 1 1
CYS 12 12 1 1
NH2 13 13 1 1
stop_
save_
save_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ACE
_Chem_comp.Type non-polymer
save_
save_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NH2
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 CYS H . 2 . HN 1 1
1 1 2 1 1 2 CYS QB . 2 . HB* 1 1
2 1 1 1 1 2 CYS H . 2 . HN 1 1
2 1 2 1 1 3 TYR H . 3 . HN 1 1
3 1 1 1 1 2 CYS H . 2 . HN 1 1
3 1 2 1 1 12 CYS HA . 12 . HA 1 1
4 1 1 1 1 2 CYS HA . 2 . HA 1 1
4 1 2 1 1 3 TYR H . 3 . HN 1 1
5 1 1 1 1 2 CYS HA . 2 . HA 1 1
5 1 2 1 1 3 TYR QD . 3 . HD* 1 1
6 1 1 1 1 2 CYS HA . 2 . HA 1 1
6 1 2 1 1 12 CYS QB . 12 . HB* 1 1
7 1 1 1 1 2 CYS QB . 2 . HB* 1 1
7 1 2 1 1 3 TYR H . 3 . HN 1 1
8 1 1 1 1 2 CYS QB . 2 . HB* 1 1
8 1 2 1 1 12 CYS HA . 12 . HA 1 1
9 1 1 1 1 3 TYR H . 3 . HN 1 1
9 1 2 1 1 3 TYR QB . 3 . HB* 1 1
10 1 1 1 1 3 TYR H . 3 . HN 1 1
10 1 2 1 1 3 TYR QD . 3 . HD* 1 1
11 1 1 1 1 3 TYR H . 3 . HN 1 1
11 1 2 1 1 4 CYS H . 4 . HN 1 1
12 1 1 1 1 3 TYR H . 3 . HN 1 1
12 1 2 1 1 12 CYS HA . 12 . HA 1 1
13 1 1 1 1 3 TYR HA . 3 . HA 1 1
13 1 2 1 1 3 TYR QD . 3 . HD* 1 1
14 1 1 1 1 3 TYR HA . 3 . HA 1 1
14 1 2 1 1 3 TYR QE . 3 . HE* 1 1
15 1 1 1 1 3 TYR HA . 3 . HA 1 1
15 1 2 1 1 4 CYS H . 4 . HN 1 1
16 1 1 1 1 3 TYR QB . 3 . HB* 1 1
16 1 2 1 1 4 CYS H . 4 . HN 1 1
17 1 1 1 1 3 TYR QD . 3 . HD* 1 1
17 1 2 1 1 4 CYS HA . 4 . HA 1 1
18 1 1 1 1 3 TYR QE . 3 . HE* 1 1
18 1 2 1 1 5 SER HA . 5 . HA 1 1
19 1 1 1 1 4 CYS H . 4 . HN 1 1
19 1 2 1 1 4 CYS QB . 4 . HB* 1 1
20 1 1 1 1 4 CYS HA . 4 . HA 1 1
20 1 2 1 1 5 SER H . 5 . HN 1 1
21 1 1 1 1 4 CYS HA . 4 . HA 1 1
21 1 2 1 1 5 SER QB . 5 . HB* 1 1
22 1 1 1 1 4 CYS QB . 4 . HB* 1 1
22 1 2 1 1 5 SER HA . 5 . HA 1 1
23 1 1 1 1 5 SER H . 5 . HN 1 1
23 1 2 1 1 5 SER HA . 5 . HA 1 1
24 1 1 1 1 5 SER H . 5 . HN 1 1
24 1 2 1 1 7 ARG H . 7 . HN 1 1
25 1 1 1 1 5 SER H . 5 . HN 1 1
25 1 2 1 1 8 GLY H . 8 . HN 1 1
26 1 1 1 1 5 SER HA . 5 . HA 1 1
26 1 2 1 1 6 LEU H . 6 . HN 1 1
27 1 1 1 1 5 SER HA . 5 . HA 1 1
27 1 2 1 1 6 LEU QB . 6 . HB* 1 1
28 1 1 1 1 5 SER HA . 5 . HA 1 1
28 1 2 1 1 6 LEU QD . 6 . HD** 1 1
29 1 1 1 1 5 SER HA . 5 . HA 1 1
29 1 2 1 1 6 LEU HG . 6 . HG 1 1
30 1 1 1 1 5 SER HA . 5 . HA 1 1
30 1 2 1 1 7 ARG H . 7 . HN 1 1
31 1 1 1 1 5 SER HA . 5 . HA 1 1
31 1 2 1 1 9 ASP H . 9 . HN 1 1
32 1 1 1 1 5 SER QB . 5 . HB* 1 1
32 1 2 1 1 6 LEU H . 6 . HN 1 1
33 1 1 1 1 5 SER QB . 5 . HB* 1 1
33 1 2 1 1 7 ARG H . 7 . HN 1 1
34 1 1 1 1 5 SER QB . 5 . HB* 1 1
34 1 2 1 1 9 ASP H . 9 . HN 1 1
35 1 1 1 1 6 LEU H . 6 . HN 1 1
35 1 2 1 1 6 LEU QB . 6 . HB* 1 1
36 1 1 1 1 6 LEU H . 6 . HN 1 1
36 1 2 1 1 6 LEU HG . 6 . HG 1 1
37 1 1 1 1 6 LEU H . 6 . HN 1 1
37 1 2 1 1 7 ARG H . 7 . HN 1 1
38 1 1 1 1 6 LEU H . 6 . HN 1 1
38 1 2 1 1 7 ARG QB . 7 . HB* 1 1
39 1 1 1 1 6 LEU HA . 6 . HA 1 1
39 1 2 1 1 6 LEU QD . 6 . HD** 1 1
40 1 1 1 1 6 LEU HA . 6 . HA 1 1
40 1 2 1 1 6 LEU HG . 6 . HG 1 1
41 1 1 1 1 6 LEU HA . 6 . HA 1 1
41 1 2 1 1 7 ARG H . 7 . HN 1 1
42 1 1 1 1 6 LEU HA . 6 . HA 1 1
42 1 2 1 1 8 GLY H . 8 . HN 1 1
43 1 1 1 1 6 LEU QB . 6 . HB* 1 1
43 1 2 1 1 7 ARG H . 7 . HN 1 1
44 1 1 1 1 6 LEU QD . 6 . HD* 1 1
44 1 2 1 1 7 ARG H . 7 . HN 1 1
45 1 1 1 1 6 LEU QD . 6 . HD** 1 1
45 1 2 1 1 7 ARG HA . 7 . HA 1 1
46 1 1 1 1 7 ARG H . 7 . HN 1 1
46 1 2 1 1 7 ARG HA . 7 . HA 1 1
47 1 1 1 1 7 ARG H . 7 . HN 1 1
47 1 2 1 1 7 ARG QB . 7 . HB* 1 1
48 1 1 1 1 7 ARG H . 7 . HN 1 1
48 1 2 1 1 7 ARG QG . 7 . HG* 1 1
49 1 1 1 1 7 ARG H . 7 . HN 1 1
49 1 2 1 1 8 GLY H . 8 . HN 1 1
50 1 1 1 1 7 ARG HA . 7 . HA 1 1
50 1 2 1 1 7 ARG QG . 7 . HG* 1 1
51 1 1 1 1 7 ARG HA . 7 . HA 1 1
51 1 2 1 1 8 GLY H . 8 . HN 1 1
52 1 1 1 1 7 ARG HA . 7 . HA 1 1
52 1 2 1 1 9 ASP H . 9 . HN 1 1
53 1 1 1 1 7 ARG QB . 7 . HB* 1 1
53 1 2 1 1 7 ARG QD . 7 . HD* 1 1
54 1 1 1 1 7 ARG QB . 7 . HB* 1 1
54 1 2 1 1 8 GLY H . 8 . HN 1 1
55 1 1 1 1 7 ARG QG . 7 . HG* 1 1
55 1 2 1 1 8 GLY H . 8 . HN 1 1
56 1 1 1 1 8 GLY H . 8 . HN 1 1
56 1 2 1 1 9 ASP H . 9 . HN 1 1
57 1 1 1 1 8 GLY QA . 8 . HA* 1 1
57 1 2 1 1 9 ASP H . 9 . HN 1 1
58 1 1 1 1 9 ASP H . 9 . HN 1 1
58 1 2 1 1 9 ASP HA . 9 . HA 1 1
59 1 1 1 1 9 ASP H . 9 . HN 1 1
59 1 2 1 1 10 CYS H . 10 . HN 1 1
60 1 1 1 1 9 ASP HA . 9 . HA 1 1
60 1 2 1 1 10 CYS H . 10 . HN 1 1
61 1 1 1 1 9 ASP HA . 9 . HA 1 1
61 1 2 1 1 11 TYR H . 11 . HN 1 1
62 1 1 1 1 9 ASP QB . 9 . HB* 1 1
62 1 2 1 1 10 CYS H . 10 . HN 1 1
63 1 1 1 1 9 ASP QB . 9 . HB* 1 1
63 1 2 1 1 11 TYR H . 11 . HN 1 1
64 1 1 1 1 9 ASP QB . 9 . HB* 1 1
64 1 2 1 1 11 TYR QE . 11 . HE* 1 1
65 1 1 1 1 10 CYS H . 10 . HN 1 1
65 1 2 1 1 10 CYS QB . 10 . HB* 1 1
66 1 1 1 1 10 CYS H . 10 . HN 1 1
66 1 2 1 1 11 TYR H . 11 . HN 1 1
67 1 1 1 1 10 CYS HA . 10 . HA 1 1
67 1 2 1 1 11 TYR H . 11 . HN 1 1
68 1 1 1 1 10 CYS HA . 10 . HA 1 1
68 1 2 1 1 11 TYR QD . 11 . HD* 1 1
69 1 1 1 1 10 CYS HA . 10 . HA 1 1
69 1 2 1 1 11 TYR QE . 11 . HE* 1 1
70 1 1 1 1 10 CYS QB . 10 . HB* 1 1
70 1 2 1 1 11 TYR H . 11 . HN 1 1
71 1 1 1 1 11 TYR H . 11 . HN 1 1
71 1 2 1 1 11 TYR HA . 11 . HA 1 1
72 1 1 1 1 11 TYR H . 11 . HN 1 1
72 1 2 1 1 11 TYR QB . 11 . HB* 1 1
73 1 1 1 1 11 TYR H . 11 . HN 1 1
73 1 2 1 1 11 TYR QE . 11 . HE* 1 1
74 1 1 1 1 11 TYR H . 11 . HN 1 1
74 1 2 1 1 12 CYS H . 12 . HN 1 1
75 1 1 1 1 11 TYR HA . 11 . HA 1 1
75 1 2 1 1 11 TYR QE . 11 . HE* 1 1
76 1 1 1 1 11 TYR HA . 11 . HA 1 1
76 1 2 1 1 12 CYS H . 12 . HN 1 1
77 1 1 1 1 11 TYR HA . 11 . HA 1 1
77 1 2 1 1 12 CYS QB . 12 . HB* 1 1
78 1 1 1 1 11 TYR QB . 11 . HB* 1 1
78 1 2 1 1 12 CYS H . 12 . HN 1 1
79 1 1 1 1 11 TYR QD . 11 . HD* 1 1
79 1 2 1 1 12 CYS HA . 12 . HA 1 1
80 1 1 1 1 12 CYS H . 12 . HN 1 1
80 1 2 1 1 12 CYS QB . 12 . HB* 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 . . . . . 2.7 1.8 3.36 1 1
2 1 . . . . . 5.0 1.8 5.0 1 1
3 1 . . . . . 5.0 1.8 5.0 1 1
4 1 . . . . . 2.7 1.8 2.7 1 1
5 1 . . . . . 5.0 1.8 7.13 1 1
6 1 . . . . . 3.3 1.8 4.18 1 1
7 1 . . . . . 3.3 1.8 4.18 1 1
8 1 . . . . . 3.3 1.8 4.18 1 1
9 1 . . . . . 3.3 1.8 3.96 1 1
10 1 . . . . . 5.0 1.8 6.89 1 1
11 1 . . . . . 5.0 1.8 5.0 1 1
12 1 . . . . . 2.7 1.8 2.7 1 1
13 1 . . . . . 3.3 1.8 4.18 1 1
14 1 . . . . . . 1.8 4.41 1 1
15 1 . . . . . 2.7 1.8 2.7 1 1
16 1 . . . . . 3.3 1.8 4.18 1 1
17 1 . . . . . 5.0 1.8 7.13 1 1
18 1 . . . . . 5.0 1.8 7.13 1 1
19 1 . . . . . 3.3 1.8 3.96 1 1
20 1 . . . . . 2.7 1.8 2.7 1 1
21 1 . . . . . 5.0 1.8 5.88 1 1
22 1 . . . . . 5.0 1.8 5.88 1 1
23 1 . . . . . 2.7 1.8 2.7 1 1
24 1 . . . . . 5.0 1.8 5.0 1 1
25 1 . . . . . 5.0 1.8 5.0 1 1
26 1 . . . . . 2.7 1.8 2.7 1 1
27 1 . . . . . 5.0 1.8 5.88 1 1
28 1 . . . . . 5.0 1.8 7.31 1 1
29 1 . . . . . 5.0 1.8 5.0 1 1
30 1 . . . . . 3.3 1.8 3.3 1 1
31 1 . . . . . 5.0 1.8 5.0 1 1
32 1 . . . . . 3.3 1.8 4.18 1 1
33 1 . . . . . 3.3 1.8 4.18 1 1
34 1 . . . . . 5.0 1.8 5.88 1 1
35 1 . . . . . 2.7 1.8 3.36 1 1
36 1 . . . . . 3.3 1.8 3.3 1 1
37 1 . . . . . 3.3 1.8 4.18 1 1
38 1 . . . . . 3.3 1.8 4.18 1 1
39 1 . . . . . 3.3 1.8 4.98 1 1
40 1 . . . . . 3.3 1.8 3.3 1 1
41 1 . . . . . 3.3 1.8 3.3 1 1
42 1 . . . . . 6.0 2.8 6.0 1 1
43 1 . . . . . 5.0 1.8 5.88 1 1
44 1 . . . . . 5.0 1.8 7.31 1 1
45 1 . . . . . 5.0 1.8 7.31 1 1
46 1 . . . . . 2.7 1.8 2.7 1 1
47 1 . . . . . 2.7 1.8 3.32 1 1
48 1 . . . . . 2.7 1.8 3.58 1 1
49 1 . . . . . 2.7 1.8 2.7 1 1
50 1 . . . . . 3.3 1.8 3.92 1 1
51 1 . . . . . 3.3 1.8 3.3 1 1
52 1 . . . . . 5.0 1.8 5.0 1 1
53 1 . . . . . 3.3 1.8 5.06 1 1
54 1 . . . . . 3.3 1.8 4.18 1 1
55 1 . . . . . 3.3 1.8 4.18 1 1
56 1 . . . . . 2.7 1.8 2.7 1 1
57 1 . . . . . 5.0 1.8 5.52 1 1
58 1 . . . . . 2.7 1.8 2.7 1 1
59 1 . . . . . 5.0 1.8 5.0 1 1
60 1 . . . . . 2.7 1.8 2.7 1 1
61 1 . . . . . 5.0 1.8 5.0 1 1
62 1 . . . . . 2.7 1.8 3.58 1 1
63 1 . . . . . 5.0 1.8 5.88 1 1
64 1 . . . . . 3.3 1.8 6.31 1 1
65 1 . . . . . 3.3 1.8 3.92 1 1
66 1 . . . . . 5.0 1.8 5.0 1 1
67 1 . . . . . 2.7 1.8 2.7 1 1
68 1 . . . . . 3.3 1.8 5.43 1 1
69 1 . . . . . 5.0 1.8 7.13 1 1
70 1 . . . . . 2.7 1.8 3.58 1 1
71 1 . . . . . 2.7 1.8 2.7 1 1
72 1 . . . . . 3.3 1.8 3.92 1 1
73 1 . . . . . 3.3 1.8 4.41 1 1
74 1 . . . . . 5.0 1.8 5.0 1 1
75 1 . . . . . 5.0 1.8 5.62 1 1
76 1 . . . . . 2.7 1.8 2.7 1 1
77 1 . . . . . 3.3 1.8 4.18 1 1
78 1 . . . . . 3.3 1.8 4.18 1 1
79 1 . . . . . 5.0 1.8 7.13 1 1
80 1 . . . . . 2.7 1.8 3.32 1 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 1 ACE C 1 1 2 CYS N 1 1 2 CYS CA 1 1 2 CYS C -145.0 -55.0 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1
2 . 1 1 2 CYS C 1 1 3 TYR N 1 1 3 TYR CA 1 1 3 TYR C -145.0 -55.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
3 . 1 1 3 TYR C 1 1 4 CYS N 1 1 4 CYS CA 1 1 4 CYS C -145.0 -55.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1
4 . 1 1 4 CYS C 1 1 5 SER N 1 1 5 SER CA 1 1 5 SER C -145.0 -55.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1
5 . 1 1 5 SER C 1 1 6 LEU N 1 1 6 LEU CA 1 1 6 LEU C -145.0 -55.0 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
6 . 1 1 6 LEU C 1 1 7 ARG N 1 1 7 ARG CA 1 1 7 ARG C -145.0 -55.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1
7 . 1 1 9 ASP C 1 1 10 CYS N 1 1 10 CYS CA 1 1 10 CYS C -145.0 -55.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1
8 . 1 1 10 CYS C 1 1 11 TYR N 1 1 11 TYR CA 1 1 11 TYR C -145.0 -55.0 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1
9 . 1 1 11 TYR C 1 1 12 CYS N 1 1 12 CYS CA 1 1 12 CYS C -145.0 -55.0 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1
10 . 1 1 3 TYR N 1 1 3 TYR CA 1 1 3 TYR CB 1 1 3 TYR CG 30.0 89.99999 . 3 . N . 3 . CA . 3 . CB . 3 . CG 1 1
11 . 1 1 11 TYR N 1 1 11 TYR CA 1 1 11 TYR CB 1 1 11 TYR CG -89.99999 -30.0 . 11 . N . 11 . CA . 11 . CB . 11 . CG 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 ACE C C -10.609 7.818 -0.403 1.00 . A A . 1 ACE C 1 1
1 2 1 1 1 ACE CH3 C -12.127 7.784 -0.213 1.00 . A A . 1 ACE CH3 1 1
1 3 1 1 1 ACE H1 H -12.467 8.746 0.139 1.00 . A A . 1 ACE H1 1 1
1 4 1 1 1 ACE H2 H -12.382 7.025 0.511 1.00 . A A . 1 ACE H2 1 1
1 5 1 1 1 ACE H3 H -12.603 7.557 -1.155 1.00 . A A . 1 ACE H3 1 1
1 6 1 1 1 ACE O O -10.099 7.465 -1.449 1.00 . A A . 1 ACE O 1 1
1 7 1 1 2 CYS C C -7.780 6.998 1.009 1.00 . A A . 2 CYS C 1 1
1 8 1 1 2 CYS CA C -8.398 8.301 0.494 1.00 . A A . 2 CYS CA 1 1
1 9 1 1 2 CYS CB C -7.990 9.479 1.377 1.00 . A A . 2 CYS CB 1 1
1 10 1 1 2 CYS H H -10.327 8.518 1.434 1.00 . A A . 2 CYS H 1 1
1 11 1 1 2 CYS HA H -8.101 8.484 -0.525 1.00 . A A . 2 CYS HA 1 1
1 12 1 1 2 CYS HB2 H -8.400 9.346 2.368 1.00 . A A . 2 CYS HB2 1 1
1 13 1 1 2 CYS HB3 H -6.913 9.530 1.436 1.00 . A A . 2 CYS HB3 1 1
1 14 1 1 2 CYS N N -9.888 8.240 0.603 1.00 . A A . 2 CYS N 1 1
1 15 1 1 2 CYS O O -7.649 6.800 2.203 1.00 . A A . 2 CYS O 1 1
1 16 1 1 2 CYS SG S -8.628 11.014 0.660 1.00 . A A . 2 CYS SG 1 1
1 17 1 1 3 TYR C C -5.730 4.336 -0.409 1.00 . A A . 3 TYR C 1 1
1 18 1 1 3 TYR CA C -6.803 4.816 0.567 1.00 . A A . 3 TYR CA 1 1
1 19 1 1 3 TYR CB C -7.971 3.831 0.605 1.00 . A A . 3 TYR CB 1 1
1 20 1 1 3 TYR CD1 C -6.782 1.887 1.683 1.00 . A A . 3 TYR CD1 1 1
1 21 1 1 3 TYR CD2 C -8.603 2.951 2.881 1.00 . A A . 3 TYR CD2 1 1
1 22 1 1 3 TYR CE1 C -6.606 0.992 2.746 1.00 . A A . 3 TYR CE1 1 1
1 23 1 1 3 TYR CE2 C -8.426 2.057 3.943 1.00 . A A . 3 TYR CE2 1 1
1 24 1 1 3 TYR CG C -7.781 2.866 1.751 1.00 . A A . 3 TYR CG 1 1
1 25 1 1 3 TYR CZ C -7.428 1.077 3.876 1.00 . A A . 3 TYR CZ 1 1
1 26 1 1 3 TYR H H -7.527 6.289 -0.836 1.00 . A A . 3 TYR H 1 1
1 27 1 1 3 TYR HA H -6.385 4.924 1.546 1.00 . A A . 3 TYR HA 1 1
1 28 1 1 3 TYR HB2 H -8.896 4.373 0.741 1.00 . A A . 3 TYR HB2 1 1
1 29 1 1 3 TYR HB3 H -8.009 3.282 -0.323 1.00 . A A . 3 TYR HB3 1 1
1 30 1 1 3 TYR HD1 H -6.148 1.821 0.811 1.00 . A A . 3 TYR HD1 1 1
1 31 1 1 3 TYR HD2 H -9.373 3.706 2.932 1.00 . A A . 3 TYR HD2 1 1
1 32 1 1 3 TYR HE1 H -5.836 0.237 2.694 1.00 . A A . 3 TYR HE1 1 1
1 33 1 1 3 TYR HE2 H -9.061 2.122 4.815 1.00 . A A . 3 TYR HE2 1 1
1 34 1 1 3 TYR HH H -6.652 0.600 5.554 1.00 . A A . 3 TYR HH 1 1
1 35 1 1 3 TYR N N -7.406 6.109 0.121 1.00 . A A . 3 TYR N 1 1
1 36 1 1 3 TYR O O -5.859 4.483 -1.610 1.00 . A A . 3 TYR O 1 1
1 37 1 1 3 TYR OH O -7.254 0.196 4.924 1.00 . A A . 3 TYR OH 1 1
1 38 1 1 4 CYS C C -3.463 1.717 -0.627 1.00 . A A . 4 CYS C 1 1
1 39 1 1 4 CYS CA C -3.591 3.235 -0.781 1.00 . A A . 4 CYS CA 1 1
1 40 1 1 4 CYS CB C -2.305 3.948 -0.324 1.00 . A A . 4 CYS CB 1 1
1 41 1 1 4 CYS H H -4.607 3.633 1.076 1.00 . A A . 4 CYS H 1 1
1 42 1 1 4 CYS HA H -3.813 3.476 -1.798 1.00 . A A . 4 CYS HA 1 1
1 43 1 1 4 CYS HB2 H -2.528 4.567 0.533 1.00 . A A . 4 CYS HB2 1 1
1 44 1 1 4 CYS HB3 H -1.566 3.211 -0.046 1.00 . A A . 4 CYS HB3 1 1
1 45 1 1 4 CYS N N -4.676 3.746 0.105 1.00 . A A . 4 CYS N 1 1
1 46 1 1 4 CYS O O -2.585 1.222 0.056 1.00 . A A . 4 CYS O 1 1
1 47 1 1 4 CYS SG S -1.639 4.993 -1.656 1.00 . A A . 4 CYS SG 1 1
1 48 1 1 5 SER C C -3.206 -1.068 -2.091 1.00 . A A . 5 SER C 1 1
1 49 1 1 5 SER CA C -4.289 -0.509 -1.164 1.00 . A A . 5 SER CA 1 1
1 50 1 1 5 SER CB C -5.670 -0.985 -1.603 1.00 . A A . 5 SER CB 1 1
1 51 1 1 5 SER H H -5.035 1.413 -1.800 1.00 . A A . 5 SER H 1 1
1 52 1 1 5 SER HA H -4.105 -0.810 -0.151 1.00 . A A . 5 SER HA 1 1
1 53 1 1 5 SER HB2 H -5.766 -0.876 -2.669 1.00 . A A . 5 SER HB2 1 1
1 54 1 1 5 SER HB3 H -5.790 -2.026 -1.336 1.00 . A A . 5 SER HB3 1 1
1 55 1 1 5 SER HG H -7.219 -0.787 -0.444 1.00 . A A . 5 SER HG 1 1
1 56 1 1 5 SER N N -4.340 0.981 -1.260 1.00 . A A . 5 SER N 1 1
1 57 1 1 5 SER O O -2.429 -0.330 -2.667 1.00 . A A . 5 SER O 1 1
1 58 1 1 5 SER OG O -6.664 -0.198 -0.960 1.00 . A A . 5 SER OG 1 1
1 59 1 1 6 LEU C C -2.737 -3.522 -4.407 1.00 . A A . 6 LEU C 1 1
1 60 1 1 6 LEU CA C -2.111 -2.986 -3.113 1.00 . A A . 6 LEU CA 1 1
1 61 1 1 6 LEU CB C -1.522 -4.131 -2.290 1.00 . A A . 6 LEU CB 1 1
1 62 1 1 6 LEU CD1 C -0.078 -4.580 -0.301 1.00 . A A . 6 LEU CD1 1 1
1 63 1 1 6 LEU CD2 C 0.893 -3.498 -2.331 1.00 . A A . 6 LEU CD2 1 1
1 64 1 1 6 LEU CG C -0.353 -3.610 -1.452 1.00 . A A . 6 LEU CG 1 1
1 65 1 1 6 LEU H H -3.783 -2.941 -1.751 1.00 . A A . 6 LEU H 1 1
1 66 1 1 6 LEU HA H -1.342 -2.267 -3.342 1.00 . A A . 6 LEU HA 1 1
1 67 1 1 6 LEU HB2 H -2.284 -4.533 -1.637 1.00 . A A . 6 LEU HB2 1 1
1 68 1 1 6 LEU HB3 H -1.170 -4.907 -2.952 1.00 . A A . 6 LEU HB3 1 1
1 69 1 1 6 LEU HD11 H 0.112 -5.566 -0.699 1.00 . A A . 6 LEU HD11 1 1
1 70 1 1 6 LEU HD12 H -0.937 -4.614 0.353 1.00 . A A . 6 LEU HD12 1 1
1 71 1 1 6 LEU HD13 H 0.785 -4.243 0.255 1.00 . A A . 6 LEU HD13 1 1
1 72 1 1 6 LEU HD21 H 0.719 -2.776 -3.114 1.00 . A A . 6 LEU HD21 1 1
1 73 1 1 6 LEU HD22 H 1.113 -4.461 -2.770 1.00 . A A . 6 LEU HD22 1 1
1 74 1 1 6 LEU HD23 H 1.731 -3.179 -1.729 1.00 . A A . 6 LEU HD23 1 1
1 75 1 1 6 LEU HG H -0.603 -2.638 -1.052 1.00 . A A . 6 LEU HG 1 1
1 76 1 1 6 LEU N N -3.147 -2.370 -2.231 1.00 . A A . 6 LEU N 1 1
1 77 1 1 6 LEU O O -2.150 -4.340 -5.091 1.00 . A A . 6 LEU O 1 1
1 78 1 1 7 ARG C C -4.725 -2.372 -6.976 1.00 . A A . 7 ARG C 1 1
1 79 1 1 7 ARG CA C -4.569 -3.545 -6.008 1.00 . A A . 7 ARG CA 1 1
1 80 1 1 7 ARG CB C -5.946 -4.074 -5.596 1.00 . A A . 7 ARG CB 1 1
1 81 1 1 7 ARG CD C -5.627 -4.636 -3.109 1.00 . A A . 7 ARG CD 1 1
1 82 1 1 7 ARG CG C -5.808 -5.195 -4.542 1.00 . A A . 7 ARG CG 1 1
1 83 1 1 7 ARG CZ C -7.707 -3.668 -2.323 1.00 . A A . 7 ARG CZ 1 1
1 84 1 1 7 ARG H H -4.370 -2.403 -4.195 1.00 . A A . 7 ARG H 1 1
1 85 1 1 7 ARG HA H -3.987 -4.333 -6.459 1.00 . A A . 7 ARG HA 1 1
1 86 1 1 7 ARG HB2 H -6.538 -3.267 -5.202 1.00 . A A . 7 ARG HB2 1 1
1 87 1 1 7 ARG HB3 H -6.441 -4.475 -6.469 1.00 . A A . 7 ARG HB3 1 1
1 88 1 1 7 ARG HD2 H -5.860 -5.406 -2.387 1.00 . A A . 7 ARG HD2 1 1
1 89 1 1 7 ARG HD3 H -4.617 -4.292 -2.963 1.00 . A A . 7 ARG HD3 1 1
1 90 1 1 7 ARG HG2 H -6.695 -5.810 -4.567 1.00 . A A . 7 ARG HG2 1 1
1 91 1 1 7 ARG HG3 H -4.952 -5.804 -4.792 1.00 . A A . 7 ARG HG3 1 1
1 92 1 1 7 ARG HH11 H -6.845 -4.509 -0.724 1.00 . A A . 7 ARG HH11 1 1
1 93 1 1 7 ARG HH12 H -8.568 -4.348 -0.649 1.00 . A A . 7 ARG HH12 1 1
1 94 1 1 7 ARG HH21 H -8.831 -2.869 -3.774 1.00 . A A . 7 ARG HH21 1 1
1 95 1 1 7 ARG HH22 H -9.692 -3.419 -2.377 1.00 . A A . 7 ARG HH22 1 1
1 96 1 1 7 ARG N N -3.917 -3.065 -4.754 1.00 . A A . 7 ARG N 1 1
1 97 1 1 7 ARG NE N -6.582 -3.499 -2.963 1.00 . A A . 7 ARG NE 1 1
1 98 1 1 7 ARG NH1 N -7.707 -4.218 -1.140 1.00 . A A . 7 ARG NH1 1 1
1 99 1 1 7 ARG NH2 N -8.830 -3.290 -2.867 1.00 . A A . 7 ARG NH2 1 1
1 100 1 1 7 ARG O O -4.131 -2.349 -8.037 1.00 . A A . 7 ARG O 1 1
1 101 1 1 8 GLY C C -6.186 1.002 -6.704 1.00 . A A . 8 GLY C 1 1
1 102 1 1 8 GLY CA C -5.724 -0.224 -7.506 1.00 . A A . 8 GLY CA 1 1
1 103 1 1 8 GLY H H -5.991 -1.447 -5.754 1.00 . A A . 8 GLY H 1 1
1 104 1 1 8 GLY HA2 H -4.793 0.006 -8.004 1.00 . A A . 8 GLY HA2 1 1
1 105 1 1 8 GLY HA3 H -6.474 -0.464 -8.246 1.00 . A A . 8 GLY HA3 1 1
1 106 1 1 8 GLY N N -5.524 -1.399 -6.612 1.00 . A A . 8 GLY N 1 1
1 107 1 1 8 GLY O O -6.717 1.939 -7.270 1.00 . A A . 8 GLY O 1 1
1 108 1 1 9 ASP C C -5.205 2.995 -4.123 1.00 . A A . 9 ASP C 1 1
1 109 1 1 9 ASP CA C -6.427 2.207 -4.605 1.00 . A A . 9 ASP CA 1 1
1 110 1 1 9 ASP CB C -7.207 1.637 -3.421 1.00 . A A . 9 ASP CB 1 1
1 111 1 1 9 ASP CG C -8.490 0.974 -3.925 1.00 . A A . 9 ASP CG 1 1
1 112 1 1 9 ASP H H -5.557 0.257 -4.947 1.00 . A A . 9 ASP H 1 1
1 113 1 1 9 ASP HA H -7.069 2.839 -5.199 1.00 . A A . 9 ASP HA 1 1
1 114 1 1 9 ASP HB2 H -6.600 0.906 -2.912 1.00 . A A . 9 ASP HB2 1 1
1 115 1 1 9 ASP HB3 H -7.460 2.435 -2.739 1.00 . A A . 9 ASP HB3 1 1
1 116 1 1 9 ASP N N -5.991 1.018 -5.401 1.00 . A A . 9 ASP N 1 1
1 117 1 1 9 ASP O O -4.224 2.424 -3.697 1.00 . A A . 9 ASP O 1 1
1 118 1 1 9 ASP OD1 O -9.237 1.634 -4.629 1.00 . A A . 9 ASP OD1 1 1
1 119 1 1 9 ASP OD2 O -8.704 -0.182 -3.599 1.00 . A A . 9 ASP OD2 1 1
1 120 1 1 10 CYS C C -4.433 6.617 -4.125 1.00 . A A . 10 CYS C 1 1
1 121 1 1 10 CYS CA C -4.120 5.175 -3.736 1.00 . A A . 10 CYS CA 1 1
1 122 1 1 10 CYS CB C -2.848 4.685 -4.466 1.00 . A A . 10 CYS CB 1 1
1 123 1 1 10 CYS H H -6.082 4.736 -4.535 1.00 . A A . 10 CYS H 1 1
1 124 1 1 10 CYS HA H -4.004 5.107 -2.676 1.00 . A A . 10 CYS HA 1 1
1 125 1 1 10 CYS HB2 H -3.133 3.998 -5.249 1.00 . A A . 10 CYS HB2 1 1
1 126 1 1 10 CYS HB3 H -2.337 5.528 -4.906 1.00 . A A . 10 CYS HB3 1 1
1 127 1 1 10 CYS N N -5.265 4.307 -4.189 1.00 . A A . 10 CYS N 1 1
1 128 1 1 10 CYS O O -3.619 7.320 -4.691 1.00 . A A . 10 CYS O 1 1
1 129 1 1 10 CYS SG S -1.718 3.834 -3.316 1.00 . A A . 10 CYS SG 1 1
1 130 1 1 11 TYR C C -7.362 8.742 -3.477 1.00 . A A . 11 TYR C 1 1
1 131 1 1 11 TYR CA C -6.042 8.435 -4.169 1.00 . A A . 11 TYR CA 1 1
1 132 1 1 11 TYR CB C -6.205 8.453 -5.697 1.00 . A A . 11 TYR CB 1 1
1 133 1 1 11 TYR CD1 C -8.567 7.606 -5.975 1.00 . A A . 11 TYR CD1 1 1
1 134 1 1 11 TYR CD2 C -6.730 6.190 -6.681 1.00 . A A . 11 TYR CD2 1 1
1 135 1 1 11 TYR CE1 C -9.479 6.621 -6.372 1.00 . A A . 11 TYR CE1 1 1
1 136 1 1 11 TYR CE2 C -7.643 5.205 -7.079 1.00 . A A . 11 TYR CE2 1 1
1 137 1 1 11 TYR CG C -7.193 7.390 -6.129 1.00 . A A . 11 TYR CG 1 1
1 138 1 1 11 TYR CZ C -9.018 5.421 -6.926 1.00 . A A . 11 TYR CZ 1 1
1 139 1 1 11 TYR H H -6.257 6.447 -3.366 1.00 . A A . 11 TYR H 1 1
1 140 1 1 11 TYR HA H -5.284 9.142 -3.869 1.00 . A A . 11 TYR HA 1 1
1 141 1 1 11 TYR HB2 H -6.564 9.422 -6.006 1.00 . A A . 11 TYR HB2 1 1
1 142 1 1 11 TYR HB3 H -5.248 8.262 -6.161 1.00 . A A . 11 TYR HB3 1 1
1 143 1 1 11 TYR HD1 H -8.924 8.533 -5.549 1.00 . A A . 11 TYR HD1 1 1
1 144 1 1 11 TYR HD2 H -5.670 6.023 -6.800 1.00 . A A . 11 TYR HD2 1 1
1 145 1 1 11 TYR HE1 H -10.540 6.788 -6.254 1.00 . A A . 11 TYR HE1 1 1
1 146 1 1 11 TYR HE2 H -7.287 4.279 -7.506 1.00 . A A . 11 TYR HE2 1 1
1 147 1 1 11 TYR HH H -9.698 3.638 -6.856 1.00 . A A . 11 TYR HH 1 1
1 148 1 1 11 TYR N N -5.625 7.047 -3.825 1.00 . A A . 11 TYR N 1 1
1 149 1 1 11 TYR O O -7.834 7.967 -2.667 1.00 . A A . 11 TYR O 1 1
1 150 1 1 11 TYR OH O -9.918 4.450 -7.317 1.00 . A A . 11 TYR OH 1 1
1 151 1 1 12 CYS C C -10.334 10.460 -4.211 1.00 . A A . 12 CYS C 1 1
1 152 1 1 12 CYS CA C -9.269 10.192 -3.143 1.00 . A A . 12 CYS CA 1 1
1 153 1 1 12 CYS CB C -9.003 11.457 -2.317 1.00 . A A . 12 CYS CB 1 1
1 154 1 1 12 CYS H H -7.575 10.462 -4.451 1.00 . A A . 12 CYS H 1 1
1 155 1 1 12 CYS HA H -9.575 9.382 -2.498 1.00 . A A . 12 CYS HA 1 1
1 156 1 1 12 CYS HB2 H -8.710 12.261 -2.976 1.00 . A A . 12 CYS HB2 1 1
1 157 1 1 12 CYS HB3 H -9.905 11.738 -1.792 1.00 . A A . 12 CYS HB3 1 1
1 158 1 1 12 CYS N N -7.969 9.855 -3.791 1.00 . A A . 12 CYS N 1 1
1 159 1 1 12 CYS O O -10.045 10.471 -5.391 1.00 . A A . 12 CYS O 1 1
1 160 1 1 12 CYS SG S -7.678 11.155 -1.116 1.00 . A A . 12 CYS SG 1 1
1 161 1 1 13 NH2 HN1 H -11.803 10.672 -2.891 1.00 . A A . 13 NH2 HN1 1 1
1 162 1 1 13 NH2 HN2 H -12.256 10.853 -4.516 1.00 . A A . 13 NH2 HN2 1 1
1 163 1 1 13 NH2 N N -11.566 10.680 -3.842 1.00 . A A . 13 NH2 N 1 1
2 164 1 1 1 ACE C C -10.538 4.913 -0.701 1.00 . A A . 1 ACE C 1 1
2 165 1 1 1 ACE CH3 C -11.277 3.710 -0.113 1.00 . A A . 1 ACE CH3 1 1
2 166 1 1 1 ACE H1 H -11.904 4.037 0.704 1.00 . A A . 1 ACE H1 1 1
2 167 1 1 1 ACE H2 H -10.560 2.989 0.251 1.00 . A A . 1 ACE H2 1 1
2 168 1 1 1 ACE H3 H -11.889 3.255 -0.877 1.00 . A A . 1 ACE H3 1 1
2 169 1 1 1 ACE O O -10.623 5.186 -1.883 1.00 . A A . 1 ACE O 1 1
2 170 1 1 2 CYS C C -7.596 6.724 0.038 1.00 . A A . 2 CYS C 1 1
2 171 1 1 2 CYS CA C -9.063 6.823 -0.383 1.00 . A A . 2 CYS CA 1 1
2 172 1 1 2 CYS CB C -9.744 8.030 0.271 1.00 . A A . 2 CYS CB 1 1
2 173 1 1 2 CYS H H -9.764 5.389 1.066 1.00 . A A . 2 CYS H 1 1
2 174 1 1 2 CYS HA H -9.141 6.890 -1.456 1.00 . A A . 2 CYS HA 1 1
2 175 1 1 2 CYS HB2 H -9.700 7.927 1.345 1.00 . A A . 2 CYS HB2 1 1
2 176 1 1 2 CYS HB3 H -9.233 8.932 -0.022 1.00 . A A . 2 CYS HB3 1 1
2 177 1 1 2 CYS N N -9.814 5.633 0.118 1.00 . A A . 2 CYS N 1 1
2 178 1 1 2 CYS O O -7.014 7.665 0.544 1.00 . A A . 2 CYS O 1 1
2 179 1 1 2 CYS SG S -11.477 8.109 -0.259 1.00 . A A . 2 CYS SG 1 1
2 180 1 1 3 TYR C C -4.902 4.439 -0.807 1.00 . A A . 3 TYR C 1 1
2 181 1 1 3 TYR CA C -5.570 5.380 0.195 1.00 . A A . 3 TYR CA 1 1
2 182 1 1 3 TYR CB C -5.603 4.752 1.588 1.00 . A A . 3 TYR CB 1 1
2 183 1 1 3 TYR CD1 C -4.352 6.400 3.027 1.00 . A A . 3 TYR CD1 1 1
2 184 1 1 3 TYR CD2 C -6.769 6.295 3.205 1.00 . A A . 3 TYR CD2 1 1
2 185 1 1 3 TYR CE1 C -4.326 7.411 3.996 1.00 . A A . 3 TYR CE1 1 1
2 186 1 1 3 TYR CE2 C -6.741 7.306 4.173 1.00 . A A . 3 TYR CE2 1 1
2 187 1 1 3 TYR CG C -5.575 5.842 2.633 1.00 . A A . 3 TYR CG 1 1
2 188 1 1 3 TYR CZ C -5.520 7.864 4.569 1.00 . A A . 3 TYR CZ 1 1
2 189 1 1 3 TYR H H -7.503 4.853 -0.592 1.00 . A A . 3 TYR H 1 1
2 190 1 1 3 TYR HA H -5.050 6.321 0.224 1.00 . A A . 3 TYR HA 1 1
2 191 1 1 3 TYR HB2 H -6.507 4.170 1.698 1.00 . A A . 3 TYR HB2 1 1
2 192 1 1 3 TYR HB3 H -4.744 4.110 1.715 1.00 . A A . 3 TYR HB3 1 1
2 193 1 1 3 TYR HD1 H -3.431 6.052 2.586 1.00 . A A . 3 TYR HD1 1 1
2 194 1 1 3 TYR HD2 H -7.711 5.864 2.900 1.00 . A A . 3 TYR HD2 1 1
2 195 1 1 3 TYR HE1 H -3.383 7.842 4.300 1.00 . A A . 3 TYR HE1 1 1
2 196 1 1 3 TYR HE2 H -7.663 7.655 4.615 1.00 . A A . 3 TYR HE2 1 1
2 197 1 1 3 TYR HH H -4.975 8.543 6.268 1.00 . A A . 3 TYR HH 1 1
2 198 1 1 3 TYR N N -7.002 5.583 -0.176 1.00 . A A . 3 TYR N 1 1
2 199 1 1 3 TYR O O -5.541 3.944 -1.717 1.00 . A A . 3 TYR O 1 1
2 200 1 1 3 TYR OH O -5.492 8.860 5.524 1.00 . A A . 3 TYR OH 1 1
2 201 1 1 4 CYS C C -3.041 1.834 -1.112 1.00 . A A . 4 CYS C 1 1
2 202 1 1 4 CYS CA C -2.930 3.273 -1.599 1.00 . A A . 4 CYS CA 1 1
2 203 1 1 4 CYS CB C -1.474 3.754 -1.655 1.00 . A A . 4 CYS CB 1 1
2 204 1 1 4 CYS H H -3.131 4.596 0.092 1.00 . A A . 4 CYS H 1 1
2 205 1 1 4 CYS HA H -3.383 3.356 -2.567 1.00 . A A . 4 CYS HA 1 1
2 206 1 1 4 CYS HB2 H -1.388 4.700 -1.139 1.00 . A A . 4 CYS HB2 1 1
2 207 1 1 4 CYS HB3 H -0.837 3.026 -1.177 1.00 . A A . 4 CYS HB3 1 1
2 208 1 1 4 CYS N N -3.625 4.187 -0.649 1.00 . A A . 4 CYS N 1 1
2 209 1 1 4 CYS O O -2.148 1.299 -0.484 1.00 . A A . 4 CYS O 1 1
2 210 1 1 4 CYS SG S -0.959 3.962 -3.388 1.00 . A A . 4 CYS SG 1 1
2 211 1 1 5 SER C C -3.621 -1.167 -1.863 1.00 . A A . 5 SER C 1 1
2 212 1 1 5 SER CA C -4.380 -0.192 -0.964 1.00 . A A . 5 SER CA 1 1
2 213 1 1 5 SER CB C -5.885 -0.404 -1.088 1.00 . A A . 5 SER CB 1 1
2 214 1 1 5 SER H H -4.853 1.693 -1.898 1.00 . A A . 5 SER H 1 1
2 215 1 1 5 SER HA H -4.079 -0.317 0.056 1.00 . A A . 5 SER HA 1 1
2 216 1 1 5 SER HB2 H -6.271 0.228 -1.869 1.00 . A A . 5 SER HB2 1 1
2 217 1 1 5 SER HB3 H -6.083 -1.439 -1.334 1.00 . A A . 5 SER HB3 1 1
2 218 1 1 5 SER HG H -7.009 0.744 0.009 1.00 . A A . 5 SER HG 1 1
2 219 1 1 5 SER N N -4.154 1.217 -1.399 1.00 . A A . 5 SER N 1 1
2 220 1 1 5 SER O O -2.780 -0.774 -2.650 1.00 . A A . 5 SER O 1 1
2 221 1 1 5 SER OG O -6.512 -0.067 0.142 1.00 . A A . 5 SER OG 1 1
2 222 1 1 6 LEU C C -3.971 -3.779 -3.854 1.00 . A A . 6 LEU C 1 1
2 223 1 1 6 LEU CA C -3.195 -3.456 -2.570 1.00 . A A . 6 LEU CA 1 1
2 224 1 1 6 LEU CB C -3.095 -4.693 -1.676 1.00 . A A . 6 LEU CB 1 1
2 225 1 1 6 LEU CD1 C -2.092 -5.594 0.427 1.00 . A A . 6 LEU CD1 1 1
2 226 1 1 6 LEU CD2 C -0.664 -4.364 -1.213 1.00 . A A . 6 LEU CD2 1 1
2 227 1 1 6 LEU CG C -2.055 -4.446 -0.582 1.00 . A A . 6 LEU CG 1 1
2 228 1 1 6 LEU H H -4.579 -2.726 -1.087 1.00 . A A . 6 LEU H 1 1
2 229 1 1 6 LEU HA H -2.210 -3.105 -2.815 1.00 . A A . 6 LEU HA 1 1
2 230 1 1 6 LEU HB2 H -4.056 -4.888 -1.225 1.00 . A A . 6 LEU HB2 1 1
2 231 1 1 6 LEU HB3 H -2.794 -5.543 -2.270 1.00 . A A . 6 LEU HB3 1 1
2 232 1 1 6 LEU HD11 H -3.044 -5.596 0.937 1.00 . A A . 6 LEU HD11 1 1
2 233 1 1 6 LEU HD12 H -1.298 -5.464 1.148 1.00 . A A . 6 LEU HD12 1 1
2 234 1 1 6 LEU HD13 H -1.958 -6.532 -0.091 1.00 . A A . 6 LEU HD13 1 1
2 235 1 1 6 LEU HD21 H -0.567 -5.126 -1.971 1.00 . A A . 6 LEU HD21 1 1
2 236 1 1 6 LEU HD22 H 0.086 -4.516 -0.451 1.00 . A A . 6 LEU HD22 1 1
2 237 1 1 6 LEU HD23 H -0.529 -3.391 -1.662 1.00 . A A . 6 LEU HD23 1 1
2 238 1 1 6 LEU HG H -2.280 -3.517 -0.077 1.00 . A A . 6 LEU HG 1 1
2 239 1 1 6 LEU N N -3.905 -2.439 -1.738 1.00 . A A . 6 LEU N 1 1
2 240 1 1 6 LEU O O -3.613 -4.689 -4.581 1.00 . A A . 6 LEU O 1 1
2 241 1 1 7 ARG C C -5.305 -2.371 -6.506 1.00 . A A . 7 ARG C 1 1
2 242 1 1 7 ARG CA C -5.791 -3.315 -5.403 1.00 . A A . 7 ARG CA 1 1
2 243 1 1 7 ARG CB C -7.268 -3.022 -5.089 1.00 . A A . 7 ARG CB 1 1
2 244 1 1 7 ARG CD C -8.673 -2.754 -3.020 1.00 . A A . 7 ARG CD 1 1
2 245 1 1 7 ARG CG C -7.706 -3.681 -3.765 1.00 . A A . 7 ARG CG 1 1
2 246 1 1 7 ARG CZ C -8.591 -0.415 -2.396 1.00 . A A . 7 ARG CZ 1 1
2 247 1 1 7 ARG H H -5.283 -2.310 -3.563 1.00 . A A . 7 ARG H 1 1
2 248 1 1 7 ARG HA H -5.672 -4.344 -5.707 1.00 . A A . 7 ARG HA 1 1
2 249 1 1 7 ARG HB2 H -7.408 -1.955 -5.023 1.00 . A A . 7 ARG HB2 1 1
2 250 1 1 7 ARG HB3 H -7.879 -3.407 -5.891 1.00 . A A . 7 ARG HB3 1 1
2 251 1 1 7 ARG HD2 H -9.573 -2.610 -3.602 1.00 . A A . 7 ARG HD2 1 1
2 252 1 1 7 ARG HD3 H -8.916 -3.166 -2.053 1.00 . A A . 7 ARG HD3 1 1
2 253 1 1 7 ARG HG2 H -8.202 -4.615 -3.981 1.00 . A A . 7 ARG HG2 1 1
2 254 1 1 7 ARG HG3 H -6.847 -3.871 -3.142 1.00 . A A . 7 ARG HG3 1 1
2 255 1 1 7 ARG HH11 H -8.463 -0.987 -0.482 1.00 . A A . 7 ARG HH11 1 1
2 256 1 1 7 ARG HH12 H -9.287 0.510 -0.763 1.00 . A A . 7 ARG HH12 1 1
2 257 1 1 7 ARG HH21 H -8.867 0.400 -4.204 1.00 . A A . 7 ARG HH21 1 1
2 258 1 1 7 ARG HH22 H -9.517 1.296 -2.870 1.00 . A A . 7 ARG HH22 1 1
2 259 1 1 7 ARG N N -5.015 -3.045 -4.151 1.00 . A A . 7 ARG N 1 1
2 260 1 1 7 ARG NE N -7.950 -1.457 -2.853 1.00 . A A . 7 ARG NE 1 1
2 261 1 1 7 ARG NH1 N -8.796 -0.287 -1.113 1.00 . A A . 7 ARG NH1 1 1
2 262 1 1 7 ARG NH2 N -9.025 0.498 -3.221 1.00 . A A . 7 ARG NH2 1 1
2 263 1 1 7 ARG O O -5.407 -2.667 -7.681 1.00 . A A . 7 ARG O 1 1
2 264 1 1 8 GLY C C -4.845 1.140 -6.852 1.00 . A A . 8 GLY C 1 1
2 265 1 1 8 GLY CA C -4.274 -0.258 -7.130 1.00 . A A . 8 GLY CA 1 1
2 266 1 1 8 GLY H H -4.703 -1.029 -5.173 1.00 . A A . 8 GLY H 1 1
2 267 1 1 8 GLY HA2 H -3.195 -0.221 -7.083 1.00 . A A . 8 GLY HA2 1 1
2 268 1 1 8 GLY HA3 H -4.578 -0.574 -8.117 1.00 . A A . 8 GLY HA3 1 1
2 269 1 1 8 GLY N N -4.775 -1.235 -6.125 1.00 . A A . 8 GLY N 1 1
2 270 1 1 8 GLY O O -4.967 1.945 -7.757 1.00 . A A . 8 GLY O 1 1
2 271 1 1 9 ASP C C -4.634 3.684 -4.717 1.00 . A A . 9 ASP C 1 1
2 272 1 1 9 ASP CA C -5.735 2.808 -5.317 1.00 . A A . 9 ASP CA 1 1
2 273 1 1 9 ASP CB C -6.853 2.575 -4.301 1.00 . A A . 9 ASP CB 1 1
2 274 1 1 9 ASP CG C -7.938 3.639 -4.479 1.00 . A A . 9 ASP CG 1 1
2 275 1 1 9 ASP H H -5.080 0.795 -4.885 1.00 . A A . 9 ASP H 1 1
2 276 1 1 9 ASP HA H -6.133 3.262 -6.211 1.00 . A A . 9 ASP HA 1 1
2 277 1 1 9 ASP HB2 H -7.281 1.595 -4.455 1.00 . A A . 9 ASP HB2 1 1
2 278 1 1 9 ASP HB3 H -6.451 2.639 -3.301 1.00 . A A . 9 ASP HB3 1 1
2 279 1 1 9 ASP N N -5.188 1.449 -5.616 1.00 . A A . 9 ASP N 1 1
2 280 1 1 9 ASP O O -3.482 3.301 -4.696 1.00 . A A . 9 ASP O 1 1
2 281 1 1 9 ASP OD1 O -8.620 3.597 -5.490 1.00 . A A . 9 ASP OD1 1 1
2 282 1 1 9 ASP OD2 O -8.066 4.478 -3.604 1.00 . A A . 9 ASP OD2 1 1
2 283 1 1 10 CYS C C -4.616 7.091 -3.173 1.00 . A A . 10 CYS C 1 1
2 284 1 1 10 CYS CA C -3.970 5.770 -3.586 1.00 . A A . 10 CYS CA 1 1
2 285 1 1 10 CYS CB C -2.852 6.023 -4.617 1.00 . A A . 10 CYS CB 1 1
2 286 1 1 10 CYS H H -5.926 5.116 -4.246 1.00 . A A . 10 CYS H 1 1
2 287 1 1 10 CYS HA H -3.563 5.307 -2.720 1.00 . A A . 10 CYS HA 1 1
2 288 1 1 10 CYS HB2 H -2.898 5.288 -5.403 1.00 . A A . 10 CYS HB2 1 1
2 289 1 1 10 CYS HB3 H -2.976 7.007 -5.044 1.00 . A A . 10 CYS HB3 1 1
2 290 1 1 10 CYS N N -4.985 4.850 -4.219 1.00 . A A . 10 CYS N 1 1
2 291 1 1 10 CYS O O -4.206 7.713 -2.211 1.00 . A A . 10 CYS O 1 1
2 292 1 1 10 CYS SG S -1.234 5.930 -3.790 1.00 . A A . 10 CYS SG 1 1
2 293 1 1 11 TYR C C -7.796 8.618 -3.394 1.00 . A A . 11 TYR C 1 1
2 294 1 1 11 TYR CA C -6.284 8.811 -3.537 1.00 . A A . 11 TYR CA 1 1
2 295 1 1 11 TYR CB C -5.963 9.766 -4.693 1.00 . A A . 11 TYR CB 1 1
2 296 1 1 11 TYR CD1 C -7.773 9.480 -6.429 1.00 . A A . 11 TYR CD1 1 1
2 297 1 1 11 TYR CD2 C -5.644 8.373 -6.772 1.00 . A A . 11 TYR CD2 1 1
2 298 1 1 11 TYR CE1 C -8.244 8.948 -7.635 1.00 . A A . 11 TYR CE1 1 1
2 299 1 1 11 TYR CE2 C -6.114 7.841 -7.978 1.00 . A A . 11 TYR CE2 1 1
2 300 1 1 11 TYR CG C -6.473 9.193 -5.997 1.00 . A A . 11 TYR CG 1 1
2 301 1 1 11 TYR CZ C -7.414 8.129 -8.410 1.00 . A A . 11 TYR CZ 1 1
2 302 1 1 11 TYR H H -5.916 7.005 -4.656 1.00 . A A . 11 TYR H 1 1
2 303 1 1 11 TYR HA H -5.876 9.200 -2.618 1.00 . A A . 11 TYR HA 1 1
2 304 1 1 11 TYR HB2 H -6.437 10.720 -4.513 1.00 . A A . 11 TYR HB2 1 1
2 305 1 1 11 TYR HB3 H -4.893 9.904 -4.757 1.00 . A A . 11 TYR HB3 1 1
2 306 1 1 11 TYR HD1 H -8.413 10.113 -5.831 1.00 . A A . 11 TYR HD1 1 1
2 307 1 1 11 TYR HD2 H -4.641 8.151 -6.439 1.00 . A A . 11 TYR HD2 1 1
2 308 1 1 11 TYR HE1 H -9.247 9.170 -7.968 1.00 . A A . 11 TYR HE1 1 1
2 309 1 1 11 TYR HE2 H -5.474 7.209 -8.575 1.00 . A A . 11 TYR HE2 1 1
2 310 1 1 11 TYR HH H -7.926 8.319 -10.238 1.00 . A A . 11 TYR HH 1 1
2 311 1 1 11 TYR N N -5.613 7.524 -3.888 1.00 . A A . 11 TYR N 1 1
2 312 1 1 11 TYR O O -8.324 7.550 -3.633 1.00 . A A . 11 TYR O 1 1
2 313 1 1 11 TYR OH O -7.878 7.605 -9.599 1.00 . A A . 11 TYR OH 1 1
2 314 1 1 12 CYS C C -10.676 9.971 -4.126 1.00 . A A . 12 CYS C 1 1
2 315 1 1 12 CYS CA C -9.969 9.560 -2.830 1.00 . A A . 12 CYS CA 1 1
2 316 1 1 12 CYS CB C -10.288 10.544 -1.700 1.00 . A A . 12 CYS CB 1 1
2 317 1 1 12 CYS H H -8.033 10.502 -2.814 1.00 . A A . 12 CYS H 1 1
2 318 1 1 12 CYS HA H -10.250 8.561 -2.547 1.00 . A A . 12 CYS HA 1 1
2 319 1 1 12 CYS HB2 H -9.460 10.584 -1.011 1.00 . A A . 12 CYS HB2 1 1
2 320 1 1 12 CYS HB3 H -10.444 11.527 -2.121 1.00 . A A . 12 CYS HB3 1 1
2 321 1 1 12 CYS N N -8.490 9.656 -3.001 1.00 . A A . 12 CYS N 1 1
2 322 1 1 12 CYS O O -11.277 11.024 -4.202 1.00 . A A . 12 CYS O 1 1
2 323 1 1 12 CYS SG S -11.788 10.031 -0.815 1.00 . A A . 12 CYS SG 1 1
2 324 1 1 13 NH2 HN1 H -10.141 8.326 -5.100 1.00 . A A . 13 NH2 HN1 1 1
2 325 1 1 13 NH2 HN2 H -11.070 9.429 -5.995 1.00 . A A . 13 NH2 HN2 1 1
2 326 1 1 13 NH2 N N -10.625 9.176 -5.159 1.00 . A A . 13 NH2 N 1 1
3 327 1 1 1 ACE C C -8.887 9.304 2.722 1.00 . A A . 1 ACE C 1 1
3 328 1 1 1 ACE CH3 C -9.622 9.602 4.031 1.00 . A A . 1 ACE CH3 1 1
3 329 1 1 1 ACE H1 H -9.605 8.726 4.661 1.00 . A A . 1 ACE H1 1 1
3 330 1 1 1 ACE H2 H -10.645 9.873 3.817 1.00 . A A . 1 ACE H2 1 1
3 331 1 1 1 ACE H3 H -9.133 10.420 4.541 1.00 . A A . 1 ACE H3 1 1
3 332 1 1 1 ACE O O -9.146 9.917 1.703 1.00 . A A . 1 ACE O 1 1
3 333 1 1 2 CYS C C -7.600 6.615 1.034 1.00 . A A . 2 CYS C 1 1
3 334 1 1 2 CYS CA C -7.214 8.019 1.507 1.00 . A A . 2 CYS CA 1 1
3 335 1 1 2 CYS CB C -5.739 8.064 1.924 1.00 . A A . 2 CYS CB 1 1
3 336 1 1 2 CYS H H -7.787 7.891 3.582 1.00 . A A . 2 CYS H 1 1
3 337 1 1 2 CYS HA H -7.408 8.743 0.732 1.00 . A A . 2 CYS HA 1 1
3 338 1 1 2 CYS HB2 H -5.669 8.060 3.001 1.00 . A A . 2 CYS HB2 1 1
3 339 1 1 2 CYS HB3 H -5.227 7.198 1.529 1.00 . A A . 2 CYS HB3 1 1
3 340 1 1 2 CYS N N -7.974 8.367 2.746 1.00 . A A . 2 CYS N 1 1
3 341 1 1 2 CYS O O -8.041 5.791 1.813 1.00 . A A . 2 CYS O 1 1
3 342 1 1 2 CYS SG S -4.963 9.567 1.278 1.00 . A A . 2 CYS SG 1 1
3 343 1 1 3 TYR C C -6.573 4.315 -1.387 1.00 . A A . 3 TYR C 1 1
3 344 1 1 3 TYR CA C -7.798 4.985 -0.759 1.00 . A A . 3 TYR CA 1 1
3 345 1 1 3 TYR CB C -8.888 5.239 -1.812 1.00 . A A . 3 TYR CB 1 1
3 346 1 1 3 TYR CD1 C -10.805 5.268 -0.171 1.00 . A A . 3 TYR CD1 1 1
3 347 1 1 3 TYR CD2 C -10.853 3.671 -1.996 1.00 . A A . 3 TYR CD2 1 1
3 348 1 1 3 TYR CE1 C -12.034 4.779 0.288 1.00 . A A . 3 TYR CE1 1 1
3 349 1 1 3 TYR CE2 C -12.081 3.182 -1.536 1.00 . A A . 3 TYR CE2 1 1
3 350 1 1 3 TYR CG C -10.214 4.713 -1.314 1.00 . A A . 3 TYR CG 1 1
3 351 1 1 3 TYR CZ C -12.672 3.736 -0.394 1.00 . A A . 3 TYR CZ 1 1
3 352 1 1 3 TYR H H -7.081 7.016 -0.850 1.00 . A A . 3 TYR H 1 1
3 353 1 1 3 TYR HA H -8.185 4.372 0.039 1.00 . A A . 3 TYR HA 1 1
3 354 1 1 3 TYR HB2 H -8.971 6.300 -1.996 1.00 . A A . 3 TYR HB2 1 1
3 355 1 1 3 TYR HB3 H -8.628 4.735 -2.731 1.00 . A A . 3 TYR HB3 1 1
3 356 1 1 3 TYR HD1 H -10.313 6.071 0.355 1.00 . A A . 3 TYR HD1 1 1
3 357 1 1 3 TYR HD2 H -10.397 3.243 -2.876 1.00 . A A . 3 TYR HD2 1 1
3 358 1 1 3 TYR HE1 H -12.490 5.207 1.169 1.00 . A A . 3 TYR HE1 1 1
3 359 1 1 3 TYR HE2 H -12.573 2.378 -2.062 1.00 . A A . 3 TYR HE2 1 1
3 360 1 1 3 TYR HH H -13.724 2.413 0.493 1.00 . A A . 3 TYR HH 1 1
3 361 1 1 3 TYR N N -7.438 6.337 -0.238 1.00 . A A . 3 TYR N 1 1
3 362 1 1 3 TYR O O -6.634 3.792 -2.484 1.00 . A A . 3 TYR O 1 1
3 363 1 1 3 TYR OH O -13.883 3.254 0.060 1.00 . A A . 3 TYR OH 1 1
3 364 1 1 4 CYS C C -4.171 2.217 -0.760 1.00 . A A . 4 CYS C 1 1
3 365 1 1 4 CYS CA C -4.238 3.670 -1.234 1.00 . A A . 4 CYS CA 1 1
3 366 1 1 4 CYS CB C -3.060 4.484 -0.685 1.00 . A A . 4 CYS CB 1 1
3 367 1 1 4 CYS H H -5.451 4.736 0.197 1.00 . A A . 4 CYS H 1 1
3 368 1 1 4 CYS HA H -4.248 3.705 -2.304 1.00 . A A . 4 CYS HA 1 1
3 369 1 1 4 CYS HB2 H -3.368 4.993 0.217 1.00 . A A . 4 CYS HB2 1 1
3 370 1 1 4 CYS HB3 H -2.240 3.819 -0.457 1.00 . A A . 4 CYS HB3 1 1
3 371 1 1 4 CYS N N -5.467 4.318 -0.689 1.00 . A A . 4 CYS N 1 1
3 372 1 1 4 CYS O O -3.734 1.929 0.339 1.00 . A A . 4 CYS O 1 1
3 373 1 1 4 CYS SG S -2.520 5.710 -1.914 1.00 . A A . 4 CYS SG 1 1
3 374 1 1 5 SER C C -3.482 -0.884 -1.917 1.00 . A A . 5 SER C 1 1
3 375 1 1 5 SER CA C -4.605 -0.136 -1.197 1.00 . A A . 5 SER CA 1 1
3 376 1 1 5 SER CB C -5.969 -0.663 -1.630 1.00 . A A . 5 SER CB 1 1
3 377 1 1 5 SER H H -4.974 1.568 -2.458 1.00 . A A . 5 SER H 1 1
3 378 1 1 5 SER HA H -4.498 -0.241 -0.134 1.00 . A A . 5 SER HA 1 1
3 379 1 1 5 SER HB2 H -6.022 -0.681 -2.705 1.00 . A A . 5 SER HB2 1 1
3 380 1 1 5 SER HB3 H -6.104 -1.666 -1.248 1.00 . A A . 5 SER HB3 1 1
3 381 1 1 5 SER HG H -7.512 -0.309 -0.500 1.00 . A A . 5 SER HG 1 1
3 382 1 1 5 SER N N -4.618 1.304 -1.584 1.00 . A A . 5 SER N 1 1
3 383 1 1 5 SER O O -2.543 -0.290 -2.411 1.00 . A A . 5 SER O 1 1
3 384 1 1 5 SER OG O -6.985 0.193 -1.126 1.00 . A A . 5 SER OG 1 1
3 385 1 1 6 LEU C C -2.929 -3.437 -4.032 1.00 . A A . 6 LEU C 1 1
3 386 1 1 6 LEU CA C -2.506 -2.998 -2.623 1.00 . A A . 6 LEU CA 1 1
3 387 1 1 6 LEU CB C -2.323 -4.218 -1.719 1.00 . A A . 6 LEU CB 1 1
3 388 1 1 6 LEU CD1 C -2.396 -4.657 0.742 1.00 . A A . 6 LEU CD1 1 1
3 389 1 1 6 LEU CD2 C -0.277 -3.879 -0.324 1.00 . A A . 6 LEU CD2 1 1
3 390 1 1 6 LEU CG C -1.803 -3.766 -0.351 1.00 . A A . 6 LEU CG 1 1
3 391 1 1 6 LEU H H -4.335 -2.633 -1.537 1.00 . A A . 6 LEU H 1 1
3 392 1 1 6 LEU HA H -1.587 -2.439 -2.668 1.00 . A A . 6 LEU HA 1 1
3 393 1 1 6 LEU HB2 H -3.272 -4.719 -1.596 1.00 . A A . 6 LEU HB2 1 1
3 394 1 1 6 LEU HB3 H -1.613 -4.896 -2.167 1.00 . A A . 6 LEU HB3 1 1
3 395 1 1 6 LEU HD11 H -1.858 -4.502 1.665 1.00 . A A . 6 LEU HD11 1 1
3 396 1 1 6 LEU HD12 H -2.314 -5.692 0.446 1.00 . A A . 6 LEU HD12 1 1
3 397 1 1 6 LEU HD13 H -3.437 -4.405 0.884 1.00 . A A . 6 LEU HD13 1 1
3 398 1 1 6 LEU HD21 H 0.133 -3.439 -1.221 1.00 . A A . 6 LEU HD21 1 1
3 399 1 1 6 LEU HD22 H 0.007 -4.921 -0.273 1.00 . A A . 6 LEU HD22 1 1
3 400 1 1 6 LEU HD23 H 0.108 -3.359 0.541 1.00 . A A . 6 LEU HD23 1 1
3 401 1 1 6 LEU HG H -2.093 -2.741 -0.176 1.00 . A A . 6 LEU HG 1 1
3 402 1 1 6 LEU N N -3.572 -2.188 -1.958 1.00 . A A . 6 LEU N 1 1
3 403 1 1 6 LEU O O -2.091 -3.697 -4.876 1.00 . A A . 6 LEU O 1 1
3 404 1 1 7 ARG C C -4.427 -2.843 -6.688 1.00 . A A . 7 ARG C 1 1
3 405 1 1 7 ARG CA C -4.663 -3.960 -5.654 1.00 . A A . 7 ARG CA 1 1
3 406 1 1 7 ARG CB C -6.161 -4.305 -5.504 1.00 . A A . 7 ARG CB 1 1
3 407 1 1 7 ARG CD C -8.146 -3.203 -4.432 1.00 . A A . 7 ARG CD 1 1
3 408 1 1 7 ARG CG C -7.028 -3.036 -5.465 1.00 . A A . 7 ARG CG 1 1
3 409 1 1 7 ARG CZ C -8.211 -2.934 -2.028 1.00 . A A . 7 ARG CZ 1 1
3 410 1 1 7 ARG H H -4.869 -3.319 -3.600 1.00 . A A . 7 ARG H 1 1
3 411 1 1 7 ARG HA H -4.121 -4.845 -5.950 1.00 . A A . 7 ARG HA 1 1
3 412 1 1 7 ARG HB2 H -6.468 -4.916 -6.340 1.00 . A A . 7 ARG HB2 1 1
3 413 1 1 7 ARG HB3 H -6.304 -4.862 -4.590 1.00 . A A . 7 ARG HB3 1 1
3 414 1 1 7 ARG HD2 H -8.968 -2.539 -4.659 1.00 . A A . 7 ARG HD2 1 1
3 415 1 1 7 ARG HD3 H -8.483 -4.228 -4.406 1.00 . A A . 7 ARG HD3 1 1
3 416 1 1 7 ARG HG2 H -6.412 -2.190 -5.195 1.00 . A A . 7 ARG HG2 1 1
3 417 1 1 7 ARG HG3 H -7.462 -2.867 -6.438 1.00 . A A . 7 ARG HG3 1 1
3 418 1 1 7 ARG HH11 H -9.760 -1.874 -2.722 1.00 . A A . 7 ARG HH11 1 1
3 419 1 1 7 ARG HH12 H -9.915 -2.450 -1.096 1.00 . A A . 7 ARG HH12 1 1
3 420 1 1 7 ARG HH21 H -6.822 -4.016 -1.075 1.00 . A A . 7 ARG HH21 1 1
3 421 1 1 7 ARG HH22 H -8.252 -3.664 -0.164 1.00 . A A . 7 ARG HH22 1 1
3 422 1 1 7 ARG N N -4.210 -3.528 -4.293 1.00 . A A . 7 ARG N 1 1
3 423 1 1 7 ARG NE N -7.522 -2.837 -3.132 1.00 . A A . 7 ARG NE 1 1
3 424 1 1 7 ARG NH1 N -9.386 -2.376 -1.942 1.00 . A A . 7 ARG NH1 1 1
3 425 1 1 7 ARG NH2 N -7.723 -3.589 -1.009 1.00 . A A . 7 ARG NH2 1 1
3 426 1 1 7 ARG O O -4.455 -3.084 -7.880 1.00 . A A . 7 ARG O 1 1
3 427 1 1 8 GLY C C -4.734 0.744 -6.816 1.00 . A A . 8 GLY C 1 1
3 428 1 1 8 GLY CA C -3.942 -0.517 -7.201 1.00 . A A . 8 GLY CA 1 1
3 429 1 1 8 GLY H H -4.159 -1.460 -5.278 1.00 . A A . 8 GLY H 1 1
3 430 1 1 8 GLY HA2 H -2.888 -0.284 -7.208 1.00 . A A . 8 GLY HA2 1 1
3 431 1 1 8 GLY HA3 H -4.240 -0.832 -8.191 1.00 . A A . 8 GLY HA3 1 1
3 432 1 1 8 GLY N N -4.188 -1.631 -6.240 1.00 . A A . 8 GLY N 1 1
3 433 1 1 8 GLY O O -4.712 1.721 -7.542 1.00 . A A . 8 GLY O 1 1
3 434 1 1 9 ASP C C -5.233 3.028 -4.747 1.00 . A A . 9 ASP C 1 1
3 435 1 1 9 ASP CA C -6.194 1.979 -5.309 1.00 . A A . 9 ASP CA 1 1
3 436 1 1 9 ASP CB C -7.183 1.524 -4.235 1.00 . A A . 9 ASP CB 1 1
3 437 1 1 9 ASP CG C -8.179 0.533 -4.840 1.00 . A A . 9 ASP CG 1 1
3 438 1 1 9 ASP H H -5.439 -0.037 -5.106 1.00 . A A . 9 ASP H 1 1
3 439 1 1 9 ASP HA H -6.727 2.372 -6.160 1.00 . A A . 9 ASP HA 1 1
3 440 1 1 9 ASP HB2 H -6.644 1.049 -3.428 1.00 . A A . 9 ASP HB2 1 1
3 441 1 1 9 ASP HB3 H -7.718 2.380 -3.853 1.00 . A A . 9 ASP HB3 1 1
3 442 1 1 9 ASP N N -5.427 0.751 -5.693 1.00 . A A . 9 ASP N 1 1
3 443 1 1 9 ASP O O -4.174 2.695 -4.260 1.00 . A A . 9 ASP O 1 1
3 444 1 1 9 ASP OD1 O -7.738 -0.392 -5.501 1.00 . A A . 9 ASP OD1 1 1
3 445 1 1 9 ASP OD2 O -9.367 0.718 -4.635 1.00 . A A . 9 ASP OD2 1 1
3 446 1 1 10 CYS C C -5.308 6.746 -4.731 1.00 . A A . 10 CYS C 1 1
3 447 1 1 10 CYS CA C -4.732 5.402 -4.275 1.00 . A A . 10 CYS CA 1 1
3 448 1 1 10 CYS CB C -3.312 5.213 -4.858 1.00 . A A . 10 CYS CB 1 1
3 449 1 1 10 CYS H H -6.470 4.520 -5.196 1.00 . A A . 10 CYS H 1 1
3 450 1 1 10 CYS HA H -4.713 5.360 -3.206 1.00 . A A . 10 CYS HA 1 1
3 451 1 1 10 CYS HB2 H -3.351 4.488 -5.657 1.00 . A A . 10 CYS HB2 1 1
3 452 1 1 10 CYS HB3 H -2.961 6.155 -5.257 1.00 . A A . 10 CYS HB3 1 1
3 453 1 1 10 CYS N N -5.600 4.292 -4.808 1.00 . A A . 10 CYS N 1 1
3 454 1 1 10 CYS O O -4.582 7.673 -5.038 1.00 . A A . 10 CYS O 1 1
3 455 1 1 10 CYS SG S -2.142 4.628 -3.585 1.00 . A A . 10 CYS SG 1 1
3 456 1 1 11 TYR C C -7.942 8.718 -3.928 1.00 . A A . 11 TYR C 1 1
3 457 1 1 11 TYR CA C -7.253 8.144 -5.153 1.00 . A A . 11 TYR CA 1 1
3 458 1 1 11 TYR CB C -8.260 7.820 -6.281 1.00 . A A . 11 TYR CB 1 1
3 459 1 1 11 TYR CD1 C -8.659 5.324 -6.258 1.00 . A A . 11 TYR CD1 1 1
3 460 1 1 11 TYR CD2 C -10.362 6.778 -5.329 1.00 . A A . 11 TYR CD2 1 1
3 461 1 1 11 TYR CE1 C -9.447 4.207 -5.956 1.00 . A A . 11 TYR CE1 1 1
3 462 1 1 11 TYR CE2 C -11.151 5.661 -5.027 1.00 . A A . 11 TYR CE2 1 1
3 463 1 1 11 TYR CG C -9.114 6.611 -5.943 1.00 . A A . 11 TYR CG 1 1
3 464 1 1 11 TYR CZ C -10.693 4.375 -5.340 1.00 . A A . 11 TYR CZ 1 1
3 465 1 1 11 TYR H H -7.168 6.110 -4.469 1.00 . A A . 11 TYR H 1 1
3 466 1 1 11 TYR HA H -6.504 8.834 -5.511 1.00 . A A . 11 TYR HA 1 1
3 467 1 1 11 TYR HB2 H -8.904 8.673 -6.433 1.00 . A A . 11 TYR HB2 1 1
3 468 1 1 11 TYR HB3 H -7.714 7.624 -7.192 1.00 . A A . 11 TYR HB3 1 1
3 469 1 1 11 TYR HD1 H -7.697 5.193 -6.731 1.00 . A A . 11 TYR HD1 1 1
3 470 1 1 11 TYR HD2 H -10.718 7.769 -5.089 1.00 . A A . 11 TYR HD2 1 1
3 471 1 1 11 TYR HE1 H -9.095 3.216 -6.199 1.00 . A A . 11 TYR HE1 1 1
3 472 1 1 11 TYR HE2 H -12.111 5.790 -4.552 1.00 . A A . 11 TYR HE2 1 1
3 473 1 1 11 TYR HH H -10.892 2.584 -4.711 1.00 . A A . 11 TYR HH 1 1
3 474 1 1 11 TYR N N -6.610 6.861 -4.749 1.00 . A A . 11 TYR N 1 1
3 475 1 1 11 TYR O O -9.146 8.652 -3.777 1.00 . A A . 11 TYR O 1 1
3 476 1 1 11 TYR OH O -11.470 3.275 -5.043 1.00 . A A . 11 TYR OH 1 1
3 477 1 1 12 CYS C C -8.893 10.763 -2.042 1.00 . A A . 12 CYS C 1 1
3 478 1 1 12 CYS CA C -7.727 9.804 -1.760 1.00 . A A . 12 CYS CA 1 1
3 479 1 1 12 CYS CB C -6.572 10.557 -1.090 1.00 . A A . 12 CYS CB 1 1
3 480 1 1 12 CYS H H -6.195 9.260 -3.175 1.00 . A A . 12 CYS H 1 1
3 481 1 1 12 CYS HA H -8.049 8.989 -1.132 1.00 . A A . 12 CYS HA 1 1
3 482 1 1 12 CYS HB2 H -6.216 11.332 -1.754 1.00 . A A . 12 CYS HB2 1 1
3 483 1 1 12 CYS HB3 H -6.923 11.007 -0.172 1.00 . A A . 12 CYS HB3 1 1
3 484 1 1 12 CYS N N -7.163 9.251 -3.026 1.00 . A A . 12 CYS N 1 1
3 485 1 1 12 CYS O O -8.949 11.388 -3.082 1.00 . A A . 12 CYS O 1 1
3 486 1 1 12 CYS SG S -5.215 9.414 -0.719 1.00 . A A . 12 CYS SG 1 1
3 487 1 1 13 NH2 HN1 H -9.790 10.399 -0.309 1.00 . A A . 13 NH2 HN1 1 1
3 488 1 1 13 NH2 HN2 H -10.583 11.510 -1.316 1.00 . A A . 13 NH2 HN2 1 1
3 489 1 1 13 NH2 N N -9.833 10.903 -1.148 1.00 . A A . 13 NH2 N 1 1
4 490 1 1 1 ACE C C -11.290 8.280 0.942 1.00 . A A . 1 ACE C 1 1
4 491 1 1 1 ACE CH3 C -12.544 8.551 1.775 1.00 . A A . 1 ACE CH3 1 1
4 492 1 1 1 ACE H1 H -12.677 7.756 2.494 1.00 . A A . 1 ACE H1 1 1
4 493 1 1 1 ACE H2 H -13.405 8.597 1.125 1.00 . A A . 1 ACE H2 1 1
4 494 1 1 1 ACE H3 H -12.434 9.491 2.295 1.00 . A A . 1 ACE H3 1 1
4 495 1 1 1 ACE O O -11.366 8.052 -0.251 1.00 . A A . 1 ACE O 1 1
4 496 1 1 2 CYS C C -8.560 6.548 0.824 1.00 . A A . 2 CYS C 1 1
4 497 1 1 2 CYS CA C -8.869 8.047 0.812 1.00 . A A . 2 CYS CA 1 1
4 498 1 1 2 CYS CB C -7.778 8.831 1.557 1.00 . A A . 2 CYS CB 1 1
4 499 1 1 2 CYS H H -10.106 8.490 2.524 1.00 . A A . 2 CYS H 1 1
4 500 1 1 2 CYS HA H -8.955 8.406 -0.202 1.00 . A A . 2 CYS HA 1 1
4 501 1 1 2 CYS HB2 H -7.641 8.403 2.538 1.00 . A A . 2 CYS HB2 1 1
4 502 1 1 2 CYS HB3 H -6.851 8.758 1.007 1.00 . A A . 2 CYS HB3 1 1
4 503 1 1 2 CYS N N -10.138 8.303 1.563 1.00 . A A . 2 CYS N 1 1
4 504 1 1 2 CYS O O -8.917 5.846 1.752 1.00 . A A . 2 CYS O 1 1
4 505 1 1 2 CYS SG S -8.234 10.587 1.732 1.00 . A A . 2 CYS SG 1 1
4 506 1 1 3 TYR C C -6.262 4.318 -0.921 1.00 . A A . 3 TYR C 1 1
4 507 1 1 3 TYR CA C -7.601 4.587 -0.245 1.00 . A A . 3 TYR CA 1 1
4 508 1 1 3 TYR CB C -8.742 3.967 -1.052 1.00 . A A . 3 TYR CB 1 1
4 509 1 1 3 TYR CD1 C -10.406 3.297 0.719 1.00 . A A . 3 TYR CD1 1 1
4 510 1 1 3 TYR CD2 C -10.898 5.218 -0.676 1.00 . A A . 3 TYR CD2 1 1
4 511 1 1 3 TYR CE1 C -11.616 3.480 1.399 1.00 . A A . 3 TYR CE1 1 1
4 512 1 1 3 TYR CE2 C -12.108 5.402 0.004 1.00 . A A . 3 TYR CE2 1 1
4 513 1 1 3 TYR CG C -10.047 4.166 -0.318 1.00 . A A . 3 TYR CG 1 1
4 514 1 1 3 TYR CZ C -12.467 4.533 1.042 1.00 . A A . 3 TYR CZ 1 1
4 515 1 1 3 TYR H H -7.644 6.630 -0.944 1.00 . A A . 3 TYR H 1 1
4 516 1 1 3 TYR HA H -7.592 4.178 0.739 1.00 . A A . 3 TYR HA 1 1
4 517 1 1 3 TYR HB2 H -8.798 4.442 -2.021 1.00 . A A . 3 TYR HB2 1 1
4 518 1 1 3 TYR HB3 H -8.561 2.911 -1.180 1.00 . A A . 3 TYR HB3 1 1
4 519 1 1 3 TYR HD1 H -9.749 2.484 0.994 1.00 . A A . 3 TYR HD1 1 1
4 520 1 1 3 TYR HD2 H -10.621 5.889 -1.476 1.00 . A A . 3 TYR HD2 1 1
4 521 1 1 3 TYR HE1 H -11.893 2.809 2.199 1.00 . A A . 3 TYR HE1 1 1
4 522 1 1 3 TYR HE2 H -12.764 6.214 -0.271 1.00 . A A . 3 TYR HE2 1 1
4 523 1 1 3 TYR HH H -13.462 5.086 2.574 1.00 . A A . 3 TYR HH 1 1
4 524 1 1 3 TYR N N -7.913 6.048 -0.202 1.00 . A A . 3 TYR N 1 1
4 525 1 1 3 TYR O O -6.082 4.609 -2.082 1.00 . A A . 3 TYR O 1 1
4 526 1 1 3 TYR OH O -13.660 4.714 1.712 1.00 . A A . 3 TYR OH 1 1
4 527 1 1 4 CYS C C -3.648 1.959 -0.533 1.00 . A A . 4 CYS C 1 1
4 528 1 1 4 CYS CA C -4.002 3.420 -0.802 1.00 . A A . 4 CYS CA 1 1
4 529 1 1 4 CYS CB C -2.987 4.359 -0.128 1.00 . A A . 4 CYS CB 1 1
4 530 1 1 4 CYS H H -5.512 3.500 0.734 1.00 . A A . 4 CYS H 1 1
4 531 1 1 4 CYS HA H -4.038 3.594 -1.853 1.00 . A A . 4 CYS HA 1 1
4 532 1 1 4 CYS HB2 H -3.522 5.128 0.408 1.00 . A A . 4 CYS HB2 1 1
4 533 1 1 4 CYS HB3 H -2.392 3.793 0.575 1.00 . A A . 4 CYS HB3 1 1
4 534 1 1 4 CYS N N -5.329 3.740 -0.199 1.00 . A A . 4 CYS N 1 1
4 535 1 1 4 CYS O O -3.053 1.625 0.474 1.00 . A A . 4 CYS O 1 1
4 536 1 1 4 CYS SG S -1.880 5.151 -1.349 1.00 . A A . 4 CYS SG 1 1
4 537 1 1 5 SER C C -3.001 -0.905 -2.502 1.00 . A A . 5 SER C 1 1
4 538 1 1 5 SER CA C -3.707 -0.356 -1.265 1.00 . A A . 5 SER CA 1 1
4 539 1 1 5 SER CB C -5.059 -1.038 -1.057 1.00 . A A . 5 SER CB 1 1
4 540 1 1 5 SER H H -4.485 1.401 -2.233 1.00 . A A . 5 SER H 1 1
4 541 1 1 5 SER HA H -3.094 -0.498 -0.405 1.00 . A A . 5 SER HA 1 1
4 542 1 1 5 SER HB2 H -5.800 -0.302 -0.795 1.00 . A A . 5 SER HB2 1 1
4 543 1 1 5 SER HB3 H -5.356 -1.534 -1.973 1.00 . A A . 5 SER HB3 1 1
4 544 1 1 5 SER HG H -5.793 -2.438 0.078 1.00 . A A . 5 SER HG 1 1
4 545 1 1 5 SER N N -4.013 1.093 -1.438 1.00 . A A . 5 SER N 1 1
4 546 1 1 5 SER O O -3.262 -0.486 -3.614 1.00 . A A . 5 SER O 1 1
4 547 1 1 5 SER OG O -4.949 -1.987 -0.004 1.00 . A A . 5 SER OG 1 1
4 548 1 1 6 LEU C C -2.255 -3.399 -4.217 1.00 . A A . 6 LEU C 1 1
4 549 1 1 6 LEU CA C -1.364 -2.416 -3.471 1.00 . A A . 6 LEU CA 1 1
4 550 1 1 6 LEU CB C -0.132 -3.114 -2.883 1.00 . A A . 6 LEU CB 1 1
4 551 1 1 6 LEU CD1 C 0.069 -5.536 -2.254 1.00 . A A . 6 LEU CD1 1 1
4 552 1 1 6 LEU CD2 C -0.164 -3.804 -0.469 1.00 . A A . 6 LEU CD2 1 1
4 553 1 1 6 LEU CG C -0.578 -4.197 -1.891 1.00 . A A . 6 LEU CG 1 1
4 554 1 1 6 LEU H H -1.910 -2.151 -1.404 1.00 . A A . 6 LEU H 1 1
4 555 1 1 6 LEU HA H -1.066 -1.635 -4.131 1.00 . A A . 6 LEU HA 1 1
4 556 1 1 6 LEU HB2 H 0.437 -3.564 -3.685 1.00 . A A . 6 LEU HB2 1 1
4 557 1 1 6 LEU HB3 H 0.482 -2.386 -2.374 1.00 . A A . 6 LEU HB3 1 1
4 558 1 1 6 LEU HD11 H 1.097 -5.373 -2.542 1.00 . A A . 6 LEU HD11 1 1
4 559 1 1 6 LEU HD12 H -0.468 -5.985 -3.077 1.00 . A A . 6 LEU HD12 1 1
4 560 1 1 6 LEU HD13 H 0.034 -6.196 -1.400 1.00 . A A . 6 LEU HD13 1 1
4 561 1 1 6 LEU HD21 H -0.341 -2.749 -0.321 1.00 . A A . 6 LEU HD21 1 1
4 562 1 1 6 LEU HD22 H 0.886 -4.016 -0.329 1.00 . A A . 6 LEU HD22 1 1
4 563 1 1 6 LEU HD23 H -0.744 -4.370 0.244 1.00 . A A . 6 LEU HD23 1 1
4 564 1 1 6 LEU HG H -1.652 -4.294 -1.939 1.00 . A A . 6 LEU HG 1 1
4 565 1 1 6 LEU N N -2.101 -1.837 -2.311 1.00 . A A . 6 LEU N 1 1
4 566 1 1 6 LEU O O -2.001 -4.587 -4.267 1.00 . A A . 6 LEU O 1 1
4 567 1 1 7 ARG C C -4.941 -2.867 -6.614 1.00 . A A . 7 ARG C 1 1
4 568 1 1 7 ARG CA C -4.245 -3.743 -5.555 1.00 . A A . 7 ARG CA 1 1
4 569 1 1 7 ARG CB C -5.175 -4.320 -4.455 1.00 . A A . 7 ARG CB 1 1
4 570 1 1 7 ARG CD C -7.590 -3.832 -3.961 1.00 . A A . 7 ARG CD 1 1
4 571 1 1 7 ARG CG C -6.631 -4.541 -4.924 1.00 . A A . 7 ARG CG 1 1
4 572 1 1 7 ARG CZ C -8.145 -1.485 -4.140 1.00 . A A . 7 ARG CZ 1 1
4 573 1 1 7 ARG H H -3.460 -1.928 -4.729 1.00 . A A . 7 ARG H 1 1
4 574 1 1 7 ARG HA H -3.707 -4.545 -6.039 1.00 . A A . 7 ARG HA 1 1
4 575 1 1 7 ARG HB2 H -4.775 -5.272 -4.139 1.00 . A A . 7 ARG HB2 1 1
4 576 1 1 7 ARG HB3 H -5.168 -3.651 -3.608 1.00 . A A . 7 ARG HB3 1 1
4 577 1 1 7 ARG HD2 H -8.613 -3.966 -4.287 1.00 . A A . 7 ARG HD2 1 1
4 578 1 1 7 ARG HD3 H -7.463 -4.210 -2.959 1.00 . A A . 7 ARG HD3 1 1
4 579 1 1 7 ARG HG2 H -6.773 -4.158 -5.919 1.00 . A A . 7 ARG HG2 1 1
4 580 1 1 7 ARG HG3 H -6.847 -5.599 -4.918 1.00 . A A . 7 ARG HG3 1 1
4 581 1 1 7 ARG HH11 H -8.438 -1.294 -2.169 1.00 . A A . 7 ARG HH11 1 1
4 582 1 1 7 ARG HH12 H -9.430 -0.292 -3.174 1.00 . A A . 7 ARG HH12 1 1
4 583 1 1 7 ARG HH21 H -8.085 -1.478 -6.140 1.00 . A A . 7 ARG HH21 1 1
4 584 1 1 7 ARG HH22 H -9.228 -0.395 -5.421 1.00 . A A . 7 ARG HH22 1 1
4 585 1 1 7 ARG N N -3.299 -2.890 -4.795 1.00 . A A . 7 ARG N 1 1
4 586 1 1 7 ARG NE N -7.211 -2.390 -4.014 1.00 . A A . 7 ARG NE 1 1
4 587 1 1 7 ARG NH1 N -8.715 -0.985 -3.078 1.00 . A A . 7 ARG NH1 1 1
4 588 1 1 7 ARG NH2 N -8.515 -1.089 -5.326 1.00 . A A . 7 ARG NH2 1 1
4 589 1 1 7 ARG O O -5.117 -3.285 -7.744 1.00 . A A . 7 ARG O 1 1
4 590 1 1 8 GLY C C -6.427 0.568 -6.659 1.00 . A A . 8 GLY C 1 1
4 591 1 1 8 GLY CA C -5.977 -0.771 -7.272 1.00 . A A . 8 GLY CA 1 1
4 592 1 1 8 GLY H H -5.161 -1.334 -5.359 1.00 . A A . 8 GLY H 1 1
4 593 1 1 8 GLY HA2 H -5.280 -0.572 -8.072 1.00 . A A . 8 GLY HA2 1 1
4 594 1 1 8 GLY HA3 H -6.839 -1.279 -7.677 1.00 . A A . 8 GLY HA3 1 1
4 595 1 1 8 GLY N N -5.319 -1.655 -6.266 1.00 . A A . 8 GLY N 1 1
4 596 1 1 8 GLY O O -7.352 1.181 -7.162 1.00 . A A . 8 GLY O 1 1
4 597 1 1 9 ASP C C -5.068 3.085 -4.352 1.00 . A A . 9 ASP C 1 1
4 598 1 1 9 ASP CA C -6.240 2.360 -5.024 1.00 . A A . 9 ASP CA 1 1
4 599 1 1 9 ASP CB C -7.343 2.020 -4.012 1.00 . A A . 9 ASP CB 1 1
4 600 1 1 9 ASP CG C -6.797 1.103 -2.918 1.00 . A A . 9 ASP CG 1 1
4 601 1 1 9 ASP H H -5.045 0.560 -5.188 1.00 . A A . 9 ASP H 1 1
4 602 1 1 9 ASP HA H -6.651 2.979 -5.806 1.00 . A A . 9 ASP HA 1 1
4 603 1 1 9 ASP HB2 H -7.709 2.933 -3.565 1.00 . A A . 9 ASP HB2 1 1
4 604 1 1 9 ASP HB3 H -8.154 1.523 -4.523 1.00 . A A . 9 ASP HB3 1 1
4 605 1 1 9 ASP N N -5.800 1.048 -5.599 1.00 . A A . 9 ASP N 1 1
4 606 1 1 9 ASP O O -4.185 2.474 -3.784 1.00 . A A . 9 ASP O 1 1
4 607 1 1 9 ASP OD1 O -6.140 0.134 -3.254 1.00 . A A . 9 ASP OD1 1 1
4 608 1 1 9 ASP OD2 O -7.044 1.386 -1.758 1.00 . A A . 9 ASP OD2 1 1
4 609 1 1 10 CYS C C -4.171 6.671 -4.219 1.00 . A A . 10 CYS C 1 1
4 610 1 1 10 CYS CA C -3.980 5.225 -3.787 1.00 . A A . 10 CYS CA 1 1
4 611 1 1 10 CYS CB C -2.625 4.673 -4.285 1.00 . A A . 10 CYS CB 1 1
4 612 1 1 10 CYS H H -5.810 4.861 -4.867 1.00 . A A . 10 CYS H 1 1
4 613 1 1 10 CYS HA H -4.047 5.167 -2.724 1.00 . A A . 10 CYS HA 1 1
4 614 1 1 10 CYS HB2 H -2.802 3.946 -5.064 1.00 . A A . 10 CYS HB2 1 1
4 615 1 1 10 CYS HB3 H -2.031 5.482 -4.683 1.00 . A A . 10 CYS HB3 1 1
4 616 1 1 10 CYS N N -5.069 4.400 -4.414 1.00 . A A . 10 CYS N 1 1
4 617 1 1 10 CYS O O -3.268 7.323 -4.708 1.00 . A A . 10 CYS O 1 1
4 618 1 1 10 CYS SG S -1.718 3.875 -2.920 1.00 . A A . 10 CYS SG 1 1
4 619 1 1 11 TYR C C -7.013 8.954 -3.810 1.00 . A A . 11 TYR C 1 1
4 620 1 1 11 TYR CA C -5.661 8.575 -4.399 1.00 . A A . 11 TYR CA 1 1
4 621 1 1 11 TYR CB C -5.683 8.612 -5.936 1.00 . A A . 11 TYR CB 1 1
4 622 1 1 11 TYR CD1 C -6.421 6.342 -6.752 1.00 . A A . 11 TYR CD1 1 1
4 623 1 1 11 TYR CD2 C -8.037 8.147 -6.719 1.00 . A A . 11 TYR CD2 1 1
4 624 1 1 11 TYR CE1 C -7.397 5.477 -7.261 1.00 . A A . 11 TYR CE1 1 1
4 625 1 1 11 TYR CE2 C -9.014 7.283 -7.227 1.00 . A A . 11 TYR CE2 1 1
4 626 1 1 11 TYR CG C -6.740 7.676 -6.480 1.00 . A A . 11 TYR CG 1 1
4 627 1 1 11 TYR CZ C -8.694 5.948 -7.498 1.00 . A A . 11 TYR CZ 1 1
4 628 1 1 11 TYR H H -6.059 6.608 -3.612 1.00 . A A . 11 TYR H 1 1
4 629 1 1 11 TYR HA H -4.893 9.234 -4.024 1.00 . A A . 11 TYR HA 1 1
4 630 1 1 11 TYR HB2 H -5.896 9.619 -6.264 1.00 . A A . 11 TYR HB2 1 1
4 631 1 1 11 TYR HB3 H -4.715 8.314 -6.312 1.00 . A A . 11 TYR HB3 1 1
4 632 1 1 11 TYR HD1 H -5.421 5.977 -6.568 1.00 . A A . 11 TYR HD1 1 1
4 633 1 1 11 TYR HD2 H -8.284 9.178 -6.510 1.00 . A A . 11 TYR HD2 1 1
4 634 1 1 11 TYR HE1 H -7.150 4.447 -7.471 1.00 . A A . 11 TYR HE1 1 1
4 635 1 1 11 TYR HE2 H -10.014 7.647 -7.410 1.00 . A A . 11 TYR HE2 1 1
4 636 1 1 11 TYR HH H -9.242 4.531 -8.656 1.00 . A A . 11 TYR HH 1 1
4 637 1 1 11 TYR N N -5.357 7.168 -4.026 1.00 . A A . 11 TYR N 1 1
4 638 1 1 11 TYR O O -7.994 8.258 -3.996 1.00 . A A . 11 TYR O 1 1
4 639 1 1 11 TYR OH O -9.657 5.095 -8.000 1.00 . A A . 11 TYR OH 1 1
4 640 1 1 12 CYS C C -9.167 11.298 -3.424 1.00 . A A . 12 CYS C 1 1
4 641 1 1 12 CYS CA C -8.355 10.430 -2.457 1.00 . A A . 12 CYS CA 1 1
4 642 1 1 12 CYS CB C -7.960 11.225 -1.213 1.00 . A A . 12 CYS CB 1 1
4 643 1 1 12 CYS H H -6.260 10.563 -2.925 1.00 . A A . 12 CYS H 1 1
4 644 1 1 12 CYS HA H -8.911 9.546 -2.178 1.00 . A A . 12 CYS HA 1 1
4 645 1 1 12 CYS HB2 H -7.027 10.844 -0.825 1.00 . A A . 12 CYS HB2 1 1
4 646 1 1 12 CYS HB3 H -7.843 12.266 -1.474 1.00 . A A . 12 CYS HB3 1 1
4 647 1 1 12 CYS N N -7.068 10.030 -3.079 1.00 . A A . 12 CYS N 1 1
4 648 1 1 12 CYS O O -10.347 11.082 -3.615 1.00 . A A . 12 CYS O 1 1
4 649 1 1 12 CYS SG S -9.248 11.061 0.046 1.00 . A A . 12 CYS SG 1 1
4 650 1 1 13 NH2 HN1 H -7.626 12.458 -3.893 1.00 . A A . 13 NH2 HN1 1 1
4 651 1 1 13 NH2 HN2 H -9.086 12.844 -4.666 1.00 . A A . 13 NH2 HN2 1 1
4 652 1 1 13 NH2 N N -8.577 12.282 -4.046 1.00 . A A . 13 NH2 N 1 1
5 653 1 1 1 ACE C C -10.031 5.723 -0.927 1.00 . A A . 1 ACE C 1 1
5 654 1 1 1 ACE CH3 C -11.178 4.711 -0.884 1.00 . A A . 1 ACE CH3 1 1
5 655 1 1 1 ACE H1 H -11.695 4.793 0.061 1.00 . A A . 1 ACE H1 1 1
5 656 1 1 1 ACE H2 H -10.780 3.712 -0.988 1.00 . A A . 1 ACE H2 1 1
5 657 1 1 1 ACE H3 H -11.867 4.911 -1.691 1.00 . A A . 1 ACE H3 1 1
5 658 1 1 1 ACE O O -9.288 5.789 -1.887 1.00 . A A . 1 ACE O 1 1
5 659 1 1 2 CYS C C -7.528 6.918 0.757 1.00 . A A . 2 CYS C 1 1
5 660 1 1 2 CYS CA C -8.788 7.524 0.137 1.00 . A A . 2 CYS CA 1 1
5 661 1 1 2 CYS CB C -9.324 8.659 1.010 1.00 . A A . 2 CYS CB 1 1
5 662 1 1 2 CYS H H -10.499 6.434 0.869 1.00 . A A . 2 CYS H 1 1
5 663 1 1 2 CYS HA H -8.583 7.884 -0.855 1.00 . A A . 2 CYS HA 1 1
5 664 1 1 2 CYS HB2 H -9.861 8.246 1.850 1.00 . A A . 2 CYS HB2 1 1
5 665 1 1 2 CYS HB3 H -8.499 9.257 1.369 1.00 . A A . 2 CYS HB3 1 1
5 666 1 1 2 CYS N N -9.885 6.510 0.109 1.00 . A A . 2 CYS N 1 1
5 667 1 1 2 CYS O O -6.940 7.480 1.664 1.00 . A A . 2 CYS O 1 1
5 668 1 1 2 CYS SG S -10.438 9.696 0.033 1.00 . A A . 2 CYS SG 1 1
5 669 1 1 3 TYR C C -5.123 4.364 -0.237 1.00 . A A . 3 TYR C 1 1
5 670 1 1 3 TYR CA C -5.890 5.125 0.839 1.00 . A A . 3 TYR CA 1 1
5 671 1 1 3 TYR CB C -6.405 4.168 1.913 1.00 . A A . 3 TYR CB 1 1
5 672 1 1 3 TYR CD1 C -4.571 4.629 3.581 1.00 . A A . 3 TYR CD1 1 1
5 673 1 1 3 TYR CD2 C -4.862 2.365 2.763 1.00 . A A . 3 TYR CD2 1 1
5 674 1 1 3 TYR CE1 C -3.502 4.204 4.378 1.00 . A A . 3 TYR CE1 1 1
5 675 1 1 3 TYR CE2 C -3.793 1.939 3.560 1.00 . A A . 3 TYR CE2 1 1
5 676 1 1 3 TYR CG C -5.252 3.709 2.774 1.00 . A A . 3 TYR CG 1 1
5 677 1 1 3 TYR CZ C -3.113 2.859 4.368 1.00 . A A . 3 TYR CZ 1 1
5 678 1 1 3 TYR H H -7.604 5.347 -0.454 1.00 . A A . 3 TYR H 1 1
5 679 1 1 3 TYR HA H -5.251 5.863 1.284 1.00 . A A . 3 TYR HA 1 1
5 680 1 1 3 TYR HB2 H -7.133 4.675 2.529 1.00 . A A . 3 TYR HB2 1 1
5 681 1 1 3 TYR HB3 H -6.864 3.312 1.442 1.00 . A A . 3 TYR HB3 1 1
5 682 1 1 3 TYR HD1 H -4.872 5.666 3.589 1.00 . A A . 3 TYR HD1 1 1
5 683 1 1 3 TYR HD2 H -5.386 1.655 2.140 1.00 . A A . 3 TYR HD2 1 1
5 684 1 1 3 TYR HE1 H -2.977 4.913 5.001 1.00 . A A . 3 TYR HE1 1 1
5 685 1 1 3 TYR HE2 H -3.492 0.902 3.553 1.00 . A A . 3 TYR HE2 1 1
5 686 1 1 3 TYR HH H -2.420 2.046 5.951 1.00 . A A . 3 TYR HH 1 1
5 687 1 1 3 TYR N N -7.113 5.775 0.277 1.00 . A A . 3 TYR N 1 1
5 688 1 1 3 TYR O O -5.644 4.063 -1.295 1.00 . A A . 3 TYR O 1 1
5 689 1 1 3 TYR OH O -2.058 2.440 5.154 1.00 . A A . 3 TYR OH 1 1
5 690 1 1 4 CYS C C -3.233 1.795 -0.733 1.00 . A A . 4 CYS C 1 1
5 691 1 1 4 CYS CA C -3.063 3.294 -0.953 1.00 . A A . 4 CYS CA 1 1
5 692 1 1 4 CYS CB C -1.620 3.738 -0.706 1.00 . A A . 4 CYS CB 1 1
5 693 1 1 4 CYS H H -3.494 4.299 0.900 1.00 . A A . 4 CYS H 1 1
5 694 1 1 4 CYS HA H -3.361 3.550 -1.948 1.00 . A A . 4 CYS HA 1 1
5 695 1 1 4 CYS HB2 H -1.516 4.076 0.315 1.00 . A A . 4 CYS HB2 1 1
5 696 1 1 4 CYS HB3 H -0.953 2.908 -0.881 1.00 . A A . 4 CYS HB3 1 1
5 697 1 1 4 CYS N N -3.883 4.045 0.037 1.00 . A A . 4 CYS N 1 1
5 698 1 1 4 CYS O O -2.441 1.154 -0.068 1.00 . A A . 4 CYS O 1 1
5 699 1 1 4 CYS SG S -1.208 5.095 -1.838 1.00 . A A . 4 CYS SG 1 1
5 700 1 1 5 SER C C -3.616 -1.039 -2.028 1.00 . A A . 5 SER C 1 1
5 701 1 1 5 SER CA C -4.540 -0.219 -1.124 1.00 . A A . 5 SER CA 1 1
5 702 1 1 5 SER CB C -5.996 -0.411 -1.534 1.00 . A A . 5 SER CB 1 1
5 703 1 1 5 SER H H -4.899 1.797 -1.806 1.00 . A A . 5 SER H 1 1
5 704 1 1 5 SER HA H -4.410 -0.508 -0.100 1.00 . A A . 5 SER HA 1 1
5 705 1 1 5 SER HB2 H -6.112 -0.180 -2.581 1.00 . A A . 5 SER HB2 1 1
5 706 1 1 5 SER HB3 H -6.285 -1.439 -1.362 1.00 . A A . 5 SER HB3 1 1
5 707 1 1 5 SER HG H -6.655 0.283 0.160 1.00 . A A . 5 SER HG 1 1
5 708 1 1 5 SER N N -4.277 1.242 -1.288 1.00 . A A . 5 SER N 1 1
5 709 1 1 5 SER O O -2.720 -0.511 -2.657 1.00 . A A . 5 SER O 1 1
5 710 1 1 5 SER OG O -6.817 0.462 -0.769 1.00 . A A . 5 SER OG 1 1
5 711 1 1 6 LEU C C -3.620 -3.518 -4.274 1.00 . A A . 6 LEU C 1 1
5 712 1 1 6 LEU CA C -2.956 -3.201 -2.929 1.00 . A A . 6 LEU CA 1 1
5 713 1 1 6 LEU CB C -2.762 -4.478 -2.113 1.00 . A A . 6 LEU CB 1 1
5 714 1 1 6 LEU CD1 C -1.771 -5.251 0.048 1.00 . A A . 6 LEU CD1 1 1
5 715 1 1 6 LEU CD2 C -0.281 -4.562 -1.835 1.00 . A A . 6 LEU CD2 1 1
5 716 1 1 6 LEU CG C -1.609 -4.283 -1.127 1.00 . A A . 6 LEU CG 1 1
5 717 1 1 6 LEU H H -4.549 -2.730 -1.555 1.00 . A A . 6 LEU H 1 1
5 718 1 1 6 LEU HA H -2.007 -2.724 -3.090 1.00 . A A . 6 LEU HA 1 1
5 719 1 1 6 LEU HB2 H -3.669 -4.699 -1.568 1.00 . A A . 6 LEU HB2 1 1
5 720 1 1 6 LEU HB3 H -2.531 -5.298 -2.776 1.00 . A A . 6 LEU HB3 1 1
5 721 1 1 6 LEU HD11 H -2.681 -5.018 0.582 1.00 . A A . 6 LEU HD11 1 1
5 722 1 1 6 LEU HD12 H -0.927 -5.154 0.714 1.00 . A A . 6 LEU HD12 1 1
5 723 1 1 6 LEU HD13 H -1.821 -6.263 -0.325 1.00 . A A . 6 LEU HD13 1 1
5 724 1 1 6 LEU HD21 H -0.139 -3.844 -2.628 1.00 . A A . 6 LEU HD21 1 1
5 725 1 1 6 LEU HD22 H -0.298 -5.559 -2.250 1.00 . A A . 6 LEU HD22 1 1
5 726 1 1 6 LEU HD23 H 0.529 -4.481 -1.125 1.00 . A A . 6 LEU HD23 1 1
5 727 1 1 6 LEU HG H -1.617 -3.267 -0.759 1.00 . A A . 6 LEU HG 1 1
5 728 1 1 6 LEU N N -3.825 -2.330 -2.082 1.00 . A A . 6 LEU N 1 1
5 729 1 1 6 LEU O O -2.977 -4.018 -5.178 1.00 . A A . 6 LEU O 1 1
5 730 1 1 7 ARG C C -5.088 -2.505 -6.755 1.00 . A A . 7 ARG C 1 1
5 731 1 1 7 ARG CA C -5.574 -3.517 -5.722 1.00 . A A . 7 ARG CA 1 1
5 732 1 1 7 ARG CB C -7.083 -3.326 -5.486 1.00 . A A . 7 ARG CB 1 1
5 733 1 1 7 ARG CD C -8.605 -3.222 -3.483 1.00 . A A . 7 ARG CD 1 1
5 734 1 1 7 ARG CG C -7.556 -4.068 -4.221 1.00 . A A . 7 ARG CG 1 1
5 735 1 1 7 ARG CZ C -8.676 -0.919 -2.734 1.00 . A A . 7 ARG CZ 1 1
5 736 1 1 7 ARG H H -5.388 -2.822 -3.687 1.00 . A A . 7 ARG H 1 1
5 737 1 1 7 ARG HA H -5.367 -4.524 -6.047 1.00 . A A . 7 ARG HA 1 1
5 738 1 1 7 ARG HB2 H -7.295 -2.275 -5.386 1.00 . A A . 7 ARG HB2 1 1
5 739 1 1 7 ARG HB3 H -7.621 -3.712 -6.340 1.00 . A A . 7 ARG HB3 1 1
5 740 1 1 7 ARG HD2 H -9.483 -3.097 -4.103 1.00 . A A . 7 ARG HD2 1 1
5 741 1 1 7 ARG HD3 H -8.872 -3.692 -2.549 1.00 . A A . 7 ARG HD3 1 1
5 742 1 1 7 ARG HG2 H -7.998 -5.011 -4.507 1.00 . A A . 7 ARG HG2 1 1
5 743 1 1 7 ARG HG3 H -6.723 -4.253 -3.563 1.00 . A A . 7 ARG HG3 1 1
5 744 1 1 7 ARG HH11 H -8.584 -1.590 -0.849 1.00 . A A . 7 ARG HH11 1 1
5 745 1 1 7 ARG HH12 H -9.479 -0.125 -1.080 1.00 . A A . 7 ARG HH12 1 1
5 746 1 1 7 ARG HH21 H -8.937 -0.022 -4.504 1.00 . A A . 7 ARG HH21 1 1
5 747 1 1 7 ARG HH22 H -9.679 0.762 -3.150 1.00 . A A . 7 ARG HH22 1 1
5 748 1 1 7 ARG N N -4.890 -3.230 -4.422 1.00 . A A . 7 ARG N 1 1
5 749 1 1 7 ARG NE N -7.963 -1.898 -3.221 1.00 . A A . 7 ARG NE 1 1
5 750 1 1 7 ARG NH1 N -8.933 -0.875 -1.454 1.00 . A A . 7 ARG NH1 1 1
5 751 1 1 7 ARG NH2 N -9.134 0.013 -3.524 1.00 . A A . 7 ARG NH2 1 1
5 752 1 1 7 ARG O O -4.502 -2.853 -7.762 1.00 . A A . 7 ARG O 1 1
5 753 1 1 8 GLY C C -5.406 1.179 -6.947 1.00 . A A . 8 GLY C 1 1
5 754 1 1 8 GLY CA C -4.885 -0.179 -7.427 1.00 . A A . 8 GLY CA 1 1
5 755 1 1 8 GLY H H -5.796 -1.011 -5.667 1.00 . A A . 8 GLY H 1 1
5 756 1 1 8 GLY HA2 H -3.805 -0.159 -7.465 1.00 . A A . 8 GLY HA2 1 1
5 757 1 1 8 GLY HA3 H -5.275 -0.382 -8.413 1.00 . A A . 8 GLY HA3 1 1
5 758 1 1 8 GLY N N -5.326 -1.250 -6.491 1.00 . A A . 8 GLY N 1 1
5 759 1 1 8 GLY O O -5.727 2.038 -7.748 1.00 . A A . 8 GLY O 1 1
5 760 1 1 9 ASP C C -4.874 3.451 -4.424 1.00 . A A . 9 ASP C 1 1
5 761 1 1 9 ASP CA C -5.997 2.701 -5.143 1.00 . A A . 9 ASP CA 1 1
5 762 1 1 9 ASP CB C -7.117 2.347 -4.164 1.00 . A A . 9 ASP CB 1 1
5 763 1 1 9 ASP CG C -7.965 3.589 -3.887 1.00 . A A . 9 ASP CG 1 1
5 764 1 1 9 ASP H H -5.232 0.685 -5.009 1.00 . A A . 9 ASP H 1 1
5 765 1 1 9 ASP HA H -6.388 3.294 -5.953 1.00 . A A . 9 ASP HA 1 1
5 766 1 1 9 ASP HB2 H -7.738 1.574 -4.593 1.00 . A A . 9 ASP HB2 1 1
5 767 1 1 9 ASP HB3 H -6.688 1.992 -3.239 1.00 . A A . 9 ASP HB3 1 1
5 768 1 1 9 ASP N N -5.495 1.389 -5.650 1.00 . A A . 9 ASP N 1 1
5 769 1 1 9 ASP O O -3.958 2.850 -3.907 1.00 . A A . 9 ASP O 1 1
5 770 1 1 9 ASP OD1 O -7.430 4.538 -3.338 1.00 . A A . 9 ASP OD1 1 1
5 771 1 1 9 ASP OD2 O -9.136 3.571 -4.230 1.00 . A A . 9 ASP OD2 1 1
5 772 1 1 10 CYS C C -4.309 7.053 -3.687 1.00 . A A . 10 CYS C 1 1
5 773 1 1 10 CYS CA C -3.891 5.579 -3.702 1.00 . A A . 10 CYS CA 1 1
5 774 1 1 10 CYS CB C -2.611 5.397 -4.532 1.00 . A A . 10 CYS CB 1 1
5 775 1 1 10 CYS H H -5.705 5.210 -4.823 1.00 . A A . 10 CYS H 1 1
5 776 1 1 10 CYS HA H -3.739 5.232 -2.698 1.00 . A A . 10 CYS HA 1 1
5 777 1 1 10 CYS HB2 H -2.865 4.972 -5.491 1.00 . A A . 10 CYS HB2 1 1
5 778 1 1 10 CYS HB3 H -2.141 6.358 -4.683 1.00 . A A . 10 CYS HB3 1 1
5 779 1 1 10 CYS N N -4.947 4.761 -4.392 1.00 . A A . 10 CYS N 1 1
5 780 1 1 10 CYS O O -3.481 7.944 -3.699 1.00 . A A . 10 CYS O 1 1
5 781 1 1 10 CYS SG S -1.451 4.290 -3.677 1.00 . A A . 10 CYS SG 1 1
5 782 1 1 11 TYR C C -7.596 8.710 -3.394 1.00 . A A . 11 TYR C 1 1
5 783 1 1 11 TYR CA C -6.091 8.714 -3.645 1.00 . A A . 11 TYR CA 1 1
5 784 1 1 11 TYR CB C -5.766 9.287 -5.032 1.00 . A A . 11 TYR CB 1 1
5 785 1 1 11 TYR CD1 C -7.719 8.728 -6.529 1.00 . A A . 11 TYR CD1 1 1
5 786 1 1 11 TYR CD2 C -5.708 7.383 -6.687 1.00 . A A . 11 TYR CD2 1 1
5 787 1 1 11 TYR CE1 C -8.319 7.948 -7.526 1.00 . A A . 11 TYR CE1 1 1
5 788 1 1 11 TYR CE2 C -6.308 6.603 -7.684 1.00 . A A . 11 TYR CE2 1 1
5 789 1 1 11 TYR CG C -6.414 8.445 -6.111 1.00 . A A . 11 TYR CG 1 1
5 790 1 1 11 TYR CZ C -7.613 6.886 -8.102 1.00 . A A . 11 TYR CZ 1 1
5 791 1 1 11 TYR H H -6.233 6.573 -3.640 1.00 . A A . 11 TYR H 1 1
5 792 1 1 11 TYR HA H -5.587 9.282 -2.882 1.00 . A A . 11 TYR HA 1 1
5 793 1 1 11 TYR HB2 H -6.138 10.299 -5.097 1.00 . A A . 11 TYR HB2 1 1
5 794 1 1 11 TYR HB3 H -4.696 9.290 -5.176 1.00 . A A . 11 TYR HB3 1 1
5 795 1 1 11 TYR HD1 H -8.264 9.548 -6.084 1.00 . A A . 11 TYR HD1 1 1
5 796 1 1 11 TYR HD2 H -4.701 7.166 -6.364 1.00 . A A . 11 TYR HD2 1 1
5 797 1 1 11 TYR HE1 H -9.327 8.166 -7.849 1.00 . A A . 11 TYR HE1 1 1
5 798 1 1 11 TYR HE2 H -5.763 5.784 -8.129 1.00 . A A . 11 TYR HE2 1 1
5 799 1 1 11 TYR HH H -8.017 6.525 -9.933 1.00 . A A . 11 TYR HH 1 1
5 800 1 1 11 TYR N N -5.592 7.309 -3.661 1.00 . A A . 11 TYR N 1 1
5 801 1 1 11 TYR O O -8.168 7.699 -3.032 1.00 . A A . 11 TYR O 1 1
5 802 1 1 11 TYR OH O -8.204 6.118 -9.085 1.00 . A A . 11 TYR OH 1 1
5 803 1 1 12 CYS C C -10.441 9.965 -4.730 1.00 . A A . 12 CYS C 1 1
5 804 1 1 12 CYS CA C -9.715 9.883 -3.384 1.00 . A A . 12 CYS CA 1 1
5 805 1 1 12 CYS CB C -9.953 11.154 -2.569 1.00 . A A . 12 CYS CB 1 1
5 806 1 1 12 CYS H H -7.757 10.621 -3.900 1.00 . A A . 12 CYS H 1 1
5 807 1 1 12 CYS HA H -10.042 9.017 -2.830 1.00 . A A . 12 CYS HA 1 1
5 808 1 1 12 CYS HB2 H -9.506 11.996 -3.076 1.00 . A A . 12 CYS HB2 1 1
5 809 1 1 12 CYS HB3 H -11.015 11.319 -2.463 1.00 . A A . 12 CYS HB3 1 1
5 810 1 1 12 CYS N N -8.241 9.825 -3.598 1.00 . A A . 12 CYS N 1 1
5 811 1 1 12 CYS O O -11.239 9.109 -5.060 1.00 . A A . 12 CYS O 1 1
5 812 1 1 12 CYS SG S -9.205 10.971 -0.931 1.00 . A A . 12 CYS SG 1 1
5 813 1 1 13 NH2 HN1 H -9.552 11.658 -5.263 1.00 . A A . 13 NH2 HN1 1 1
5 814 1 1 13 NH2 HN2 H -10.653 11.029 -6.391 1.00 . A A . 13 NH2 HN2 1 1
5 815 1 1 13 NH2 N N -10.195 10.968 -5.528 1.00 . A A . 13 NH2 N 1 1
6 816 1 1 1 ACE C C -8.627 8.875 2.907 1.00 . A A . 1 ACE C 1 1
6 817 1 1 1 ACE CH3 C -8.300 9.609 4.208 1.00 . A A . 1 ACE CH3 1 1
6 818 1 1 1 ACE H1 H -7.941 10.602 3.982 1.00 . A A . 1 ACE H1 1 1
6 819 1 1 1 ACE H2 H -7.538 9.065 4.747 1.00 . A A . 1 ACE H2 1 1
6 820 1 1 1 ACE H3 H -9.191 9.678 4.816 1.00 . A A . 1 ACE H3 1 1
6 821 1 1 1 ACE O O -9.679 8.279 2.768 1.00 . A A . 1 ACE O 1 1
6 822 1 1 2 CYS C C -7.743 6.724 0.807 1.00 . A A . 2 CYS C 1 1
6 823 1 1 2 CYS CA C -7.981 8.225 0.652 1.00 . A A . 2 CYS CA 1 1
6 824 1 1 2 CYS CB C -6.978 8.833 -0.338 1.00 . A A . 2 CYS CB 1 1
6 825 1 1 2 CYS H H -6.896 9.405 2.090 1.00 . A A . 2 CYS H 1 1
6 826 1 1 2 CYS HA H -8.987 8.405 0.315 1.00 . A A . 2 CYS HA 1 1
6 827 1 1 2 CYS HB2 H -5.975 8.602 -0.013 1.00 . A A . 2 CYS HB2 1 1
6 828 1 1 2 CYS HB3 H -7.141 8.406 -1.315 1.00 . A A . 2 CYS HB3 1 1
6 829 1 1 2 CYS N N -7.732 8.917 1.953 1.00 . A A . 2 CYS N 1 1
6 830 1 1 2 CYS O O -7.646 6.213 1.907 1.00 . A A . 2 CYS O 1 1
6 831 1 1 2 CYS SG S -7.175 10.640 -0.430 1.00 . A A . 2 CYS SG 1 1
6 832 1 1 3 TYR C C -6.181 4.121 -0.954 1.00 . A A . 3 TYR C 1 1
6 833 1 1 3 TYR CA C -7.447 4.539 -0.209 1.00 . A A . 3 TYR CA 1 1
6 834 1 1 3 TYR CB C -8.684 3.927 -0.867 1.00 . A A . 3 TYR CB 1 1
6 835 1 1 3 TYR CD1 C -10.115 3.683 1.193 1.00 . A A . 3 TYR CD1 1 1
6 836 1 1 3 TYR CD2 C -10.837 5.200 -0.556 1.00 . A A . 3 TYR CD2 1 1
6 837 1 1 3 TYR CE1 C -11.250 4.011 1.945 1.00 . A A . 3 TYR CE1 1 1
6 838 1 1 3 TYR CE2 C -11.972 5.526 0.198 1.00 . A A . 3 TYR CE2 1 1
6 839 1 1 3 TYR CG C -9.908 4.278 -0.057 1.00 . A A . 3 TYR CG 1 1
6 840 1 1 3 TYR CZ C -12.178 4.932 1.448 1.00 . A A . 3 TYR CZ 1 1
6 841 1 1 3 TYR H H -7.755 6.450 -1.160 1.00 . A A . 3 TYR H 1 1
6 842 1 1 3 TYR HA H -7.389 4.225 0.814 1.00 . A A . 3 TYR HA 1 1
6 843 1 1 3 TYR HB2 H -8.789 4.318 -1.869 1.00 . A A . 3 TYR HB2 1 1
6 844 1 1 3 TYR HB3 H -8.576 2.854 -0.909 1.00 . A A . 3 TYR HB3 1 1
6 845 1 1 3 TYR HD1 H -9.398 2.972 1.578 1.00 . A A . 3 TYR HD1 1 1
6 846 1 1 3 TYR HD2 H -10.678 5.658 -1.520 1.00 . A A . 3 TYR HD2 1 1
6 847 1 1 3 TYR HE1 H -11.408 3.550 2.910 1.00 . A A . 3 TYR HE1 1 1
6 848 1 1 3 TYR HE2 H -12.688 6.238 -0.187 1.00 . A A . 3 TYR HE2 1 1
6 849 1 1 3 TYR HH H -13.778 4.443 2.368 1.00 . A A . 3 TYR HH 1 1
6 850 1 1 3 TYR N N -7.662 6.014 -0.288 1.00 . A A . 3 TYR N 1 1
6 851 1 1 3 TYR O O -6.179 3.991 -2.161 1.00 . A A . 3 TYR O 1 1
6 852 1 1 3 TYR OH O -13.296 5.255 2.189 1.00 . A A . 3 TYR OH 1 1
6 853 1 1 4 CYS C C -3.559 1.989 -0.507 1.00 . A A . 4 CYS C 1 1
6 854 1 1 4 CYS CA C -3.851 3.438 -0.892 1.00 . A A . 4 CYS CA 1 1
6 855 1 1 4 CYS CB C -2.755 4.375 -0.387 1.00 . A A . 4 CYS CB 1 1
6 856 1 1 4 CYS H H -5.149 3.973 0.741 1.00 . A A . 4 CYS H 1 1
6 857 1 1 4 CYS HA H -3.943 3.522 -1.952 1.00 . A A . 4 CYS HA 1 1
6 858 1 1 4 CYS HB2 H -3.125 5.390 -0.375 1.00 . A A . 4 CYS HB2 1 1
6 859 1 1 4 CYS HB3 H -2.460 4.084 0.610 1.00 . A A . 4 CYS HB3 1 1
6 860 1 1 4 CYS N N -5.114 3.880 -0.235 1.00 . A A . 4 CYS N 1 1
6 861 1 1 4 CYS O O -2.968 1.717 0.521 1.00 . A A . 4 CYS O 1 1
6 862 1 1 4 CYS SG S -1.326 4.265 -1.498 1.00 . A A . 4 CYS SG 1 1
6 863 1 1 5 SER C C -3.108 -1.134 -2.158 1.00 . A A . 5 SER C 1 1
6 864 1 1 5 SER CA C -3.764 -0.382 -0.997 1.00 . A A . 5 SER CA 1 1
6 865 1 1 5 SER CB C -5.149 -0.940 -0.691 1.00 . A A . 5 SER CB 1 1
6 866 1 1 5 SER H H -4.478 1.306 -2.129 1.00 . A A . 5 SER H 1 1
6 867 1 1 5 SER HA H -3.149 -0.462 -0.130 1.00 . A A . 5 SER HA 1 1
6 868 1 1 5 SER HB2 H -5.903 -0.282 -1.090 1.00 . A A . 5 SER HB2 1 1
6 869 1 1 5 SER HB3 H -5.252 -1.917 -1.145 1.00 . A A . 5 SER HB3 1 1
6 870 1 1 5 SER HG H -6.217 -0.794 0.929 1.00 . A A . 5 SER HG 1 1
6 871 1 1 5 SER N N -3.992 1.056 -1.319 1.00 . A A . 5 SER N 1 1
6 872 1 1 5 SER O O -2.566 -0.543 -3.073 1.00 . A A . 5 SER O 1 1
6 873 1 1 5 SER OG O -5.314 -1.040 0.718 1.00 . A A . 5 SER OG 1 1
6 874 1 1 6 LEU C C -3.390 -3.537 -4.351 1.00 . A A . 6 LEU C 1 1
6 875 1 1 6 LEU CA C -2.466 -3.266 -3.157 1.00 . A A . 6 LEU CA 1 1
6 876 1 1 6 LEU CB C -2.101 -4.579 -2.464 1.00 . A A . 6 LEU CB 1 1
6 877 1 1 6 LEU CD1 C -1.369 -5.284 -0.181 1.00 . A A . 6 LEU CD1 1 1
6 878 1 1 6 LEU CD2 C 0.317 -4.486 -1.839 1.00 . A A . 6 LEU CD2 1 1
6 879 1 1 6 LEU CG C -1.113 -4.305 -1.327 1.00 . A A . 6 LEU CG 1 1
6 880 1 1 6 LEU H H -3.539 -2.886 -1.328 1.00 . A A . 6 LEU H 1 1
6 881 1 1 6 LEU HA H -1.569 -2.778 -3.493 1.00 . A A . 6 LEU HA 1 1
6 882 1 1 6 LEU HB2 H -2.995 -5.035 -2.062 1.00 . A A . 6 LEU HB2 1 1
6 883 1 1 6 LEU HB3 H -1.647 -5.249 -3.178 1.00 . A A . 6 LEU HB3 1 1
6 884 1 1 6 LEU HD11 H -1.736 -6.218 -0.579 1.00 . A A . 6 LEU HD11 1 1
6 885 1 1 6 LEU HD12 H -2.103 -4.866 0.493 1.00 . A A . 6 LEU HD12 1 1
6 886 1 1 6 LEU HD13 H -0.447 -5.460 0.356 1.00 . A A . 6 LEU HD13 1 1
6 887 1 1 6 LEU HD21 H 0.404 -4.058 -2.826 1.00 . A A . 6 LEU HD21 1 1
6 888 1 1 6 LEU HD22 H 0.553 -5.540 -1.881 1.00 . A A . 6 LEU HD22 1 1
6 889 1 1 6 LEU HD23 H 1.004 -3.991 -1.169 1.00 . A A . 6 LEU HD23 1 1
6 890 1 1 6 LEU HG H -1.245 -3.293 -0.973 1.00 . A A . 6 LEU HG 1 1
6 891 1 1 6 LEU N N -3.123 -2.443 -2.096 1.00 . A A . 6 LEU N 1 1
6 892 1 1 6 LEU O O -2.940 -4.027 -5.372 1.00 . A A . 6 LEU O 1 1
6 893 1 1 7 ARG C C -5.264 -2.489 -6.549 1.00 . A A . 7 ARG C 1 1
6 894 1 1 7 ARG CA C -5.568 -3.489 -5.417 1.00 . A A . 7 ARG CA 1 1
6 895 1 1 7 ARG CB C -7.009 -3.346 -4.866 1.00 . A A . 7 ARG CB 1 1
6 896 1 1 7 ARG CD C -8.345 -1.588 -3.680 1.00 . A A . 7 ARG CD 1 1
6 897 1 1 7 ARG CG C -7.511 -1.889 -4.922 1.00 . A A . 7 ARG CG 1 1
6 898 1 1 7 ARG CZ C -7.816 -2.072 -1.373 1.00 . A A . 7 ARG CZ 1 1
6 899 1 1 7 ARG H H -5.015 -2.835 -3.428 1.00 . A A . 7 ARG H 1 1
6 900 1 1 7 ARG HA H -5.417 -4.497 -5.775 1.00 . A A . 7 ARG HA 1 1
6 901 1 1 7 ARG HB2 H -7.670 -3.967 -5.452 1.00 . A A . 7 ARG HB2 1 1
6 902 1 1 7 ARG HB3 H -7.026 -3.688 -3.840 1.00 . A A . 7 ARG HB3 1 1
6 903 1 1 7 ARG HD2 H -8.741 -0.583 -3.726 1.00 . A A . 7 ARG HD2 1 1
6 904 1 1 7 ARG HD3 H -9.143 -2.308 -3.576 1.00 . A A . 7 ARG HD3 1 1
6 905 1 1 7 ARG HG2 H -6.667 -1.217 -4.957 1.00 . A A . 7 ARG HG2 1 1
6 906 1 1 7 ARG HG3 H -8.119 -1.751 -5.804 1.00 . A A . 7 ARG HG3 1 1
6 907 1 1 7 ARG HH11 H -9.106 -0.548 -1.227 1.00 . A A . 7 ARG HH11 1 1
6 908 1 1 7 ARG HH12 H -9.064 -1.626 0.127 1.00 . A A . 7 ARG HH12 1 1
6 909 1 1 7 ARG HH21 H -6.624 -3.674 -1.241 1.00 . A A . 7 ARG HH21 1 1
6 910 1 1 7 ARG HH22 H -7.658 -3.397 0.120 1.00 . A A . 7 ARG HH22 1 1
6 911 1 1 7 ARG N N -4.662 -3.231 -4.252 1.00 . A A . 7 ARG N 1 1
6 912 1 1 7 ARG NE N -7.387 -1.723 -2.556 1.00 . A A . 7 ARG NE 1 1
6 913 1 1 7 ARG NH1 N -8.734 -1.360 -0.778 1.00 . A A . 7 ARG NH1 1 1
6 914 1 1 7 ARG NH2 N -7.328 -3.130 -0.786 1.00 . A A . 7 ARG NH2 1 1
6 915 1 1 7 ARG O O -5.639 -2.697 -7.687 1.00 . A A . 7 ARG O 1 1
6 916 1 1 8 GLY C C -4.901 0.943 -6.918 1.00 . A A . 8 GLY C 1 1
6 917 1 1 8 GLY CA C -4.256 -0.399 -7.273 1.00 . A A . 8 GLY CA 1 1
6 918 1 1 8 GLY H H -4.295 -1.266 -5.312 1.00 . A A . 8 GLY H 1 1
6 919 1 1 8 GLY HA2 H -3.183 -0.281 -7.329 1.00 . A A . 8 GLY HA2 1 1
6 920 1 1 8 GLY HA3 H -4.631 -0.731 -8.230 1.00 . A A . 8 GLY HA3 1 1
6 921 1 1 8 GLY N N -4.587 -1.410 -6.235 1.00 . A A . 8 GLY N 1 1
6 922 1 1 8 GLY O O -5.145 1.759 -7.786 1.00 . A A . 8 GLY O 1 1
6 923 1 1 9 ASP C C -4.796 3.308 -4.445 1.00 . A A . 9 ASP C 1 1
6 924 1 1 9 ASP CA C -5.790 2.495 -5.273 1.00 . A A . 9 ASP CA 1 1
6 925 1 1 9 ASP CB C -7.045 2.142 -4.462 1.00 . A A . 9 ASP CB 1 1
6 926 1 1 9 ASP CG C -6.674 1.300 -3.238 1.00 . A A . 9 ASP CG 1 1
6 927 1 1 9 ASP H H -4.960 0.523 -4.949 1.00 . A A . 9 ASP H 1 1
6 928 1 1 9 ASP HA H -6.070 3.043 -6.160 1.00 . A A . 9 ASP HA 1 1
6 929 1 1 9 ASP HB2 H -7.526 3.052 -4.136 1.00 . A A . 9 ASP HB2 1 1
6 930 1 1 9 ASP HB3 H -7.726 1.582 -5.086 1.00 . A A . 9 ASP HB3 1 1
6 931 1 1 9 ASP N N -5.172 1.190 -5.652 1.00 . A A . 9 ASP N 1 1
6 932 1 1 9 ASP O O -3.866 2.757 -3.900 1.00 . A A . 9 ASP O 1 1
6 933 1 1 9 ASP OD1 O -6.007 0.294 -3.410 1.00 . A A . 9 ASP OD1 1 1
6 934 1 1 9 ASP OD2 O -7.068 1.675 -2.147 1.00 . A A . 9 ASP OD2 1 1
6 935 1 1 10 CYS C C -4.499 6.956 -3.868 1.00 . A A . 10 CYS C 1 1
6 936 1 1 10 CYS CA C -4.089 5.521 -3.568 1.00 . A A . 10 CYS CA 1 1
6 937 1 1 10 CYS CB C -2.642 5.294 -4.041 1.00 . A A . 10 CYS CB 1 1
6 938 1 1 10 CYS H H -5.779 5.007 -4.812 1.00 . A A . 10 CYS H 1 1
6 939 1 1 10 CYS HA H -4.177 5.325 -2.513 1.00 . A A . 10 CYS HA 1 1
6 940 1 1 10 CYS HB2 H -2.470 4.255 -4.246 1.00 . A A . 10 CYS HB2 1 1
6 941 1 1 10 CYS HB3 H -2.465 5.870 -4.937 1.00 . A A . 10 CYS HB3 1 1
6 942 1 1 10 CYS N N -4.998 4.611 -4.356 1.00 . A A . 10 CYS N 1 1
6 943 1 1 10 CYS O O -3.680 7.819 -4.119 1.00 . A A . 10 CYS O 1 1
6 944 1 1 10 CYS SG S -1.509 5.851 -2.740 1.00 . A A . 10 CYS SG 1 1
6 945 1 1 11 TYR C C -7.751 8.617 -3.719 1.00 . A A . 11 TYR C 1 1
6 946 1 1 11 TYR CA C -6.295 8.558 -4.151 1.00 . A A . 11 TYR CA 1 1
6 947 1 1 11 TYR CB C -6.160 8.725 -5.672 1.00 . A A . 11 TYR CB 1 1
6 948 1 1 11 TYR CD1 C -8.296 7.798 -6.650 1.00 . A A . 11 TYR CD1 1 1
6 949 1 1 11 TYR CD2 C -6.276 6.462 -6.790 1.00 . A A . 11 TYR CD2 1 1
6 950 1 1 11 TYR CE1 C -9.008 6.790 -7.311 1.00 . A A . 11 TYR CE1 1 1
6 951 1 1 11 TYR CE2 C -6.989 5.455 -7.450 1.00 . A A . 11 TYR CE2 1 1
6 952 1 1 11 TYR CG C -6.929 7.635 -6.390 1.00 . A A . 11 TYR CG 1 1
6 953 1 1 11 TYR CZ C -8.355 5.619 -7.710 1.00 . A A . 11 TYR CZ 1 1
6 954 1 1 11 TYR H H -6.404 6.472 -3.652 1.00 . A A . 11 TYR H 1 1
6 955 1 1 11 TYR HA H -5.713 9.308 -3.638 1.00 . A A . 11 TYR HA 1 1
6 956 1 1 11 TYR HB2 H -6.553 9.689 -5.962 1.00 . A A . 11 TYR HB2 1 1
6 957 1 1 11 TYR HB3 H -5.117 8.667 -5.948 1.00 . A A . 11 TYR HB3 1 1
6 958 1 1 11 TYR HD1 H -8.799 8.702 -6.342 1.00 . A A . 11 TYR HD1 1 1
6 959 1 1 11 TYR HD2 H -5.223 6.337 -6.589 1.00 . A A . 11 TYR HD2 1 1
6 960 1 1 11 TYR HE1 H -10.062 6.916 -7.513 1.00 . A A . 11 TYR HE1 1 1
6 961 1 1 11 TYR HE2 H -6.485 4.550 -7.759 1.00 . A A . 11 TYR HE2 1 1
6 962 1 1 11 TYR HH H -9.327 3.975 -7.708 1.00 . A A . 11 TYR HH 1 1
6 963 1 1 11 TYR N N -5.774 7.198 -3.856 1.00 . A A . 11 TYR N 1 1
6 964 1 1 11 TYR O O -8.479 7.648 -3.853 1.00 . A A . 11 TYR O 1 1
6 965 1 1 11 TYR OH O -9.058 4.624 -8.362 1.00 . A A . 11 TYR OH 1 1
6 966 1 1 12 CYS C C -10.540 9.750 -3.929 1.00 . A A . 12 CYS C 1 1
6 967 1 1 12 CYS CA C -9.592 9.808 -2.728 1.00 . A A . 12 CYS CA 1 1
6 968 1 1 12 CYS CB C -9.711 11.153 -2.010 1.00 . A A . 12 CYS CB 1 1
6 969 1 1 12 CYS H H -7.574 10.484 -3.073 1.00 . A A . 12 CYS H 1 1
6 970 1 1 12 CYS HA H -9.792 8.994 -2.047 1.00 . A A . 12 CYS HA 1 1
6 971 1 1 12 CYS HB2 H -9.094 11.883 -2.510 1.00 . A A . 12 CYS HB2 1 1
6 972 1 1 12 CYS HB3 H -10.740 11.479 -2.028 1.00 . A A . 12 CYS HB3 1 1
6 973 1 1 12 CYS N N -8.181 9.722 -3.186 1.00 . A A . 12 CYS N 1 1
6 974 1 1 12 CYS O O -10.560 10.644 -4.752 1.00 . A A . 12 CYS O 1 1
6 975 1 1 12 CYS SG S -9.165 10.980 -0.295 1.00 . A A . 12 CYS SG 1 1
6 976 1 1 13 NH2 HN1 H -11.324 8.004 -3.402 1.00 . A A . 13 NH2 HN1 1 1
6 977 1 1 13 NH2 HN2 H -11.949 8.678 -4.829 1.00 . A A . 13 NH2 HN2 1 1
6 978 1 1 13 NH2 N N -11.337 8.726 -4.065 1.00 . A A . 13 NH2 N 1 1
7 979 1 1 1 ACE C C -10.455 5.671 -0.811 1.00 . A A . 1 ACE C 1 1
7 980 1 1 1 ACE CH3 C -11.449 4.525 -0.617 1.00 . A A . 1 ACE CH3 1 1
7 981 1 1 1 ACE H1 H -12.399 4.923 -0.292 1.00 . A A . 1 ACE H1 1 1
7 982 1 1 1 ACE H2 H -11.071 3.842 0.130 1.00 . A A . 1 ACE H2 1 1
7 983 1 1 1 ACE H3 H -11.580 4.001 -1.552 1.00 . A A . 1 ACE H3 1 1
7 984 1 1 1 ACE O O -10.221 6.119 -1.917 1.00 . A A . 1 ACE O 1 1
7 985 1 1 2 CYS C C -7.536 6.837 0.720 1.00 . A A . 2 CYS C 1 1
7 986 1 1 2 CYS CA C -8.887 7.266 0.147 1.00 . A A . 2 CYS CA 1 1
7 987 1 1 2 CYS CB C -9.487 8.404 0.978 1.00 . A A . 2 CYS CB 1 1
7 988 1 1 2 CYS H H -10.078 5.767 1.139 1.00 . A A . 2 CYS H 1 1
7 989 1 1 2 CYS HA H -8.780 7.569 -0.880 1.00 . A A . 2 CYS HA 1 1
7 990 1 1 2 CYS HB2 H -10.550 8.249 1.083 1.00 . A A . 2 CYS HB2 1 1
7 991 1 1 2 CYS HB3 H -9.029 8.415 1.956 1.00 . A A . 2 CYS HB3 1 1
7 992 1 1 2 CYS N N -9.870 6.148 0.260 1.00 . A A . 2 CYS N 1 1
7 993 1 1 2 CYS O O -6.941 7.534 1.522 1.00 . A A . 2 CYS O 1 1
7 994 1 1 2 CYS SG S -9.188 9.988 0.154 1.00 . A A . 2 CYS SG 1 1
7 995 1 1 3 TYR C C -4.999 4.412 -0.250 1.00 . A A . 3 TYR C 1 1
7 996 1 1 3 TYR CA C -5.739 5.203 0.827 1.00 . A A . 3 TYR CA 1 1
7 997 1 1 3 TYR CB C -6.087 4.302 2.014 1.00 . A A . 3 TYR CB 1 1
7 998 1 1 3 TYR CD1 C -4.950 5.746 3.740 1.00 . A A . 3 TYR CD1 1 1
7 999 1 1 3 TYR CD2 C -4.249 3.436 3.507 1.00 . A A . 3 TYR CD2 1 1
7 1000 1 1 3 TYR CE1 C -4.007 5.930 4.758 1.00 . A A . 3 TYR CE1 1 1
7 1001 1 1 3 TYR CE2 C -3.308 3.619 4.527 1.00 . A A . 3 TYR CE2 1 1
7 1002 1 1 3 TYR CG C -5.071 4.499 3.114 1.00 . A A . 3 TYR CG 1 1
7 1003 1 1 3 TYR CZ C -3.186 4.866 5.152 1.00 . A A . 3 TYR CZ 1 1
7 1004 1 1 3 TYR H H -7.558 5.159 -0.335 1.00 . A A . 3 TYR H 1 1
7 1005 1 1 3 TYR HA H -5.136 6.030 1.157 1.00 . A A . 3 TYR HA 1 1
7 1006 1 1 3 TYR HB2 H -7.071 4.557 2.382 1.00 . A A . 3 TYR HB2 1 1
7 1007 1 1 3 TYR HB3 H -6.078 3.271 1.697 1.00 . A A . 3 TYR HB3 1 1
7 1008 1 1 3 TYR HD1 H -5.584 6.566 3.436 1.00 . A A . 3 TYR HD1 1 1
7 1009 1 1 3 TYR HD2 H -4.343 2.474 3.025 1.00 . A A . 3 TYR HD2 1 1
7 1010 1 1 3 TYR HE1 H -3.915 6.892 5.241 1.00 . A A . 3 TYR HE1 1 1
7 1011 1 1 3 TYR HE2 H -2.673 2.800 4.830 1.00 . A A . 3 TYR HE2 1 1
7 1012 1 1 3 TYR HH H -2.701 4.921 6.998 1.00 . A A . 3 TYR HH 1 1
7 1013 1 1 3 TYR N N -7.053 5.694 0.312 1.00 . A A . 3 TYR N 1 1
7 1014 1 1 3 TYR O O -5.561 4.053 -1.268 1.00 . A A . 3 TYR O 1 1
7 1015 1 1 3 TYR OH O -2.257 5.047 6.157 1.00 . A A . 3 TYR OH 1 1
7 1016 1 1 4 CYS C C -3.102 1.862 -0.757 1.00 . A A . 4 CYS C 1 1
7 1017 1 1 4 CYS CA C -2.952 3.358 -1.025 1.00 . A A . 4 CYS CA 1 1
7 1018 1 1 4 CYS CB C -1.504 3.820 -0.850 1.00 . A A . 4 CYS CB 1 1
7 1019 1 1 4 CYS H H -3.314 4.431 0.806 1.00 . A A . 4 CYS H 1 1
7 1020 1 1 4 CYS HA H -3.290 3.584 -2.014 1.00 . A A . 4 CYS HA 1 1
7 1021 1 1 4 CYS HB2 H -1.342 4.118 0.176 1.00 . A A . 4 CYS HB2 1 1
7 1022 1 1 4 CYS HB3 H -0.835 3.011 -1.101 1.00 . A A . 4 CYS HB3 1 1
7 1023 1 1 4 CYS N N -3.739 4.133 -0.025 1.00 . A A . 4 CYS N 1 1
7 1024 1 1 4 CYS O O -2.260 1.238 -0.140 1.00 . A A . 4 CYS O 1 1
7 1025 1 1 4 CYS SG S -1.191 5.229 -1.948 1.00 . A A . 4 CYS SG 1 1
7 1026 1 1 5 SER C C -3.603 -1.011 -1.962 1.00 . A A . 5 SER C 1 1
7 1027 1 1 5 SER CA C -4.433 -0.161 -0.997 1.00 . A A . 5 SER CA 1 1
7 1028 1 1 5 SER CB C -5.925 -0.350 -1.247 1.00 . A A . 5 SER CB 1 1
7 1029 1 1 5 SER H H -4.847 1.833 -1.702 1.00 . A A . 5 SER H 1 1
7 1030 1 1 5 SER HA H -4.202 -0.427 0.014 1.00 . A A . 5 SER HA 1 1
7 1031 1 1 5 SER HB2 H -6.169 -1.397 -1.202 1.00 . A A . 5 SER HB2 1 1
7 1032 1 1 5 SER HB3 H -6.486 0.182 -0.490 1.00 . A A . 5 SER HB3 1 1
7 1033 1 1 5 SER HG H -7.163 0.450 -2.517 1.00 . A A . 5 SER HG 1 1
7 1034 1 1 5 SER N N -4.186 1.294 -1.218 1.00 . A A . 5 SER N 1 1
7 1035 1 1 5 SER O O -2.677 -0.531 -2.587 1.00 . A A . 5 SER O 1 1
7 1036 1 1 5 SER OG O -6.250 0.152 -2.536 1.00 . A A . 5 SER OG 1 1
7 1037 1 1 6 LEU C C -3.851 -3.429 -4.291 1.00 . A A . 6 LEU C 1 1
7 1038 1 1 6 LEU CA C -3.132 -3.182 -2.958 1.00 . A A . 6 LEU CA 1 1
7 1039 1 1 6 LEU CB C -2.998 -4.489 -2.178 1.00 . A A . 6 LEU CB 1 1
7 1040 1 1 6 LEU CD1 C -1.811 -5.464 -0.208 1.00 . A A . 6 LEU CD1 1 1
7 1041 1 1 6 LEU CD2 C -0.530 -4.863 -2.264 1.00 . A A . 6 LEU CD2 1 1
7 1042 1 1 6 LEU CG C -1.703 -4.469 -1.365 1.00 . A A . 6 LEU CG 1 1
7 1043 1 1 6 LEU H H -4.652 -2.642 -1.528 1.00 . A A . 6 LEU H 1 1
7 1044 1 1 6 LEU HA H -2.154 -2.767 -3.138 1.00 . A A . 6 LEU HA 1 1
7 1045 1 1 6 LEU HB2 H -3.841 -4.598 -1.511 1.00 . A A . 6 LEU HB2 1 1
7 1046 1 1 6 LEU HB3 H -2.974 -5.320 -2.868 1.00 . A A . 6 LEU HB3 1 1
7 1047 1 1 6 LEU HD11 H -2.058 -6.442 -0.595 1.00 . A A . 6 LEU HD11 1 1
7 1048 1 1 6 LEU HD12 H -2.585 -5.142 0.474 1.00 . A A . 6 LEU HD12 1 1
7 1049 1 1 6 LEU HD13 H -0.868 -5.512 0.315 1.00 . A A . 6 LEU HD13 1 1
7 1050 1 1 6 LEU HD21 H -0.513 -4.223 -3.135 1.00 . A A . 6 LEU HD21 1 1
7 1051 1 1 6 LEU HD22 H -0.644 -5.891 -2.576 1.00 . A A . 6 LEU HD22 1 1
7 1052 1 1 6 LEU HD23 H 0.396 -4.753 -1.719 1.00 . A A . 6 LEU HD23 1 1
7 1053 1 1 6 LEU HG H -1.540 -3.476 -0.970 1.00 . A A . 6 LEU HG 1 1
7 1054 1 1 6 LEU N N -3.915 -2.280 -2.061 1.00 . A A . 6 LEU N 1 1
7 1055 1 1 6 LEU O O -3.239 -3.874 -5.245 1.00 . A A . 6 LEU O 1 1
7 1056 1 1 7 ARG C C -5.437 -2.331 -6.712 1.00 . A A . 7 ARG C 1 1
7 1057 1 1 7 ARG CA C -5.851 -3.385 -5.668 1.00 . A A . 7 ARG CA 1 1
7 1058 1 1 7 ARG CB C -7.361 -3.327 -5.326 1.00 . A A . 7 ARG CB 1 1
7 1059 1 1 7 ARG CD C -8.874 -1.688 -4.177 1.00 . A A . 7 ARG CD 1 1
7 1060 1 1 7 ARG CG C -7.902 -1.884 -5.341 1.00 . A A . 7 ARG CG 1 1
7 1061 1 1 7 ARG CZ C -8.535 -1.904 -1.792 1.00 . A A . 7 ARG CZ 1 1
7 1062 1 1 7 ARG H H -5.609 -2.791 -3.598 1.00 . A A . 7 ARG H 1 1
7 1063 1 1 7 ARG HA H -5.608 -4.370 -6.038 1.00 . A A . 7 ARG HA 1 1
7 1064 1 1 7 ARG HB2 H -7.906 -3.913 -6.050 1.00 . A A . 7 ARG HB2 1 1
7 1065 1 1 7 ARG HB3 H -7.513 -3.753 -4.344 1.00 . A A . 7 ARG HB3 1 1
7 1066 1 1 7 ARG HD2 H -9.389 -0.742 -4.273 1.00 . A A . 7 ARG HD2 1 1
7 1067 1 1 7 ARG HD3 H -9.580 -2.503 -4.133 1.00 . A A . 7 ARG HD3 1 1
7 1068 1 1 7 ARG HG2 H -7.082 -1.189 -5.244 1.00 . A A . 7 ARG HG2 1 1
7 1069 1 1 7 ARG HG3 H -8.418 -1.703 -6.272 1.00 . A A . 7 ARG HG3 1 1
7 1070 1 1 7 ARG HH11 H -8.951 0.027 -1.466 1.00 . A A . 7 ARG HH11 1 1
7 1071 1 1 7 ARG HH12 H -9.401 -1.061 -0.196 1.00 . A A . 7 ARG HH12 1 1
7 1072 1 1 7 ARG HH21 H -8.240 -3.883 -1.844 1.00 . A A . 7 ARG HH21 1 1
7 1073 1 1 7 ARG HH22 H -8.999 -3.276 -0.409 1.00 . A A . 7 ARG HH22 1 1
7 1074 1 1 7 ARG N N -5.130 -3.151 -4.375 1.00 . A A . 7 ARG N 1 1
7 1075 1 1 7 ARG NE N -8.010 -1.695 -2.968 1.00 . A A . 7 ARG NE 1 1
7 1076 1 1 7 ARG NH1 N -8.998 -0.901 -1.097 1.00 . A A . 7 ARG NH1 1 1
7 1077 1 1 7 ARG NH2 N -8.596 -3.116 -1.311 1.00 . A A . 7 ARG NH2 1 1
7 1078 1 1 7 ARG O O -5.754 -2.452 -7.881 1.00 . A A . 7 ARG O 1 1
7 1079 1 1 8 GLY C C -4.887 1.102 -6.862 1.00 . A A . 8 GLY C 1 1
7 1080 1 1 8 GLY CA C -4.295 -0.254 -7.258 1.00 . A A . 8 GLY CA 1 1
7 1081 1 1 8 GLY H H -4.481 -1.229 -5.355 1.00 . A A . 8 GLY H 1 1
7 1082 1 1 8 GLY HA2 H -3.216 -0.190 -7.253 1.00 . A A . 8 GLY HA2 1 1
7 1083 1 1 8 GLY HA3 H -4.634 -0.513 -8.249 1.00 . A A . 8 GLY HA3 1 1
7 1084 1 1 8 GLY N N -4.730 -1.305 -6.298 1.00 . A A . 8 GLY N 1 1
7 1085 1 1 8 GLY O O -4.987 1.994 -7.684 1.00 . A A . 8 GLY O 1 1
7 1086 1 1 9 ASP C C -4.775 3.419 -4.488 1.00 . A A . 9 ASP C 1 1
7 1087 1 1 9 ASP CA C -5.846 2.594 -5.199 1.00 . A A . 9 ASP CA 1 1
7 1088 1 1 9 ASP CB C -6.985 2.249 -4.238 1.00 . A A . 9 ASP CB 1 1
7 1089 1 1 9 ASP CG C -8.099 3.290 -4.372 1.00 . A A . 9 ASP CG 1 1
7 1090 1 1 9 ASP H H -5.184 0.552 -4.952 1.00 . A A . 9 ASP H 1 1
7 1091 1 1 9 ASP HA H -6.231 3.127 -6.054 1.00 . A A . 9 ASP HA 1 1
7 1092 1 1 9 ASP HB2 H -7.374 1.271 -4.479 1.00 . A A . 9 ASP HB2 1 1
7 1093 1 1 9 ASP HB3 H -6.614 2.251 -3.226 1.00 . A A . 9 ASP HB3 1 1
7 1094 1 1 9 ASP N N -5.274 1.279 -5.616 1.00 . A A . 9 ASP N 1 1
7 1095 1 1 9 ASP O O -3.821 2.878 -3.976 1.00 . A A . 9 ASP O 1 1
7 1096 1 1 9 ASP OD1 O -8.003 4.317 -3.721 1.00 . A A . 9 ASP OD1 1 1
7 1097 1 1 9 ASP OD2 O -9.027 3.042 -5.124 1.00 . A A . 9 ASP OD2 1 1
7 1098 1 1 10 CYS C C -4.432 7.045 -3.716 1.00 . A A . 10 CYS C 1 1
7 1099 1 1 10 CYS CA C -3.921 5.601 -3.770 1.00 . A A . 10 CYS CA 1 1
7 1100 1 1 10 CYS CB C -2.645 5.516 -4.622 1.00 . A A . 10 CYS CB 1 1
7 1101 1 1 10 CYS H H -5.717 5.124 -4.885 1.00 . A A . 10 CYS H 1 1
7 1102 1 1 10 CYS HA H -3.730 5.246 -2.776 1.00 . A A . 10 CYS HA 1 1
7 1103 1 1 10 CYS HB2 H -2.888 5.097 -5.586 1.00 . A A . 10 CYS HB2 1 1
7 1104 1 1 10 CYS HB3 H -2.238 6.508 -4.757 1.00 . A A . 10 CYS HB3 1 1
7 1105 1 1 10 CYS N N -4.930 4.722 -4.456 1.00 . A A . 10 CYS N 1 1
7 1106 1 1 10 CYS O O -3.660 7.985 -3.689 1.00 . A A . 10 CYS O 1 1
7 1107 1 1 10 CYS SG S -1.404 4.464 -3.808 1.00 . A A . 10 CYS SG 1 1
7 1108 1 1 11 TYR C C -7.812 8.482 -3.388 1.00 . A A . 11 TYR C 1 1
7 1109 1 1 11 TYR CA C -6.311 8.591 -3.637 1.00 . A A . 11 TYR CA 1 1
7 1110 1 1 11 TYR CB C -6.023 9.227 -5.004 1.00 . A A . 11 TYR CB 1 1
7 1111 1 1 11 TYR CD1 C -5.850 7.354 -6.685 1.00 . A A . 11 TYR CD1 1 1
7 1112 1 1 11 TYR CD2 C -7.914 8.623 -6.563 1.00 . A A . 11 TYR CD2 1 1
7 1113 1 1 11 TYR CE1 C -6.393 6.570 -7.710 1.00 . A A . 11 TYR CE1 1 1
7 1114 1 1 11 TYR CE2 C -8.456 7.840 -7.589 1.00 . A A . 11 TYR CE2 1 1
7 1115 1 1 11 TYR CG C -6.611 8.380 -6.111 1.00 . A A . 11 TYR CG 1 1
7 1116 1 1 11 TYR CZ C -7.696 6.813 -8.162 1.00 . A A . 11 TYR CZ 1 1
7 1117 1 1 11 TYR H H -6.324 6.448 -3.706 1.00 . A A . 11 TYR H 1 1
7 1118 1 1 11 TYR HA H -5.845 9.165 -2.854 1.00 . A A . 11 TYR HA 1 1
7 1119 1 1 11 TYR HB2 H -6.462 10.214 -5.038 1.00 . A A . 11 TYR HB2 1 1
7 1120 1 1 11 TYR HB3 H -4.955 9.307 -5.143 1.00 . A A . 11 TYR HB3 1 1
7 1121 1 1 11 TYR HD1 H -4.846 7.167 -6.336 1.00 . A A . 11 TYR HD1 1 1
7 1122 1 1 11 TYR HD2 H -8.500 9.415 -6.121 1.00 . A A . 11 TYR HD2 1 1
7 1123 1 1 11 TYR HE1 H -5.806 5.779 -8.152 1.00 . A A . 11 TYR HE1 1 1
7 1124 1 1 11 TYR HE2 H -9.461 8.027 -7.938 1.00 . A A . 11 TYR HE2 1 1
7 1125 1 1 11 TYR HH H -8.899 5.469 -8.788 1.00 . A A . 11 TYR HH 1 1
7 1126 1 1 11 TYR N N -5.727 7.221 -3.696 1.00 . A A . 11 TYR N 1 1
7 1127 1 1 11 TYR O O -8.316 7.424 -3.060 1.00 . A A . 11 TYR O 1 1
7 1128 1 1 11 TYR OH O -8.230 6.041 -9.174 1.00 . A A . 11 TYR OH 1 1
7 1129 1 1 12 CYS C C -10.730 9.513 -4.679 1.00 . A A . 12 CYS C 1 1
7 1130 1 1 12 CYS CA C -10.003 9.511 -3.330 1.00 . A A . 12 CYS CA 1 1
7 1131 1 1 12 CYS CB C -10.336 10.780 -2.531 1.00 . A A . 12 CYS CB 1 1
7 1132 1 1 12 CYS H H -8.098 10.396 -3.821 1.00 . A A . 12 CYS H 1 1
7 1133 1 1 12 CYS HA H -10.260 8.626 -2.767 1.00 . A A . 12 CYS HA 1 1
7 1134 1 1 12 CYS HB2 H -9.455 11.400 -2.456 1.00 . A A . 12 CYS HB2 1 1
7 1135 1 1 12 CYS HB3 H -11.117 11.330 -3.036 1.00 . A A . 12 CYS HB3 1 1
7 1136 1 1 12 CYS N N -8.529 9.560 -3.550 1.00 . A A . 12 CYS N 1 1
7 1137 1 1 12 CYS O O -10.664 10.474 -5.422 1.00 . A A . 12 CYS O 1 1
7 1138 1 1 12 CYS SG S -10.896 10.339 -0.865 1.00 . A A . 12 CYS SG 1 1
7 1139 1 1 13 NH2 HN1 H -11.482 7.692 -4.434 1.00 . A A . 13 NH2 HN1 1 1
7 1140 1 1 13 NH2 HN2 H -11.895 8.457 -5.891 1.00 . A A . 13 NH2 HN2 1 1
7 1141 1 1 13 NH2 N N -11.427 8.467 -5.031 1.00 . A A . 13 NH2 N 1 1
8 1142 1 1 1 ACE C C -10.103 4.878 -1.168 1.00 . A A . 1 ACE C 1 1
8 1143 1 1 1 ACE CH3 C -10.932 3.610 -0.952 1.00 . A A . 1 ACE CH3 1 1
8 1144 1 1 1 ACE H1 H -10.914 3.010 -1.849 1.00 . A A . 1 ACE H1 1 1
8 1145 1 1 1 ACE H2 H -11.951 3.882 -0.720 1.00 . A A . 1 ACE H2 1 1
8 1146 1 1 1 ACE H3 H -10.514 3.043 -0.132 1.00 . A A . 1 ACE H3 1 1
8 1147 1 1 1 ACE O O -9.607 5.128 -2.251 1.00 . A A . 1 ACE O 1 1
8 1148 1 1 2 CYS C C -7.762 6.736 0.315 1.00 . A A . 2 CYS C 1 1
8 1149 1 1 2 CYS CA C -9.155 6.936 -0.280 1.00 . A A . 2 CYS CA 1 1
8 1150 1 1 2 CYS CB C -9.939 7.989 0.506 1.00 . A A . 2 CYS CB 1 1
8 1151 1 1 2 CYS H H -10.362 5.453 0.716 1.00 . A A . 2 CYS H 1 1
8 1152 1 1 2 CYS HA H -9.082 7.221 -1.314 1.00 . A A . 2 CYS HA 1 1
8 1153 1 1 2 CYS HB2 H -10.070 7.655 1.524 1.00 . A A . 2 CYS HB2 1 1
8 1154 1 1 2 CYS HB3 H -9.396 8.921 0.501 1.00 . A A . 2 CYS HB3 1 1
8 1155 1 1 2 CYS N N -9.951 5.679 -0.143 1.00 . A A . 2 CYS N 1 1
8 1156 1 1 2 CYS O O -7.253 7.570 1.039 1.00 . A A . 2 CYS O 1 1
8 1157 1 1 2 CYS SG S -11.562 8.228 -0.264 1.00 . A A . 2 CYS SG 1 1
8 1158 1 1 3 TYR C C -4.988 4.522 -0.487 1.00 . A A . 3 TYR C 1 1
8 1159 1 1 3 TYR CA C -5.785 5.333 0.533 1.00 . A A . 3 TYR CA 1 1
8 1160 1 1 3 TYR CB C -6.017 4.520 1.806 1.00 . A A . 3 TYR CB 1 1
8 1161 1 1 3 TYR CD1 C -5.572 6.364 3.468 1.00 . A A . 3 TYR CD1 1 1
8 1162 1 1 3 TYR CD2 C -7.782 5.367 3.393 1.00 . A A . 3 TYR CD2 1 1
8 1163 1 1 3 TYR CE1 C -5.992 7.216 4.496 1.00 . A A . 3 TYR CE1 1 1
8 1164 1 1 3 TYR CE2 C -8.201 6.219 4.422 1.00 . A A . 3 TYR CE2 1 1
8 1165 1 1 3 TYR CG C -6.468 5.439 2.916 1.00 . A A . 3 TYR CG 1 1
8 1166 1 1 3 TYR CZ C -7.306 7.144 4.974 1.00 . A A . 3 TYR CZ 1 1
8 1167 1 1 3 TYR H H -7.592 4.986 -0.588 1.00 . A A . 3 TYR H 1 1
8 1168 1 1 3 TYR HA H -5.267 6.246 0.768 1.00 . A A . 3 TYR HA 1 1
8 1169 1 1 3 TYR HB2 H -6.776 3.775 1.624 1.00 . A A . 3 TYR HB2 1 1
8 1170 1 1 3 TYR HB3 H -5.097 4.033 2.095 1.00 . A A . 3 TYR HB3 1 1
8 1171 1 1 3 TYR HD1 H -4.559 6.420 3.099 1.00 . A A . 3 TYR HD1 1 1
8 1172 1 1 3 TYR HD2 H -8.473 4.654 2.968 1.00 . A A . 3 TYR HD2 1 1
8 1173 1 1 3 TYR HE1 H -5.301 7.929 4.922 1.00 . A A . 3 TYR HE1 1 1
8 1174 1 1 3 TYR HE2 H -9.215 6.164 4.791 1.00 . A A . 3 TYR HE2 1 1
8 1175 1 1 3 TYR HH H -8.158 8.738 5.588 1.00 . A A . 3 TYR HH 1 1
8 1176 1 1 3 TYR N N -7.150 5.627 0.005 1.00 . A A . 3 TYR N 1 1
8 1177 1 1 3 TYR O O -5.485 4.178 -1.542 1.00 . A A . 3 TYR O 1 1
8 1178 1 1 3 TYR OH O -7.719 7.983 5.987 1.00 . A A . 3 TYR OH 1 1
8 1179 1 1 4 CYS C C -3.084 1.918 -0.797 1.00 . A A . 4 CYS C 1 1
8 1180 1 1 4 CYS CA C -2.930 3.402 -1.114 1.00 . A A . 4 CYS CA 1 1
8 1181 1 1 4 CYS CB C -1.494 3.885 -0.911 1.00 . A A . 4 CYS CB 1 1
8 1182 1 1 4 CYS H H -3.385 4.487 0.690 1.00 . A A . 4 CYS H 1 1
8 1183 1 1 4 CYS HA H -3.237 3.585 -2.121 1.00 . A A . 4 CYS HA 1 1
8 1184 1 1 4 CYS HB2 H -1.366 4.220 0.108 1.00 . A A . 4 CYS HB2 1 1
8 1185 1 1 4 CYS HB3 H -0.807 3.077 -1.116 1.00 . A A . 4 CYS HB3 1 1
8 1186 1 1 4 CYS N N -3.758 4.204 -0.171 1.00 . A A . 4 CYS N 1 1
8 1187 1 1 4 CYS O O -2.266 1.316 -0.128 1.00 . A A . 4 CYS O 1 1
8 1188 1 1 4 CYS SG S -1.169 5.260 -2.049 1.00 . A A . 4 CYS SG 1 1
8 1189 1 1 5 SER C C -3.548 -1.001 -1.905 1.00 . A A . 5 SER C 1 1
8 1190 1 1 5 SER CA C -4.415 -0.110 -1.014 1.00 . A A . 5 SER CA 1 1
8 1191 1 1 5 SER CB C -5.893 -0.307 -1.333 1.00 . A A . 5 SER CB 1 1
8 1192 1 1 5 SER H H -4.795 1.864 -1.798 1.00 . A A . 5 SER H 1 1
8 1193 1 1 5 SER HA H -4.237 -0.337 0.017 1.00 . A A . 5 SER HA 1 1
8 1194 1 1 5 SER HB2 H -6.081 -0.036 -2.357 1.00 . A A . 5 SER HB2 1 1
8 1195 1 1 5 SER HB3 H -6.155 -1.347 -1.183 1.00 . A A . 5 SER HB3 1 1
8 1196 1 1 5 SER HG H -6.647 1.412 -0.827 1.00 . A A . 5 SER HG 1 1
8 1197 1 1 5 SER N N -4.152 1.336 -1.275 1.00 . A A . 5 SER N 1 1
8 1198 1 1 5 SER O O -2.622 -0.539 -2.546 1.00 . A A . 5 SER O 1 1
8 1199 1 1 5 SER OG O -6.673 0.518 -0.478 1.00 . A A . 5 SER OG 1 1
8 1200 1 1 6 LEU C C -3.752 -3.630 -4.047 1.00 . A A . 6 LEU C 1 1
8 1201 1 1 6 LEU CA C -3.020 -3.217 -2.761 1.00 . A A . 6 LEU CA 1 1
8 1202 1 1 6 LEU CB C -2.789 -4.435 -1.865 1.00 . A A . 6 LEU CB 1 1
8 1203 1 1 6 LEU CD1 C -2.950 -3.628 0.494 1.00 . A A . 6 LEU CD1 1 1
8 1204 1 1 6 LEU CD2 C -1.113 -5.185 -0.172 1.00 . A A . 6 LEU CD2 1 1
8 1205 1 1 6 LEU CG C -1.988 -4.016 -0.631 1.00 . A A . 6 LEU CG 1 1
8 1206 1 1 6 LEU H H -4.577 -2.624 -1.393 1.00 . A A . 6 LEU H 1 1
8 1207 1 1 6 LEU HA H -2.076 -2.765 -3.006 1.00 . A A . 6 LEU HA 1 1
8 1208 1 1 6 LEU HB2 H -3.742 -4.841 -1.558 1.00 . A A . 6 LEU HB2 1 1
8 1209 1 1 6 LEU HB3 H -2.237 -5.185 -2.412 1.00 . A A . 6 LEU HB3 1 1
8 1210 1 1 6 LEU HD11 H -3.249 -2.597 0.372 1.00 . A A . 6 LEU HD11 1 1
8 1211 1 1 6 LEU HD12 H -2.456 -3.750 1.447 1.00 . A A . 6 LEU HD12 1 1
8 1212 1 1 6 LEU HD13 H -3.822 -4.263 0.457 1.00 . A A . 6 LEU HD13 1 1
8 1213 1 1 6 LEU HD21 H -1.727 -5.920 0.327 1.00 . A A . 6 LEU HD21 1 1
8 1214 1 1 6 LEU HD22 H -0.358 -4.823 0.510 1.00 . A A . 6 LEU HD22 1 1
8 1215 1 1 6 LEU HD23 H -0.637 -5.636 -1.030 1.00 . A A . 6 LEU HD23 1 1
8 1216 1 1 6 LEU HG H -1.363 -3.171 -0.878 1.00 . A A . 6 LEU HG 1 1
8 1217 1 1 6 LEU N N -3.834 -2.279 -1.932 1.00 . A A . 6 LEU N 1 1
8 1218 1 1 6 LEU O O -3.253 -4.438 -4.808 1.00 . A A . 6 LEU O 1 1
8 1219 1 1 7 ARG C C -5.351 -2.407 -6.657 1.00 . A A . 7 ARG C 1 1
8 1220 1 1 7 ARG CA C -5.645 -3.440 -5.560 1.00 . A A . 7 ARG CA 1 1
8 1221 1 1 7 ARG CB C -7.133 -3.410 -5.204 1.00 . A A . 7 ARG CB 1 1
8 1222 1 1 7 ARG CD C -7.144 -3.709 -2.650 1.00 . A A . 7 ARG CD 1 1
8 1223 1 1 7 ARG CG C -7.433 -4.362 -4.025 1.00 . A A . 7 ARG CG 1 1
8 1224 1 1 7 ARG CZ C -8.823 -1.968 -2.314 1.00 . A A . 7 ARG CZ 1 1
8 1225 1 1 7 ARG H H -5.294 -2.419 -3.695 1.00 . A A . 7 ARG H 1 1
8 1226 1 1 7 ARG HA H -5.364 -4.428 -5.887 1.00 . A A . 7 ARG HA 1 1
8 1227 1 1 7 ARG HB2 H -7.418 -2.403 -4.950 1.00 . A A . 7 ARG HB2 1 1
8 1228 1 1 7 ARG HB3 H -7.704 -3.728 -6.064 1.00 . A A . 7 ARG HB3 1 1
8 1229 1 1 7 ARG HD2 H -7.685 -4.234 -1.876 1.00 . A A . 7 ARG HD2 1 1
8 1230 1 1 7 ARG HD3 H -6.087 -3.730 -2.439 1.00 . A A . 7 ARG HD3 1 1
8 1231 1 1 7 ARG HG2 H -8.473 -4.648 -4.062 1.00 . A A . 7 ARG HG2 1 1
8 1232 1 1 7 ARG HG3 H -6.823 -5.248 -4.127 1.00 . A A . 7 ARG HG3 1 1
8 1233 1 1 7 ARG HH11 H -9.634 -3.760 -2.703 1.00 . A A . 7 ARG HH11 1 1
8 1234 1 1 7 ARG HH12 H -10.709 -2.583 -2.029 1.00 . A A . 7 ARG HH12 1 1
8 1235 1 1 7 ARG HH21 H -8.314 -0.090 -1.839 1.00 . A A . 7 ARG HH21 1 1
8 1236 1 1 7 ARG HH22 H -9.965 -0.517 -1.541 1.00 . A A . 7 ARG HH22 1 1
8 1237 1 1 7 ARG N N -4.912 -3.079 -4.308 1.00 . A A . 7 ARG N 1 1
8 1238 1 1 7 ARG NE N -7.622 -2.293 -2.735 1.00 . A A . 7 ARG NE 1 1
8 1239 1 1 7 ARG NH1 N -9.798 -2.838 -2.352 1.00 . A A . 7 ARG NH1 1 1
8 1240 1 1 7 ARG NH2 N -9.050 -0.764 -1.863 1.00 . A A . 7 ARG NH2 1 1
8 1241 1 1 7 ARG O O -5.720 -2.592 -7.802 1.00 . A A . 7 ARG O 1 1
8 1242 1 1 8 GLY C C -4.970 1.070 -6.919 1.00 . A A . 8 GLY C 1 1
8 1243 1 1 8 GLY CA C -4.379 -0.282 -7.337 1.00 . A A . 8 GLY CA 1 1
8 1244 1 1 8 GLY H H -4.403 -1.191 -5.395 1.00 . A A . 8 GLY H 1 1
8 1245 1 1 8 GLY HA2 H -3.307 -0.191 -7.435 1.00 . A A . 8 GLY HA2 1 1
8 1246 1 1 8 GLY HA3 H -4.801 -0.576 -8.287 1.00 . A A . 8 GLY HA3 1 1
8 1247 1 1 8 GLY N N -4.692 -1.321 -6.318 1.00 . A A . 8 GLY N 1 1
8 1248 1 1 8 GLY O O -5.106 1.961 -7.738 1.00 . A A . 8 GLY O 1 1
8 1249 1 1 9 ASP C C -4.801 3.390 -4.539 1.00 . A A . 9 ASP C 1 1
8 1250 1 1 9 ASP CA C -5.887 2.560 -5.227 1.00 . A A . 9 ASP CA 1 1
8 1251 1 1 9 ASP CB C -7.001 2.207 -4.242 1.00 . A A . 9 ASP CB 1 1
8 1252 1 1 9 ASP CG C -8.153 1.536 -4.994 1.00 . A A . 9 ASP CG 1 1
8 1253 1 1 9 ASP H H -5.200 0.526 -4.995 1.00 . A A . 9 ASP H 1 1
8 1254 1 1 9 ASP HA H -6.293 3.093 -6.072 1.00 . A A . 9 ASP HA 1 1
8 1255 1 1 9 ASP HB2 H -6.618 1.531 -3.491 1.00 . A A . 9 ASP HB2 1 1
8 1256 1 1 9 ASP HB3 H -7.361 3.107 -3.766 1.00 . A A . 9 ASP HB3 1 1
8 1257 1 1 9 ASP N N -5.317 1.248 -5.658 1.00 . A A . 9 ASP N 1 1
8 1258 1 1 9 ASP O O -3.828 2.852 -4.060 1.00 . A A . 9 ASP O 1 1
8 1259 1 1 9 ASP OD1 O -8.015 0.371 -5.332 1.00 . A A . 9 ASP OD1 1 1
8 1260 1 1 9 ASP OD2 O -9.153 2.198 -5.220 1.00 . A A . 9 ASP OD2 1 1
8 1261 1 1 10 CYS C C -4.446 7.017 -3.774 1.00 . A A . 10 CYS C 1 1
8 1262 1 1 10 CYS CA C -3.942 5.572 -3.830 1.00 . A A . 10 CYS CA 1 1
8 1263 1 1 10 CYS CB C -2.677 5.480 -4.701 1.00 . A A . 10 CYS CB 1 1
8 1264 1 1 10 CYS H H -5.766 5.092 -4.896 1.00 . A A . 10 CYS H 1 1
8 1265 1 1 10 CYS HA H -3.735 5.224 -2.836 1.00 . A A . 10 CYS HA 1 1
8 1266 1 1 10 CYS HB2 H -2.934 5.041 -5.653 1.00 . A A . 10 CYS HB2 1 1
8 1267 1 1 10 CYS HB3 H -2.281 6.472 -4.861 1.00 . A A . 10 CYS HB3 1 1
8 1268 1 1 10 CYS N N -4.965 4.691 -4.493 1.00 . A A . 10 CYS N 1 1
8 1269 1 1 10 CYS O O -3.668 7.953 -3.763 1.00 . A A . 10 CYS O 1 1
8 1270 1 1 10 CYS SG S -1.417 4.451 -3.887 1.00 . A A . 10 CYS SG 1 1
8 1271 1 1 11 TYR C C -7.804 8.500 -3.372 1.00 . A A . 11 TYR C 1 1
8 1272 1 1 11 TYR CA C -6.307 8.578 -3.665 1.00 . A A . 11 TYR CA 1 1
8 1273 1 1 11 TYR CB C -6.045 9.204 -5.043 1.00 . A A . 11 TYR CB 1 1
8 1274 1 1 11 TYR CD1 C -8.052 8.505 -6.403 1.00 . A A . 11 TYR CD1 1 1
8 1275 1 1 11 TYR CD2 C -5.914 7.451 -6.853 1.00 . A A . 11 TYR CD2 1 1
8 1276 1 1 11 TYR CE1 C -8.646 7.730 -7.407 1.00 . A A . 11 TYR CE1 1 1
8 1277 1 1 11 TYR CE2 C -6.508 6.675 -7.857 1.00 . A A . 11 TYR CE2 1 1
8 1278 1 1 11 TYR CG C -6.686 8.366 -6.127 1.00 . A A . 11 TYR CG 1 1
8 1279 1 1 11 TYR CZ C -7.874 6.815 -8.133 1.00 . A A . 11 TYR CZ 1 1
8 1280 1 1 11 TYR H H -6.344 6.434 -3.728 1.00 . A A . 11 TYR H 1 1
8 1281 1 1 11 TYR HA H -5.808 9.146 -2.897 1.00 . A A . 11 TYR HA 1 1
8 1282 1 1 11 TYR HB2 H -6.460 10.200 -5.068 1.00 . A A . 11 TYR HB2 1 1
8 1283 1 1 11 TYR HB3 H -4.979 9.256 -5.215 1.00 . A A . 11 TYR HB3 1 1
8 1284 1 1 11 TYR HD1 H -8.647 9.211 -5.844 1.00 . A A . 11 TYR HD1 1 1
8 1285 1 1 11 TYR HD2 H -4.862 7.343 -6.640 1.00 . A A . 11 TYR HD2 1 1
8 1286 1 1 11 TYR HE1 H -9.698 7.838 -7.621 1.00 . A A . 11 TYR HE1 1 1
8 1287 1 1 11 TYR HE2 H -5.913 5.969 -8.417 1.00 . A A . 11 TYR HE2 1 1
8 1288 1 1 11 TYR HH H -8.327 6.499 -9.961 1.00 . A A . 11 TYR HH 1 1
8 1289 1 1 11 TYR N N -5.740 7.202 -3.731 1.00 . A A . 11 TYR N 1 1
8 1290 1 1 11 TYR O O -8.395 7.438 -3.425 1.00 . A A . 11 TYR O 1 1
8 1291 1 1 11 TYR OH O -8.459 6.050 -9.121 1.00 . A A . 11 TYR OH 1 1
8 1292 1 1 12 CYS C C -10.665 10.140 -3.966 1.00 . A A . 12 CYS C 1 1
8 1293 1 1 12 CYS CA C -9.876 9.598 -2.771 1.00 . A A . 12 CYS CA 1 1
8 1294 1 1 12 CYS CB C -10.036 10.515 -1.557 1.00 . A A . 12 CYS CB 1 1
8 1295 1 1 12 CYS H H -7.917 10.454 -3.035 1.00 . A A . 12 CYS H 1 1
8 1296 1 1 12 CYS HA H -10.194 8.597 -2.529 1.00 . A A . 12 CYS HA 1 1
8 1297 1 1 12 CYS HB2 H -9.230 10.335 -0.863 1.00 . A A . 12 CYS HB2 1 1
8 1298 1 1 12 CYS HB3 H -10.004 11.545 -1.881 1.00 . A A . 12 CYS HB3 1 1
8 1299 1 1 12 CYS N N -8.416 9.612 -3.068 1.00 . A A . 12 CYS N 1 1
8 1300 1 1 12 CYS O O -10.494 11.276 -4.364 1.00 . A A . 12 CYS O 1 1
8 1301 1 1 12 CYS SG S -11.621 10.191 -0.742 1.00 . A A . 12 CYS SG 1 1
8 1302 1 1 13 NH2 HN1 H -11.670 8.450 -4.245 1.00 . A A . 13 NH2 HN1 1 1
8 1303 1 1 13 NH2 HN2 H -12.041 9.702 -5.329 1.00 . A A . 13 NH2 HN2 1 1
8 1304 1 1 13 NH2 N N -11.531 9.367 -4.563 1.00 . A A . 13 NH2 N 1 1
9 1305 1 1 1 ACE C C -10.187 5.228 -1.662 1.00 . A A . 1 ACE C 1 1
9 1306 1 1 1 ACE CH3 C -11.183 4.070 -1.753 1.00 . A A . 1 ACE CH3 1 1
9 1307 1 1 1 ACE H1 H -12.100 4.419 -2.204 1.00 . A A . 1 ACE H1 1 1
9 1308 1 1 1 ACE H2 H -11.391 3.695 -0.761 1.00 . A A . 1 ACE H2 1 1
9 1309 1 1 1 ACE H3 H -10.762 3.280 -2.356 1.00 . A A . 1 ACE H3 1 1
9 1310 1 1 1 ACE O O -9.374 5.427 -2.545 1.00 . A A . 1 ACE O 1 1
9 1311 1 1 2 CYS C C -8.063 6.695 0.333 1.00 . A A . 2 CYS C 1 1
9 1312 1 1 2 CYS CA C -9.304 7.142 -0.445 1.00 . A A . 2 CYS CA 1 1
9 1313 1 1 2 CYS CB C -10.086 8.200 0.340 1.00 . A A . 2 CYS CB 1 1
9 1314 1 1 2 CYS H H -10.911 5.810 0.096 1.00 . A A . 2 CYS H 1 1
9 1315 1 1 2 CYS HA H -9.023 7.532 -1.409 1.00 . A A . 2 CYS HA 1 1
9 1316 1 1 2 CYS HB2 H -10.391 7.787 1.291 1.00 . A A . 2 CYS HB2 1 1
9 1317 1 1 2 CYS HB3 H -9.458 9.062 0.509 1.00 . A A . 2 CYS HB3 1 1
9 1318 1 1 2 CYS N N -10.246 5.992 -0.600 1.00 . A A . 2 CYS N 1 1
9 1319 1 1 2 CYS O O -7.663 7.318 1.298 1.00 . A A . 2 CYS O 1 1
9 1320 1 1 2 CYS SG S -11.556 8.697 -0.599 1.00 . A A . 2 CYS SG 1 1
9 1321 1 1 3 TYR C C -5.295 4.452 -0.401 1.00 . A A . 3 TYR C 1 1
9 1322 1 1 3 TYR CA C -6.239 5.105 0.605 1.00 . A A . 3 TYR CA 1 1
9 1323 1 1 3 TYR CB C -6.754 4.074 1.617 1.00 . A A . 3 TYR CB 1 1
9 1324 1 1 3 TYR CD1 C -5.462 5.125 3.511 1.00 . A A . 3 TYR CD1 1 1
9 1325 1 1 3 TYR CD2 C -7.830 4.700 3.810 1.00 . A A . 3 TYR CD2 1 1
9 1326 1 1 3 TYR CE1 C -5.394 5.657 4.805 1.00 . A A . 3 TYR CE1 1 1
9 1327 1 1 3 TYR CE2 C -7.763 5.231 5.103 1.00 . A A . 3 TYR CE2 1 1
9 1328 1 1 3 TYR CG C -6.680 4.647 3.014 1.00 . A A . 3 TYR CG 1 1
9 1329 1 1 3 TYR CZ C -6.544 5.710 5.601 1.00 . A A . 3 TYR CZ 1 1
9 1330 1 1 3 TYR H H -7.805 5.147 -0.875 1.00 . A A . 3 TYR H 1 1
9 1331 1 1 3 TYR HA H -5.733 5.903 1.115 1.00 . A A . 3 TYR HA 1 1
9 1332 1 1 3 TYR HB2 H -7.778 3.823 1.385 1.00 . A A . 3 TYR HB2 1 1
9 1333 1 1 3 TYR HB3 H -6.145 3.182 1.564 1.00 . A A . 3 TYR HB3 1 1
9 1334 1 1 3 TYR HD1 H -4.575 5.084 2.896 1.00 . A A . 3 TYR HD1 1 1
9 1335 1 1 3 TYR HD2 H -8.770 4.332 3.426 1.00 . A A . 3 TYR HD2 1 1
9 1336 1 1 3 TYR HE1 H -4.454 6.026 5.188 1.00 . A A . 3 TYR HE1 1 1
9 1337 1 1 3 TYR HE2 H -8.650 5.273 5.717 1.00 . A A . 3 TYR HE2 1 1
9 1338 1 1 3 TYR HH H -6.269 7.167 6.803 1.00 . A A . 3 TYR HH 1 1
9 1339 1 1 3 TYR N N -7.458 5.617 -0.090 1.00 . A A . 3 TYR N 1 1
9 1340 1 1 3 TYR O O -5.577 4.401 -1.584 1.00 . A A . 3 TYR O 1 1
9 1341 1 1 3 TYR OH O -6.478 6.233 6.876 1.00 . A A . 3 TYR OH 1 1
9 1342 1 1 4 CYS C C -3.290 1.780 -0.733 1.00 . A A . 4 CYS C 1 1
9 1343 1 1 4 CYS CA C -3.217 3.293 -0.867 1.00 . A A . 4 CYS CA 1 1
9 1344 1 1 4 CYS CB C -1.831 3.819 -0.474 1.00 . A A . 4 CYS CB 1 1
9 1345 1 1 4 CYS H H -3.978 4.000 1.020 1.00 . A A . 4 CYS H 1 1
9 1346 1 1 4 CYS HA H -3.442 3.565 -1.876 1.00 . A A . 4 CYS HA 1 1
9 1347 1 1 4 CYS HB2 H -1.880 4.255 0.513 1.00 . A A . 4 CYS HB2 1 1
9 1348 1 1 4 CYS HB3 H -1.126 3.001 -0.470 1.00 . A A . 4 CYS HB3 1 1
9 1349 1 1 4 CYS N N -4.179 3.948 0.062 1.00 . A A . 4 CYS N 1 1
9 1350 1 1 4 CYS O O -2.426 1.153 -0.147 1.00 . A A . 4 CYS O 1 1
9 1351 1 1 4 CYS SG S -1.282 5.082 -1.661 1.00 . A A . 4 CYS SG 1 1
9 1352 1 1 5 SER C C -3.459 -0.904 -2.233 1.00 . A A . 5 SER C 1 1
9 1353 1 1 5 SER CA C -4.439 -0.291 -1.240 1.00 . A A . 5 SER CA 1 1
9 1354 1 1 5 SER CB C -5.883 -0.602 -1.640 1.00 . A A . 5 SER CB 1 1
9 1355 1 1 5 SER H H -4.980 1.728 -1.775 1.00 . A A . 5 SER H 1 1
9 1356 1 1 5 SER HA H -4.242 -0.647 -0.250 1.00 . A A . 5 SER HA 1 1
9 1357 1 1 5 SER HB2 H -6.009 -1.667 -1.738 1.00 . A A . 5 SER HB2 1 1
9 1358 1 1 5 SER HB3 H -6.554 -0.232 -0.874 1.00 . A A . 5 SER HB3 1 1
9 1359 1 1 5 SER HG H -5.472 -0.193 -3.499 1.00 . A A . 5 SER HG 1 1
9 1360 1 1 5 SER N N -4.309 1.191 -1.300 1.00 . A A . 5 SER N 1 1
9 1361 1 1 5 SER O O -3.058 -0.261 -3.187 1.00 . A A . 5 SER O 1 1
9 1362 1 1 5 SER OG O -6.177 0.019 -2.883 1.00 . A A . 5 SER OG 1 1
9 1363 1 1 6 LEU C C -2.791 -3.528 -4.053 1.00 . A A . 6 LEU C 1 1
9 1364 1 1 6 LEU CA C -2.076 -2.756 -2.948 1.00 . A A . 6 LEU CA 1 1
9 1365 1 1 6 LEU CB C -1.235 -3.695 -2.081 1.00 . A A . 6 LEU CB 1 1
9 1366 1 1 6 LEU CD1 C 0.317 -3.779 -0.121 1.00 . A A . 6 LEU CD1 1 1
9 1367 1 1 6 LEU CD2 C 0.802 -2.247 -2.033 1.00 . A A . 6 LEU CD2 1 1
9 1368 1 1 6 LEU CG C -0.307 -2.872 -1.184 1.00 . A A . 6 LEU CG 1 1
9 1369 1 1 6 LEU H H -3.376 -2.619 -1.233 1.00 . A A . 6 LEU H 1 1
9 1370 1 1 6 LEU HA H -1.449 -1.998 -3.383 1.00 . A A . 6 LEU HA 1 1
9 1371 1 1 6 LEU HB2 H -1.888 -4.300 -1.468 1.00 . A A . 6 LEU HB2 1 1
9 1372 1 1 6 LEU HB3 H -0.642 -4.336 -2.716 1.00 . A A . 6 LEU HB3 1 1
9 1373 1 1 6 LEU HD11 H 1.193 -4.262 -0.528 1.00 . A A . 6 LEU HD11 1 1
9 1374 1 1 6 LEU HD12 H -0.401 -4.528 0.181 1.00 . A A . 6 LEU HD12 1 1
9 1375 1 1 6 LEU HD13 H 0.600 -3.186 0.737 1.00 . A A . 6 LEU HD13 1 1
9 1376 1 1 6 LEU HD21 H 0.422 -1.367 -2.532 1.00 . A A . 6 LEU HD21 1 1
9 1377 1 1 6 LEU HD22 H 1.138 -2.961 -2.770 1.00 . A A . 6 LEU HD22 1 1
9 1378 1 1 6 LEU HD23 H 1.630 -1.969 -1.397 1.00 . A A . 6 LEU HD23 1 1
9 1379 1 1 6 LEU HG H -0.877 -2.091 -0.700 1.00 . A A . 6 LEU HG 1 1
9 1380 1 1 6 LEU N N -3.052 -2.125 -2.015 1.00 . A A . 6 LEU N 1 1
9 1381 1 1 6 LEU O O -2.375 -4.610 -4.428 1.00 . A A . 6 LEU O 1 1
9 1382 1 1 7 ARG C C -5.296 -2.686 -6.613 1.00 . A A . 7 ARG C 1 1
9 1383 1 1 7 ARG CA C -4.571 -3.679 -5.687 1.00 . A A . 7 ARG CA 1 1
9 1384 1 1 7 ARG CB C -5.556 -4.640 -5.001 1.00 . A A . 7 ARG CB 1 1
9 1385 1 1 7 ARG CD C -7.624 -3.248 -4.805 1.00 . A A . 7 ARG CD 1 1
9 1386 1 1 7 ARG CG C -6.468 -3.884 -4.032 1.00 . A A . 7 ARG CG 1 1
9 1387 1 1 7 ARG CZ C -8.322 -0.940 -4.889 1.00 . A A . 7 ARG CZ 1 1
9 1388 1 1 7 ARG H H -4.157 -2.104 -4.278 1.00 . A A . 7 ARG H 1 1
9 1389 1 1 7 ARG HA H -3.865 -4.254 -6.266 1.00 . A A . 7 ARG HA 1 1
9 1390 1 1 7 ARG HB2 H -6.161 -5.124 -5.753 1.00 . A A . 7 ARG HB2 1 1
9 1391 1 1 7 ARG HB3 H -5.000 -5.389 -4.455 1.00 . A A . 7 ARG HB3 1 1
9 1392 1 1 7 ARG HD2 H -7.648 -3.615 -5.823 1.00 . A A . 7 ARG HD2 1 1
9 1393 1 1 7 ARG HD3 H -8.562 -3.447 -4.310 1.00 . A A . 7 ARG HD3 1 1
9 1394 1 1 7 ARG HG2 H -6.863 -4.576 -3.302 1.00 . A A . 7 ARG HG2 1 1
9 1395 1 1 7 ARG HG3 H -5.904 -3.115 -3.527 1.00 . A A . 7 ARG HG3 1 1
9 1396 1 1 7 ARG HH11 H -8.250 -0.864 -6.887 1.00 . A A . 7 ARG HH11 1 1
9 1397 1 1 7 ARG HH12 H -9.461 0.126 -6.143 1.00 . A A . 7 ARG HH12 1 1
9 1398 1 1 7 ARG HH21 H -8.634 -0.825 -2.914 1.00 . A A . 7 ARG HH21 1 1
9 1399 1 1 7 ARG HH22 H -9.680 0.146 -3.895 1.00 . A A . 7 ARG HH22 1 1
9 1400 1 1 7 ARG N N -3.849 -2.977 -4.589 1.00 . A A . 7 ARG N 1 1
9 1401 1 1 7 ARG NE N -7.339 -1.791 -4.783 1.00 . A A . 7 ARG NE 1 1
9 1402 1 1 7 ARG NH1 N -8.708 -0.528 -6.065 1.00 . A A . 7 ARG NH1 1 1
9 1403 1 1 7 ARG NH2 N -8.926 -0.506 -3.815 1.00 . A A . 7 ARG NH2 1 1
9 1404 1 1 7 ARG O O -6.107 -3.092 -7.426 1.00 . A A . 7 ARG O 1 1
9 1405 1 1 8 GLY C C -6.059 0.897 -6.832 1.00 . A A . 8 GLY C 1 1
9 1406 1 1 8 GLY CA C -5.652 -0.441 -7.485 1.00 . A A . 8 GLY CA 1 1
9 1407 1 1 8 GLY H H -4.309 -1.082 -5.916 1.00 . A A . 8 GLY H 1 1
9 1408 1 1 8 GLY HA2 H -4.973 -0.232 -8.297 1.00 . A A . 8 GLY HA2 1 1
9 1409 1 1 8 GLY HA3 H -6.536 -0.912 -7.889 1.00 . A A . 8 GLY HA3 1 1
9 1410 1 1 8 GLY N N -4.988 -1.399 -6.544 1.00 . A A . 8 GLY N 1 1
9 1411 1 1 8 GLY O O -6.858 1.615 -7.407 1.00 . A A . 8 GLY O 1 1
9 1412 1 1 9 ASP C C -4.825 3.324 -4.384 1.00 . A A . 9 ASP C 1 1
9 1413 1 1 9 ASP CA C -5.973 2.595 -5.094 1.00 . A A . 9 ASP CA 1 1
9 1414 1 1 9 ASP CB C -7.085 2.268 -4.096 1.00 . A A . 9 ASP CB 1 1
9 1415 1 1 9 ASP CG C -8.229 3.275 -4.247 1.00 . A A . 9 ASP CG 1 1
9 1416 1 1 9 ASP H H -4.894 0.701 -5.197 1.00 . A A . 9 ASP H 1 1
9 1417 1 1 9 ASP HA H -6.368 3.221 -5.879 1.00 . A A . 9 ASP HA 1 1
9 1418 1 1 9 ASP HB2 H -7.454 1.275 -4.286 1.00 . A A . 9 ASP HB2 1 1
9 1419 1 1 9 ASP HB3 H -6.695 2.320 -3.091 1.00 . A A . 9 ASP HB3 1 1
9 1420 1 1 9 ASP N N -5.545 1.270 -5.673 1.00 . A A . 9 ASP N 1 1
9 1421 1 1 9 ASP O O -3.910 2.718 -3.867 1.00 . A A . 9 ASP O 1 1
9 1422 1 1 9 ASP OD1 O -7.941 4.454 -4.370 1.00 . A A . 9 ASP OD1 1 1
9 1423 1 1 9 ASP OD2 O -9.372 2.848 -4.237 1.00 . A A . 9 ASP OD2 1 1
9 1424 1 1 10 CYS C C -4.242 6.941 -3.682 1.00 . A A . 10 CYS C 1 1
9 1425 1 1 10 CYS CA C -3.852 5.461 -3.659 1.00 . A A . 10 CYS CA 1 1
9 1426 1 1 10 CYS CB C -2.544 5.233 -4.435 1.00 . A A . 10 CYS CB 1 1
9 1427 1 1 10 CYS H H -5.667 5.083 -4.769 1.00 . A A . 10 CYS H 1 1
9 1428 1 1 10 CYS HA H -3.743 5.143 -2.644 1.00 . A A . 10 CYS HA 1 1
9 1429 1 1 10 CYS HB2 H -2.766 4.750 -5.375 1.00 . A A . 10 CYS HB2 1 1
9 1430 1 1 10 CYS HB3 H -2.070 6.185 -4.627 1.00 . A A . 10 CYS HB3 1 1
9 1431 1 1 10 CYS N N -4.901 4.636 -4.348 1.00 . A A . 10 CYS N 1 1
9 1432 1 1 10 CYS O O -3.398 7.816 -3.697 1.00 . A A . 10 CYS O 1 1
9 1433 1 1 10 CYS SG S -1.416 4.182 -3.471 1.00 . A A . 10 CYS SG 1 1
9 1434 1 1 11 TYR C C -7.492 8.680 -3.408 1.00 . A A . 11 TYR C 1 1
9 1435 1 1 11 TYR CA C -5.987 8.639 -3.667 1.00 . A A . 11 TYR CA 1 1
9 1436 1 1 11 TYR CB C -5.651 9.195 -5.058 1.00 . A A . 11 TYR CB 1 1
9 1437 1 1 11 TYR CD1 C -7.660 8.546 -6.440 1.00 . A A . 11 TYR CD1 1 1
9 1438 1 1 11 TYR CD2 C -5.564 7.383 -6.810 1.00 . A A . 11 TYR CD2 1 1
9 1439 1 1 11 TYR CE1 C -8.266 7.766 -7.433 1.00 . A A . 11 TYR CE1 1 1
9 1440 1 1 11 TYR CE2 C -6.170 6.605 -7.802 1.00 . A A . 11 TYR CE2 1 1
9 1441 1 1 11 TYR CG C -6.308 8.353 -6.129 1.00 . A A . 11 TYR CG 1 1
9 1442 1 1 11 TYR CZ C -7.521 6.796 -8.114 1.00 . A A . 11 TYR CZ 1 1
9 1443 1 1 11 TYR H H -6.178 6.502 -3.636 1.00 . A A . 11 TYR H 1 1
9 1444 1 1 11 TYR HA H -5.466 9.197 -2.908 1.00 . A A . 11 TYR HA 1 1
9 1445 1 1 11 TYR HB2 H -6.007 10.212 -5.131 1.00 . A A . 11 TYR HB2 1 1
9 1446 1 1 11 TYR HB3 H -4.580 9.181 -5.198 1.00 . A A . 11 TYR HB3 1 1
9 1447 1 1 11 TYR HD1 H -8.234 9.294 -5.915 1.00 . A A . 11 TYR HD1 1 1
9 1448 1 1 11 TYR HD2 H -4.522 7.236 -6.569 1.00 . A A . 11 TYR HD2 1 1
9 1449 1 1 11 TYR HE1 H -9.309 7.914 -7.674 1.00 . A A . 11 TYR HE1 1 1
9 1450 1 1 11 TYR HE2 H -5.594 5.856 -8.327 1.00 . A A . 11 TYR HE2 1 1
9 1451 1 1 11 TYR HH H -7.721 6.259 -9.936 1.00 . A A . 11 TYR HH 1 1
9 1452 1 1 11 TYR N N -5.520 7.224 -3.667 1.00 . A A . 11 TYR N 1 1
9 1453 1 1 11 TYR O O -8.164 7.668 -3.466 1.00 . A A . 11 TYR O 1 1
9 1454 1 1 11 TYR OH O -8.119 6.029 -9.093 1.00 . A A . 11 TYR OH 1 1
9 1455 1 1 12 CYS C C -10.187 10.637 -4.040 1.00 . A A . 12 CYS C 1 1
9 1456 1 1 12 CYS CA C -9.488 9.942 -2.867 1.00 . A A . 12 CYS CA 1 1
9 1457 1 1 12 CYS CB C -9.604 10.782 -1.595 1.00 . A A . 12 CYS CB 1 1
9 1458 1 1 12 CYS H H -7.463 10.642 -3.089 1.00 . A A . 12 CYS H 1 1
9 1459 1 1 12 CYS HA H -9.905 8.961 -2.704 1.00 . A A . 12 CYS HA 1 1
9 1460 1 1 12 CYS HB2 H -8.907 10.415 -0.856 1.00 . A A . 12 CYS HB2 1 1
9 1461 1 1 12 CYS HB3 H -9.375 11.813 -1.823 1.00 . A A . 12 CYS HB3 1 1
9 1462 1 1 12 CYS N N -8.025 9.840 -3.128 1.00 . A A . 12 CYS N 1 1
9 1463 1 1 12 CYS O O -10.093 11.838 -4.199 1.00 . A A . 12 CYS O 1 1
9 1464 1 1 12 CYS SG S -11.289 10.669 -0.944 1.00 . A A . 12 CYS SG 1 1
9 1465 1 1 13 NH2 HN1 H -10.965 8.955 -4.752 1.00 . A A . 13 NH2 HN1 1 1
9 1466 1 1 13 NH2 HN2 H -11.337 10.356 -5.634 1.00 . A A . 13 NH2 HN2 1 1
9 1467 1 1 13 NH2 N N -10.888 9.924 -4.879 1.00 . A A . 13 NH2 N 1 1
10 1468 1 1 1 ACE C C -10.235 5.402 -0.689 1.00 . A A . 1 ACE C 1 1
10 1469 1 1 1 ACE CH3 C -11.312 4.343 -0.438 1.00 . A A . 1 ACE CH3 1 1
10 1470 1 1 1 ACE H1 H -10.876 3.360 -0.527 1.00 . A A . 1 ACE H1 1 1
10 1471 1 1 1 ACE H2 H -12.102 4.454 -1.166 1.00 . A A . 1 ACE H2 1 1
10 1472 1 1 1 ACE H3 H -11.715 4.470 0.555 1.00 . A A . 1 ACE H3 1 1
10 1473 1 1 1 ACE O O -9.658 5.470 -1.758 1.00 . A A . 1 ACE O 1 1
10 1474 1 1 2 CYS C C -7.599 6.824 0.725 1.00 . A A . 2 CYS C 1 1
10 1475 1 1 2 CYS CA C -8.927 7.287 0.120 1.00 . A A . 2 CYS CA 1 1
10 1476 1 1 2 CYS CB C -9.474 8.498 0.881 1.00 . A A . 2 CYS CB 1 1
10 1477 1 1 2 CYS H H -10.446 6.149 1.140 1.00 . A A . 2 CYS H 1 1
10 1478 1 1 2 CYS HA H -8.803 7.528 -0.923 1.00 . A A . 2 CYS HA 1 1
10 1479 1 1 2 CYS HB2 H -10.543 8.396 0.996 1.00 . A A . 2 CYS HB2 1 1
10 1480 1 1 2 CYS HB3 H -9.012 8.548 1.856 1.00 . A A . 2 CYS HB3 1 1
10 1481 1 1 2 CYS N N -9.965 6.227 0.290 1.00 . A A . 2 CYS N 1 1
10 1482 1 1 2 CYS O O -7.022 7.492 1.564 1.00 . A A . 2 CYS O 1 1
10 1483 1 1 2 CYS SG S -9.109 10.016 -0.038 1.00 . A A . 2 CYS SG 1 1
10 1484 1 1 3 TYR C C -5.043 4.406 -0.211 1.00 . A A . 3 TYR C 1 1
10 1485 1 1 3 TYR CA C -5.823 5.167 0.857 1.00 . A A . 3 TYR CA 1 1
10 1486 1 1 3 TYR CB C -6.225 4.233 1.999 1.00 . A A . 3 TYR CB 1 1
10 1487 1 1 3 TYR CD1 C -5.360 5.702 3.855 1.00 . A A . 3 TYR CD1 1 1
10 1488 1 1 3 TYR CD2 C -7.717 5.129 3.823 1.00 . A A . 3 TYR CD2 1 1
10 1489 1 1 3 TYR CE1 C -5.559 6.453 5.021 1.00 . A A . 3 TYR CE1 1 1
10 1490 1 1 3 TYR CE2 C -7.915 5.879 4.989 1.00 . A A . 3 TYR CE2 1 1
10 1491 1 1 3 TYR CG C -6.439 5.040 3.256 1.00 . A A . 3 TYR CG 1 1
10 1492 1 1 3 TYR CZ C -6.837 6.540 5.588 1.00 . A A . 3 TYR CZ 1 1
10 1493 1 1 3 TYR H H -7.598 5.165 -0.370 1.00 . A A . 3 TYR H 1 1
10 1494 1 1 3 TYR HA H -5.231 5.977 1.238 1.00 . A A . 3 TYR HA 1 1
10 1495 1 1 3 TYR HB2 H -7.138 3.719 1.740 1.00 . A A . 3 TYR HB2 1 1
10 1496 1 1 3 TYR HB3 H -5.440 3.511 2.166 1.00 . A A . 3 TYR HB3 1 1
10 1497 1 1 3 TYR HD1 H -4.376 5.634 3.419 1.00 . A A . 3 TYR HD1 1 1
10 1498 1 1 3 TYR HD2 H -8.549 4.619 3.361 1.00 . A A . 3 TYR HD2 1 1
10 1499 1 1 3 TYR HE1 H -4.727 6.962 5.483 1.00 . A A . 3 TYR HE1 1 1
10 1500 1 1 3 TYR HE2 H -8.900 5.947 5.425 1.00 . A A . 3 TYR HE2 1 1
10 1501 1 1 3 TYR HH H -7.062 8.208 6.491 1.00 . A A . 3 TYR HH 1 1
10 1502 1 1 3 TYR N N -7.114 5.683 0.307 1.00 . A A . 3 TYR N 1 1
10 1503 1 1 3 TYR O O -5.555 4.104 -1.273 1.00 . A A . 3 TYR O 1 1
10 1504 1 1 3 TYR OH O -7.032 7.280 6.736 1.00 . A A . 3 TYR OH 1 1
10 1505 1 1 4 CYS C C -3.115 1.847 -0.699 1.00 . A A . 4 CYS C 1 1
10 1506 1 1 4 CYS CA C -2.974 3.350 -0.923 1.00 . A A . 4 CYS CA 1 1
10 1507 1 1 4 CYS CB C -1.538 3.819 -0.686 1.00 . A A . 4 CYS CB 1 1
10 1508 1 1 4 CYS H H -3.416 4.351 0.931 1.00 . A A . 4 CYS H 1 1
10 1509 1 1 4 CYS HA H -3.279 3.597 -1.918 1.00 . A A . 4 CYS HA 1 1
10 1510 1 1 4 CYS HB2 H -1.420 4.112 0.348 1.00 . A A . 4 CYS HB2 1 1
10 1511 1 1 4 CYS HB3 H -0.854 3.016 -0.913 1.00 . A A . 4 CYS HB3 1 1
10 1512 1 1 4 CYS N N -3.802 4.094 0.067 1.00 . A A . 4 CYS N 1 1
10 1513 1 1 4 CYS O O -2.272 1.212 -0.094 1.00 . A A . 4 CYS O 1 1
10 1514 1 1 4 CYS SG S -1.185 5.237 -1.761 1.00 . A A . 4 CYS SG 1 1
10 1515 1 1 5 SER C C -3.557 -0.976 -2.006 1.00 . A A . 5 SER C 1 1
10 1516 1 1 5 SER CA C -4.415 -0.184 -1.019 1.00 . A A . 5 SER CA 1 1
10 1517 1 1 5 SER CB C -5.902 -0.399 -1.301 1.00 . A A . 5 SER CB 1 1
10 1518 1 1 5 SER H H -4.847 1.826 -1.667 1.00 . A A . 5 SER H 1 1
10 1519 1 1 5 SER HA H -4.190 -0.480 -0.015 1.00 . A A . 5 SER HA 1 1
10 1520 1 1 5 SER HB2 H -6.073 -1.424 -1.580 1.00 . A A . 5 SER HB2 1 1
10 1521 1 1 5 SER HB3 H -6.473 -0.171 -0.410 1.00 . A A . 5 SER HB3 1 1
10 1522 1 1 5 SER HG H -5.736 0.277 -3.118 1.00 . A A . 5 SER HG 1 1
10 1523 1 1 5 SER N N -4.188 1.281 -1.188 1.00 . A A . 5 SER N 1 1
10 1524 1 1 5 SER O O -2.677 -0.435 -2.650 1.00 . A A . 5 SER O 1 1
10 1525 1 1 5 SER OG O -6.310 0.448 -2.368 1.00 . A A . 5 SER OG 1 1
10 1526 1 1 6 LEU C C -3.765 -3.403 -4.337 1.00 . A A . 6 LEU C 1 1
10 1527 1 1 6 LEU CA C -2.993 -3.099 -3.047 1.00 . A A . 6 LEU CA 1 1
10 1528 1 1 6 LEU CB C -2.718 -4.388 -2.272 1.00 . A A . 6 LEU CB 1 1
10 1529 1 1 6 LEU CD1 C -1.756 -5.099 -0.078 1.00 . A A . 6 LEU CD1 1 1
10 1530 1 1 6 LEU CD2 C -0.243 -4.398 -1.938 1.00 . A A . 6 LEU CD2 1 1
10 1531 1 1 6 LEU CG C -1.593 -4.145 -1.264 1.00 . A A . 6 LEU CG 1 1
10 1532 1 1 6 LEU H H -4.508 -2.667 -1.577 1.00 . A A . 6 LEU H 1 1
10 1533 1 1 6 LEU HA H -2.065 -2.608 -3.278 1.00 . A A . 6 LEU HA 1 1
10 1534 1 1 6 LEU HB2 H -3.612 -4.691 -1.748 1.00 . A A . 6 LEU HB2 1 1
10 1535 1 1 6 LEU HB3 H -2.420 -5.165 -2.959 1.00 . A A . 6 LEU HB3 1 1
10 1536 1 1 6 LEU HD11 H -1.018 -4.865 0.675 1.00 . A A . 6 LEU HD11 1 1
10 1537 1 1 6 LEU HD12 H -1.618 -6.116 -0.413 1.00 . A A . 6 LEU HD12 1 1
10 1538 1 1 6 LEU HD13 H -2.746 -4.988 0.339 1.00 . A A . 6 LEU HD13 1 1
10 1539 1 1 6 LEU HD21 H -0.270 -4.019 -2.949 1.00 . A A . 6 LEU HD21 1 1
10 1540 1 1 6 LEU HD22 H -0.042 -5.458 -1.955 1.00 . A A . 6 LEU HD22 1 1
10 1541 1 1 6 LEU HD23 H 0.535 -3.892 -1.385 1.00 . A A . 6 LEU HD23 1 1
10 1542 1 1 6 LEU HG H -1.638 -3.124 -0.913 1.00 . A A . 6 LEU HG 1 1
10 1543 1 1 6 LEU N N -3.800 -2.258 -2.115 1.00 . A A . 6 LEU N 1 1
10 1544 1 1 6 LEU O O -3.188 -3.852 -5.310 1.00 . A A . 6 LEU O 1 1
10 1545 1 1 7 ARG C C -5.514 -2.391 -6.684 1.00 . A A . 7 ARG C 1 1
10 1546 1 1 7 ARG CA C -5.838 -3.446 -5.602 1.00 . A A . 7 ARG CA 1 1
10 1547 1 1 7 ARG CB C -7.326 -3.458 -5.140 1.00 . A A . 7 ARG CB 1 1
10 1548 1 1 7 ARG CD C -7.869 -0.965 -5.289 1.00 . A A . 7 ARG CD 1 1
10 1549 1 1 7 ARG CG C -8.197 -2.374 -5.823 1.00 . A A . 7 ARG CG 1 1
10 1550 1 1 7 ARG CZ C -8.881 -0.883 -3.087 1.00 . A A . 7 ARG CZ 1 1
10 1551 1 1 7 ARG H H -5.503 -2.799 -3.570 1.00 . A A . 7 ARG H 1 1
10 1552 1 1 7 ARG HA H -5.574 -4.425 -5.974 1.00 . A A . 7 ARG HA 1 1
10 1553 1 1 7 ARG HB2 H -7.746 -4.426 -5.371 1.00 . A A . 7 ARG HB2 1 1
10 1554 1 1 7 ARG HB3 H -7.360 -3.318 -4.071 1.00 . A A . 7 ARG HB3 1 1
10 1555 1 1 7 ARG HD2 H -6.921 -0.627 -5.676 1.00 . A A . 7 ARG HD2 1 1
10 1556 1 1 7 ARG HD3 H -8.649 -0.273 -5.568 1.00 . A A . 7 ARG HD3 1 1
10 1557 1 1 7 ARG HG2 H -8.019 -2.397 -6.887 1.00 . A A . 7 ARG HG2 1 1
10 1558 1 1 7 ARG HG3 H -9.239 -2.588 -5.636 1.00 . A A . 7 ARG HG3 1 1
10 1559 1 1 7 ARG HH11 H -9.538 -2.765 -3.275 1.00 . A A . 7 ARG HH11 1 1
10 1560 1 1 7 ARG HH12 H -10.541 -1.711 -2.335 1.00 . A A . 7 ARG HH12 1 1
10 1561 1 1 7 ARG HH21 H -8.474 1.045 -2.731 1.00 . A A . 7 ARG HH21 1 1
10 1562 1 1 7 ARG HH22 H -9.938 0.445 -2.027 1.00 . A A . 7 ARG HH22 1 1
10 1563 1 1 7 ARG N N -5.054 -3.164 -4.361 1.00 . A A . 7 ARG N 1 1
10 1564 1 1 7 ARG NE N -7.808 -1.080 -3.803 1.00 . A A . 7 ARG NE 1 1
10 1565 1 1 7 ARG NH1 N -9.719 -1.862 -2.883 1.00 . A A . 7 ARG NH1 1 1
10 1566 1 1 7 ARG NH2 N -9.116 0.294 -2.575 1.00 . A A . 7 ARG NH2 1 1
10 1567 1 1 7 ARG O O -5.893 -2.541 -7.831 1.00 . A A . 7 ARG O 1 1
10 1568 1 1 8 GLY C C -5.058 1.056 -6.935 1.00 . A A . 8 GLY C 1 1
10 1569 1 1 8 GLY CA C -4.460 -0.295 -7.338 1.00 . A A . 8 GLY CA 1 1
10 1570 1 1 8 GLY H H -4.507 -1.234 -5.406 1.00 . A A . 8 GLY H 1 1
10 1571 1 1 8 GLY HA2 H -3.385 -0.207 -7.402 1.00 . A A . 8 GLY HA2 1 1
10 1572 1 1 8 GLY HA3 H -4.855 -0.583 -8.301 1.00 . A A . 8 GLY HA3 1 1
10 1573 1 1 8 GLY N N -4.811 -1.337 -6.330 1.00 . A A . 8 GLY N 1 1
10 1574 1 1 8 GLY O O -5.426 1.849 -7.783 1.00 . A A . 8 GLY O 1 1
10 1575 1 1 9 ASP C C -4.671 3.456 -4.460 1.00 . A A . 9 ASP C 1 1
10 1576 1 1 9 ASP CA C -5.726 2.650 -5.222 1.00 . A A . 9 ASP CA 1 1
10 1577 1 1 9 ASP CB C -6.899 2.296 -4.302 1.00 . A A . 9 ASP CB 1 1
10 1578 1 1 9 ASP CG C -8.111 3.164 -4.654 1.00 . A A . 9 ASP CG 1 1
10 1579 1 1 9 ASP H H -4.849 0.686 -4.978 1.00 . A A . 9 ASP H 1 1
10 1580 1 1 9 ASP HA H -6.079 3.205 -6.077 1.00 . A A . 9 ASP HA 1 1
10 1581 1 1 9 ASP HB2 H -7.154 1.256 -4.429 1.00 . A A . 9 ASP HB2 1 1
10 1582 1 1 9 ASP HB3 H -6.620 2.475 -3.275 1.00 . A A . 9 ASP HB3 1 1
10 1583 1 1 9 ASP N N -5.155 1.336 -5.654 1.00 . A A . 9 ASP N 1 1
10 1584 1 1 9 ASP O O -3.738 2.902 -3.924 1.00 . A A . 9 ASP O 1 1
10 1585 1 1 9 ASP OD1 O -8.361 3.347 -5.834 1.00 . A A . 9 ASP OD1 1 1
10 1586 1 1 9 ASP OD2 O -8.767 3.629 -3.737 1.00 . A A . 9 ASP OD2 1 1
10 1587 1 1 10 CYS C C -4.351 7.070 -3.636 1.00 . A A . 10 CYS C 1 1
10 1588 1 1 10 CYS CA C -3.840 5.626 -3.681 1.00 . A A . 10 CYS CA 1 1
10 1589 1 1 10 CYS CB C -2.532 5.546 -4.484 1.00 . A A . 10 CYS CB 1 1
10 1590 1 1 10 CYS H H -5.596 5.169 -4.863 1.00 . A A . 10 CYS H 1 1
10 1591 1 1 10 CYS HA H -3.688 5.261 -2.684 1.00 . A A . 10 CYS HA 1 1
10 1592 1 1 10 CYS HB2 H -2.739 5.135 -5.460 1.00 . A A . 10 CYS HB2 1 1
10 1593 1 1 10 CYS HB3 H -2.119 6.537 -4.595 1.00 . A A . 10 CYS HB3 1 1
10 1594 1 1 10 CYS N N -4.824 4.758 -4.415 1.00 . A A . 10 CYS N 1 1
10 1595 1 1 10 CYS O O -3.581 8.011 -3.585 1.00 . A A . 10 CYS O 1 1
10 1596 1 1 10 CYS SG S -1.327 4.485 -3.633 1.00 . A A . 10 CYS SG 1 1
10 1597 1 1 11 TYR C C -7.745 8.495 -3.405 1.00 . A A . 11 TYR C 1 1
10 1598 1 1 11 TYR CA C -6.237 8.611 -3.604 1.00 . A A . 11 TYR CA 1 1
10 1599 1 1 11 TYR CB C -5.907 9.255 -4.958 1.00 . A A . 11 TYR CB 1 1
10 1600 1 1 11 TYR CD1 C -7.776 8.584 -6.515 1.00 . A A . 11 TYR CD1 1 1
10 1601 1 1 11 TYR CD2 C -5.639 7.456 -6.705 1.00 . A A . 11 TYR CD2 1 1
10 1602 1 1 11 TYR CE1 C -8.282 7.802 -7.560 1.00 . A A . 11 TYR CE1 1 1
10 1603 1 1 11 TYR CE2 C -6.144 6.674 -7.751 1.00 . A A . 11 TYR CE2 1 1
10 1604 1 1 11 TYR CG C -6.455 8.410 -6.087 1.00 . A A . 11 TYR CG 1 1
10 1605 1 1 11 TYR CZ C -7.466 6.847 -8.178 1.00 . A A . 11 TYR CZ 1 1
10 1606 1 1 11 TYR H H -6.240 6.469 -3.678 1.00 . A A . 11 TYR H 1 1
10 1607 1 1 11 TYR HA H -5.799 9.184 -2.803 1.00 . A A . 11 TYR HA 1 1
10 1608 1 1 11 TYR HB2 H -6.349 10.239 -5.003 1.00 . A A . 11 TYR HB2 1 1
10 1609 1 1 11 TYR HB3 H -4.835 9.339 -5.062 1.00 . A A . 11 TYR HB3 1 1
10 1610 1 1 11 TYR HD1 H -8.406 9.321 -6.038 1.00 . A A . 11 TYR HD1 1 1
10 1611 1 1 11 TYR HD2 H -4.619 7.321 -6.376 1.00 . A A . 11 TYR HD2 1 1
10 1612 1 1 11 TYR HE1 H -9.302 7.937 -7.890 1.00 . A A . 11 TYR HE1 1 1
10 1613 1 1 11 TYR HE2 H -5.515 5.938 -8.228 1.00 . A A . 11 TYR HE2 1 1
10 1614 1 1 11 TYR HH H -8.749 5.625 -8.890 1.00 . A A . 11 TYR HH 1 1
10 1615 1 1 11 TYR N N -5.646 7.244 -3.650 1.00 . A A . 11 TYR N 1 1
10 1616 1 1 11 TYR O O -8.253 7.436 -3.083 1.00 . A A . 11 TYR O 1 1
10 1617 1 1 11 TYR OH O -7.964 6.077 -9.210 1.00 . A A . 11 TYR OH 1 1
10 1618 1 1 12 CYS C C -10.623 9.448 -4.807 1.00 . A A . 12 CYS C 1 1
10 1619 1 1 12 CYS CA C -9.943 9.508 -3.435 1.00 . A A . 12 CYS CA 1 1
10 1620 1 1 12 CYS CB C -10.317 10.804 -2.700 1.00 . A A . 12 CYS CB 1 1
10 1621 1 1 12 CYS H H -8.028 10.401 -3.870 1.00 . A A . 12 CYS H 1 1
10 1622 1 1 12 CYS HA H -10.212 8.645 -2.847 1.00 . A A . 12 CYS HA 1 1
10 1623 1 1 12 CYS HB2 H -9.461 11.462 -2.674 1.00 . A A . 12 CYS HB2 1 1
10 1624 1 1 12 CYS HB3 H -11.127 11.292 -3.221 1.00 . A A . 12 CYS HB3 1 1
10 1625 1 1 12 CYS N N -8.462 9.564 -3.603 1.00 . A A . 12 CYS N 1 1
10 1626 1 1 12 CYS O O -10.853 10.464 -5.434 1.00 . A A . 12 CYS O 1 1
10 1627 1 1 12 CYS SG S -10.834 10.430 -1.003 1.00 . A A . 12 CYS SG 1 1
10 1628 1 1 13 NH2 HN1 H -10.770 7.469 -4.800 1.00 . A A . 13 NH2 HN1 1 1
10 1629 1 1 13 NH2 HN2 H -11.391 8.237 -6.180 1.00 . A A . 13 NH2 HN2 1 1
10 1630 1 1 13 NH2 N N -10.956 8.288 -5.304 1.00 . A A . 13 NH2 N 1 1
11 1631 1 1 1 ACE C C -10.266 5.291 -0.329 1.00 . A A . 1 ACE C 1 1
11 1632 1 1 1 ACE CH3 C -11.240 4.224 0.169 1.00 . A A . 1 ACE CH3 1 1
11 1633 1 1 1 ACE H1 H -11.787 4.605 1.019 1.00 . A A . 1 ACE H1 1 1
11 1634 1 1 1 ACE H2 H -10.689 3.343 0.463 1.00 . A A . 1 ACE H2 1 1
11 1635 1 1 1 ACE H3 H -11.932 3.971 -0.620 1.00 . A A . 1 ACE H3 1 1
11 1636 1 1 1 ACE O O -9.889 5.308 -1.487 1.00 . A A . 1 ACE O 1 1
11 1637 1 1 2 CYS C C -7.495 6.914 0.634 1.00 . A A . 2 CYS C 1 1
11 1638 1 1 2 CYS CA C -8.897 7.249 0.125 1.00 . A A . 2 CYS CA 1 1
11 1639 1 1 2 CYS CB C -9.422 8.524 0.786 1.00 . A A . 2 CYS CB 1 1
11 1640 1 1 2 CYS H H -10.170 6.139 1.464 1.00 . A A . 2 CYS H 1 1
11 1641 1 1 2 CYS HA H -8.895 7.360 -0.948 1.00 . A A . 2 CYS HA 1 1
11 1642 1 1 2 CYS HB2 H -10.495 8.459 0.891 1.00 . A A . 2 CYS HB2 1 1
11 1643 1 1 2 CYS HB3 H -8.970 8.637 1.759 1.00 . A A . 2 CYS HB3 1 1
11 1644 1 1 2 CYS N N -9.852 6.179 0.537 1.00 . A A . 2 CYS N 1 1
11 1645 1 1 2 CYS O O -6.865 7.704 1.313 1.00 . A A . 2 CYS O 1 1
11 1646 1 1 2 CYS SG S -9.005 9.952 -0.244 1.00 . A A . 2 CYS SG 1 1
11 1647 1 1 3 TYR C C -4.952 4.478 -0.269 1.00 . A A . 3 TYR C 1 1
11 1648 1 1 3 TYR CA C -5.644 5.346 0.777 1.00 . A A . 3 TYR CA 1 1
11 1649 1 1 3 TYR CB C -5.871 4.555 2.065 1.00 . A A . 3 TYR CB 1 1
11 1650 1 1 3 TYR CD1 C -4.126 5.698 3.475 1.00 . A A . 3 TYR CD1 1 1
11 1651 1 1 3 TYR CD2 C -3.858 3.341 2.975 1.00 . A A . 3 TYR CD2 1 1
11 1652 1 1 3 TYR CE1 C -2.933 5.679 4.205 1.00 . A A . 3 TYR CE1 1 1
11 1653 1 1 3 TYR CE2 C -2.665 3.321 3.706 1.00 . A A . 3 TYR CE2 1 1
11 1654 1 1 3 TYR CG C -4.590 4.529 2.859 1.00 . A A . 3 TYR CG 1 1
11 1655 1 1 3 TYR CZ C -2.202 4.491 4.321 1.00 . A A . 3 TYR CZ 1 1
11 1656 1 1 3 TYR H H -7.536 5.129 -0.238 1.00 . A A . 3 TYR H 1 1
11 1657 1 1 3 TYR HA H -5.050 6.218 0.984 1.00 . A A . 3 TYR HA 1 1
11 1658 1 1 3 TYR HB2 H -6.650 5.028 2.647 1.00 . A A . 3 TYR HB2 1 1
11 1659 1 1 3 TYR HB3 H -6.164 3.545 1.822 1.00 . A A . 3 TYR HB3 1 1
11 1660 1 1 3 TYR HD1 H -4.691 6.614 3.386 1.00 . A A . 3 TYR HD1 1 1
11 1661 1 1 3 TYR HD2 H -4.216 2.439 2.500 1.00 . A A . 3 TYR HD2 1 1
11 1662 1 1 3 TYR HE1 H -2.575 6.581 4.679 1.00 . A A . 3 TYR HE1 1 1
11 1663 1 1 3 TYR HE2 H -2.101 2.404 3.796 1.00 . A A . 3 TYR HE2 1 1
11 1664 1 1 3 TYR HH H -0.304 4.663 4.434 1.00 . A A . 3 TYR HH 1 1
11 1665 1 1 3 TYR N N -7.006 5.744 0.312 1.00 . A A . 3 TYR N 1 1
11 1666 1 1 3 TYR O O -5.558 4.044 -1.231 1.00 . A A . 3 TYR O 1 1
11 1667 1 1 3 TYR OH O -1.024 4.472 5.040 1.00 . A A . 3 TYR OH 1 1
11 1668 1 1 4 CYS C C -3.205 1.902 -0.781 1.00 . A A . 4 CYS C 1 1
11 1669 1 1 4 CYS CA C -2.938 3.379 -1.056 1.00 . A A . 4 CYS CA 1 1
11 1670 1 1 4 CYS CB C -1.465 3.733 -0.851 1.00 . A A . 4 CYS CB 1 1
11 1671 1 1 4 CYS H H -3.223 4.584 0.705 1.00 . A A . 4 CYS H 1 1
11 1672 1 1 4 CYS HA H -3.234 3.621 -2.054 1.00 . A A . 4 CYS HA 1 1
11 1673 1 1 4 CYS HB2 H -1.273 3.884 0.202 1.00 . A A . 4 CYS HB2 1 1
11 1674 1 1 4 CYS HB3 H -0.846 2.929 -1.219 1.00 . A A . 4 CYS HB3 1 1
11 1675 1 1 4 CYS N N -3.683 4.222 -0.081 1.00 . A A . 4 CYS N 1 1
11 1676 1 1 4 CYS O O -2.442 1.231 -0.113 1.00 . A A . 4 CYS O 1 1
11 1677 1 1 4 CYS SG S -1.088 5.255 -1.762 1.00 . A A . 4 CYS SG 1 1
11 1678 1 1 5 SER C C -3.821 -0.939 -1.981 1.00 . A A . 5 SER C 1 1
11 1679 1 1 5 SER CA C -4.654 -0.033 -1.073 1.00 . A A . 5 SER CA 1 1
11 1680 1 1 5 SER CB C -6.139 -0.137 -1.420 1.00 . A A . 5 SER CB 1 1
11 1681 1 1 5 SER H H -4.896 1.976 -1.820 1.00 . A A . 5 SER H 1 1
11 1682 1 1 5 SER HA H -4.501 -0.298 -0.045 1.00 . A A . 5 SER HA 1 1
11 1683 1 1 5 SER HB2 H -6.354 0.474 -2.280 1.00 . A A . 5 SER HB2 1 1
11 1684 1 1 5 SER HB3 H -6.383 -1.168 -1.645 1.00 . A A . 5 SER HB3 1 1
11 1685 1 1 5 SER HG H -7.191 1.215 -0.501 1.00 . A A . 5 SER HG 1 1
11 1686 1 1 5 SER N N -4.300 1.401 -1.293 1.00 . A A . 5 SER N 1 1
11 1687 1 1 5 SER O O -2.879 -0.502 -2.617 1.00 . A A . 5 SER O 1 1
11 1688 1 1 5 SER OG O -6.912 0.316 -0.317 1.00 . A A . 5 SER OG 1 1
11 1689 1 1 6 LEU C C -4.065 -3.409 -4.227 1.00 . A A . 6 LEU C 1 1
11 1690 1 1 6 LEU CA C -3.376 -3.158 -2.878 1.00 . A A . 6 LEU CA 1 1
11 1691 1 1 6 LEU CB C -3.298 -4.453 -2.057 1.00 . A A . 6 LEU CB 1 1
11 1692 1 1 6 LEU CD1 C -4.797 -6.464 -2.156 1.00 . A A . 6 LEU CD1 1 1
11 1693 1 1 6 LEU CD2 C -5.062 -4.807 -0.305 1.00 . A A . 6 LEU CD2 1 1
11 1694 1 1 6 LEU CG C -4.715 -4.980 -1.787 1.00 . A A . 6 LEU CG 1 1
11 1695 1 1 6 LEU H H -4.908 -2.527 -1.496 1.00 . A A . 6 LEU H 1 1
11 1696 1 1 6 LEU HA H -2.393 -2.780 -3.038 1.00 . A A . 6 LEU HA 1 1
11 1697 1 1 6 LEU HB2 H -2.734 -5.191 -2.611 1.00 . A A . 6 LEU HB2 1 1
11 1698 1 1 6 LEU HB3 H -2.802 -4.253 -1.119 1.00 . A A . 6 LEU HB3 1 1
11 1699 1 1 6 LEU HD11 H -4.547 -6.591 -3.198 1.00 . A A . 6 LEU HD11 1 1
11 1700 1 1 6 LEU HD12 H -5.801 -6.823 -1.981 1.00 . A A . 6 LEU HD12 1 1
11 1701 1 1 6 LEU HD13 H -4.104 -7.025 -1.548 1.00 . A A . 6 LEU HD13 1 1
11 1702 1 1 6 LEU HD21 H -4.832 -5.717 0.228 1.00 . A A . 6 LEU HD21 1 1
11 1703 1 1 6 LEU HD22 H -6.115 -4.588 -0.206 1.00 . A A . 6 LEU HD22 1 1
11 1704 1 1 6 LEU HD23 H -4.483 -3.993 0.108 1.00 . A A . 6 LEU HD23 1 1
11 1705 1 1 6 LEU HG H -5.415 -4.422 -2.388 1.00 . A A . 6 LEU HG 1 1
11 1706 1 1 6 LEU N N -4.153 -2.205 -2.030 1.00 . A A . 6 LEU N 1 1
11 1707 1 1 6 LEU O O -3.455 -3.925 -5.146 1.00 . A A . 6 LEU O 1 1
11 1708 1 1 7 ARG C C -5.534 -2.276 -6.722 1.00 . A A . 7 ARG C 1 1
11 1709 1 1 7 ARG CA C -6.025 -3.287 -5.660 1.00 . A A . 7 ARG CA 1 1
11 1710 1 1 7 ARG CB C -7.541 -3.182 -5.319 1.00 . A A . 7 ARG CB 1 1
11 1711 1 1 7 ARG CD C -7.876 -0.655 -5.534 1.00 . A A . 7 ARG CD 1 1
11 1712 1 1 7 ARG CG C -8.269 -2.044 -6.078 1.00 . A A . 7 ARG CG 1 1
11 1713 1 1 7 ARG CZ C -9.030 -0.579 -3.404 1.00 . A A . 7 ARG CZ 1 1
11 1714 1 1 7 ARG H H -5.799 -2.642 -3.610 1.00 . A A . 7 ARG H 1 1
11 1715 1 1 7 ARG HA H -5.810 -4.288 -6.003 1.00 . A A . 7 ARG HA 1 1
11 1716 1 1 7 ARG HB2 H -8.014 -4.117 -5.576 1.00 . A A . 7 ARG HB2 1 1
11 1717 1 1 7 ARG HB3 H -7.650 -3.025 -4.256 1.00 . A A . 7 ARG HB3 1 1
11 1718 1 1 7 ARG HD2 H -6.887 -0.387 -5.868 1.00 . A A . 7 ARG HD2 1 1
11 1719 1 1 7 ARG HD3 H -8.590 0.085 -5.863 1.00 . A A . 7 ARG HD3 1 1
11 1720 1 1 7 ARG HG2 H -8.011 -2.096 -7.125 1.00 . A A . 7 ARG HG2 1 1
11 1721 1 1 7 ARG HG3 H -9.336 -2.175 -5.971 1.00 . A A . 7 ARG HG3 1 1
11 1722 1 1 7 ARG HH11 H -9.382 1.220 -4.209 1.00 . A A . 7 ARG HH11 1 1
11 1723 1 1 7 ARG HH12 H -10.573 0.656 -3.086 1.00 . A A . 7 ARG HH12 1 1
11 1724 1 1 7 ARG HH21 H -8.945 -2.341 -2.458 1.00 . A A . 7 ARG HH21 1 1
11 1725 1 1 7 ARG HH22 H -10.326 -1.360 -2.095 1.00 . A A . 7 ARG HH22 1 1
11 1726 1 1 7 ARG N N -5.321 -3.056 -4.360 1.00 . A A . 7 ARG N 1 1
11 1727 1 1 7 ARG NE N -7.910 -0.757 -4.047 1.00 . A A . 7 ARG NE 1 1
11 1728 1 1 7 ARG NH1 N -9.715 0.517 -3.581 1.00 . A A . 7 ARG NH1 1 1
11 1729 1 1 7 ARG NH2 N -9.468 -1.498 -2.589 1.00 . A A . 7 ARG NH2 1 1
11 1730 1 1 7 ARG O O -5.826 -2.418 -7.895 1.00 . A A . 7 ARG O 1 1
11 1731 1 1 8 GLY C C -4.836 1.119 -6.998 1.00 . A A . 8 GLY C 1 1
11 1732 1 1 8 GLY CA C -4.279 -0.273 -7.312 1.00 . A A . 8 GLY CA 1 1
11 1733 1 1 8 GLY H H -4.554 -1.172 -5.377 1.00 . A A . 8 GLY H 1 1
11 1734 1 1 8 GLY HA2 H -3.200 -0.247 -7.272 1.00 . A A . 8 GLY HA2 1 1
11 1735 1 1 8 GLY HA3 H -4.592 -0.564 -8.304 1.00 . A A . 8 GLY HA3 1 1
11 1736 1 1 8 GLY N N -4.787 -1.268 -6.322 1.00 . A A . 8 GLY N 1 1
11 1737 1 1 8 GLY O O -5.132 1.885 -7.896 1.00 . A A . 8 GLY O 1 1
11 1738 1 1 9 ASP C C -4.472 3.609 -4.595 1.00 . A A . 9 ASP C 1 1
11 1739 1 1 9 ASP CA C -5.511 2.813 -5.386 1.00 . A A . 9 ASP CA 1 1
11 1740 1 1 9 ASP CB C -6.744 2.544 -4.521 1.00 . A A . 9 ASP CB 1 1
11 1741 1 1 9 ASP CG C -7.845 3.548 -4.868 1.00 . A A . 9 ASP CG 1 1
11 1742 1 1 9 ASP H H -4.727 0.829 -5.022 1.00 . A A . 9 ASP H 1 1
11 1743 1 1 9 ASP HA H -5.797 3.347 -6.278 1.00 . A A . 9 ASP HA 1 1
11 1744 1 1 9 ASP HB2 H -7.099 1.542 -4.703 1.00 . A A . 9 ASP HB2 1 1
11 1745 1 1 9 ASP HB3 H -6.482 2.647 -3.478 1.00 . A A . 9 ASP HB3 1 1
11 1746 1 1 9 ASP N N -4.975 1.459 -5.737 1.00 . A A . 9 ASP N 1 1
11 1747 1 1 9 ASP O O -3.501 3.062 -4.125 1.00 . A A . 9 ASP O 1 1
11 1748 1 1 9 ASP OD1 O -8.464 3.382 -5.906 1.00 . A A . 9 ASP OD1 1 1
11 1749 1 1 9 ASP OD2 O -8.051 4.463 -4.089 1.00 . A A . 9 ASP OD2 1 1
11 1750 1 1 10 CYS C C -4.294 7.185 -3.539 1.00 . A A . 10 CYS C 1 1
11 1751 1 1 10 CYS CA C -3.731 5.762 -3.669 1.00 . A A . 10 CYS CA 1 1
11 1752 1 1 10 CYS CB C -2.422 5.780 -4.474 1.00 . A A . 10 CYS CB 1 1
11 1753 1 1 10 CYS H H -5.492 5.295 -4.839 1.00 . A A . 10 CYS H 1 1
11 1754 1 1 10 CYS HA H -3.562 5.348 -2.695 1.00 . A A . 10 CYS HA 1 1
11 1755 1 1 10 CYS HB2 H -2.618 5.435 -5.478 1.00 . A A . 10 CYS HB2 1 1
11 1756 1 1 10 CYS HB3 H -2.042 6.791 -4.516 1.00 . A A . 10 CYS HB3 1 1
11 1757 1 1 10 CYS N N -4.688 4.895 -4.445 1.00 . A A . 10 CYS N 1 1
11 1758 1 1 10 CYS O O -3.558 8.142 -3.387 1.00 . A A . 10 CYS O 1 1
11 1759 1 1 10 CYS SG S -1.174 4.702 -3.706 1.00 . A A . 10 CYS SG 1 1
11 1760 1 1 11 TYR C C -7.733 8.482 -3.329 1.00 . A A . 11 TYR C 1 1
11 1761 1 1 11 TYR CA C -6.227 8.666 -3.469 1.00 . A A . 11 TYR CA 1 1
11 1762 1 1 11 TYR CB C -5.880 9.417 -4.763 1.00 . A A . 11 TYR CB 1 1
11 1763 1 1 11 TYR CD1 C -7.655 8.829 -6.461 1.00 . A A . 11 TYR CD1 1 1
11 1764 1 1 11 TYR CD2 C -5.500 7.727 -6.596 1.00 . A A . 11 TYR CD2 1 1
11 1765 1 1 11 TYR CE1 C -8.093 8.109 -7.579 1.00 . A A . 11 TYR CE1 1 1
11 1766 1 1 11 TYR CE2 C -5.937 7.008 -7.714 1.00 . A A . 11 TYR CE2 1 1
11 1767 1 1 11 TYR CG C -6.358 8.637 -5.969 1.00 . A A . 11 TYR CG 1 1
11 1768 1 1 11 TYR CZ C -7.234 7.199 -8.205 1.00 . A A . 11 TYR CZ 1 1
11 1769 1 1 11 TYR H H -6.163 6.542 -3.702 1.00 . A A . 11 TYR H 1 1
11 1770 1 1 11 TYR HA H -5.834 9.196 -2.617 1.00 . A A . 11 TYR HA 1 1
11 1771 1 1 11 TYR HB2 H -6.360 10.385 -4.752 1.00 . A A . 11 TYR HB2 1 1
11 1772 1 1 11 TYR HB3 H -4.810 9.549 -4.823 1.00 . A A . 11 TYR HB3 1 1
11 1773 1 1 11 TYR HD1 H -8.318 9.531 -5.977 1.00 . A A . 11 TYR HD1 1 1
11 1774 1 1 11 TYR HD2 H -4.500 7.579 -6.216 1.00 . A A . 11 TYR HD2 1 1
11 1775 1 1 11 TYR HE1 H -9.093 8.257 -7.958 1.00 . A A . 11 TYR HE1 1 1
11 1776 1 1 11 TYR HE2 H -5.275 6.306 -8.198 1.00 . A A . 11 TYR HE2 1 1
11 1777 1 1 11 TYR HH H -7.314 6.919 -10.092 1.00 . A A . 11 TYR HH 1 1
11 1778 1 1 11 TYR N N -5.593 7.326 -3.592 1.00 . A A . 11 TYR N 1 1
11 1779 1 1 11 TYR O O -8.207 7.391 -3.072 1.00 . A A . 11 TYR O 1 1
11 1780 1 1 11 TYR OH O -7.664 6.489 -9.309 1.00 . A A . 11 TYR OH 1 1
11 1781 1 1 12 CYS C C -10.575 9.196 -4.787 1.00 . A A . 12 CYS C 1 1
11 1782 1 1 12 CYS CA C -9.965 9.405 -3.397 1.00 . A A . 12 CYS CA 1 1
11 1783 1 1 12 CYS CB C -10.437 10.731 -2.794 1.00 . A A . 12 CYS CB 1 1
11 1784 1 1 12 CYS H H -8.076 10.394 -3.721 1.00 . A A . 12 CYS H 1 1
11 1785 1 1 12 CYS HA H -10.217 8.580 -2.748 1.00 . A A . 12 CYS HA 1 1
11 1786 1 1 12 CYS HB2 H -9.668 11.478 -2.925 1.00 . A A . 12 CYS HB2 1 1
11 1787 1 1 12 CYS HB3 H -11.338 11.052 -3.297 1.00 . A A . 12 CYS HB3 1 1
11 1788 1 1 12 CYS N N -8.485 9.529 -3.508 1.00 . A A . 12 CYS N 1 1
11 1789 1 1 12 CYS O O -10.995 8.107 -5.125 1.00 . A A . 12 CYS O 1 1
11 1790 1 1 12 CYS SG S -10.776 10.524 -1.027 1.00 . A A . 12 CYS SG 1 1
11 1791 1 1 13 NH2 HN1 H -10.298 11.080 -5.345 1.00 . A A . 13 NH2 HN1 1 1
11 1792 1 1 13 NH2 HN2 H -11.022 10.078 -6.509 1.00 . A A . 13 NH2 HN2 1 1
11 1793 1 1 13 NH2 N N -10.638 10.202 -5.615 1.00 . A A . 13 NH2 N 1 1
12 1794 1 1 1 ACE C C -10.642 8.215 0.406 1.00 . A A . 1 ACE C 1 1
12 1795 1 1 1 ACE CH3 C -12.017 8.438 1.036 1.00 . A A . 1 ACE CH3 1 1
12 1796 1 1 1 ACE H1 H -12.092 9.459 1.383 1.00 . A A . 1 ACE H1 1 1
12 1797 1 1 1 ACE H2 H -12.145 7.764 1.871 1.00 . A A . 1 ACE H2 1 1
12 1798 1 1 1 ACE H3 H -12.785 8.251 0.301 1.00 . A A . 1 ACE H3 1 1
12 1799 1 1 1 ACE O O -10.527 7.656 -0.670 1.00 . A A . 1 ACE O 1 1
12 1800 1 1 2 CYS C C -7.601 7.176 1.058 1.00 . A A . 2 CYS C 1 1
12 1801 1 1 2 CYS CA C -8.224 8.462 0.511 1.00 . A A . 2 CYS CA 1 1
12 1802 1 1 2 CYS CB C -7.437 9.684 0.986 1.00 . A A . 2 CYS CB 1 1
12 1803 1 1 2 CYS H H -9.719 9.093 1.932 1.00 . A A . 2 CYS H 1 1
12 1804 1 1 2 CYS HA H -8.257 8.438 -0.565 1.00 . A A . 2 CYS HA 1 1
12 1805 1 1 2 CYS HB2 H -7.856 10.047 1.911 1.00 . A A . 2 CYS HB2 1 1
12 1806 1 1 2 CYS HB3 H -6.405 9.408 1.143 1.00 . A A . 2 CYS HB3 1 1
12 1807 1 1 2 CYS N N -9.598 8.647 1.068 1.00 . A A . 2 CYS N 1 1
12 1808 1 1 2 CYS O O -7.291 7.079 2.231 1.00 . A A . 2 CYS O 1 1
12 1809 1 1 2 CYS SG S -7.526 10.989 -0.267 1.00 . A A . 2 CYS SG 1 1
12 1810 1 1 3 TYR C C -5.946 4.285 -0.393 1.00 . A A . 3 TYR C 1 1
12 1811 1 1 3 TYR CA C -6.817 4.906 0.687 1.00 . A A . 3 TYR CA 1 1
12 1812 1 1 3 TYR CB C -8.004 4.000 1.013 1.00 . A A . 3 TYR CB 1 1
12 1813 1 1 3 TYR CD1 C -7.580 3.080 3.321 1.00 . A A . 3 TYR CD1 1 1
12 1814 1 1 3 TYR CD2 C -7.098 1.680 1.401 1.00 . A A . 3 TYR CD2 1 1
12 1815 1 1 3 TYR CE1 C -7.155 2.055 4.175 1.00 . A A . 3 TYR CE1 1 1
12 1816 1 1 3 TYR CE2 C -6.674 0.655 2.254 1.00 . A A . 3 TYR CE2 1 1
12 1817 1 1 3 TYR CG C -7.551 2.892 1.933 1.00 . A A . 3 TYR CG 1 1
12 1818 1 1 3 TYR CZ C -6.702 0.842 3.641 1.00 . A A . 3 TYR CZ 1 1
12 1819 1 1 3 TYR H H -7.678 6.292 -0.723 1.00 . A A . 3 TYR H 1 1
12 1820 1 1 3 TYR HA H -6.231 5.070 1.564 1.00 . A A . 3 TYR HA 1 1
12 1821 1 1 3 TYR HB2 H -8.776 4.579 1.500 1.00 . A A . 3 TYR HB2 1 1
12 1822 1 1 3 TYR HB3 H -8.395 3.573 0.102 1.00 . A A . 3 TYR HB3 1 1
12 1823 1 1 3 TYR HD1 H -7.929 4.015 3.732 1.00 . A A . 3 TYR HD1 1 1
12 1824 1 1 3 TYR HD2 H -7.076 1.536 0.330 1.00 . A A . 3 TYR HD2 1 1
12 1825 1 1 3 TYR HE1 H -7.178 2.200 5.245 1.00 . A A . 3 TYR HE1 1 1
12 1826 1 1 3 TYR HE2 H -6.324 -0.281 1.843 1.00 . A A . 3 TYR HE2 1 1
12 1827 1 1 3 TYR HH H -5.333 -0.086 4.593 1.00 . A A . 3 TYR HH 1 1
12 1828 1 1 3 TYR N N -7.419 6.188 0.217 1.00 . A A . 3 TYR N 1 1
12 1829 1 1 3 TYR O O -6.351 4.155 -1.533 1.00 . A A . 3 TYR O 1 1
12 1830 1 1 3 TYR OH O -6.282 -0.169 4.482 1.00 . A A . 3 TYR OH 1 1
12 1831 1 1 4 CYS C C -3.726 1.773 -0.784 1.00 . A A . 4 CYS C 1 1
12 1832 1 1 4 CYS CA C -3.849 3.269 -1.035 1.00 . A A . 4 CYS CA 1 1
12 1833 1 1 4 CYS CB C -2.493 3.964 -0.892 1.00 . A A . 4 CYS CB 1 1
12 1834 1 1 4 CYS H H -4.453 4.005 0.893 1.00 . A A . 4 CYS H 1 1
12 1835 1 1 4 CYS HA H -4.240 3.435 -2.014 1.00 . A A . 4 CYS HA 1 1
12 1836 1 1 4 CYS HB2 H -2.629 5.035 -0.949 1.00 . A A . 4 CYS HB2 1 1
12 1837 1 1 4 CYS HB3 H -2.052 3.705 0.058 1.00 . A A . 4 CYS HB3 1 1
12 1838 1 1 4 CYS N N -4.750 3.893 -0.034 1.00 . A A . 4 CYS N 1 1
12 1839 1 1 4 CYS O O -2.858 1.316 -0.065 1.00 . A A . 4 CYS O 1 1
12 1840 1 1 4 CYS SG S -1.404 3.417 -2.237 1.00 . A A . 4 CYS SG 1 1
12 1841 1 1 5 SER C C -3.392 -1.028 -2.054 1.00 . A A . 5 SER C 1 1
12 1842 1 1 5 SER CA C -4.545 -0.467 -1.227 1.00 . A A . 5 SER CA 1 1
12 1843 1 1 5 SER CB C -5.886 -0.979 -1.757 1.00 . A A . 5 SER CB 1 1
12 1844 1 1 5 SER H H -5.273 1.423 -1.965 1.00 . A A . 5 SER H 1 1
12 1845 1 1 5 SER HA H -4.431 -0.729 -0.192 1.00 . A A . 5 SER HA 1 1
12 1846 1 1 5 SER HB2 H -5.944 -0.805 -2.818 1.00 . A A . 5 SER HB2 1 1
12 1847 1 1 5 SER HB3 H -5.966 -2.040 -1.563 1.00 . A A . 5 SER HB3 1 1
12 1848 1 1 5 SER HG H -7.444 0.183 -1.780 1.00 . A A . 5 SER HG 1 1
12 1849 1 1 5 SER N N -4.592 1.013 -1.394 1.00 . A A . 5 SER N 1 1
12 1850 1 1 5 SER O O -2.566 -0.286 -2.555 1.00 . A A . 5 SER O 1 1
12 1851 1 1 5 SER OG O -6.943 -0.284 -1.110 1.00 . A A . 5 SER OG 1 1
12 1852 1 1 6 LEU C C -2.719 -3.572 -4.257 1.00 . A A . 6 LEU C 1 1
12 1853 1 1 6 LEU CA C -2.198 -2.924 -2.975 1.00 . A A . 6 LEU CA 1 1
12 1854 1 1 6 LEU CB C -1.584 -3.977 -2.052 1.00 . A A . 6 LEU CB 1 1
12 1855 1 1 6 LEU CD1 C -1.282 -4.221 0.419 1.00 . A A . 6 LEU CD1 1 1
12 1856 1 1 6 LEU CD2 C 0.447 -3.035 -0.935 1.00 . A A . 6 LEU CD2 1 1
12 1857 1 1 6 LEU CG C -1.052 -3.303 -0.782 1.00 . A A . 6 LEU CG 1 1
12 1858 1 1 6 LEU H H -3.986 -2.901 -1.768 1.00 . A A . 6 LEU H 1 1
12 1859 1 1 6 LEU HA H -1.464 -2.171 -3.212 1.00 . A A . 6 LEU HA 1 1
12 1860 1 1 6 LEU HB2 H -2.338 -4.704 -1.786 1.00 . A A . 6 LEU HB2 1 1
12 1861 1 1 6 LEU HB3 H -0.771 -4.473 -2.562 1.00 . A A . 6 LEU HB3 1 1
12 1862 1 1 6 LEU HD11 H -0.872 -5.197 0.211 1.00 . A A . 6 LEU HD11 1 1
12 1863 1 1 6 LEU HD12 H -2.343 -4.307 0.607 1.00 . A A . 6 LEU HD12 1 1
12 1864 1 1 6 LEU HD13 H -0.796 -3.804 1.289 1.00 . A A . 6 LEU HD13 1 1
12 1865 1 1 6 LEU HD21 H 0.836 -2.629 -0.012 1.00 . A A . 6 LEU HD21 1 1
12 1866 1 1 6 LEU HD22 H 0.606 -2.328 -1.735 1.00 . A A . 6 LEU HD22 1 1
12 1867 1 1 6 LEU HD23 H 0.957 -3.959 -1.165 1.00 . A A . 6 LEU HD23 1 1
12 1868 1 1 6 LEU HG H -1.572 -2.369 -0.625 1.00 . A A . 6 LEU HG 1 1
12 1869 1 1 6 LEU N N -3.316 -2.324 -2.190 1.00 . A A . 6 LEU N 1 1
12 1870 1 1 6 LEU O O -2.197 -4.578 -4.700 1.00 . A A . 6 LEU O 1 1
12 1871 1 1 7 ARG C C -4.958 -2.563 -7.010 1.00 . A A . 7 ARG C 1 1
12 1872 1 1 7 ARG CA C -4.275 -3.608 -6.116 1.00 . A A . 7 ARG CA 1 1
12 1873 1 1 7 ARG CB C -5.271 -4.702 -5.685 1.00 . A A . 7 ARG CB 1 1
12 1874 1 1 7 ARG CD C -7.360 -3.340 -5.347 1.00 . A A . 7 ARG CD 1 1
12 1875 1 1 7 ARG CG C -6.277 -4.171 -4.650 1.00 . A A . 7 ARG CG 1 1
12 1876 1 1 7 ARG CZ C -8.201 -1.211 -4.569 1.00 . A A . 7 ARG CZ 1 1
12 1877 1 1 7 ARG H H -4.142 -2.198 -4.485 1.00 . A A . 7 ARG H 1 1
12 1878 1 1 7 ARG HA H -3.467 -4.069 -6.662 1.00 . A A . 7 ARG HA 1 1
12 1879 1 1 7 ARG HB2 H -5.810 -5.050 -6.554 1.00 . A A . 7 ARG HB2 1 1
12 1880 1 1 7 ARG HB3 H -4.725 -5.528 -5.255 1.00 . A A . 7 ARG HB3 1 1
12 1881 1 1 7 ARG HD2 H -7.237 -3.379 -6.419 1.00 . A A . 7 ARG HD2 1 1
12 1882 1 1 7 ARG HD3 H -8.340 -3.695 -5.069 1.00 . A A . 7 ARG HD3 1 1
12 1883 1 1 7 ARG HG2 H -6.740 -5.008 -4.147 1.00 . A A . 7 ARG HG2 1 1
12 1884 1 1 7 ARG HG3 H -5.765 -3.561 -3.924 1.00 . A A . 7 ARG HG3 1 1
12 1885 1 1 7 ARG HH11 H -8.492 -0.639 -6.467 1.00 . A A . 7 ARG HH11 1 1
12 1886 1 1 7 ARG HH12 H -9.612 0.002 -5.312 1.00 . A A . 7 ARG HH12 1 1
12 1887 1 1 7 ARG HH21 H -8.163 -1.622 -2.610 1.00 . A A . 7 ARG HH21 1 1
12 1888 1 1 7 ARG HH22 H -9.423 -0.553 -3.127 1.00 . A A . 7 ARG HH22 1 1
12 1889 1 1 7 ARG N N -3.737 -3.008 -4.858 1.00 . A A . 7 ARG N 1 1
12 1890 1 1 7 ARG NE N -7.164 -1.952 -4.847 1.00 . A A . 7 ARG NE 1 1
12 1891 1 1 7 ARG NH1 N -8.815 -0.565 -5.524 1.00 . A A . 7 ARG NH1 1 1
12 1892 1 1 7 ARG NH2 N -8.628 -1.122 -3.339 1.00 . A A . 7 ARG NH2 1 1
12 1893 1 1 7 ARG O O -5.667 -2.920 -7.935 1.00 . A A . 7 ARG O 1 1
12 1894 1 1 8 GLY C C -5.812 1.002 -6.932 1.00 . A A . 8 GLY C 1 1
12 1895 1 1 8 GLY CA C -5.370 -0.264 -7.683 1.00 . A A . 8 GLY CA 1 1
12 1896 1 1 8 GLY H H -4.139 -1.003 -6.059 1.00 . A A . 8 GLY H 1 1
12 1897 1 1 8 GLY HA2 H -4.661 0.015 -8.448 1.00 . A A . 8 GLY HA2 1 1
12 1898 1 1 8 GLY HA3 H -6.234 -0.709 -8.155 1.00 . A A . 8 GLY HA3 1 1
12 1899 1 1 8 GLY N N -4.734 -1.282 -6.785 1.00 . A A . 8 GLY N 1 1
12 1900 1 1 8 GLY O O -6.325 1.918 -7.551 1.00 . A A . 8 GLY O 1 1
12 1901 1 1 9 ASP C C -4.886 3.098 -4.352 1.00 . A A . 9 ASP C 1 1
12 1902 1 1 9 ASP CA C -6.084 2.327 -4.916 1.00 . A A . 9 ASP CA 1 1
12 1903 1 1 9 ASP CB C -7.002 1.842 -3.788 1.00 . A A . 9 ASP CB 1 1
12 1904 1 1 9 ASP CG C -8.468 2.108 -4.155 1.00 . A A . 9 ASP CG 1 1
12 1905 1 1 9 ASP H H -5.231 0.346 -5.128 1.00 . A A . 9 ASP H 1 1
12 1906 1 1 9 ASP HA H -6.638 2.959 -5.592 1.00 . A A . 9 ASP HA 1 1
12 1907 1 1 9 ASP HB2 H -6.856 0.782 -3.639 1.00 . A A . 9 ASP HB2 1 1
12 1908 1 1 9 ASP HB3 H -6.762 2.369 -2.877 1.00 . A A . 9 ASP HB3 1 1
12 1909 1 1 9 ASP N N -5.640 1.085 -5.631 1.00 . A A . 9 ASP N 1 1
12 1910 1 1 9 ASP O O -3.892 2.517 -3.961 1.00 . A A . 9 ASP O 1 1
12 1911 1 1 9 ASP OD1 O -8.720 3.078 -4.852 1.00 . A A . 9 ASP OD1 1 1
12 1912 1 1 9 ASP OD2 O -9.313 1.339 -3.730 1.00 . A A . 9 ASP OD2 1 1
12 1913 1 1 10 CYS C C -4.289 6.748 -3.952 1.00 . A A . 10 CYS C 1 1
12 1914 1 1 10 CYS CA C -3.896 5.288 -3.756 1.00 . A A . 10 CYS CA 1 1
12 1915 1 1 10 CYS CB C -2.615 4.979 -4.551 1.00 . A A . 10 CYS CB 1 1
12 1916 1 1 10 CYS H H -5.826 4.837 -4.619 1.00 . A A . 10 CYS H 1 1
12 1917 1 1 10 CYS HA H -3.743 5.094 -2.711 1.00 . A A . 10 CYS HA 1 1
12 1918 1 1 10 CYS HB2 H -2.682 4.001 -4.998 1.00 . A A . 10 CYS HB2 1 1
12 1919 1 1 10 CYS HB3 H -2.489 5.718 -5.329 1.00 . A A . 10 CYS HB3 1 1
12 1920 1 1 10 CYS N N -4.995 4.413 -4.302 1.00 . A A . 10 CYS N 1 1
12 1921 1 1 10 CYS O O -3.479 7.579 -4.317 1.00 . A A . 10 CYS O 1 1
12 1922 1 1 10 CYS SG S -1.189 5.038 -3.430 1.00 . A A . 10 CYS SG 1 1
12 1923 1 1 11 TYR C C -7.432 8.585 -3.337 1.00 . A A . 11 TYR C 1 1
12 1924 1 1 11 TYR CA C -6.015 8.459 -3.887 1.00 . A A . 11 TYR CA 1 1
12 1925 1 1 11 TYR CB C -5.994 8.723 -5.400 1.00 . A A . 11 TYR CB 1 1
12 1926 1 1 11 TYR CD1 C -6.299 6.479 -6.511 1.00 . A A . 11 TYR CD1 1 1
12 1927 1 1 11 TYR CD2 C -8.196 7.985 -6.394 1.00 . A A . 11 TYR CD2 1 1
12 1928 1 1 11 TYR CE1 C -7.090 5.535 -7.176 1.00 . A A . 11 TYR CE1 1 1
12 1929 1 1 11 TYR CE2 C -8.985 7.041 -7.061 1.00 . A A . 11 TYR CE2 1 1
12 1930 1 1 11 TYR CG C -6.851 7.703 -6.120 1.00 . A A . 11 TYR CG 1 1
12 1931 1 1 11 TYR CZ C -8.432 5.817 -7.452 1.00 . A A . 11 TYR CZ 1 1
12 1932 1 1 11 TYR H H -6.161 6.361 -3.417 1.00 . A A . 11 TYR H 1 1
12 1933 1 1 11 TYR HA H -5.356 9.148 -3.384 1.00 . A A . 11 TYR HA 1 1
12 1934 1 1 11 TYR HB2 H -6.374 9.714 -5.597 1.00 . A A . 11 TYR HB2 1 1
12 1935 1 1 11 TYR HB3 H -4.978 8.653 -5.760 1.00 . A A . 11 TYR HB3 1 1
12 1936 1 1 11 TYR HD1 H -5.263 6.261 -6.298 1.00 . A A . 11 TYR HD1 1 1
12 1937 1 1 11 TYR HD2 H -8.622 8.930 -6.092 1.00 . A A . 11 TYR HD2 1 1
12 1938 1 1 11 TYR HE1 H -6.664 4.590 -7.478 1.00 . A A . 11 TYR HE1 1 1
12 1939 1 1 11 TYR HE2 H -10.022 7.258 -7.272 1.00 . A A . 11 TYR HE2 1 1
12 1940 1 1 11 TYR HH H -9.544 4.266 -7.458 1.00 . A A . 11 TYR HH 1 1
12 1941 1 1 11 TYR N N -5.534 7.058 -3.716 1.00 . A A . 11 TYR N 1 1
12 1942 1 1 11 TYR O O -7.918 7.711 -2.642 1.00 . A A . 11 TYR O 1 1
12 1943 1 1 11 TYR OH O -9.210 4.886 -8.109 1.00 . A A . 11 TYR OH 1 1
12 1944 1 1 12 CYS C C -10.470 9.773 -4.352 1.00 . A A . 12 CYS C 1 1
12 1945 1 1 12 CYS CA C -9.494 9.842 -3.173 1.00 . A A . 12 CYS CA 1 1
12 1946 1 1 12 CYS CB C -9.516 11.237 -2.535 1.00 . A A . 12 CYS CB 1 1
12 1947 1 1 12 CYS H H -7.685 10.337 -4.228 1.00 . A A . 12 CYS H 1 1
12 1948 1 1 12 CYS HA H -9.731 9.085 -2.442 1.00 . A A . 12 CYS HA 1 1
12 1949 1 1 12 CYS HB2 H -8.650 11.793 -2.862 1.00 . A A . 12 CYS HB2 1 1
12 1950 1 1 12 CYS HB3 H -10.411 11.757 -2.841 1.00 . A A . 12 CYS HB3 1 1
12 1951 1 1 12 CYS N N -8.100 9.657 -3.659 1.00 . A A . 12 CYS N 1 1
12 1952 1 1 12 CYS O O -10.538 10.680 -5.158 1.00 . A A . 12 CYS O 1 1
12 1953 1 1 12 CYS SG S -9.490 11.098 -0.729 1.00 . A A . 12 CYS SG 1 1
12 1954 1 1 13 NH2 HN1 H -11.185 7.992 -3.839 1.00 . A A . 13 NH2 HN1 1 1
12 1955 1 1 13 NH2 HN2 H -11.863 8.670 -5.239 1.00 . A A . 13 NH2 HN2 1 1
12 1956 1 1 13 NH2 N N -11.236 8.726 -4.488 1.00 . A A . 13 NH2 N 1 1
13 1957 1 1 1 ACE C C -10.337 7.397 -0.076 1.00 . A A . 1 ACE C 1 1
13 1958 1 1 1 ACE CH3 C -11.793 7.325 0.387 1.00 . A A . 1 ACE CH3 1 1
13 1959 1 1 1 ACE H1 H -12.447 7.505 -0.453 1.00 . A A . 1 ACE H1 1 1
13 1960 1 1 1 ACE H2 H -11.967 8.073 1.146 1.00 . A A . 1 ACE H2 1 1
13 1961 1 1 1 ACE H3 H -11.993 6.344 0.794 1.00 . A A . 1 ACE H3 1 1
13 1962 1 1 1 ACE O O -9.935 6.709 -0.995 1.00 . A A . 1 ACE O 1 1
13 1963 1 1 2 CYS C C -7.285 7.246 0.818 1.00 . A A . 2 CYS C 1 1
13 1964 1 1 2 CYS CA C -8.112 8.353 0.161 1.00 . A A . 2 CYS CA 1 1
13 1965 1 1 2 CYS CB C -7.676 9.725 0.678 1.00 . A A . 2 CYS CB 1 1
13 1966 1 1 2 CYS H H -9.898 8.770 1.293 1.00 . A A . 2 CYS H 1 1
13 1967 1 1 2 CYS HA H -8.012 8.315 -0.910 1.00 . A A . 2 CYS HA 1 1
13 1968 1 1 2 CYS HB2 H -8.219 9.958 1.581 1.00 . A A . 2 CYS HB2 1 1
13 1969 1 1 2 CYS HB3 H -6.616 9.710 0.889 1.00 . A A . 2 CYS HB3 1 1
13 1970 1 1 2 CYS N N -9.546 8.227 0.557 1.00 . A A . 2 CYS N 1 1
13 1971 1 1 2 CYS O O -6.884 7.362 1.961 1.00 . A A . 2 CYS O 1 1
13 1972 1 1 2 CYS SG S -8.022 10.981 -0.578 1.00 . A A . 2 CYS SG 1 1
13 1973 1 1 3 TYR C C -5.354 4.378 -0.341 1.00 . A A . 3 TYR C 1 1
13 1974 1 1 3 TYR CA C -6.235 5.058 0.705 1.00 . A A . 3 TYR CA 1 1
13 1975 1 1 3 TYR CB C -7.271 4.079 1.258 1.00 . A A . 3 TYR CB 1 1
13 1976 1 1 3 TYR CD1 C -6.604 3.813 3.673 1.00 . A A . 3 TYR CD1 1 1
13 1977 1 1 3 TYR CD2 C -6.138 2.002 2.129 1.00 . A A . 3 TYR CD2 1 1
13 1978 1 1 3 TYR CE1 C -6.035 3.072 4.716 1.00 . A A . 3 TYR CE1 1 1
13 1979 1 1 3 TYR CE2 C -5.568 1.261 3.171 1.00 . A A . 3 TYR CE2 1 1
13 1980 1 1 3 TYR CG C -6.656 3.278 2.381 1.00 . A A . 3 TYR CG 1 1
13 1981 1 1 3 TYR CZ C -5.516 1.795 4.465 1.00 . A A . 3 TYR CZ 1 1
13 1982 1 1 3 TYR H H -7.368 6.097 -0.809 1.00 . A A . 3 TYR H 1 1
13 1983 1 1 3 TYR HA H -5.626 5.431 1.503 1.00 . A A . 3 TYR HA 1 1
13 1984 1 1 3 TYR HB2 H -8.123 4.628 1.630 1.00 . A A . 3 TYR HB2 1 1
13 1985 1 1 3 TYR HB3 H -7.587 3.410 0.471 1.00 . A A . 3 TYR HB3 1 1
13 1986 1 1 3 TYR HD1 H -7.004 4.798 3.867 1.00 . A A . 3 TYR HD1 1 1
13 1987 1 1 3 TYR HD2 H -6.178 1.590 1.132 1.00 . A A . 3 TYR HD2 1 1
13 1988 1 1 3 TYR HE1 H -5.996 3.484 5.713 1.00 . A A . 3 TYR HE1 1 1
13 1989 1 1 3 TYR HE2 H -5.168 0.277 2.978 1.00 . A A . 3 TYR HE2 1 1
13 1990 1 1 3 TYR HH H -4.224 1.572 5.852 1.00 . A A . 3 TYR HH 1 1
13 1991 1 1 3 TYR N N -7.032 6.172 0.109 1.00 . A A . 3 TYR N 1 1
13 1992 1 1 3 TYR O O -5.716 4.264 -1.497 1.00 . A A . 3 TYR O 1 1
13 1993 1 1 3 TYR OH O -4.955 1.065 5.491 1.00 . A A . 3 TYR OH 1 1
13 1994 1 1 4 CYS C C -3.375 1.717 -0.688 1.00 . A A . 4 CYS C 1 1
13 1995 1 1 4 CYS CA C -3.279 3.230 -0.877 1.00 . A A . 4 CYS CA 1 1
13 1996 1 1 4 CYS CB C -1.878 3.750 -0.537 1.00 . A A . 4 CYS CB 1 1
13 1997 1 1 4 CYS H H -3.942 4.020 1.011 1.00 . A A . 4 CYS H 1 1
13 1998 1 1 4 CYS HA H -3.533 3.483 -1.885 1.00 . A A . 4 CYS HA 1 1
13 1999 1 1 4 CYS HB2 H -1.873 4.135 0.472 1.00 . A A . 4 CYS HB2 1 1
13 2000 1 1 4 CYS HB3 H -1.166 2.942 -0.617 1.00 . A A . 4 CYS HB3 1 1
13 2001 1 1 4 CYS N N -4.199 3.918 0.071 1.00 . A A . 4 CYS N 1 1
13 2002 1 1 4 CYS O O -2.571 1.107 -0.010 1.00 . A A . 4 CYS O 1 1
13 2003 1 1 4 CYS SG S -1.424 5.075 -1.693 1.00 . A A . 4 CYS SG 1 1
13 2004 1 1 5 SER C C -3.580 -1.115 -2.057 1.00 . A A . 5 SER C 1 1
13 2005 1 1 5 SER CA C -4.560 -0.358 -1.156 1.00 . A A . 5 SER CA 1 1
13 2006 1 1 5 SER CB C -5.999 -0.609 -1.593 1.00 . A A . 5 SER CB 1 1
13 2007 1 1 5 SER H H -5.003 1.648 -1.816 1.00 . A A . 5 SER H 1 1
13 2008 1 1 5 SER HA H -4.434 -0.660 -0.134 1.00 . A A . 5 SER HA 1 1
13 2009 1 1 5 SER HB2 H -6.623 0.209 -1.273 1.00 . A A . 5 SER HB2 1 1
13 2010 1 1 5 SER HB3 H -6.037 -0.688 -2.670 1.00 . A A . 5 SER HB3 1 1
13 2011 1 1 5 SER HG H -6.389 -1.720 -0.044 1.00 . A A . 5 SER HG 1 1
13 2012 1 1 5 SER N N -4.371 1.118 -1.285 1.00 . A A . 5 SER N 1 1
13 2013 1 1 5 SER O O -2.655 -0.541 -2.600 1.00 . A A . 5 SER O 1 1
13 2014 1 1 5 SER OG O -6.465 -1.812 -0.996 1.00 . A A . 5 SER OG 1 1
13 2015 1 1 6 LEU C C -3.476 -3.567 -4.410 1.00 . A A . 6 LEU C 1 1
13 2016 1 1 6 LEU CA C -2.845 -3.212 -3.054 1.00 . A A . 6 LEU CA 1 1
13 2017 1 1 6 LEU CB C -2.574 -4.480 -2.245 1.00 . A A . 6 LEU CB 1 1
13 2018 1 1 6 LEU CD1 C -1.702 -5.260 -0.037 1.00 . A A . 6 LEU CD1 1 1
13 2019 1 1 6 LEU CD2 C -0.186 -4.080 -1.634 1.00 . A A . 6 LEU CD2 1 1
13 2020 1 1 6 LEU CG C -1.617 -4.160 -1.097 1.00 . A A . 6 LEU CG 1 1
13 2021 1 1 6 LEU H H -4.519 -2.841 -1.745 1.00 . A A . 6 LEU H 1 1
13 2022 1 1 6 LEU HA H -1.925 -2.677 -3.205 1.00 . A A . 6 LEU HA 1 1
13 2023 1 1 6 LEU HB2 H -3.505 -4.857 -1.845 1.00 . A A . 6 LEU HB2 1 1
13 2024 1 1 6 LEU HB3 H -2.128 -5.228 -2.884 1.00 . A A . 6 LEU HB3 1 1
13 2025 1 1 6 LEU HD11 H -2.693 -5.273 0.390 1.00 . A A . 6 LEU HD11 1 1
13 2026 1 1 6 LEU HD12 H -0.977 -5.068 0.740 1.00 . A A . 6 LEU HD12 1 1
13 2027 1 1 6 LEU HD13 H -1.494 -6.216 -0.495 1.00 . A A . 6 LEU HD13 1 1
13 2028 1 1 6 LEU HD21 H -0.192 -3.611 -2.606 1.00 . A A . 6 LEU HD21 1 1
13 2029 1 1 6 LEU HD22 H 0.223 -5.077 -1.717 1.00 . A A . 6 LEU HD22 1 1
13 2030 1 1 6 LEU HD23 H 0.422 -3.498 -0.956 1.00 . A A . 6 LEU HD23 1 1
13 2031 1 1 6 LEU HG H -1.890 -3.213 -0.653 1.00 . A A . 6 LEU HG 1 1
13 2032 1 1 6 LEU N N -3.771 -2.403 -2.203 1.00 . A A . 6 LEU N 1 1
13 2033 1 1 6 LEU O O -2.831 -4.156 -5.257 1.00 . A A . 6 LEU O 1 1
13 2034 1 1 7 ARG C C -5.149 -2.361 -6.927 1.00 . A A . 7 ARG C 1 1
13 2035 1 1 7 ARG CA C -5.367 -3.516 -5.940 1.00 . A A . 7 ARG CA 1 1
13 2036 1 1 7 ARG CB C -6.861 -3.662 -5.640 1.00 . A A . 7 ARG CB 1 1
13 2037 1 1 7 ARG CD C -6.863 -4.409 -3.187 1.00 . A A . 7 ARG CD 1 1
13 2038 1 1 7 ARG CG C -7.111 -4.824 -4.656 1.00 . A A . 7 ARG CG 1 1
13 2039 1 1 7 ARG CZ C -8.649 -2.942 -2.445 1.00 . A A . 7 ARG CZ 1 1
13 2040 1 1 7 ARG H H -5.214 -2.722 -3.946 1.00 . A A . 7 ARG H 1 1
13 2041 1 1 7 ARG HA H -4.979 -4.438 -6.345 1.00 . A A . 7 ARG HA 1 1
13 2042 1 1 7 ARG HB2 H -7.233 -2.740 -5.226 1.00 . A A . 7 ARG HB2 1 1
13 2043 1 1 7 ARG HB3 H -7.384 -3.866 -6.564 1.00 . A A . 7 ARG HB3 1 1
13 2044 1 1 7 ARG HD2 H -7.338 -5.119 -2.523 1.00 . A A . 7 ARG HD2 1 1
13 2045 1 1 7 ARG HD3 H -5.807 -4.365 -2.980 1.00 . A A . 7 ARG HD3 1 1
13 2046 1 1 7 ARG HG2 H -8.133 -5.156 -4.758 1.00 . A A . 7 ARG HG2 1 1
13 2047 1 1 7 ARG HG3 H -6.450 -5.642 -4.906 1.00 . A A . 7 ARG HG3 1 1
13 2048 1 1 7 ARG HH11 H -7.943 -3.161 -0.584 1.00 . A A . 7 ARG HH11 1 1
13 2049 1 1 7 ARG HH12 H -9.654 -2.927 -0.713 1.00 . A A . 7 ARG HH12 1 1
13 2050 1 1 7 ARG HH21 H -9.629 -2.696 -4.173 1.00 . A A . 7 ARG HH21 1 1
13 2051 1 1 7 ARG HH22 H -10.609 -2.663 -2.745 1.00 . A A . 7 ARG HH22 1 1
13 2052 1 1 7 ARG N N -4.716 -3.207 -4.630 1.00 . A A . 7 ARG N 1 1
13 2053 1 1 7 ARG NE N -7.479 -3.059 -3.009 1.00 . A A . 7 ARG NE 1 1
13 2054 1 1 7 ARG NH1 N -8.757 -3.015 -1.146 1.00 . A A . 7 ARG NH1 1 1
13 2055 1 1 7 ARG NH2 N -9.712 -2.753 -3.178 1.00 . A A . 7 ARG NH2 1 1
13 2056 1 1 7 ARG O O -5.481 -2.467 -8.093 1.00 . A A . 7 ARG O 1 1
13 2057 1 1 8 GLY C C -4.955 1.184 -6.767 1.00 . A A . 8 GLY C 1 1
13 2058 1 1 8 GLY CA C -4.372 -0.101 -7.377 1.00 . A A . 8 GLY CA 1 1
13 2059 1 1 8 GLY H H -4.343 -1.190 -5.531 1.00 . A A . 8 GLY H 1 1
13 2060 1 1 8 GLY HA2 H -3.310 0.025 -7.532 1.00 . A A . 8 GLY HA2 1 1
13 2061 1 1 8 GLY HA3 H -4.852 -0.291 -8.326 1.00 . A A . 8 GLY HA3 1 1
13 2062 1 1 8 GLY N N -4.602 -1.258 -6.470 1.00 . A A . 8 GLY N 1 1
13 2063 1 1 8 GLY O O -4.921 2.228 -7.392 1.00 . A A . 8 GLY O 1 1
13 2064 1 1 9 ASP C C -4.931 3.199 -4.306 1.00 . A A . 9 ASP C 1 1
13 2065 1 1 9 ASP CA C -6.051 2.376 -4.949 1.00 . A A . 9 ASP CA 1 1
13 2066 1 1 9 ASP CB C -7.037 1.889 -3.888 1.00 . A A . 9 ASP CB 1 1
13 2067 1 1 9 ASP CG C -8.212 1.185 -4.567 1.00 . A A . 9 ASP CG 1 1
13 2068 1 1 9 ASP H H -5.508 0.290 -5.049 1.00 . A A . 9 ASP H 1 1
13 2069 1 1 9 ASP HA H -6.568 2.960 -5.695 1.00 . A A . 9 ASP HA 1 1
13 2070 1 1 9 ASP HB2 H -6.537 1.198 -3.225 1.00 . A A . 9 ASP HB2 1 1
13 2071 1 1 9 ASP HB3 H -7.402 2.731 -3.321 1.00 . A A . 9 ASP HB3 1 1
13 2072 1 1 9 ASP N N -5.484 1.135 -5.558 1.00 . A A . 9 ASP N 1 1
13 2073 1 1 9 ASP O O -3.954 2.656 -3.843 1.00 . A A . 9 ASP O 1 1
13 2074 1 1 9 ASP OD1 O -8.127 -0.016 -4.764 1.00 . A A . 9 ASP OD1 1 1
13 2075 1 1 9 ASP OD2 O -9.179 1.860 -4.879 1.00 . A A . 9 ASP OD2 1 1
13 2076 1 1 10 CYS C C -4.495 6.853 -3.786 1.00 . A A . 10 CYS C 1 1
13 2077 1 1 10 CYS CA C -4.035 5.401 -3.660 1.00 . A A . 10 CYS CA 1 1
13 2078 1 1 10 CYS CB C -2.738 5.185 -4.463 1.00 . A A . 10 CYS CB 1 1
13 2079 1 1 10 CYS H H -5.889 4.904 -4.664 1.00 . A A . 10 CYS H 1 1
13 2080 1 1 10 CYS HA H -3.887 5.151 -2.629 1.00 . A A . 10 CYS HA 1 1
13 2081 1 1 10 CYS HB2 H -2.972 4.668 -5.381 1.00 . A A . 10 CYS HB2 1 1
13 2082 1 1 10 CYS HB3 H -2.301 6.146 -4.700 1.00 . A A . 10 CYS HB3 1 1
13 2083 1 1 10 CYS N N -5.078 4.504 -4.278 1.00 . A A . 10 CYS N 1 1
13 2084 1 1 10 CYS O O -3.705 7.754 -3.993 1.00 . A A . 10 CYS O 1 1
13 2085 1 1 10 CYS SG S -1.540 4.200 -3.513 1.00 . A A . 10 CYS SG 1 1
13 2086 1 1 11 TYR C C -7.805 8.424 -3.391 1.00 . A A . 11 TYR C 1 1
13 2087 1 1 11 TYR CA C -6.330 8.452 -3.782 1.00 . A A . 11 TYR CA 1 1
13 2088 1 1 11 TYR CB C -6.160 8.850 -5.256 1.00 . A A . 11 TYR CB 1 1
13 2089 1 1 11 TYR CD1 C -8.230 7.948 -6.385 1.00 . A A . 11 TYR CD1 1 1
13 2090 1 1 11 TYR CD2 C -6.117 6.816 -6.750 1.00 . A A . 11 TYR CD2 1 1
13 2091 1 1 11 TYR CE1 C -8.870 7.020 -7.214 1.00 . A A . 11 TYR CE1 1 1
13 2092 1 1 11 TYR CE2 C -6.757 5.887 -7.578 1.00 . A A . 11 TYR CE2 1 1
13 2093 1 1 11 TYR CG C -6.853 7.847 -6.153 1.00 . A A . 11 TYR CG 1 1
13 2094 1 1 11 TYR CZ C -8.134 5.988 -7.810 1.00 . A A . 11 TYR CZ 1 1
13 2095 1 1 11 TYR H H -6.381 6.325 -3.492 1.00 . A A . 11 TYR H 1 1
13 2096 1 1 11 TYR HA H -5.785 9.132 -3.147 1.00 . A A . 11 TYR HA 1 1
13 2097 1 1 11 TYR HB2 H -6.592 9.828 -5.414 1.00 . A A . 11 TYR HB2 1 1
13 2098 1 1 11 TYR HB3 H -5.108 8.880 -5.500 1.00 . A A . 11 TYR HB3 1 1
13 2099 1 1 11 TYR HD1 H -8.798 8.744 -5.925 1.00 . A A . 11 TYR HD1 1 1
13 2100 1 1 11 TYR HD2 H -5.055 6.738 -6.570 1.00 . A A . 11 TYR HD2 1 1
13 2101 1 1 11 TYR HE1 H -9.933 7.098 -7.393 1.00 . A A . 11 TYR HE1 1 1
13 2102 1 1 11 TYR HE2 H -6.190 5.092 -8.037 1.00 . A A . 11 TYR HE2 1 1
13 2103 1 1 11 TYR HH H -8.458 4.197 -8.383 1.00 . A A . 11 TYR HH 1 1
13 2104 1 1 11 TYR N N -5.775 7.073 -3.668 1.00 . A A . 11 TYR N 1 1
13 2105 1 1 11 TYR O O -8.303 7.420 -2.914 1.00 . A A . 11 TYR O 1 1
13 2106 1 1 11 TYR OH O -8.766 5.072 -8.627 1.00 . A A . 11 TYR OH 1 1
13 2107 1 1 12 CYS C C -10.807 9.298 -4.504 1.00 . A A . 12 CYS C 1 1
13 2108 1 1 12 CYS CA C -9.957 9.518 -3.250 1.00 . A A . 12 CYS CA 1 1
13 2109 1 1 12 CYS CB C -10.213 10.908 -2.663 1.00 . A A . 12 CYS CB 1 1
13 2110 1 1 12 CYS H H -8.089 10.293 -3.998 1.00 . A A . 12 CYS H 1 1
13 2111 1 1 12 CYS HA H -10.163 8.756 -2.515 1.00 . A A . 12 CYS HA 1 1
13 2112 1 1 12 CYS HB2 H -9.506 11.610 -3.080 1.00 . A A . 12 CYS HB2 1 1
13 2113 1 1 12 CYS HB3 H -11.217 11.221 -2.907 1.00 . A A . 12 CYS HB3 1 1
13 2114 1 1 12 CYS N N -8.509 9.501 -3.601 1.00 . A A . 12 CYS N 1 1
13 2115 1 1 12 CYS O O -11.033 10.213 -5.272 1.00 . A A . 12 CYS O 1 1
13 2116 1 1 12 CYS SG S -10.017 10.856 -0.864 1.00 . A A . 12 CYS SG 1 1
13 2117 1 1 13 NH2 HN1 H -11.109 7.373 -4.129 1.00 . A A . 13 NH2 HN1 1 1
13 2118 1 1 13 NH2 HN2 H -11.835 7.958 -5.548 1.00 . A A . 13 NH2 HN2 1 1
13 2119 1 1 13 NH2 N N -11.291 8.111 -4.748 1.00 . A A . 13 NH2 N 1 1
14 2120 1 1 1 ACE C C -10.535 8.191 0.434 1.00 . A A . 1 ACE C 1 1
14 2121 1 1 1 ACE CH3 C -11.838 8.523 1.165 1.00 . A A . 1 ACE CH3 1 1
14 2122 1 1 1 ACE H1 H -11.739 8.270 2.210 1.00 . A A . 1 ACE H1 1 1
14 2123 1 1 1 ACE H2 H -12.648 7.957 0.731 1.00 . A A . 1 ACE H2 1 1
14 2124 1 1 1 ACE H3 H -12.045 9.579 1.069 1.00 . A A . 1 ACE H3 1 1
14 2125 1 1 1 ACE O O -10.535 7.500 -0.568 1.00 . A A . 1 ACE O 1 1
14 2126 1 1 2 CYS C C -7.484 7.142 0.873 1.00 . A A . 2 CYS C 1 1
14 2127 1 1 2 CYS CA C -8.116 8.397 0.270 1.00 . A A . 2 CYS CA 1 1
14 2128 1 1 2 CYS CB C -7.255 9.627 0.555 1.00 . A A . 2 CYS CB 1 1
14 2129 1 1 2 CYS H H -9.455 9.233 1.737 1.00 . A A . 2 CYS H 1 1
14 2130 1 1 2 CYS HA H -8.249 8.278 -0.792 1.00 . A A . 2 CYS HA 1 1
14 2131 1 1 2 CYS HB2 H -7.549 10.060 1.500 1.00 . A A . 2 CYS HB2 1 1
14 2132 1 1 2 CYS HB3 H -6.215 9.335 0.600 1.00 . A A . 2 CYS HB3 1 1
14 2133 1 1 2 CYS N N -9.426 8.678 0.931 1.00 . A A . 2 CYS N 1 1
14 2134 1 1 2 CYS O O -7.278 7.059 2.070 1.00 . A A . 2 CYS O 1 1
14 2135 1 1 2 CYS SG S -7.483 10.844 -0.765 1.00 . A A . 2 CYS SG 1 1
14 2136 1 1 3 TYR C C -5.564 4.318 -0.398 1.00 . A A . 3 TYR C 1 1
14 2137 1 1 3 TYR CA C -6.568 4.908 0.592 1.00 . A A . 3 TYR CA 1 1
14 2138 1 1 3 TYR CB C -7.744 3.952 0.800 1.00 . A A . 3 TYR CB 1 1
14 2139 1 1 3 TYR CD1 C -6.409 2.356 2.222 1.00 . A A . 3 TYR CD1 1 1
14 2140 1 1 3 TYR CD2 C -8.483 3.248 3.105 1.00 . A A . 3 TYR CD2 1 1
14 2141 1 1 3 TYR CE1 C -6.220 1.627 3.403 1.00 . A A . 3 TYR CE1 1 1
14 2142 1 1 3 TYR CE2 C -8.295 2.521 4.286 1.00 . A A . 3 TYR CE2 1 1
14 2143 1 1 3 TYR CG C -7.540 3.166 2.073 1.00 . A A . 3 TYR CG 1 1
14 2144 1 1 3 TYR CZ C -7.163 1.710 4.435 1.00 . A A . 3 TYR CZ 1 1
14 2145 1 1 3 TYR H H -7.361 6.248 -0.903 1.00 . A A . 3 TYR H 1 1
14 2146 1 1 3 TYR HA H -6.086 5.106 1.528 1.00 . A A . 3 TYR HA 1 1
14 2147 1 1 3 TYR HB2 H -8.661 4.520 0.870 1.00 . A A . 3 TYR HB2 1 1
14 2148 1 1 3 TYR HB3 H -7.807 3.271 -0.036 1.00 . A A . 3 TYR HB3 1 1
14 2149 1 1 3 TYR HD1 H -5.682 2.291 1.426 1.00 . A A . 3 TYR HD1 1 1
14 2150 1 1 3 TYR HD2 H -9.356 3.874 2.991 1.00 . A A . 3 TYR HD2 1 1
14 2151 1 1 3 TYR HE1 H -5.348 1.001 3.518 1.00 . A A . 3 TYR HE1 1 1
14 2152 1 1 3 TYR HE2 H -9.021 2.584 5.081 1.00 . A A . 3 TYR HE2 1 1
14 2153 1 1 3 TYR HH H -7.741 0.425 5.723 1.00 . A A . 3 TYR HH 1 1
14 2154 1 1 3 TYR N N -7.181 6.161 0.056 1.00 . A A . 3 TYR N 1 1
14 2155 1 1 3 TYR O O -5.786 4.309 -1.594 1.00 . A A . 3 TYR O 1 1
14 2156 1 1 3 TYR OH O -6.976 0.991 5.599 1.00 . A A . 3 TYR OH 1 1
14 2157 1 1 4 CYS C C -3.427 1.687 -0.620 1.00 . A A . 4 CYS C 1 1
14 2158 1 1 4 CYS CA C -3.436 3.206 -0.791 1.00 . A A . 4 CYS CA 1 1
14 2159 1 1 4 CYS CB C -2.096 3.817 -0.355 1.00 . A A . 4 CYS CB 1 1
14 2160 1 1 4 CYS H H -4.317 3.828 1.074 1.00 . A A . 4 CYS H 1 1
14 2161 1 1 4 CYS HA H -3.646 3.455 -1.809 1.00 . A A . 4 CYS HA 1 1
14 2162 1 1 4 CYS HB2 H -2.214 4.281 0.613 1.00 . A A . 4 CYS HB2 1 1
14 2163 1 1 4 CYS HB3 H -1.352 3.037 -0.290 1.00 . A A . 4 CYS HB3 1 1
14 2164 1 1 4 CYS N N -4.463 3.812 0.104 1.00 . A A . 4 CYS N 1 1
14 2165 1 1 4 CYS O O -2.600 1.132 0.079 1.00 . A A . 4 CYS O 1 1
14 2166 1 1 4 CYS SG S -1.556 5.068 -1.557 1.00 . A A . 4 CYS SG 1 1
14 2167 1 1 5 SER C C -3.391 -1.124 -2.078 1.00 . A A . 5 SER C 1 1
14 2168 1 1 5 SER CA C -4.417 -0.472 -1.152 1.00 . A A . 5 SER CA 1 1
14 2169 1 1 5 SER CB C -5.834 -0.837 -1.585 1.00 . A A . 5 SER CB 1 1
14 2170 1 1 5 SER H H -5.001 1.494 -1.814 1.00 . A A . 5 SER H 1 1
14 2171 1 1 5 SER HA H -4.255 -0.782 -0.136 1.00 . A A . 5 SER HA 1 1
14 2172 1 1 5 SER HB2 H -5.916 -0.758 -2.656 1.00 . A A . 5 SER HB2 1 1
14 2173 1 1 5 SER HB3 H -6.051 -1.854 -1.283 1.00 . A A . 5 SER HB3 1 1
14 2174 1 1 5 SER HG H -6.739 -0.097 -0.030 1.00 . A A . 5 SER HG 1 1
14 2175 1 1 5 SER N N -4.350 1.015 -1.260 1.00 . A A . 5 SER N 1 1
14 2176 1 1 5 SER O O -2.517 -0.467 -2.611 1.00 . A A . 5 SER O 1 1
14 2177 1 1 5 SER OG O -6.756 0.057 -0.978 1.00 . A A . 5 SER OG 1 1
14 2178 1 1 6 LEU C C -3.158 -3.458 -4.512 1.00 . A A . 6 LEU C 1 1
14 2179 1 1 6 LEU CA C -2.526 -3.124 -3.155 1.00 . A A . 6 LEU CA 1 1
14 2180 1 1 6 LEU CB C -2.162 -4.404 -2.403 1.00 . A A . 6 LEU CB 1 1
14 2181 1 1 6 LEU CD1 C -0.819 -5.295 -0.494 1.00 . A A . 6 LEU CD1 1 1
14 2182 1 1 6 LEU CD2 C 0.302 -4.010 -2.319 1.00 . A A . 6 LEU CD2 1 1
14 2183 1 1 6 LEU CG C -0.972 -4.136 -1.482 1.00 . A A . 6 LEU CG 1 1
14 2184 1 1 6 LEU H H -4.207 -2.917 -1.822 1.00 . A A . 6 LEU H 1 1
14 2185 1 1 6 LEU HA H -1.648 -2.522 -3.296 1.00 . A A . 6 LEU HA 1 1
14 2186 1 1 6 LEU HB2 H -3.009 -4.728 -1.814 1.00 . A A . 6 LEU HB2 1 1
14 2187 1 1 6 LEU HB3 H -1.900 -5.176 -3.111 1.00 . A A . 6 LEU HB3 1 1
14 2188 1 1 6 LEU HD11 H -1.042 -6.225 -0.994 1.00 . A A . 6 LEU HD11 1 1
14 2189 1 1 6 LEU HD12 H -1.501 -5.157 0.331 1.00 . A A . 6 LEU HD12 1 1
14 2190 1 1 6 LEU HD13 H 0.195 -5.319 -0.122 1.00 . A A . 6 LEU HD13 1 1
14 2191 1 1 6 LEU HD21 H 0.354 -4.829 -3.022 1.00 . A A . 6 LEU HD21 1 1
14 2192 1 1 6 LEU HD22 H 1.165 -4.039 -1.670 1.00 . A A . 6 LEU HD22 1 1
14 2193 1 1 6 LEU HD23 H 0.288 -3.074 -2.857 1.00 . A A . 6 LEU HD23 1 1
14 2194 1 1 6 LEU HG H -1.139 -3.219 -0.936 1.00 . A A . 6 LEU HG 1 1
14 2195 1 1 6 LEU N N -3.493 -2.414 -2.268 1.00 . A A . 6 LEU N 1 1
14 2196 1 1 6 LEU O O -2.466 -3.792 -5.455 1.00 . A A . 6 LEU O 1 1
14 2197 1 1 7 ARG C C -4.845 -2.546 -6.905 1.00 . A A . 7 ARG C 1 1
14 2198 1 1 7 ARG CA C -5.126 -3.683 -5.926 1.00 . A A . 7 ARG CA 1 1
14 2199 1 1 7 ARG CB C -6.638 -3.768 -5.646 1.00 . A A . 7 ARG CB 1 1
14 2200 1 1 7 ARG CD C -8.080 -4.067 -3.606 1.00 . A A . 7 ARG CD 1 1
14 2201 1 1 7 ARG CG C -6.937 -4.670 -4.435 1.00 . A A . 7 ARG CG 1 1
14 2202 1 1 7 ARG CZ C -8.436 -1.917 -2.548 1.00 . A A . 7 ARG CZ 1 1
14 2203 1 1 7 ARG H H -4.999 -3.099 -3.854 1.00 . A A . 7 ARG H 1 1
14 2204 1 1 7 ARG HA H -4.765 -4.621 -6.320 1.00 . A A . 7 ARG HA 1 1
14 2205 1 1 7 ARG HB2 H -7.020 -2.778 -5.457 1.00 . A A . 7 ARG HB2 1 1
14 2206 1 1 7 ARG HB3 H -7.132 -4.174 -6.517 1.00 . A A . 7 ARG HB3 1 1
14 2207 1 1 7 ARG HD2 H -8.985 -4.027 -4.196 1.00 . A A . 7 ARG HD2 1 1
14 2208 1 1 7 ARG HD3 H -8.240 -4.650 -2.713 1.00 . A A . 7 ARG HD3 1 1
14 2209 1 1 7 ARG HG2 H -7.230 -5.649 -4.786 1.00 . A A . 7 ARG HG2 1 1
14 2210 1 1 7 ARG HG3 H -6.059 -4.765 -3.816 1.00 . A A . 7 ARG HG3 1 1
14 2211 1 1 7 ARG HH11 H -8.352 -3.052 -0.901 1.00 . A A . 7 ARG HH11 1 1
14 2212 1 1 7 ARG HH12 H -9.346 -1.639 -0.786 1.00 . A A . 7 ARG HH12 1 1
14 2213 1 1 7 ARG HH21 H -8.705 -0.601 -4.032 1.00 . A A . 7 ARG HH21 1 1
14 2214 1 1 7 ARG HH22 H -9.545 -0.250 -2.559 1.00 . A A . 7 ARG HH22 1 1
14 2215 1 1 7 ARG N N -4.461 -3.371 -4.622 1.00 . A A . 7 ARG N 1 1
14 2216 1 1 7 ARG NE N -7.639 -2.685 -3.239 1.00 . A A . 7 ARG NE 1 1
14 2217 1 1 7 ARG NH1 N -8.735 -2.227 -1.315 1.00 . A A . 7 ARG NH1 1 1
14 2218 1 1 7 ARG NH2 N -8.934 -0.839 -3.088 1.00 . A A . 7 ARG NH2 1 1
14 2219 1 1 7 ARG O O -4.208 -2.728 -7.925 1.00 . A A . 7 ARG O 1 1
14 2220 1 1 8 GLY C C -5.642 1.073 -6.817 1.00 . A A . 8 GLY C 1 1
14 2221 1 1 8 GLY CA C -5.088 -0.196 -7.475 1.00 . A A . 8 GLY CA 1 1
14 2222 1 1 8 GLY H H -5.822 -1.260 -5.758 1.00 . A A . 8 GLY H 1 1
14 2223 1 1 8 GLY HA2 H -4.028 -0.079 -7.647 1.00 . A A . 8 GLY HA2 1 1
14 2224 1 1 8 GLY HA3 H -5.590 -0.355 -8.417 1.00 . A A . 8 GLY HA3 1 1
14 2225 1 1 8 GLY N N -5.318 -1.369 -6.587 1.00 . A A . 8 GLY N 1 1
14 2226 1 1 8 GLY O O -6.057 1.994 -7.496 1.00 . A A . 8 GLY O 1 1
14 2227 1 1 9 ASP C C -5.024 3.165 -4.219 1.00 . A A . 9 ASP C 1 1
14 2228 1 1 9 ASP CA C -6.178 2.359 -4.819 1.00 . A A . 9 ASP CA 1 1
14 2229 1 1 9 ASP CB C -7.096 1.832 -3.716 1.00 . A A . 9 ASP CB 1 1
14 2230 1 1 9 ASP CG C -8.552 1.890 -4.185 1.00 . A A . 9 ASP CG 1 1
14 2231 1 1 9 ASP H H -5.310 0.388 -4.963 1.00 . A A . 9 ASP H 1 1
14 2232 1 1 9 ASP HA H -6.741 2.965 -5.512 1.00 . A A . 9 ASP HA 1 1
14 2233 1 1 9 ASP HB2 H -6.832 0.811 -3.487 1.00 . A A . 9 ASP HB2 1 1
14 2234 1 1 9 ASP HB3 H -6.982 2.441 -2.831 1.00 . A A . 9 ASP HB3 1 1
14 2235 1 1 9 ASP N N -5.651 1.138 -5.501 1.00 . A A . 9 ASP N 1 1
14 2236 1 1 9 ASP O O -4.038 2.610 -3.786 1.00 . A A . 9 ASP O 1 1
14 2237 1 1 9 ASP OD1 O -8.799 1.546 -5.330 1.00 . A A . 9 ASP OD1 1 1
14 2238 1 1 9 ASP OD2 O -9.395 2.279 -3.393 1.00 . A A . 9 ASP OD2 1 1
14 2239 1 1 10 CYS C C -4.468 6.816 -3.813 1.00 . A A . 10 CYS C 1 1
14 2240 1 1 10 CYS CA C -4.072 5.354 -3.607 1.00 . A A . 10 CYS CA 1 1
14 2241 1 1 10 CYS CB C -2.771 5.043 -4.378 1.00 . A A . 10 CYS CB 1 1
14 2242 1 1 10 CYS H H -5.969 4.887 -4.545 1.00 . A A . 10 CYS H 1 1
14 2243 1 1 10 CYS HA H -3.953 5.154 -2.563 1.00 . A A . 10 CYS HA 1 1
14 2244 1 1 10 CYS HB2 H -3.009 4.456 -5.253 1.00 . A A . 10 CYS HB2 1 1
14 2245 1 1 10 CYS HB3 H -2.309 5.969 -4.690 1.00 . A A . 10 CYS HB3 1 1
14 2246 1 1 10 CYS N N -5.150 4.473 -4.188 1.00 . A A . 10 CYS N 1 1
14 2247 1 1 10 CYS O O -3.643 7.663 -4.102 1.00 . A A . 10 CYS O 1 1
14 2248 1 1 10 CYS SG S -1.602 4.110 -3.340 1.00 . A A . 10 CYS SG 1 1
14 2249 1 1 11 TYR C C -7.678 8.588 -3.419 1.00 . A A . 11 TYR C 1 1
14 2250 1 1 11 TYR CA C -6.218 8.504 -3.859 1.00 . A A . 11 TYR CA 1 1
14 2251 1 1 11 TYR CB C -6.083 8.794 -5.362 1.00 . A A . 11 TYR CB 1 1
14 2252 1 1 11 TYR CD1 C -6.247 6.565 -6.534 1.00 . A A . 11 TYR CD1 1 1
14 2253 1 1 11 TYR CD2 C -8.183 8.025 -6.534 1.00 . A A . 11 TYR CD2 1 1
14 2254 1 1 11 TYR CE1 C -6.961 5.617 -7.276 1.00 . A A . 11 TYR CE1 1 1
14 2255 1 1 11 TYR CE2 C -8.898 7.076 -7.275 1.00 . A A . 11 TYR CE2 1 1
14 2256 1 1 11 TYR CG C -6.857 7.770 -6.164 1.00 . A A . 11 TYR CG 1 1
14 2257 1 1 11 TYR CZ C -8.287 5.873 -7.646 1.00 . A A . 11 TYR CZ 1 1
14 2258 1 1 11 TYR H H -6.369 6.402 -3.430 1.00 . A A . 11 TYR H 1 1
14 2259 1 1 11 TYR HA H -5.613 9.194 -3.292 1.00 . A A . 11 TYR HA 1 1
14 2260 1 1 11 TYR HB2 H -6.472 9.779 -5.572 1.00 . A A . 11 TYR HB2 1 1
14 2261 1 1 11 TYR HB3 H -5.041 8.754 -5.642 1.00 . A A . 11 TYR HB3 1 1
14 2262 1 1 11 TYR HD1 H -5.224 6.368 -6.249 1.00 . A A . 11 TYR HD1 1 1
14 2263 1 1 11 TYR HD2 H -8.653 8.954 -6.248 1.00 . A A . 11 TYR HD2 1 1
14 2264 1 1 11 TYR HE1 H -6.490 4.688 -7.562 1.00 . A A . 11 TYR HE1 1 1
14 2265 1 1 11 TYR HE2 H -9.921 7.274 -7.561 1.00 . A A . 11 TYR HE2 1 1
14 2266 1 1 11 TYR HH H -9.149 4.177 -7.812 1.00 . A A . 11 TYR HH 1 1
14 2267 1 1 11 TYR N N -5.732 7.108 -3.672 1.00 . A A . 11 TYR N 1 1
14 2268 1 1 11 TYR O O -8.227 7.631 -2.906 1.00 . A A . 11 TYR O 1 1
14 2269 1 1 11 TYR OH O -8.992 4.938 -8.377 1.00 . A A . 11 TYR OH 1 1
14 2270 1 1 12 CYS C C -10.643 9.726 -4.465 1.00 . A A . 12 CYS C 1 1
14 2271 1 1 12 CYS CA C -9.740 9.837 -3.232 1.00 . A A . 12 CYS CA 1 1
14 2272 1 1 12 CYS CB C -9.860 11.225 -2.602 1.00 . A A . 12 CYS CB 1 1
14 2273 1 1 12 CYS H H -7.851 10.461 -4.058 1.00 . A A . 12 CYS H 1 1
14 2274 1 1 12 CYS HA H -9.990 9.074 -2.512 1.00 . A A . 12 CYS HA 1 1
14 2275 1 1 12 CYS HB2 H -9.164 11.898 -3.081 1.00 . A A . 12 CYS HB2 1 1
14 2276 1 1 12 CYS HB3 H -10.866 11.594 -2.734 1.00 . A A . 12 CYS HB3 1 1
14 2277 1 1 12 CYS N N -8.311 9.709 -3.631 1.00 . A A . 12 CYS N 1 1
14 2278 1 1 12 CYS O O -10.329 10.250 -5.516 1.00 . A A . 12 CYS O 1 1
14 2279 1 1 12 CYS SG S -9.482 11.128 -0.834 1.00 . A A . 12 CYS SG 1 1
14 2280 1 1 13 NH2 HN1 H -12.014 8.634 -3.532 1.00 . A A . 13 NH2 HN1 1 1
14 2281 1 1 13 NH2 HN2 H -12.345 8.979 -5.161 1.00 . A A . 13 NH2 HN2 1 1
14 2282 1 1 13 NH2 N N -11.760 9.058 -4.379 1.00 . A A . 13 NH2 N 1 1
15 2283 1 1 1 ACE C C -10.225 4.770 -0.820 1.00 . A A . 1 ACE C 1 1
15 2284 1 1 1 ACE CH3 C -10.966 3.509 -0.373 1.00 . A A . 1 ACE CH3 1 1
15 2285 1 1 1 ACE H1 H -10.803 2.720 -1.092 1.00 . A A . 1 ACE H1 1 1
15 2286 1 1 1 ACE H2 H -12.023 3.719 -0.301 1.00 . A A . 1 ACE H2 1 1
15 2287 1 1 1 ACE H3 H -10.594 3.198 0.592 1.00 . A A . 1 ACE H3 1 1
15 2288 1 1 1 ACE O O -9.990 4.977 -1.996 1.00 . A A . 1 ACE O 1 1
15 2289 1 1 2 CYS C C -7.684 6.794 0.232 1.00 . A A . 2 CYS C 1 1
15 2290 1 1 2 CYS CA C -9.131 6.868 -0.254 1.00 . A A . 2 CYS CA 1 1
15 2291 1 1 2 CYS CB C -9.893 7.984 0.460 1.00 . A A . 2 CYS CB 1 1
15 2292 1 1 2 CYS H H -10.061 5.424 1.049 1.00 . A A . 2 CYS H 1 1
15 2293 1 1 2 CYS HA H -9.160 7.021 -1.317 1.00 . A A . 2 CYS HA 1 1
15 2294 1 1 2 CYS HB2 H -10.030 7.720 1.499 1.00 . A A . 2 CYS HB2 1 1
15 2295 1 1 2 CYS HB3 H -9.333 8.903 0.395 1.00 . A A . 2 CYS HB3 1 1
15 2296 1 1 2 CYS N N -9.858 5.616 0.110 1.00 . A A . 2 CYS N 1 1
15 2297 1 1 2 CYS O O -7.157 7.730 0.805 1.00 . A A . 2 CYS O 1 1
15 2298 1 1 2 CYS SG S -11.510 8.198 -0.327 1.00 . A A . 2 CYS SG 1 1
15 2299 1 1 3 TYR C C -4.879 4.616 -0.552 1.00 . A A . 3 TYR C 1 1
15 2300 1 1 3 TYR CA C -5.629 5.510 0.433 1.00 . A A . 3 TYR CA 1 1
15 2301 1 1 3 TYR CB C -5.710 4.854 1.811 1.00 . A A . 3 TYR CB 1 1
15 2302 1 1 3 TYR CD1 C -4.725 6.738 3.167 1.00 . A A . 3 TYR CD1 1 1
15 2303 1 1 3 TYR CD2 C -7.033 6.103 3.557 1.00 . A A . 3 TYR CD2 1 1
15 2304 1 1 3 TYR CE1 C -4.832 7.731 4.148 1.00 . A A . 3 TYR CE1 1 1
15 2305 1 1 3 TYR CE2 C -7.139 7.096 4.539 1.00 . A A . 3 TYR CE2 1 1
15 2306 1 1 3 TYR CG C -5.826 5.924 2.871 1.00 . A A . 3 TYR CG 1 1
15 2307 1 1 3 TYR CZ C -6.039 7.910 4.834 1.00 . A A . 3 TYR CZ 1 1
15 2308 1 1 3 TYR H H -7.502 4.956 -0.470 1.00 . A A . 3 TYR H 1 1
15 2309 1 1 3 TYR HA H -5.141 6.465 0.510 1.00 . A A . 3 TYR HA 1 1
15 2310 1 1 3 TYR HB2 H -6.576 4.210 1.853 1.00 . A A . 3 TYR HB2 1 1
15 2311 1 1 3 TYR HB3 H -4.818 4.270 1.986 1.00 . A A . 3 TYR HB3 1 1
15 2312 1 1 3 TYR HD1 H -3.794 6.600 2.638 1.00 . A A . 3 TYR HD1 1 1
15 2313 1 1 3 TYR HD2 H -7.882 5.476 3.330 1.00 . A A . 3 TYR HD2 1 1
15 2314 1 1 3 TYR HE1 H -3.983 8.358 4.375 1.00 . A A . 3 TYR HE1 1 1
15 2315 1 1 3 TYR HE2 H -8.070 7.235 5.068 1.00 . A A . 3 TYR HE2 1 1
15 2316 1 1 3 TYR HH H -6.516 8.487 6.591 1.00 . A A . 3 TYR HH 1 1
15 2317 1 1 3 TYR N N -7.046 5.681 0.001 1.00 . A A . 3 TYR N 1 1
15 2318 1 1 3 TYR O O -5.401 4.246 -1.587 1.00 . A A . 3 TYR O 1 1
15 2319 1 1 3 TYR OH O -6.144 8.888 5.802 1.00 . A A . 3 TYR OH 1 1
15 2320 1 1 4 CYS C C -3.129 1.916 -0.797 1.00 . A A . 4 CYS C 1 1
15 2321 1 1 4 CYS CA C -2.875 3.380 -1.142 1.00 . A A . 4 CYS CA 1 1
15 2322 1 1 4 CYS CB C -1.417 3.779 -0.931 1.00 . A A . 4 CYS CB 1 1
15 2323 1 1 4 CYS H H -3.267 4.566 0.611 1.00 . A A . 4 CYS H 1 1
15 2324 1 1 4 CYS HA H -3.155 3.560 -2.157 1.00 . A A . 4 CYS HA 1 1
15 2325 1 1 4 CYS HB2 H -1.263 4.057 0.102 1.00 . A A . 4 CYS HB2 1 1
15 2326 1 1 4 CYS HB3 H -0.774 2.949 -1.184 1.00 . A A . 4 CYS HB3 1 1
15 2327 1 1 4 CYS N N -3.661 4.258 -0.232 1.00 . A A . 4 CYS N 1 1
15 2328 1 1 4 CYS O O -2.364 1.280 -0.098 1.00 . A A . 4 CYS O 1 1
15 2329 1 1 4 CYS SG S -1.040 5.189 -2.007 1.00 . A A . 4 CYS SG 1 1
15 2330 1 1 5 SER C C -3.749 -0.981 -1.873 1.00 . A A . 5 SER C 1 1
15 2331 1 1 5 SER CA C -4.578 -0.029 -1.007 1.00 . A A . 5 SER CA 1 1
15 2332 1 1 5 SER CB C -6.061 -0.134 -1.344 1.00 . A A . 5 SER CB 1 1
15 2333 1 1 5 SER H H -4.815 1.943 -1.840 1.00 . A A . 5 SER H 1 1
15 2334 1 1 5 SER HA H -4.427 -0.252 0.029 1.00 . A A . 5 SER HA 1 1
15 2335 1 1 5 SER HB2 H -6.221 0.170 -2.365 1.00 . A A . 5 SER HB2 1 1
15 2336 1 1 5 SER HB3 H -6.387 -1.157 -1.218 1.00 . A A . 5 SER HB3 1 1
15 2337 1 1 5 SER HG H -6.999 0.237 0.320 1.00 . A A . 5 SER HG 1 1
15 2338 1 1 5 SER N N -4.220 1.391 -1.288 1.00 . A A . 5 SER N 1 1
15 2339 1 1 5 SER O O -2.749 -0.597 -2.451 1.00 . A A . 5 SER O 1 1
15 2340 1 1 5 SER OG O -6.798 0.723 -0.482 1.00 . A A . 5 SER OG 1 1
15 2341 1 1 6 LEU C C -4.017 -3.476 -4.113 1.00 . A A . 6 LEU C 1 1
15 2342 1 1 6 LEU CA C -3.373 -3.223 -2.743 1.00 . A A . 6 LEU CA 1 1
15 2343 1 1 6 LEU CB C -3.395 -4.498 -1.902 1.00 . A A . 6 LEU CB 1 1
15 2344 1 1 6 LEU CD1 C -2.999 -5.135 0.482 1.00 . A A . 6 LEU CD1 1 1
15 2345 1 1 6 LEU CD2 C -1.066 -4.857 -1.075 1.00 . A A . 6 LEU CD2 1 1
15 2346 1 1 6 LEU CG C -2.457 -4.336 -0.705 1.00 . A A . 6 LEU CG 1 1
15 2347 1 1 6 LEU H H -4.944 -2.508 -1.449 1.00 . A A . 6 LEU H 1 1
15 2348 1 1 6 LEU HA H -2.357 -2.889 -2.867 1.00 . A A . 6 LEU HA 1 1
15 2349 1 1 6 LEU HB2 H -4.400 -4.680 -1.550 1.00 . A A . 6 LEU HB2 1 1
15 2350 1 1 6 LEU HB3 H -3.067 -5.333 -2.504 1.00 . A A . 6 LEU HB3 1 1
15 2351 1 1 6 LEU HD11 H -3.862 -4.631 0.890 1.00 . A A . 6 LEU HD11 1 1
15 2352 1 1 6 LEU HD12 H -2.235 -5.215 1.241 1.00 . A A . 6 LEU HD12 1 1
15 2353 1 1 6 LEU HD13 H -3.282 -6.123 0.151 1.00 . A A . 6 LEU HD13 1 1
15 2354 1 1 6 LEU HD21 H -1.152 -5.849 -1.493 1.00 . A A . 6 LEU HD21 1 1
15 2355 1 1 6 LEU HD22 H -0.447 -4.892 -0.191 1.00 . A A . 6 LEU HD22 1 1
15 2356 1 1 6 LEU HD23 H -0.616 -4.199 -1.803 1.00 . A A . 6 LEU HD23 1 1
15 2357 1 1 6 LEU HG H -2.392 -3.291 -0.436 1.00 . A A . 6 LEU HG 1 1
15 2358 1 1 6 LEU N N -4.147 -2.226 -1.942 1.00 . A A . 6 LEU N 1 1
15 2359 1 1 6 LEU O O -3.371 -3.986 -5.011 1.00 . A A . 6 LEU O 1 1
15 2360 1 1 7 ARG C C -5.396 -2.371 -6.665 1.00 . A A . 7 ARG C 1 1
15 2361 1 1 7 ARG CA C -5.924 -3.370 -5.615 1.00 . A A . 7 ARG CA 1 1
15 2362 1 1 7 ARG CB C -7.445 -3.226 -5.367 1.00 . A A . 7 ARG CB 1 1
15 2363 1 1 7 ARG CD C -8.933 -1.484 -4.344 1.00 . A A . 7 ARG CD 1 1
15 2364 1 1 7 ARG CG C -7.906 -1.757 -5.443 1.00 . A A . 7 ARG CG 1 1
15 2365 1 1 7 ARG CZ C -8.746 -1.547 -1.932 1.00 . A A . 7 ARG CZ 1 1
15 2366 1 1 7 ARG H H -5.774 -2.722 -3.556 1.00 . A A . 7 ARG H 1 1
15 2367 1 1 7 ARG HA H -5.711 -4.377 -5.943 1.00 . A A . 7 ARG HA 1 1
15 2368 1 1 7 ARG HB2 H -7.978 -3.798 -6.112 1.00 . A A . 7 ARG HB2 1 1
15 2369 1 1 7 ARG HB3 H -7.678 -3.621 -4.389 1.00 . A A . 7 ARG HB3 1 1
15 2370 1 1 7 ARG HD2 H -9.410 -0.527 -4.504 1.00 . A A . 7 ARG HD2 1 1
15 2371 1 1 7 ARG HD3 H -9.668 -2.273 -4.308 1.00 . A A . 7 ARG HD3 1 1
15 2372 1 1 7 ARG HG2 H -7.055 -1.105 -5.309 1.00 . A A . 7 ARG HG2 1 1
15 2373 1 1 7 ARG HG3 H -8.355 -1.571 -6.407 1.00 . A A . 7 ARG HG3 1 1
15 2374 1 1 7 ARG HH11 H -9.076 0.423 -1.800 1.00 . A A . 7 ARG HH11 1 1
15 2375 1 1 7 ARG HH12 H -9.661 -0.524 -0.474 1.00 . A A . 7 ARG HH12 1 1
15 2376 1 1 7 ARG HH21 H -8.557 -3.535 -1.795 1.00 . A A . 7 ARG HH21 1 1
15 2377 1 1 7 ARG HH22 H -9.366 -2.766 -0.470 1.00 . A A . 7 ARG HH22 1 1
15 2378 1 1 7 ARG N N -5.271 -3.133 -4.288 1.00 . A A . 7 ARG N 1 1
15 2379 1 1 7 ARG NE N -8.140 -1.469 -3.085 1.00 . A A . 7 ARG NE 1 1
15 2380 1 1 7 ARG NH1 N -9.196 -0.465 -1.357 1.00 . A A . 7 ARG NH1 1 1
15 2381 1 1 7 ARG NH2 N -8.901 -2.707 -1.354 1.00 . A A . 7 ARG NH2 1 1
15 2382 1 1 7 ARG O O -5.610 -2.539 -7.851 1.00 . A A . 7 ARG O 1 1
15 2383 1 1 8 GLY C C -4.732 1.056 -6.889 1.00 . A A . 8 GLY C 1 1
15 2384 1 1 8 GLY CA C -4.171 -0.338 -7.196 1.00 . A A . 8 GLY CA 1 1
15 2385 1 1 8 GLY H H -4.547 -1.224 -5.276 1.00 . A A . 8 GLY H 1 1
15 2386 1 1 8 GLY HA2 H -3.094 -0.316 -7.121 1.00 . A A . 8 GLY HA2 1 1
15 2387 1 1 8 GLY HA3 H -4.454 -0.621 -8.198 1.00 . A A . 8 GLY HA3 1 1
15 2388 1 1 8 GLY N N -4.710 -1.338 -6.232 1.00 . A A . 8 GLY N 1 1
15 2389 1 1 8 GLY O O -4.734 1.922 -7.745 1.00 . A A . 8 GLY O 1 1
15 2390 1 1 9 ASP C C -4.669 3.450 -4.604 1.00 . A A . 9 ASP C 1 1
15 2391 1 1 9 ASP CA C -5.737 2.646 -5.346 1.00 . A A . 9 ASP CA 1 1
15 2392 1 1 9 ASP CB C -6.943 2.384 -4.443 1.00 . A A . 9 ASP CB 1 1
15 2393 1 1 9 ASP CG C -7.882 3.591 -4.483 1.00 . A A . 9 ASP CG 1 1
15 2394 1 1 9 ASP H H -5.181 0.589 -4.990 1.00 . A A . 9 ASP H 1 1
15 2395 1 1 9 ASP HA H -6.046 3.162 -6.242 1.00 . A A . 9 ASP HA 1 1
15 2396 1 1 9 ASP HB2 H -7.469 1.506 -4.792 1.00 . A A . 9 ASP HB2 1 1
15 2397 1 1 9 ASP HB3 H -6.608 2.225 -3.430 1.00 . A A . 9 ASP HB3 1 1
15 2398 1 1 9 ASP N N -5.196 1.293 -5.680 1.00 . A A . 9 ASP N 1 1
15 2399 1 1 9 ASP O O -3.710 2.892 -4.120 1.00 . A A . 9 ASP O 1 1
15 2400 1 1 9 ASP OD1 O -8.626 3.707 -5.442 1.00 . A A . 9 ASP OD1 1 1
15 2401 1 1 9 ASP OD2 O -7.842 4.379 -3.552 1.00 . A A . 9 ASP OD2 1 1
15 2402 1 1 10 CYS C C -4.326 7.044 -3.682 1.00 . A A . 10 CYS C 1 1
15 2403 1 1 10 CYS CA C -3.820 5.603 -3.795 1.00 . A A . 10 CYS CA 1 1
15 2404 1 1 10 CYS CB C -2.542 5.552 -4.649 1.00 . A A . 10 CYS CB 1 1
15 2405 1 1 10 CYS H H -5.620 5.169 -4.923 1.00 . A A . 10 CYS H 1 1
15 2406 1 1 10 CYS HA H -3.627 5.211 -2.816 1.00 . A A . 10 CYS HA 1 1
15 2407 1 1 10 CYS HB2 H -2.784 5.174 -5.630 1.00 . A A . 10 CYS HB2 1 1
15 2408 1 1 10 CYS HB3 H -2.136 6.550 -4.744 1.00 . A A . 10 CYS HB3 1 1
15 2409 1 1 10 CYS N N -4.830 4.751 -4.515 1.00 . A A . 10 CYS N 1 1
15 2410 1 1 10 CYS O O -3.550 7.978 -3.606 1.00 . A A . 10 CYS O 1 1
15 2411 1 1 10 CYS SG S -1.301 4.469 -3.880 1.00 . A A . 10 CYS SG 1 1
15 2412 1 1 11 TYR C C -7.694 8.509 -3.293 1.00 . A A . 11 TYR C 1 1
15 2413 1 1 11 TYR CA C -6.190 8.599 -3.543 1.00 . A A . 11 TYR CA 1 1
15 2414 1 1 11 TYR CB C -5.895 9.291 -4.882 1.00 . A A . 11 TYR CB 1 1
15 2415 1 1 11 TYR CD1 C -5.826 7.401 -6.553 1.00 . A A . 11 TYR CD1 1 1
15 2416 1 1 11 TYR CD2 C -7.749 8.877 -6.544 1.00 . A A . 11 TYR CD2 1 1
15 2417 1 1 11 TYR CE1 C -6.390 6.671 -7.606 1.00 . A A . 11 TYR CE1 1 1
15 2418 1 1 11 TYR CE2 C -8.313 8.148 -7.598 1.00 . A A . 11 TYR CE2 1 1
15 2419 1 1 11 TYR CG C -6.506 8.503 -6.022 1.00 . A A . 11 TYR CG 1 1
15 2420 1 1 11 TYR CZ C -7.634 7.045 -8.128 1.00 . A A . 11 TYR CZ 1 1
15 2421 1 1 11 TYR H H -6.225 6.461 -3.712 1.00 . A A . 11 TYR H 1 1
15 2422 1 1 11 TYR HA H -5.711 9.131 -2.737 1.00 . A A . 11 TYR HA 1 1
15 2423 1 1 11 TYR HB2 H -6.315 10.286 -4.872 1.00 . A A . 11 TYR HB2 1 1
15 2424 1 1 11 TYR HB3 H -4.826 9.355 -5.024 1.00 . A A . 11 TYR HB3 1 1
15 2425 1 1 11 TYR HD1 H -4.867 7.111 -6.150 1.00 . A A . 11 TYR HD1 1 1
15 2426 1 1 11 TYR HD2 H -8.273 9.728 -6.134 1.00 . A A . 11 TYR HD2 1 1
15 2427 1 1 11 TYR HE1 H -5.867 5.820 -8.017 1.00 . A A . 11 TYR HE1 1 1
15 2428 1 1 11 TYR HE2 H -9.274 8.437 -8.001 1.00 . A A . 11 TYR HE2 1 1
15 2429 1 1 11 TYR HH H -9.127 6.216 -8.984 1.00 . A A . 11 TYR HH 1 1
15 2430 1 1 11 TYR N N -5.622 7.229 -3.661 1.00 . A A . 11 TYR N 1 1
15 2431 1 1 11 TYR O O -8.267 7.436 -3.315 1.00 . A A . 11 TYR O 1 1
15 2432 1 1 11 TYR OH O -8.191 6.327 -9.168 1.00 . A A . 11 TYR OH 1 1
15 2433 1 1 12 CYS C C -10.559 10.129 -4.027 1.00 . A A . 12 CYS C 1 1
15 2434 1 1 12 CYS CA C -9.802 9.598 -2.806 1.00 . A A . 12 CYS CA 1 1
15 2435 1 1 12 CYS CB C -10.005 10.519 -1.602 1.00 . A A . 12 CYS CB 1 1
15 2436 1 1 12 CYS H H -7.849 10.473 -3.048 1.00 . A A . 12 CYS H 1 1
15 2437 1 1 12 CYS HA H -10.119 8.595 -2.569 1.00 . A A . 12 CYS HA 1 1
15 2438 1 1 12 CYS HB2 H -9.205 10.368 -0.894 1.00 . A A . 12 CYS HB2 1 1
15 2439 1 1 12 CYS HB3 H -9.996 11.547 -1.934 1.00 . A A . 12 CYS HB3 1 1
15 2440 1 1 12 CYS N N -8.334 9.622 -3.058 1.00 . A A . 12 CYS N 1 1
15 2441 1 1 12 CYS O O -11.619 9.641 -4.363 1.00 . A A . 12 CYS O 1 1
15 2442 1 1 12 CYS SG S -11.593 10.161 -0.806 1.00 . A A . 12 CYS SG 1 1
15 2443 1 1 13 NH2 HN1 H -9.198 11.513 -4.439 1.00 . A A . 13 NH2 HN1 1 1
15 2444 1 1 13 NH2 HN2 H -10.529 11.468 -5.492 1.00 . A A . 13 NH2 HN2 1 1
15 2445 1 1 13 NH2 N N -10.053 11.119 -4.709 1.00 . A A . 13 NH2 N 1 1
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