Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
607958 | 5lfh RC | 34017 | cing | 4-filtered-FRED | STAR | entry | full | 70 |
data_FRED_restraints_with_modified_coordinates_PDB_code_5lfh
# This FRED archive file contains, for PDB entry <5lfh>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389–396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_5lfh
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 5lfh
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all other bound"
_Assembly.Molecular_mass 943.13
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 $ACE_ARG_ALA_DCY_ARG_PHE_PHE_CYS A . 1 1
stop_
save_
save_ACE_ARG_ALA_DCY_ARG_PHE_PHE_CYS
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "ACE ARG ALA DCY ARG PHE PHE CYS"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XRAXRFFC
_Entity.Number_of_monomers 8
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 ARG . 1 1
3 ALA . 1 1
4 . $. 1 1
5 ARG . 1 1
6 PHE . 1 1
7 PHE . 1 1
8 CYS . 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
ARG 2 2 1 1
ALA 3 3 1 1
. 4 4 1 1
ARG 5 5 1 1
PHE 6 6 1 1
PHE 7 7 1 1
CYS 8 8 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_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_DYANA/DIANA_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
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 ARG H . 1 ARG+ HN 1 1
1 1 2 1 1 2 ARG QB . 1 ARG+ HB2 1 1
2 1 1 1 1 2 ARG H . 1 ARG+ HN 1 1
2 1 2 1 1 2 ARG QG . 1 ARG+ QG 1 1
3 1 1 1 1 2 ARG H . 1 ARG+ HN 1 1
3 1 2 1 1 3 ALA H . 2 ALA HN 1 1
4 1 1 1 1 2 ARG HA . 1 ARG+ HA 1 1
4 1 2 1 1 2 ARG HE . 1 ARG+ HE 1 1
5 1 1 1 1 2 ARG HA . 1 ARG+ HA 1 1
5 1 2 1 1 3 ALA H . 2 ALA HN 1 1
6 1 1 1 1 2 ARG QB . 1 ARG+ HB2 1 1
6 1 2 1 1 2 ARG HE . 1 ARG+ HE 1 1
7 1 1 1 1 2 ARG QB . 1 ARG+ HB2 1 1
7 1 2 1 1 3 ALA H . 2 ALA HN 1 1
8 1 1 1 1 2 ARG QB . 1 ARG+ HB2 1 1
8 1 2 1 1 6 PHE QB . 5 PHE QB 1 1
9 1 1 1 1 2 ARG QB . 1 ARG+ HB2 1 1
9 1 2 1 1 6 PHE QD . 5 PHE QD 1 1
10 1 1 1 1 2 ARG QD . 1 ARG+ QD 1 1
10 1 2 1 1 3 ALA H . 2 ALA HN 1 1
11 1 1 1 1 2 ARG QG . 1 ARG+ QG 1 1
11 1 2 1 1 3 ALA H . 2 ALA HN 1 1
12 1 1 1 1 2 ARG QG . 1 ARG+ QG 1 1
12 1 2 1 1 6 PHE QD . 5 PHE QD 1 1
13 1 1 1 1 3 ALA H . 2 ALA HN 1 1
13 1 2 1 1 3 ALA HA . 2 ALA HA 1 1
14 1 1 1 1 3 ALA MB . 2 ALA QB 1 1
14 1 2 1 1 7 PHE QD . 6 PHE QD 1 1
15 1 1 1 1 3 ALA MB . 2 ALA QB 1 1
15 1 2 1 1 7 PHE QE . 6 PHE QE 1 1
16 1 1 1 1 5 ARG H . 4 ARG+ HN 1 1
16 1 2 1 1 5 ARG HB2 . 4 ARG+ HB2 1 1
17 1 1 1 1 5 ARG H . 4 ARG+ HN 1 1
17 1 2 1 1 5 ARG QB . 4 ARG+ QB 1 1
18 1 1 1 1 5 ARG H . 4 ARG+ HN 1 1
18 1 2 1 1 5 ARG HB3 . 4 ARG+ HB3 1 1
19 1 1 1 1 5 ARG H . 4 ARG+ HN 1 1
19 1 2 1 1 5 ARG HE . 4 ARG+ HE 1 1
20 1 1 1 1 5 ARG H . 4 ARG+ HN 1 1
20 1 2 1 1 6 PHE H . 5 PHE HN 1 1
21 1 1 1 1 5 ARG H . 4 ARG+ HN 1 1
21 1 2 1 1 6 PHE QD . 5 PHE QD 1 1
22 1 1 1 1 5 ARG HA . 4 ARG+ HA 1 1
22 1 2 1 1 5 ARG HE . 4 ARG+ HE 1 1
23 1 1 1 1 5 ARG HA . 4 ARG+ HA 1 1
23 1 2 1 1 6 PHE H . 5 PHE HN 1 1
24 1 1 1 1 5 ARG HA . 4 ARG+ HA 1 1
24 1 2 1 1 6 PHE QB . 5 PHE QB 1 1
25 1 1 1 1 5 ARG HA . 4 ARG+ HA 1 1
25 1 2 1 1 6 PHE QD . 5 PHE QD 1 1
26 1 1 1 1 5 ARG HA . 4 ARG+ HA 1 1
26 1 2 1 1 6 PHE QE . 5 PHE QE 1 1
27 1 1 1 1 5 ARG HA . 4 ARG+ HA 1 1
27 1 2 1 1 7 PHE H . 6 PHE HN 1 1
28 1 1 1 1 5 ARG QB . 4 ARG+ QB 1 1
28 1 2 1 1 5 ARG HE . 4 ARG+ HE 1 1
29 1 1 1 1 5 ARG HB2 . 4 ARG+ HB2 1 1
29 1 2 1 1 6 PHE H . 5 PHE HN 1 1
30 1 1 1 1 5 ARG HB2 . 4 ARG+ HB2 1 1
30 1 2 1 1 6 PHE QB . 5 PHE QB 1 1
31 1 1 1 1 5 ARG HB2 . 4 ARG+ HB2 1 1
31 1 2 1 1 6 PHE QD . 5 PHE QD 1 1
32 1 1 1 1 5 ARG HB2 . 4 ARG+ HB2 1 1
32 1 2 1 1 6 PHE QE . 5 PHE QE 1 1
33 1 1 1 1 5 ARG HB2 . 4 ARG+ HB2 1 1
33 1 2 1 1 6 PHE HZ . 5 PHE HZ 1 1
34 1 1 1 1 5 ARG HB3 . 4 ARG+ HB3 1 1
34 1 2 1 1 6 PHE H . 5 PHE HN 1 1
35 1 1 1 1 5 ARG HB3 . 4 ARG+ HB3 1 1
35 1 2 1 1 6 PHE QB . 5 PHE QB 1 1
36 1 1 1 1 5 ARG HB3 . 4 ARG+ HB3 1 1
36 1 2 1 1 6 PHE QD . 5 PHE QD 1 1
37 1 1 1 1 5 ARG HB3 . 4 ARG+ HB3 1 1
37 1 2 1 1 6 PHE QE . 5 PHE QE 1 1
38 1 1 1 1 5 ARG HB3 . 4 ARG+ HB3 1 1
38 1 2 1 1 6 PHE HZ . 5 PHE HZ 1 1
39 1 1 1 1 5 ARG QD . 4 ARG+ QD 1 1
39 1 2 1 1 6 PHE H . 5 PHE HN 1 1
40 1 1 1 1 5 ARG QD . 4 ARG+ QD 1 1
40 1 2 1 1 6 PHE QB . 5 PHE QB 1 1
41 1 1 1 1 5 ARG QD . 4 ARG+ QD 1 1
41 1 2 1 1 6 PHE QD . 5 PHE QD 1 1
42 1 1 1 1 5 ARG QD . 4 ARG+ QD 1 1
42 1 2 1 1 6 PHE QE . 5 PHE QE 1 1
43 1 1 1 1 5 ARG QD . 4 ARG+ QD 1 1
43 1 2 1 1 6 PHE HZ . 5 PHE HZ 1 1
44 1 1 1 1 5 ARG QG . 4 ARG+ QG 1 1
44 1 2 1 1 6 PHE H . 5 PHE HN 1 1
45 1 1 1 1 5 ARG QG . 4 ARG+ QG 1 1
45 1 2 1 1 6 PHE QB . 5 PHE QB 1 1
46 1 1 1 1 5 ARG QG . 4 ARG+ QG 1 1
46 1 2 1 1 6 PHE QD . 5 PHE QD 1 1
47 1 1 1 1 5 ARG QG . 4 ARG+ QG 1 1
47 1 2 1 1 6 PHE QE . 5 PHE QE 1 1
48 1 1 1 1 5 ARG QG . 4 ARG+ QG 1 1
48 1 2 1 1 6 PHE HZ . 5 PHE HZ 1 1
49 1 1 1 1 6 PHE H . 5 PHE HN 1 1
49 1 2 1 1 7 PHE H . 6 PHE HN 1 1
50 1 1 1 1 6 PHE H . 5 PHE HN 1 1
50 1 2 1 1 7 PHE QD . 6 PHE QD 1 1
51 1 1 1 1 6 PHE H . 5 PHE HN 1 1
51 1 2 1 1 7 PHE QE . 6 PHE QE 1 1
52 1 1 1 1 6 PHE HA . 5 PHE HA 1 1
52 1 2 1 1 7 PHE QE . 6 PHE QE 1 1
53 1 1 1 1 6 PHE QB . 5 PHE QB 1 1
53 1 2 1 1 7 PHE H . 6 PHE HN 1 1
54 1 1 1 1 6 PHE QB . 5 PHE QB 1 1
54 1 2 1 1 7 PHE HB2 . 6 PHE HB2 1 1
55 1 1 1 1 6 PHE QB . 5 PHE QB 1 1
55 1 2 1 1 7 PHE HB3 . 6 PHE HB3 1 1
56 1 1 1 1 6 PHE QB . 5 PHE QB 1 1
56 1 2 1 1 7 PHE QD . 6 PHE QD 1 1
57 1 1 1 1 6 PHE QB . 5 PHE QB 1 1
57 1 2 1 1 7 PHE QE . 6 PHE QE 1 1
58 1 1 1 1 6 PHE QD . 5 PHE QD 1 1
58 1 2 1 1 7 PHE H . 6 PHE HN 1 1
59 1 1 1 1 6 PHE QD . 5 PHE QD 1 1
59 1 2 1 1 7 PHE QB . 6 PHE QB 1 1
60 1 1 1 1 7 PHE H . 6 PHE HN 1 1
60 1 2 1 1 7 PHE HB2 . 6 PHE HB2 1 1
61 1 1 1 1 7 PHE H . 6 PHE HN 1 1
61 1 2 1 1 7 PHE QB . 6 PHE QB 1 1
62 1 1 1 1 7 PHE H . 6 PHE HN 1 1
62 1 2 1 1 7 PHE HB3 . 6 PHE HB3 1 1
63 1 1 1 1 7 PHE H . 6 PHE HN 1 1
63 1 2 1 1 8 CYS H . 7 CYSS HN 1 1
64 1 1 1 1 7 PHE HA . 6 PHE HA 1 1
64 1 2 1 1 8 CYS H . 7 CYSS HN 1 1
65 1 1 1 1 7 PHE QB . 6 PHE QB 1 1
65 1 2 1 1 8 CYS H . 7 CYSS HN 1 1
66 1 1 1 1 7 PHE QD . 6 PHE QD 1 1
66 1 2 1 1 8 CYS H . 7 CYSS HN 1 1
67 1 1 1 1 7 PHE QE . 6 PHE QE 1 1
67 1 2 1 1 8 CYS H . 7 CYSS HN 1 1
68 1 1 1 1 8 CYS H . 7 CYSS HN 1 1
68 1 2 1 1 8 CYS HB2 . 7 CYSS HB2 1 1
69 1 1 1 1 8 CYS H . 7 CYSS HN 1 1
69 1 2 1 1 8 CYS QB . 7 CYSS QB 1 1
70 1 1 1 1 8 CYS H . 7 CYSS HN 1 1
70 1 2 1 1 8 CYS HB3 . 7 CYSS HB3 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 . . . . . . . 2.72 1 1
2 1 . . . . . . . 4.86 1 1
3 1 . . . . . . . 3.24 1 1
4 1 . . . . . . . 5.5 1 1
5 1 . . . . . . . 2.74 1 1
6 1 . . . . . . . 3.69 1 1
7 1 . . . . . . . 3.03 1 1
8 1 . . . . . . . 6.38 1 1
9 1 . . . . . . . 7.62 1 1
10 1 . . . . . . . 6.38 1 1
11 1 . . . . . . . 6.38 1 1
12 1 . . . . . . . 8.5 1 1
13 1 . . . . . . . 2.8 1 1
14 1 . . . . . . . 8.65 1 1
15 1 . . . . . . . 8.65 1 1
16 1 . . . . . . . 3.08 1 1
17 1 . . . . . . . 2.63 1 1
18 1 . . . . . . . 3.08 1 1
19 1 . . . . . . . 5.5 1 1
20 1 . . . . . . . 2.96 1 1
21 1 . . . . . . . 7.62 1 1
22 1 . . . . . . . 5.5 1 1
23 1 . . . . . . . 3.08 1 1
24 1 . . . . . . . 6.0 1 1
25 1 . . . . . . . 7.62 1 1
26 1 . . . . . . . 7.62 1 1
27 1 . . . . . . . 5.5 1 1
28 1 . . . . . . . 3.9 1 1
29 1 . . . . . . . 3.42 1 1
30 1 . . . . . . . 6.38 1 1
31 1 . . . . . . . 7.5 1 1
32 1 . . . . . . . 7.62 1 1
33 1 . . . . . . . 5.5 1 1
34 1 . . . . . . . 3.42 1 1
35 1 . . . . . . . 6.38 1 1
36 1 . . . . . . . 7.5 1 1
37 1 . . . . . . . 7.62 1 1
38 1 . . . . . . . 5.5 1 1
39 1 . . . . . . . 6.38 1 1
40 1 . . . . . . . 7.25 1 1
41 1 . . . . . . . 8.5 1 1
42 1 . . . . . . . 8.5 1 1
43 1 . . . . . . . 6.38 1 1
44 1 . . . . . . . 6.38 1 1
45 1 . . . . . . . 7.25 1 1
46 1 . . . . . . . 8.5 1 1
47 1 . . . . . . . 8.5 1 1
48 1 . . . . . . . 6.38 1 1
49 1 . . . . . . . 3.36 1 1
50 1 . . . . . . . 7.62 1 1
51 1 . . . . . . . 7.62 1 1
52 1 . . . . . . . 7.62 1 1
53 1 . . . . . . . 4.36 1 1
54 1 . . . . . . . 6.38 1 1
55 1 . . . . . . . 6.38 1 1
56 1 . . . . . . . 8.28 1 1
57 1 . . . . . . . 8.5 1 1
58 1 . . . . . . . 7.62 1 1
59 1 . . . . . . . 7.3 1 1
60 1 . . . . . . . 4.01 1 1
61 1 . . . . . . . 3.36 1 1
62 1 . . . . . . . 4.01 1 1
63 1 . . . . . . . 3.33 1 1
64 1 . . . . . . . 2.96 1 1
65 1 . . . . . . . 4.0 1 1
66 1 . . . . . . . 7.62 1 1
67 1 . . . . . . . 7.62 1 1
68 1 . . . . . . . 3.33 1 1
69 1 . . . . . . . 2.87 1 1
70 1 . . . . . . . 3.33 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 -7.983 -2.373 4.000 1.00 . A A . 1 ACE C 1 1
1 2 1 1 1 ACE CH3 C -7.557 -3.768 4.415 1.00 . A A . 1 ACE CH3 1 1
1 3 1 1 1 ACE H1 H -6.755 -3.739 5.175 1.00 . A A . 1 ACE H1 1 1
1 4 1 1 1 ACE H2 H -8.409 -4.316 4.856 1.00 . A A . 1 ACE H2 1 1
1 5 1 1 1 ACE H3 H -7.200 -4.360 3.551 1.00 . A A . 1 ACE H3 1 1
1 6 1 1 1 ACE O O -9.122 -1.966 4.231 1.00 . A A . 1 ACE O 1 1
1 7 1 1 2 ARG C C -6.695 -0.257 1.342 1.00 . A A . 2 ARG C 1 1
1 8 1 1 2 ARG CA C -7.329 -0.314 2.778 1.00 . A A . 2 ARG CA 1 1
1 9 1 1 2 ARG CB C -6.959 0.769 3.848 1.00 . A A . 2 ARG CB 1 1
1 10 1 1 2 ARG CD C -7.959 3.088 4.572 1.00 . A A . 2 ARG CD 1 1
1 11 1 1 2 ARG CG C -7.286 2.242 3.468 1.00 . A A . 2 ARG CG 1 1
1 12 1 1 2 ARG CZ C -6.250 4.514 5.752 1.00 . A A . 2 ARG CZ 1 1
1 13 1 1 2 ARG H H -6.196 -2.188 3.192 1.00 . A A . 2 ARG H 1 1
1 14 1 1 2 ARG HA H -8.418 -0.217 2.589 1.00 . A A . 2 ARG HA 1 1
1 15 1 1 2 ARG HB2 H -7.495 0.511 4.784 1.00 . A A . 2 ARG HB2 1 1
1 16 1 1 2 ARG HB3 H -5.889 0.685 4.127 1.00 . A A . 2 ARG HB3 1 1
1 17 1 1 2 ARG HD2 H -8.423 3.991 4.129 1.00 . A A . 2 ARG HD2 1 1
1 18 1 1 2 ARG HD3 H -8.832 2.530 4.969 1.00 . A A . 2 ARG HD3 1 1
1 19 1 1 2 ARG HE H -7.075 2.908 6.574 1.00 . A A . 2 ARG HE 1 1
1 20 1 1 2 ARG HG2 H -6.369 2.750 3.114 1.00 . A A . 2 ARG HG2 1 1
1 21 1 1 2 ARG HG3 H -7.962 2.255 2.590 1.00 . A A . 2 ARG HG3 1 1
1 22 1 1 2 ARG HH11 H -5.021 5.592 6.883 1.00 . A A . 2 ARG HH11 1 1
1 23 1 1 2 ARG HH12 H -5.787 4.127 7.644 1.00 . A A . 2 ARG HH12 1 1
1 24 1 1 2 ARG HH21 H -5.461 6.141 4.871 1.00 . A A . 2 ARG HH21 1 1
1 25 1 1 2 ARG HH22 H -6.613 5.087 3.913 1.00 . A A . 2 ARG HH22 1 1
1 26 1 1 2 ARG N N -7.046 -1.650 3.386 1.00 . A A . 2 ARG N 1 1
1 27 1 1 2 ARG NE N -7.049 3.444 5.702 1.00 . A A . 2 ARG NE 1 1
1 28 1 1 2 ARG NH1 N -5.610 4.757 6.859 1.00 . A A . 2 ARG NH1 1 1
1 29 1 1 2 ARG NH2 N -6.074 5.334 4.744 1.00 . A A . 2 ARG NH2 1 1
1 30 1 1 2 ARG O O -6.997 -1.114 0.506 1.00 . A A . 2 ARG O 1 1
1 31 1 1 3 ALA C C -3.657 -0.047 -0.222 1.00 . A A . 3 ALA C 1 1
1 32 1 1 3 ALA CA C -5.022 0.735 -0.229 1.00 . A A . 3 ALA CA 1 1
1 33 1 1 3 ALA CB C -4.790 2.229 -0.530 1.00 . A A . 3 ALA CB 1 1
1 34 1 1 3 ALA H H -5.663 1.391 1.787 1.00 . A A . 3 ALA H 1 1
1 35 1 1 3 ALA HA H -5.620 0.313 -1.062 1.00 . A A . 3 ALA HA 1 1
1 36 1 1 3 ALA HB1 H -4.139 2.715 0.222 1.00 . A A . 3 ALA HB1 1 1
1 37 1 1 3 ALA HB2 H -4.296 2.362 -1.513 1.00 . A A . 3 ALA HB2 1 1
1 38 1 1 3 ALA HB3 H -5.735 2.802 -0.578 1.00 . A A . 3 ALA HB3 1 1
1 39 1 1 3 ALA N N -5.823 0.719 1.033 1.00 . A A . 3 ALA N 1 1
1 40 1 1 3 ALA O O -2.969 -0.097 -1.243 1.00 . A A . 3 ALA O 1 1
1 41 1 1 4 . C C -0.666 -0.223 1.013 1.00 . A A . 4 DCY C 1 1
1 42 1 1 4 . CA C -1.898 -1.196 1.150 1.00 . A A . 4 DCY CA 1 1
1 43 1 1 4 . CB C -1.961 -1.852 2.564 1.00 . A A . 4 DCY CB 1 1
1 44 1 1 4 . H H -3.982 -0.635 1.638 1.00 . A A . 4 DCY H 1 1
1 45 1 1 4 . HA H -1.754 -1.998 0.400 1.00 . A A . 4 DCY HA 1 1
1 46 1 1 4 . HB2 H -1.325 -1.315 3.292 1.00 . A A . 4 DCY HB2 1 1
1 47 1 1 4 . HB3 H -2.967 -1.859 3.028 1.00 . A A . 4 DCY HB3 1 1
1 48 1 1 4 . N N -3.242 -0.601 0.931 1.00 . A A . 4 DCY N 1 1
1 49 1 1 4 . O O 0.395 -0.640 0.550 1.00 . A A . 4 DCY O 1 1
1 50 1 1 4 . SG S -1.419 -3.569 2.538 1.00 . A A . 4 DCY SG 1 1
1 51 1 1 5 ARG C C 1.085 1.782 3.040 1.00 . A A . 5 ARG C 1 1
1 52 1 1 5 ARG CA C 0.365 1.970 1.665 1.00 . A A . 5 ARG CA 1 1
1 53 1 1 5 ARG CB C -0.106 3.447 1.483 1.00 . A A . 5 ARG CB 1 1
1 54 1 1 5 ARG CD C -0.424 5.459 -0.067 1.00 . A A . 5 ARG CD 1 1
1 55 1 1 5 ARG CG C -0.131 3.948 0.022 1.00 . A A . 5 ARG CG 1 1
1 56 1 1 5 ARG CZ C -0.960 7.038 -1.942 1.00 . A A . 5 ARG CZ 1 1
1 57 1 1 5 ARG H H -1.756 1.272 1.726 1.00 . A A . 5 ARG H 1 1
1 58 1 1 5 ARG HA H 1.141 1.762 0.899 1.00 . A A . 5 ARG HA 1 1
1 59 1 1 5 ARG HB2 H -1.102 3.592 1.946 1.00 . A A . 5 ARG HB2 1 1
1 60 1 1 5 ARG HB3 H 0.558 4.121 2.064 1.00 . A A . 5 ARG HB3 1 1
1 61 1 1 5 ARG HD2 H -1.213 5.748 0.660 1.00 . A A . 5 ARG HD2 1 1
1 62 1 1 5 ARG HD3 H 0.486 6.017 0.233 1.00 . A A . 5 ARG HD3 1 1
1 63 1 1 5 ARG HE H -1.238 5.079 -2.064 1.00 . A A . 5 ARG HE 1 1
1 64 1 1 5 ARG HG2 H 0.849 3.747 -0.459 1.00 . A A . 5 ARG HG2 1 1
1 65 1 1 5 ARG HG3 H -0.865 3.347 -0.548 1.00 . A A . 5 ARG HG3 1 1
1 66 1 1 5 ARG HH11 H -1.594 8.140 -3.471 1.00 . A A . 5 ARG HH11 1 1
1 67 1 1 5 ARG HH12 H -1.879 6.346 -3.562 1.00 . A A . 5 ARG HH12 1 1
1 68 1 1 5 ARG HH21 H -0.604 9.011 -1.800 1.00 . A A . 5 ARG HH21 1 1
1 69 1 1 5 ARG HH22 H -0.058 7.923 -0.436 1.00 . A A . 5 ARG HH22 1 1
1 70 1 1 5 ARG N N -0.793 1.045 1.459 1.00 . A A . 5 ARG N 1 1
1 71 1 1 5 ARG NE N -0.869 5.805 -1.444 1.00 . A A . 5 ARG NE 1 1
1 72 1 1 5 ARG NH1 N -1.521 7.189 -3.108 1.00 . A A . 5 ARG NH1 1 1
1 73 1 1 5 ARG NH2 N -0.515 8.108 -1.330 1.00 . A A . 5 ARG NH2 1 1
1 74 1 1 5 ARG O O 2.314 1.713 3.083 1.00 . A A . 5 ARG O 1 1
1 75 1 1 6 PHE C C 0.846 0.214 6.106 1.00 . A A . 6 PHE C 1 1
1 76 1 1 6 PHE CA C 0.882 1.667 5.533 1.00 . A A . 6 PHE CA 1 1
1 77 1 1 6 PHE CB C 0.156 2.687 6.463 1.00 . A A . 6 PHE CB 1 1
1 78 1 1 6 PHE CD1 C -0.909 4.697 5.312 1.00 . A A . 6 PHE CD1 1 1
1 79 1 1 6 PHE CD2 C 1.346 4.928 6.150 1.00 . A A . 6 PHE CD2 1 1
1 80 1 1 6 PHE CE1 C -0.842 5.981 4.777 1.00 . A A . 6 PHE CE1 1 1
1 81 1 1 6 PHE CE2 C 1.408 6.214 5.617 1.00 . A A . 6 PHE CE2 1 1
1 82 1 1 6 PHE CG C 0.188 4.159 5.996 1.00 . A A . 6 PHE CG 1 1
1 83 1 1 6 PHE CZ C 0.318 6.738 4.929 1.00 . A A . 6 PHE CZ 1 1
1 84 1 1 6 PHE H H -0.677 1.816 3.959 1.00 . A A . 6 PHE H 1 1
1 85 1 1 6 PHE HA H 1.954 1.956 5.523 1.00 . A A . 6 PHE HA 1 1
1 86 1 1 6 PHE HB2 H -0.891 2.365 6.628 1.00 . A A . 6 PHE HB2 1 1
1 87 1 1 6 PHE HB3 H 0.605 2.631 7.473 1.00 . A A . 6 PHE HB3 1 1
1 88 1 1 6 PHE HD1 H -1.803 4.108 5.165 1.00 . A A . 6 PHE HD1 1 1
1 89 1 1 6 PHE HD2 H 2.209 4.522 6.657 1.00 . A A . 6 PHE HD2 1 1
1 90 1 1 6 PHE HE1 H -1.682 6.387 4.233 1.00 . A A . 6 PHE HE1 1 1
1 91 1 1 6 PHE HE2 H 2.310 6.800 5.728 1.00 . A A . 6 PHE HE2 1 1
1 92 1 1 6 PHE HZ H 0.373 7.732 4.509 1.00 . A A . 6 PHE HZ 1 1
1 93 1 1 6 PHE N N 0.327 1.753 4.148 1.00 . A A . 6 PHE N 1 1
1 94 1 1 6 PHE O O 1.829 -0.235 6.696 1.00 . A A . 6 PHE O 1 1
1 95 1 1 7 PHE C C 0.106 -3.064 5.494 1.00 . A A . 7 PHE C 1 1
1 96 1 1 7 PHE CA C -0.432 -1.917 6.448 1.00 . A A . 7 PHE CA 1 1
1 97 1 1 7 PHE CB C -1.944 -2.097 6.832 1.00 . A A . 7 PHE CB 1 1
1 98 1 1 7 PHE CD1 C -2.107 -0.197 8.583 1.00 . A A . 7 PHE CD1 1 1
1 99 1 1 7 PHE CD2 C -4.045 -0.705 7.238 1.00 . A A . 7 PHE CD2 1 1
1 100 1 1 7 PHE CE1 C -2.791 0.870 9.163 1.00 . A A . 7 PHE CE1 1 1
1 101 1 1 7 PHE CE2 C -4.735 0.351 7.831 1.00 . A A . 7 PHE CE2 1 1
1 102 1 1 7 PHE CG C -2.720 -0.981 7.596 1.00 . A A . 7 PHE CG 1 1
1 103 1 1 7 PHE CZ C -4.103 1.143 8.787 1.00 . A A . 7 PHE CZ 1 1
1 104 1 1 7 PHE H H -1.047 -0.012 5.511 1.00 . A A . 7 PHE H 1 1
1 105 1 1 7 PHE HA H 0.148 -2.023 7.388 1.00 . A A . 7 PHE HA 1 1
1 106 1 1 7 PHE HB2 H -2.491 -2.335 5.900 1.00 . A A . 7 PHE HB2 1 1
1 107 1 1 7 PHE HB3 H -2.037 -3.025 7.427 1.00 . A A . 7 PHE HB3 1 1
1 108 1 1 7 PHE HD1 H -1.083 -0.382 8.873 1.00 . A A . 7 PHE HD1 1 1
1 109 1 1 7 PHE HD2 H -4.549 -1.306 6.494 1.00 . A A . 7 PHE HD2 1 1
1 110 1 1 7 PHE HE1 H -2.300 1.489 9.902 1.00 . A A . 7 PHE HE1 1 1
1 111 1 1 7 PHE HE2 H -5.759 0.548 7.554 1.00 . A A . 7 PHE HE2 1 1
1 112 1 1 7 PHE HZ H -4.633 1.963 9.248 1.00 . A A . 7 PHE HZ 1 1
1 113 1 1 7 PHE N N -0.266 -0.526 5.924 1.00 . A A . 7 PHE N 1 1
1 114 1 1 7 PHE O O -0.362 -4.202 5.569 1.00 . A A . 7 PHE O 1 1
1 115 1 1 8 CYS C C 3.250 -3.965 4.129 1.00 . A A . 8 CYS C 1 1
1 116 1 1 8 CYS CA C 1.763 -3.758 3.724 1.00 . A A . 8 CYS CA 1 1
1 117 1 1 8 CYS CB C 1.687 -3.231 2.267 1.00 . A A . 8 CYS CB 1 1
1 118 1 1 8 CYS H H 1.462 -1.824 4.736 1.00 . A A . 8 CYS H 1 1
1 119 1 1 8 CYS HA H 1.268 -4.749 3.768 1.00 . A A . 8 CYS HA 1 1
1 120 1 1 8 CYS HB2 H 1.756 -2.127 2.215 1.00 . A A . 8 CYS HB2 1 1
1 121 1 1 8 CYS HB3 H 2.533 -3.595 1.655 1.00 . A A . 8 CYS HB3 1 1
1 122 1 1 8 CYS N N 1.094 -2.774 4.619 1.00 . A A . 8 CYS N 1 1
1 123 1 1 8 CYS O O 3.977 -3.060 4.828 1.00 . A A . 8 CYS O 1 1
1 124 1 1 8 CYS OXT O 3.736 -5.164 3.700 1.00 . A A . 8 CYS OXT 1 1
1 125 1 1 8 CYS SG S 0.202 -3.768 1.397 1.00 . A A . 8 CYS SG 1 1
2 126 1 1 1 ACE C C -8.028 -2.365 3.908 1.00 . A A . 1 ACE C 1 1
2 127 1 1 1 ACE CH3 C -7.628 -3.764 4.340 1.00 . A A . 1 ACE CH3 1 1
2 128 1 1 1 ACE H1 H -7.007 -4.279 3.584 1.00 . A A . 1 ACE H1 1 1
2 129 1 1 1 ACE H2 H -7.071 -3.741 5.292 1.00 . A A . 1 ACE H2 1 1
2 130 1 1 1 ACE H3 H -8.526 -4.390 4.499 1.00 . A A . 1 ACE H3 1 1
2 131 1 1 1 ACE O O -9.182 -1.962 4.055 1.00 . A A . 1 ACE O 1 1
2 132 1 1 2 ARG C C -6.729 -0.185 1.373 1.00 . A A . 2 ARG C 1 1
2 133 1 1 2 ARG CA C -7.258 -0.251 2.853 1.00 . A A . 2 ARG CA 1 1
2 134 1 1 2 ARG CB C -6.666 0.725 3.925 1.00 . A A . 2 ARG CB 1 1
2 135 1 1 2 ARG CD C -8.122 2.847 4.481 1.00 . A A . 2 ARG CD 1 1
2 136 1 1 2 ARG CG C -6.919 2.248 3.726 1.00 . A A . 2 ARG CG 1 1
2 137 1 1 2 ARG CZ C -10.623 2.780 4.332 1.00 . A A . 2 ARG CZ 1 1
2 138 1 1 2 ARG H H -6.169 -2.149 3.284 1.00 . A A . 2 ARG H 1 1
2 139 1 1 2 ARG HA H -8.341 -0.044 2.768 1.00 . A A . 2 ARG HA 1 1
2 140 1 1 2 ARG HB2 H -7.033 0.439 4.932 1.00 . A A . 2 ARG HB2 1 1
2 141 1 1 2 ARG HB3 H -5.573 0.550 3.992 1.00 . A A . 2 ARG HB3 1 1
2 142 1 1 2 ARG HD2 H -8.065 2.567 5.553 1.00 . A A . 2 ARG HD2 1 1
2 143 1 1 2 ARG HD3 H -8.036 3.954 4.450 1.00 . A A . 2 ARG HD3 1 1
2 144 1 1 2 ARG HE H -9.444 1.804 3.071 1.00 . A A . 2 ARG HE 1 1
2 145 1 1 2 ARG HG2 H -6.019 2.782 4.090 1.00 . A A . 2 ARG HG2 1 1
2 146 1 1 2 ARG HG3 H -6.975 2.527 2.657 1.00 . A A . 2 ARG HG3 1 1
2 147 1 1 2 ARG HH11 H -12.585 2.593 4.081 1.00 . A A . 2 ARG HH11 1 1
2 148 1 1 2 ARG HH12 H -11.508 1.685 2.929 1.00 . A A . 2 ARG HH12 1 1
2 149 1 1 2 ARG HH21 H -11.766 3.797 5.640 1.00 . A A . 2 ARG HH21 1 1
2 150 1 1 2 ARG HH22 H -9.946 3.907 5.791 1.00 . A A . 2 ARG HH22 1 1
2 151 1 1 2 ARG N N -7.045 -1.629 3.388 1.00 . A A . 2 ARG N 1 1
2 152 1 1 2 ARG NE N -9.419 2.427 3.882 1.00 . A A . 2 ARG NE 1 1
2 153 1 1 2 ARG NH1 N -11.672 2.313 3.719 1.00 . A A . 2 ARG NH1 1 1
2 154 1 1 2 ARG NH2 N -10.809 3.576 5.357 1.00 . A A . 2 ARG NH2 1 1
2 155 1 1 2 ARG O O -7.174 -0.962 0.527 1.00 . A A . 2 ARG O 1 1
2 156 1 1 3 ALA C C -3.654 -0.090 -0.231 1.00 . A A . 3 ALA C 1 1
2 157 1 1 3 ALA CA C -5.022 0.687 -0.237 1.00 . A A . 3 ALA CA 1 1
2 158 1 1 3 ALA CB C -4.801 2.175 -0.581 1.00 . A A . 3 ALA CB 1 1
2 159 1 1 3 ALA H H -5.517 1.336 1.816 1.00 . A A . 3 ALA H 1 1
2 160 1 1 3 ALA HA H -5.635 0.240 -1.044 1.00 . A A . 3 ALA HA 1 1
2 161 1 1 3 ALA HB1 H -4.159 2.690 0.159 1.00 . A A . 3 ALA HB1 1 1
2 162 1 1 3 ALA HB2 H -4.304 2.288 -1.564 1.00 . A A . 3 ALA HB2 1 1
2 163 1 1 3 ALA HB3 H -5.751 2.738 -0.647 1.00 . A A . 3 ALA HB3 1 1
2 164 1 1 3 ALA N N -5.785 0.714 1.048 1.00 . A A . 3 ALA N 1 1
2 165 1 1 3 ALA O O -2.958 -0.125 -1.248 1.00 . A A . 3 ALA O 1 1
2 166 1 1 4 . C C -0.671 -0.223 1.011 1.00 . A A . 4 DCY C 1 1
2 167 1 1 4 . CA C -1.883 -1.219 1.149 1.00 . A A . 4 DCY CA 1 1
2 168 1 1 4 . CB C -1.936 -1.865 2.567 1.00 . A A . 4 DCY CB 1 1
2 169 1 1 4 . H H -3.981 -0.701 1.624 1.00 . A A . 4 DCY H 1 1
2 170 1 1 4 . HA H -1.719 -2.023 0.405 1.00 . A A . 4 DCY HA 1 1
2 171 1 1 4 . HB2 H -1.277 -1.335 3.280 1.00 . A A . 4 DCY HB2 1 1
2 172 1 1 4 . HB3 H -2.932 -1.847 3.051 1.00 . A A . 4 DCY HB3 1 1
2 173 1 1 4 . N N -3.242 -0.659 0.917 1.00 . A A . 4 DCY N 1 1
2 174 1 1 4 . O O 0.397 -0.622 0.547 1.00 . A A . 4 DCY O 1 1
2 175 1 1 4 . SG S -1.419 -3.592 2.549 1.00 . A A . 4 DCY SG 1 1
2 176 1 1 5 ARG C C 1.055 1.778 3.044 1.00 . A A . 5 ARG C 1 1
2 177 1 1 5 ARG CA C 0.327 1.979 1.674 1.00 . A A . 5 ARG CA 1 1
2 178 1 1 5 ARG CB C -0.160 3.452 1.509 1.00 . A A . 5 ARG CB 1 1
2 179 1 1 5 ARG CD C -0.490 5.478 -0.024 1.00 . A A . 5 ARG CD 1 1
2 180 1 1 5 ARG CG C -0.173 3.970 0.053 1.00 . A A . 5 ARG CG 1 1
2 181 1 1 5 ARG CZ C -1.033 7.060 -1.895 1.00 . A A . 5 ARG CZ 1 1
2 182 1 1 5 ARG H H -1.780 1.247 1.745 1.00 . A A . 5 ARG H 1 1
2 183 1 1 5 ARG HA H 1.103 1.788 0.905 1.00 . A A . 5 ARG HA 1 1
2 184 1 1 5 ARG HB2 H -1.165 3.580 1.961 1.00 . A A . 5 ARG HB2 1 1
2 185 1 1 5 ARG HB3 H 0.485 4.127 2.107 1.00 . A A . 5 ARG HB3 1 1
2 186 1 1 5 ARG HD2 H -1.289 5.747 0.700 1.00 . A A . 5 ARG HD2 1 1
2 187 1 1 5 ARG HD3 H 0.410 6.049 0.286 1.00 . A A . 5 ARG HD3 1 1
2 188 1 1 5 ARG HE H -1.292 5.099 -2.025 1.00 . A A . 5 ARG HE 1 1
2 189 1 1 5 ARG HG2 H 0.816 3.792 -0.416 1.00 . A A . 5 ARG HG2 1 1
2 190 1 1 5 ARG HG3 H -0.889 3.363 -0.534 1.00 . A A . 5 ARG HG3 1 1
2 191 1 1 5 ARG HH11 H -1.671 8.162 -3.423 1.00 . A A . 5 ARG HH11 1 1
2 192 1 1 5 ARG HH12 H -1.936 6.364 -3.521 1.00 . A A . 5 ARG HH12 1 1
2 193 1 1 5 ARG HH21 H -0.701 9.036 -1.740 1.00 . A A . 5 ARG HH21 1 1
2 194 1 1 5 ARG HH22 H -0.152 7.947 -0.377 1.00 . A A . 5 ARG HH22 1 1
2 195 1 1 5 ARG N N -0.818 1.039 1.463 1.00 . A A . 5 ARG N 1 1
2 196 1 1 5 ARG NE N -0.931 5.826 -1.402 1.00 . A A . 5 ARG NE 1 1
2 197 1 1 5 ARG NH1 N -1.589 7.209 -3.063 1.00 . A A . 5 ARG NH1 1 1
2 198 1 1 5 ARG NH2 N -0.602 8.132 -1.276 1.00 . A A . 5 ARG NH2 1 1
2 199 1 1 5 ARG O O 2.282 1.680 3.078 1.00 . A A . 5 ARG O 1 1
2 200 1 1 6 PHE C C 0.851 0.203 6.097 1.00 . A A . 6 PHE C 1 1
2 201 1 1 6 PHE CA C 0.878 1.662 5.537 1.00 . A A . 6 PHE CA 1 1
2 202 1 1 6 PHE CB C 0.163 2.674 6.487 1.00 . A A . 6 PHE CB 1 1
2 203 1 1 6 PHE CD1 C -0.968 4.708 5.448 1.00 . A A . 6 PHE CD1 1 1
2 204 1 1 6 PHE CD2 C 1.359 4.896 6.073 1.00 . A A . 6 PHE CD2 1 1
2 205 1 1 6 PHE CE1 C -0.929 5.994 4.912 1.00 . A A . 6 PHE CE1 1 1
2 206 1 1 6 PHE CE2 C 1.395 6.183 5.539 1.00 . A A . 6 PHE CE2 1 1
2 207 1 1 6 PHE CG C 0.178 4.147 6.025 1.00 . A A . 6 PHE CG 1 1
2 208 1 1 6 PHE CZ C 0.253 6.729 4.956 1.00 . A A . 6 PHE CZ 1 1
2 209 1 1 6 PHE H H -0.694 1.884 3.988 1.00 . A A . 6 PHE H 1 1
2 210 1 1 6 PHE HA H 1.948 1.952 5.517 1.00 . A A . 6 PHE HA 1 1
2 211 1 1 6 PHE HB2 H -0.877 2.343 6.673 1.00 . A A . 6 PHE HB2 1 1
2 212 1 1 6 PHE HB3 H 0.635 2.619 7.488 1.00 . A A . 6 PHE HB3 1 1
2 213 1 1 6 PHE HD1 H -1.885 4.139 5.389 1.00 . A A . 6 PHE HD1 1 1
2 214 1 1 6 PHE HD2 H 2.257 4.473 6.498 1.00 . A A . 6 PHE HD2 1 1
2 215 1 1 6 PHE HE1 H -1.812 6.417 4.460 1.00 . A A . 6 PHE HE1 1 1
2 216 1 1 6 PHE HE2 H 2.313 6.753 5.565 1.00 . A A . 6 PHE HE2 1 1
2 217 1 1 6 PHE HZ H 0.286 7.724 4.537 1.00 . A A . 6 PHE HZ 1 1
2 218 1 1 6 PHE N N 0.306 1.764 4.159 1.00 . A A . 6 PHE N 1 1
2 219 1 1 6 PHE O O 1.841 -0.248 6.675 1.00 . A A . 6 PHE O 1 1
2 220 1 1 7 PHE C C 0.138 -3.079 5.493 1.00 . A A . 7 PHE C 1 1
2 221 1 1 7 PHE CA C -0.415 -1.934 6.438 1.00 . A A . 7 PHE CA 1 1
2 222 1 1 7 PHE CB C -1.925 -2.133 6.818 1.00 . A A . 7 PHE CB 1 1
2 223 1 1 7 PHE CD1 C -4.050 -0.790 7.246 1.00 . A A . 7 PHE CD1 1 1
2 224 1 1 7 PHE CD2 C -2.106 -0.226 8.561 1.00 . A A . 7 PHE CD2 1 1
2 225 1 1 7 PHE CE1 C -4.754 0.258 7.838 1.00 . A A . 7 PHE CE1 1 1
2 226 1 1 7 PHE CE2 C -2.805 0.833 9.138 1.00 . A A . 7 PHE CE2 1 1
2 227 1 1 7 PHE CG C -2.715 -1.033 7.587 1.00 . A A . 7 PHE CG 1 1
2 228 1 1 7 PHE CZ C -4.126 1.073 8.775 1.00 . A A . 7 PHE CZ 1 1
2 229 1 1 7 PHE H H -1.046 -0.025 5.516 1.00 . A A . 7 PHE H 1 1
2 230 1 1 7 PHE HA H 0.162 -2.034 7.381 1.00 . A A . 7 PHE HA 1 1
2 231 1 1 7 PHE HB2 H -2.468 -2.369 5.882 1.00 . A A . 7 PHE HB2 1 1
2 232 1 1 7 PHE HB3 H -2.009 -3.067 7.407 1.00 . A A . 7 PHE HB3 1 1
2 233 1 1 7 PHE HD1 H -4.551 -1.407 6.513 1.00 . A A . 7 PHE HD1 1 1
2 234 1 1 7 PHE HD2 H -1.075 -0.385 8.838 1.00 . A A . 7 PHE HD2 1 1
2 235 1 1 7 PHE HE1 H -5.784 0.440 7.570 1.00 . A A . 7 PHE HE1 1 1
2 236 1 1 7 PHE HE2 H -2.317 1.472 9.862 1.00 . A A . 7 PHE HE2 1 1
2 237 1 1 7 PHE HZ H -4.667 1.895 9.225 1.00 . A A . 7 PHE HZ 1 1
2 238 1 1 7 PHE N N -0.258 -0.541 5.917 1.00 . A A . 7 PHE N 1 1
2 239 1 1 7 PHE O O -0.284 -4.232 5.613 1.00 . A A . 7 PHE O 1 1
2 240 1 1 8 CYS C C 3.252 -3.887 4.180 1.00 . A A . 8 CYS C 1 1
2 241 1 1 8 CYS CA C 1.776 -3.768 3.712 1.00 . A A . 8 CYS CA 1 1
2 242 1 1 8 CYS CB C 1.694 -3.294 2.239 1.00 . A A . 8 CYS CB 1 1
2 243 1 1 8 CYS H H 1.396 -1.801 4.632 1.00 . A A . 8 CYS H 1 1
2 244 1 1 8 CYS HA H 1.312 -4.772 3.782 1.00 . A A . 8 CYS HA 1 1
2 245 1 1 8 CYS HB2 H 1.787 -2.195 2.149 1.00 . A A . 8 CYS HB2 1 1
2 246 1 1 8 CYS HB3 H 2.534 -3.699 1.642 1.00 . A A . 8 CYS HB3 1 1
2 247 1 1 8 CYS N N 1.085 -2.779 4.578 1.00 . A A . 8 CYS N 1 1
2 248 1 1 8 CYS O O 4.195 -2.944 3.937 1.00 . A A . 8 CYS O 1 1
2 249 1 1 8 CYS OXT O 3.496 -5.040 4.861 1.00 . A A . 8 CYS OXT 1 1
2 250 1 1 8 CYS SG S 0.191 -3.826 1.395 1.00 . A A . 8 CYS SG 1 1
3 251 1 1 1 ACE C C -8.017 -2.353 3.941 1.00 . A A . 1 ACE C 1 1
3 252 1 1 1 ACE CH3 C -7.643 -3.759 4.382 1.00 . A A . 1 ACE CH3 1 1
3 253 1 1 1 ACE H1 H -6.619 -4.066 4.102 1.00 . A A . 1 ACE H1 1 1
3 254 1 1 1 ACE H2 H -7.728 -3.847 5.480 1.00 . A A . 1 ACE H2 1 1
3 255 1 1 1 ACE H3 H -8.340 -4.492 3.940 1.00 . A A . 1 ACE H3 1 1
3 256 1 1 1 ACE O O -9.155 -1.924 4.126 1.00 . A A . 1 ACE O 1 1
3 257 1 1 2 ARG C C -6.727 -0.220 1.336 1.00 . A A . 2 ARG C 1 1
3 258 1 1 2 ARG CA C -7.257 -0.270 2.816 1.00 . A A . 2 ARG CA 1 1
3 259 1 1 2 ARG CB C -6.659 0.717 3.875 1.00 . A A . 2 ARG CB 1 1
3 260 1 1 2 ARG CD C -8.085 2.828 4.522 1.00 . A A . 2 ARG CD 1 1
3 261 1 1 2 ARG CG C -6.943 2.235 3.674 1.00 . A A . 2 ARG CG 1 1
3 262 1 1 2 ARG CZ C -10.574 2.579 4.680 1.00 . A A . 2 ARG CZ 1 1
3 263 1 1 2 ARG H H -6.184 -2.179 3.226 1.00 . A A . 2 ARG H 1 1
3 264 1 1 2 ARG HA H -8.341 -0.062 2.730 1.00 . A A . 2 ARG HA 1 1
3 265 1 1 2 ARG HB2 H -7.001 0.428 4.890 1.00 . A A . 2 ARG HB2 1 1
3 266 1 1 2 ARG HB3 H -5.563 0.559 3.923 1.00 . A A . 2 ARG HB3 1 1
3 267 1 1 2 ARG HD2 H -7.911 2.585 5.591 1.00 . A A . 2 ARG HD2 1 1
3 268 1 1 2 ARG HD3 H -8.040 3.936 4.452 1.00 . A A . 2 ARG HD3 1 1
3 269 1 1 2 ARG HE H -9.502 1.771 3.221 1.00 . A A . 2 ARG HE 1 1
3 270 1 1 2 ARG HG2 H -6.021 2.788 3.945 1.00 . A A . 2 ARG HG2 1 1
3 271 1 1 2 ARG HG3 H -7.101 2.495 2.609 1.00 . A A . 2 ARG HG3 1 1
3 272 1 1 2 ARG HH11 H -12.531 2.242 4.668 1.00 . A A . 2 ARG HH11 1 1
3 273 1 1 2 ARG HH12 H -11.548 1.490 3.335 1.00 . A A . 2 ARG HH12 1 1
3 274 1 1 2 ARG HH21 H -11.608 3.423 6.185 1.00 . A A . 2 ARG HH21 1 1
3 275 1 1 2 ARG HH22 H -9.797 3.680 6.109 1.00 . A A . 2 ARG HH22 1 1
3 276 1 1 2 ARG N N -7.044 -1.642 3.367 1.00 . A A . 2 ARG N 1 1
3 277 1 1 2 ARG NE N -9.417 2.350 4.061 1.00 . A A . 2 ARG NE 1 1
3 278 1 1 2 ARG NH1 N -11.656 2.061 4.176 1.00 . A A . 2 ARG NH1 1 1
3 279 1 1 2 ARG NH2 N -10.683 3.300 5.769 1.00 . A A . 2 ARG NH2 1 1
3 280 1 1 2 ARG O O -7.106 -1.057 0.514 1.00 . A A . 2 ARG O 1 1
3 281 1 1 3 ALA C C -3.686 -0.087 -0.238 1.00 . A A . 3 ALA C 1 1
3 282 1 1 3 ALA CA C -5.051 0.694 -0.281 1.00 . A A . 3 ALA CA 1 1
3 283 1 1 3 ALA CB C -4.818 2.178 -0.634 1.00 . A A . 3 ALA CB 1 1
3 284 1 1 3 ALA H H -5.627 1.396 1.731 1.00 . A A . 3 ALA H 1 1
3 285 1 1 3 ALA HA H -5.650 0.239 -1.098 1.00 . A A . 3 ALA HA 1 1
3 286 1 1 3 ALA HB1 H -5.767 2.734 -0.750 1.00 . A A . 3 ALA HB1 1 1
3 287 1 1 3 ALA HB2 H -4.214 2.703 0.132 1.00 . A A . 3 ALA HB2 1 1
3 288 1 1 3 ALA HB3 H -4.277 2.281 -1.592 1.00 . A A . 3 ALA HB3 1 1
3 289 1 1 3 ALA N N -5.846 0.733 0.983 1.00 . A A . 3 ALA N 1 1
3 290 1 1 3 ALA O O -2.994 -0.172 -1.255 1.00 . A A . 3 ALA O 1 1
3 291 1 1 4 . C C -0.702 -0.232 1.029 1.00 . A A . 4 DCY C 1 1
3 292 1 1 4 . CA C -1.935 -1.202 1.170 1.00 . A A . 4 DCY CA 1 1
3 293 1 1 4 . CB C -2.009 -1.850 2.585 1.00 . A A . 4 DCY CB 1 1
3 294 1 1 4 . H H -4.015 -0.615 1.640 1.00 . A A . 4 DCY H 1 1
3 295 1 1 4 . HA H -1.790 -2.010 0.427 1.00 . A A . 4 DCY HA 1 1
3 296 1 1 4 . HB2 H -1.412 -1.285 3.326 1.00 . A A . 4 DCY HB2 1 1
3 297 1 1 4 . HB3 H -3.026 -1.890 3.022 1.00 . A A . 4 DCY HB3 1 1
3 298 1 1 4 . N N -3.275 -0.602 0.935 1.00 . A A . 4 DCY N 1 1
3 299 1 1 4 . O O 0.351 -0.646 0.545 1.00 . A A . 4 DCY O 1 1
3 300 1 1 4 . SG S -1.411 -3.550 2.583 1.00 . A A . 4 DCY SG 1 1
3 301 1 1 5 ARG C C 1.089 1.771 3.040 1.00 . A A . 5 ARG C 1 1
3 302 1 1 5 ARG CA C 0.341 1.956 1.678 1.00 . A A . 5 ARG CA 1 1
3 303 1 1 5 ARG CB C -0.132 3.432 1.496 1.00 . A A . 5 ARG CB 1 1
3 304 1 1 5 ARG CD C -0.494 5.426 -0.069 1.00 . A A . 5 ARG CD 1 1
3 305 1 1 5 ARG CG C -0.188 3.919 0.031 1.00 . A A . 5 ARG CG 1 1
3 306 1 1 5 ARG CZ C -1.044 6.987 -1.958 1.00 . A A . 5 ARG CZ 1 1
3 307 1 1 5 ARG H H -1.778 1.262 1.768 1.00 . A A . 5 ARG H 1 1
3 308 1 1 5 ARG HA H 1.105 1.746 0.900 1.00 . A A . 5 ARG HA 1 1
3 309 1 1 5 ARG HB2 H -1.119 3.582 1.979 1.00 . A A . 5 ARG HB2 1 1
3 310 1 1 5 ARG HB3 H 0.541 4.110 2.057 1.00 . A A . 5 ARG HB3 1 1
3 311 1 1 5 ARG HD2 H -1.286 5.712 0.655 1.00 . A A . 5 ARG HD2 1 1
3 312 1 1 5 ARG HD3 H 0.412 5.996 0.226 1.00 . A A . 5 ARG HD3 1 1
3 313 1 1 5 ARG HE H -1.303 5.024 -2.064 1.00 . A A . 5 ARG HE 1 1
3 314 1 1 5 ARG HG2 H 0.784 3.720 -0.467 1.00 . A A . 5 ARG HG2 1 1
3 315 1 1 5 ARG HG3 H -0.930 3.308 -0.522 1.00 . A A . 5 ARG HG3 1 1
3 316 1 1 5 ARG HH11 H -1.687 8.072 -3.495 1.00 . A A . 5 ARG HH11 1 1
3 317 1 1 5 ARG HH12 H -1.955 6.274 -3.573 1.00 . A A . 5 ARG HH12 1 1
3 318 1 1 5 ARG HH21 H -0.709 8.964 -1.827 1.00 . A A . 5 ARG HH21 1 1
3 319 1 1 5 ARG HH22 H -0.155 7.891 -0.456 1.00 . A A . 5 ARG HH22 1 1
3 320 1 1 5 ARG N N -0.819 1.030 1.492 1.00 . A A . 5 ARG N 1 1
3 321 1 1 5 ARG NE N -0.941 5.759 -1.450 1.00 . A A . 5 ARG NE 1 1
3 322 1 1 5 ARG NH1 N -1.604 7.123 -3.124 1.00 . A A . 5 ARG NH1 1 1
3 323 1 1 5 ARG NH2 N -0.609 8.065 -1.353 1.00 . A A . 5 ARG NH2 1 1
3 324 1 1 5 ARG O O 2.320 1.734 3.063 1.00 . A A . 5 ARG O 1 1
3 325 1 1 6 PHE C C 0.888 0.176 6.117 1.00 . A A . 6 PHE C 1 1
3 326 1 1 6 PHE CA C 0.931 1.627 5.538 1.00 . A A . 6 PHE CA 1 1
3 327 1 1 6 PHE CB C 0.230 2.666 6.470 1.00 . A A . 6 PHE CB 1 1
3 328 1 1 6 PHE CD1 C -0.922 4.681 5.415 1.00 . A A . 6 PHE CD1 1 1
3 329 1 1 6 PHE CD2 C 1.420 4.876 5.973 1.00 . A A . 6 PHE CD2 1 1
3 330 1 1 6 PHE CE1 C -0.894 5.956 4.853 1.00 . A A . 6 PHE CE1 1 1
3 331 1 1 6 PHE CE2 C 1.445 6.151 5.412 1.00 . A A . 6 PHE CE2 1 1
3 332 1 1 6 PHE CG C 0.236 4.129 5.973 1.00 . A A . 6 PHE CG 1 1
3 333 1 1 6 PHE CZ C 0.291 6.688 4.851 1.00 . A A . 6 PHE CZ 1 1
3 334 1 1 6 PHE H H -0.655 1.763 3.990 1.00 . A A . 6 PHE H 1 1
3 335 1 1 6 PHE HA H 2.006 1.905 5.509 1.00 . A A . 6 PHE HA 1 1
3 336 1 1 6 PHE HB2 H -0.808 2.340 6.676 1.00 . A A . 6 PHE HB2 1 1
3 337 1 1 6 PHE HB3 H 0.714 2.635 7.466 1.00 . A A . 6 PHE HB3 1 1
3 338 1 1 6 PHE HD1 H -1.843 4.114 5.392 1.00 . A A . 6 PHE HD1 1 1
3 339 1 1 6 PHE HD2 H 2.329 4.457 6.384 1.00 . A A . 6 PHE HD2 1 1
3 340 1 1 6 PHE HE1 H -1.789 6.374 4.416 1.00 . A A . 6 PHE HE1 1 1
3 341 1 1 6 PHE HE2 H 2.365 6.718 5.404 1.00 . A A . 6 PHE HE2 1 1
3 342 1 1 6 PHE HZ H 0.313 7.676 4.411 1.00 . A A . 6 PHE HZ 1 1
3 343 1 1 6 PHE N N 0.351 1.711 4.161 1.00 . A A . 6 PHE N 1 1
3 344 1 1 6 PHE O O 1.886 -0.307 6.655 1.00 . A A . 6 PHE O 1 1
3 345 1 1 7 PHE C C 0.179 -3.076 5.529 1.00 . A A . 7 PHE C 1 1
3 346 1 1 7 PHE CA C -0.439 -1.938 6.445 1.00 . A A . 7 PHE CA 1 1
3 347 1 1 7 PHE CB C -1.979 -2.150 6.673 1.00 . A A . 7 PHE CB 1 1
3 348 1 1 7 PHE CD1 C -3.477 -0.085 6.674 1.00 . A A . 7 PHE CD1 1 1
3 349 1 1 7 PHE CD2 C -2.717 -0.927 8.807 1.00 . A A . 7 PHE CD2 1 1
3 350 1 1 7 PHE CE1 C -4.077 0.996 7.311 1.00 . A A . 7 PHE CE1 1 1
3 351 1 1 7 PHE CE2 C -3.327 0.154 9.445 1.00 . A A . 7 PHE CE2 1 1
3 352 1 1 7 PHE CG C -2.781 -1.050 7.415 1.00 . A A . 7 PHE CG 1 1
3 353 1 1 7 PHE CZ C -4.001 1.115 8.697 1.00 . A A . 7 PHE CZ 1 1
3 354 1 1 7 PHE H H -1.037 0.027 5.640 1.00 . A A . 7 PHE H 1 1
3 355 1 1 7 PHE HA H 0.054 -2.049 7.432 1.00 . A A . 7 PHE HA 1 1
3 356 1 1 7 PHE HB2 H -2.460 -2.347 5.695 1.00 . A A . 7 PHE HB2 1 1
3 357 1 1 7 PHE HB3 H -2.120 -3.106 7.215 1.00 . A A . 7 PHE HB3 1 1
3 358 1 1 7 PHE HD1 H -3.522 -0.152 5.596 1.00 . A A . 7 PHE HD1 1 1
3 359 1 1 7 PHE HD2 H -2.170 -1.650 9.395 1.00 . A A . 7 PHE HD2 1 1
3 360 1 1 7 PHE HE1 H -4.589 1.752 6.734 1.00 . A A . 7 PHE HE1 1 1
3 361 1 1 7 PHE HE2 H -3.265 0.253 10.520 1.00 . A A . 7 PHE HE2 1 1
3 362 1 1 7 PHE HZ H -4.456 1.962 9.192 1.00 . A A . 7 PHE HZ 1 1
3 363 1 1 7 PHE N N -0.248 -0.530 5.974 1.00 . A A . 7 PHE N 1 1
3 364 1 1 7 PHE O O -0.139 -4.252 5.715 1.00 . A A . 7 PHE O 1 1
3 365 1 1 8 CYS C C 3.277 -3.881 4.182 1.00 . A A . 8 CYS C 1 1
3 366 1 1 8 CYS CA C 1.798 -3.710 3.705 1.00 . A A . 8 CYS CA 1 1
3 367 1 1 8 CYS CB C 1.691 -3.176 2.250 1.00 . A A . 8 CYS CB 1 1
3 368 1 1 8 CYS H H 1.330 -1.754 4.609 1.00 . A A . 8 CYS H 1 1
3 369 1 1 8 CYS HA H 1.338 -4.717 3.744 1.00 . A A . 8 CYS HA 1 1
3 370 1 1 8 CYS HB2 H 1.753 -2.072 2.195 1.00 . A A . 8 CYS HB2 1 1
3 371 1 1 8 CYS HB3 H 2.526 -3.532 1.620 1.00 . A A . 8 CYS HB3 1 1
3 372 1 1 8 CYS N N 1.054 -2.740 4.556 1.00 . A A . 8 CYS N 1 1
3 373 1 1 8 CYS O O 3.736 -3.436 5.376 1.00 . A A . 8 CYS O 1 1
3 374 1 1 8 CYS OXT O 4.058 -4.527 3.265 1.00 . A A . 8 CYS OXT 1 1
3 375 1 1 8 CYS SG S 0.193 -3.730 1.411 1.00 . A A . 8 CYS SG 1 1
4 376 1 1 1 ACE C C -8.004 -2.377 3.987 1.00 . A A . 1 ACE C 1 1
4 377 1 1 1 ACE CH3 C -7.598 -3.772 4.436 1.00 . A A . 1 ACE CH3 1 1
4 378 1 1 1 ACE H1 H -6.597 -4.086 4.087 1.00 . A A . 1 ACE H1 1 1
4 379 1 1 1 ACE H2 H -7.605 -3.833 5.539 1.00 . A A . 1 ACE H2 1 1
4 380 1 1 1 ACE H3 H -8.325 -4.514 4.061 1.00 . A A . 1 ACE H3 1 1
4 381 1 1 1 ACE O O -9.140 -1.964 4.209 1.00 . A A . 1 ACE O 1 1
4 382 1 1 2 ARG C C -6.720 -0.260 1.331 1.00 . A A . 2 ARG C 1 1
4 383 1 1 2 ARG CA C -7.330 -0.312 2.779 1.00 . A A . 2 ARG CA 1 1
4 384 1 1 2 ARG CB C -6.882 0.740 3.851 1.00 . A A . 2 ARG CB 1 1
4 385 1 1 2 ARG CD C -8.043 3.002 4.528 1.00 . A A . 2 ARG CD 1 1
4 386 1 1 2 ARG CG C -7.158 2.235 3.520 1.00 . A A . 2 ARG CG 1 1
4 387 1 1 2 ARG CZ C -6.553 4.149 6.208 1.00 . A A . 2 ARG CZ 1 1
4 388 1 1 2 ARG H H -6.208 -2.192 3.193 1.00 . A A . 2 ARG H 1 1
4 389 1 1 2 ARG HA H -8.420 -0.177 2.622 1.00 . A A . 2 ARG HA 1 1
4 390 1 1 2 ARG HB2 H -7.374 0.484 4.812 1.00 . A A . 2 ARG HB2 1 1
4 391 1 1 2 ARG HB3 H -5.804 0.608 4.071 1.00 . A A . 2 ARG HB3 1 1
4 392 1 1 2 ARG HD2 H -8.359 3.976 4.097 1.00 . A A . 2 ARG HD2 1 1
4 393 1 1 2 ARG HD3 H -9.001 2.455 4.646 1.00 . A A . 2 ARG HD3 1 1
4 394 1 1 2 ARG HE H -7.703 2.594 6.657 1.00 . A A . 2 ARG HE 1 1
4 395 1 1 2 ARG HG2 H -6.193 2.765 3.395 1.00 . A A . 2 ARG HG2 1 1
4 396 1 1 2 ARG HG3 H -7.644 2.320 2.528 1.00 . A A . 2 ARG HG3 1 1
4 397 1 1 2 ARG HH11 H -5.525 4.984 7.692 1.00 . A A . 2 ARG HH11 1 1
4 398 1 1 2 ARG HH12 H -6.600 3.573 8.107 1.00 . A A . 2 ARG HH12 1 1
4 399 1 1 2 ARG HH21 H -5.410 5.722 5.696 1.00 . A A . 2 ARG HH21 1 1
4 400 1 1 2 ARG HH22 H -6.410 4.896 4.402 1.00 . A A . 2 ARG HH22 1 1
4 401 1 1 2 ARG N N -7.064 -1.659 3.369 1.00 . A A . 2 ARG N 1 1
4 402 1 1 2 ARG NE N -7.419 3.188 5.873 1.00 . A A . 2 ARG NE 1 1
4 403 1 1 2 ARG NH1 N -6.176 4.233 7.451 1.00 . A A . 2 ARG NH1 1 1
4 404 1 1 2 ARG NH2 N -6.058 5.011 5.354 1.00 . A A . 2 ARG NH2 1 1
4 405 1 1 2 ARG O O -7.037 -1.114 0.499 1.00 . A A . 2 ARG O 1 1
4 406 1 1 3 ALA C C -3.670 -0.054 -0.223 1.00 . A A . 3 ALA C 1 1
4 407 1 1 3 ALA CA C -5.041 0.714 -0.247 1.00 . A A . 3 ALA CA 1 1
4 408 1 1 3 ALA CB C -4.823 2.207 -0.566 1.00 . A A . 3 ALA CB 1 1
4 409 1 1 3 ALA H H -5.685 1.390 1.759 1.00 . A A . 3 ALA H 1 1
4 410 1 1 3 ALA HA H -5.633 0.275 -1.076 1.00 . A A . 3 ALA HA 1 1
4 411 1 1 3 ALA HB1 H -5.776 2.764 -0.647 1.00 . A A . 3 ALA HB1 1 1
4 412 1 1 3 ALA HB2 H -4.201 2.715 0.195 1.00 . A A . 3 ALA HB2 1 1
4 413 1 1 3 ALA HB3 H -4.306 2.335 -1.537 1.00 . A A . 3 ALA HB3 1 1
4 414 1 1 3 ALA N N -5.847 0.710 1.012 1.00 . A A . 3 ALA N 1 1
4 415 1 1 3 ALA O O -2.983 -0.120 -1.246 1.00 . A A . 3 ALA O 1 1
4 416 1 1 4 . C C -0.669 -0.220 1.023 1.00 . A A . 4 DCY C 1 1
4 417 1 1 4 . CA C -1.905 -1.185 1.157 1.00 . A A . 4 DCY CA 1 1
4 418 1 1 4 . CB C -1.972 -1.852 2.563 1.00 . A A . 4 DCY CB 1 1
4 419 1 1 4 . H H -3.987 -0.613 1.647 1.00 . A A . 4 DCY H 1 1
4 420 1 1 4 . HA H -1.768 -1.983 0.401 1.00 . A A . 4 DCY HA 1 1
4 421 1 1 4 . HB2 H -1.357 -1.307 3.304 1.00 . A A . 4 DCY HB2 1 1
4 422 1 1 4 . HB3 H -2.983 -1.882 3.013 1.00 . A A . 4 DCY HB3 1 1
4 423 1 1 4 . N N -3.246 -0.579 0.940 1.00 . A A . 4 DCY N 1 1
4 424 1 1 4 . O O 0.391 -0.642 0.562 1.00 . A A . 4 DCY O 1 1
4 425 1 1 4 . SG S -1.403 -3.562 2.530 1.00 . A A . 4 DCY SG 1 1
4 426 1 1 5 ARG C C 1.113 1.800 3.033 1.00 . A A . 5 ARG C 1 1
4 427 1 1 5 ARG CA C 0.376 1.971 1.662 1.00 . A A . 5 ARG CA 1 1
4 428 1 1 5 ARG CB C -0.096 3.447 1.477 1.00 . A A . 5 ARG CB 1 1
4 429 1 1 5 ARG CD C -0.455 5.444 -0.084 1.00 . A A . 5 ARG CD 1 1
4 430 1 1 5 ARG CG C -0.166 3.932 0.012 1.00 . A A . 5 ARG CG 1 1
4 431 1 1 5 ARG CZ C -1.013 7.019 -1.957 1.00 . A A . 5 ARG CZ 1 1
4 432 1 1 5 ARG H H -1.752 1.288 1.718 1.00 . A A . 5 ARG H 1 1
4 433 1 1 5 ARG HA H 1.145 1.760 0.892 1.00 . A A . 5 ARG HA 1 1
4 434 1 1 5 ARG HB2 H -1.076 3.601 1.971 1.00 . A A . 5 ARG HB2 1 1
4 435 1 1 5 ARG HB3 H 0.587 4.125 2.027 1.00 . A A . 5 ARG HB3 1 1
4 436 1 1 5 ARG HD2 H -1.232 5.739 0.651 1.00 . A A . 5 ARG HD2 1 1
4 437 1 1 5 ARG HD3 H 0.463 6.000 0.201 1.00 . A A . 5 ARG HD3 1 1
4 438 1 1 5 ARG HE H -1.287 5.058 -2.072 1.00 . A A . 5 ARG HE 1 1
4 439 1 1 5 ARG HG2 H 0.794 3.719 -0.501 1.00 . A A . 5 ARG HG2 1 1
4 440 1 1 5 ARG HG3 H -0.925 3.331 -0.529 1.00 . A A . 5 ARG HG3 1 1
4 441 1 1 5 ARG HH11 H -1.665 8.119 -3.479 1.00 . A A . 5 ARG HH11 1 1
4 442 1 1 5 ARG HH12 H -1.948 6.325 -3.564 1.00 . A A . 5 ARG HH12 1 1
4 443 1 1 5 ARG HH21 H -0.658 8.993 -1.818 1.00 . A A . 5 ARG HH21 1 1
4 444 1 1 5 ARG HH22 H -0.095 7.906 -0.460 1.00 . A A . 5 ARG HH22 1 1
4 445 1 1 5 ARG N N -0.788 1.049 1.468 1.00 . A A . 5 ARG N 1 1
4 446 1 1 5 ARG NE N -0.914 5.786 -1.456 1.00 . A A . 5 ARG NE 1 1
4 447 1 1 5 ARG NH1 N -1.587 7.168 -3.116 1.00 . A A . 5 ARG NH1 1 1
4 448 1 1 5 ARG NH2 N -0.561 8.090 -1.349 1.00 . A A . 5 ARG NH2 1 1
4 449 1 1 5 ARG O O 2.343 1.814 3.075 1.00 . A A . 5 ARG O 1 1
4 450 1 1 6 PHE C C 0.889 0.183 6.105 1.00 . A A . 6 PHE C 1 1
4 451 1 1 6 PHE CA C 0.920 1.637 5.528 1.00 . A A . 6 PHE CA 1 1
4 452 1 1 6 PHE CB C 0.176 2.661 6.443 1.00 . A A . 6 PHE CB 1 1
4 453 1 1 6 PHE CD1 C 1.318 4.937 6.200 1.00 . A A . 6 PHE CD1 1 1
4 454 1 1 6 PHE CD2 C -0.868 4.636 5.216 1.00 . A A . 6 PHE CD2 1 1
4 455 1 1 6 PHE CE1 C 1.372 6.227 5.677 1.00 . A A . 6 PHE CE1 1 1
4 456 1 1 6 PHE CE2 C -0.809 5.925 4.689 1.00 . A A . 6 PHE CE2 1 1
4 457 1 1 6 PHE CG C 0.198 4.130 5.968 1.00 . A A . 6 PHE CG 1 1
4 458 1 1 6 PHE CZ C 0.311 6.718 4.920 1.00 . A A . 6 PHE CZ 1 1
4 459 1 1 6 PHE H H -0.642 1.672 3.949 1.00 . A A . 6 PHE H 1 1
4 460 1 1 6 PHE HA H 1.989 1.935 5.520 1.00 . A A . 6 PHE HA 1 1
4 461 1 1 6 PHE HB2 H -0.872 2.335 6.599 1.00 . A A . 6 PHE HB2 1 1
4 462 1 1 6 PHE HB3 H 0.614 2.613 7.459 1.00 . A A . 6 PHE HB3 1 1
4 463 1 1 6 PHE HD1 H 2.157 4.558 6.766 1.00 . A A . 6 PHE HD1 1 1
4 464 1 1 6 PHE HD2 H -1.731 4.019 5.009 1.00 . A A . 6 PHE HD2 1 1
4 465 1 1 6 PHE HE1 H 2.242 6.844 5.853 1.00 . A A . 6 PHE HE1 1 1
4 466 1 1 6 PHE HE2 H -1.625 6.304 4.093 1.00 . A A . 6 PHE HE2 1 1
4 467 1 1 6 PHE HZ H 0.362 7.717 4.508 1.00 . A A . 6 PHE HZ 1 1
4 468 1 1 6 PHE N N 0.363 1.701 4.142 1.00 . A A . 6 PHE N 1 1
4 469 1 1 6 PHE O O 1.894 -0.302 6.626 1.00 . A A . 6 PHE O 1 1
4 470 1 1 7 PHE C C 0.167 -3.069 5.537 1.00 . A A . 7 PHE C 1 1
4 471 1 1 7 PHE CA C -0.437 -1.927 6.455 1.00 . A A . 7 PHE CA 1 1
4 472 1 1 7 PHE CB C -1.974 -2.140 6.705 1.00 . A A . 7 PHE CB 1 1
4 473 1 1 7 PHE CD1 C -3.498 -0.096 6.687 1.00 . A A . 7 PHE CD1 1 1
4 474 1 1 7 PHE CD2 C -2.658 -0.854 8.822 1.00 . A A . 7 PHE CD2 1 1
4 475 1 1 7 PHE CE1 C -4.085 1.004 7.308 1.00 . A A . 7 PHE CE1 1 1
4 476 1 1 7 PHE CE2 C -3.252 0.243 9.442 1.00 . A A . 7 PHE CE2 1 1
4 477 1 1 7 PHE CG C -2.769 -1.027 7.438 1.00 . A A . 7 PHE CG 1 1
4 478 1 1 7 PHE CZ C -3.960 1.174 8.685 1.00 . A A . 7 PHE CZ 1 1
4 479 1 1 7 PHE H H -1.045 0.035 5.657 1.00 . A A . 7 PHE H 1 1
4 480 1 1 7 PHE HA H 0.069 -2.034 7.437 1.00 . A A . 7 PHE HA 1 1
4 481 1 1 7 PHE HB2 H -2.465 -2.354 5.737 1.00 . A A . 7 PHE HB2 1 1
4 482 1 1 7 PHE HB3 H -2.107 -3.086 7.266 1.00 . A A . 7 PHE HB3 1 1
4 483 1 1 7 PHE HD1 H -3.580 -0.202 5.615 1.00 . A A . 7 PHE HD1 1 1
4 484 1 1 7 PHE HD2 H -2.082 -1.551 9.415 1.00 . A A . 7 PHE HD2 1 1
4 485 1 1 7 PHE HE1 H -4.621 1.731 6.717 1.00 . A A . 7 PHE HE1 1 1
4 486 1 1 7 PHE HE2 H -3.152 0.381 10.510 1.00 . A A . 7 PHE HE2 1 1
4 487 1 1 7 PHE HZ H -4.401 2.033 9.169 1.00 . A A . 7 PHE HZ 1 1
4 488 1 1 7 PHE N N -0.249 -0.524 5.975 1.00 . A A . 7 PHE N 1 1
4 489 1 1 7 PHE O O -0.151 -4.243 5.740 1.00 . A A . 7 PHE O 1 1
4 490 1 1 8 CYS C C 3.221 -3.905 4.184 1.00 . A A . 8 CYS C 1 1
4 491 1 1 8 CYS CA C 1.755 -3.730 3.700 1.00 . A A . 8 CYS CA 1 1
4 492 1 1 8 CYS CB C 1.707 -3.244 2.230 1.00 . A A . 8 CYS CB 1 1
4 493 1 1 8 CYS H H 1.302 -1.757 4.571 1.00 . A A . 8 CYS H 1 1
4 494 1 1 8 CYS HA H 1.280 -4.729 3.750 1.00 . A A . 8 CYS HA 1 1
4 495 1 1 8 CYS HB2 H 1.816 -2.144 2.153 1.00 . A A . 8 CYS HB2 1 1
4 496 1 1 8 CYS HB3 H 2.549 -3.656 1.642 1.00 . A A . 8 CYS HB3 1 1
4 497 1 1 8 CYS N N 1.034 -2.746 4.553 1.00 . A A . 8 CYS N 1 1
4 498 1 1 8 CYS O O 3.723 -5.087 4.617 1.00 . A A . 8 CYS O 1 1
4 499 1 1 8 CYS OXT O 3.956 -2.752 4.132 1.00 . A A . 8 CYS OXT 1 1
4 500 1 1 8 CYS SG S 0.206 -3.747 1.366 1.00 . A A . 8 CYS SG 1 1
5 501 1 1 1 ACE C C -8.017 -2.375 3.919 1.00 . A A . 1 ACE C 1 1
5 502 1 1 1 ACE CH3 C -7.619 -3.773 4.362 1.00 . A A . 1 ACE CH3 1 1
5 503 1 1 1 ACE H1 H -6.888 -4.250 3.683 1.00 . A A . 1 ACE H1 1 1
5 504 1 1 1 ACE H2 H -7.186 -3.753 5.377 1.00 . A A . 1 ACE H2 1 1
5 505 1 1 1 ACE H3 H -8.506 -4.431 4.394 1.00 . A A . 1 ACE H3 1 1
5 506 1 1 1 ACE O O -9.164 -1.964 4.085 1.00 . A A . 1 ACE O 1 1
5 507 1 1 2 ARG C C -6.701 -0.232 1.342 1.00 . A A . 2 ARG C 1 1
5 508 1 1 2 ARG CA C -7.264 -0.283 2.811 1.00 . A A . 2 ARG CA 1 1
5 509 1 1 2 ARG CB C -6.707 0.718 3.880 1.00 . A A . 2 ARG CB 1 1
5 510 1 1 2 ARG CD C -8.022 2.889 4.555 1.00 . A A . 2 ARG CD 1 1
5 511 1 1 2 ARG CG C -6.975 2.232 3.638 1.00 . A A . 2 ARG CG 1 1
5 512 1 1 2 ARG CZ C -10.521 2.896 4.755 1.00 . A A . 2 ARG CZ 1 1
5 513 1 1 2 ARG H H -6.175 -2.179 3.243 1.00 . A A . 2 ARG H 1 1
5 514 1 1 2 ARG HA H -8.349 -0.089 2.700 1.00 . A A . 2 ARG HA 1 1
5 515 1 1 2 ARG HB2 H -7.100 0.441 4.880 1.00 . A A . 2 ARG HB2 1 1
5 516 1 1 2 ARG HB3 H -5.615 0.556 3.984 1.00 . A A . 2 ARG HB3 1 1
5 517 1 1 2 ARG HD2 H -7.803 2.644 5.617 1.00 . A A . 2 ARG HD2 1 1
5 518 1 1 2 ARG HD3 H -7.922 3.992 4.470 1.00 . A A . 2 ARG HD3 1 1
5 519 1 1 2 ARG HE H -9.550 1.808 3.411 1.00 . A A . 2 ARG HE 1 1
5 520 1 1 2 ARG HG2 H -6.021 2.772 3.792 1.00 . A A . 2 ARG HG2 1 1
5 521 1 1 2 ARG HG3 H -7.227 2.449 2.580 1.00 . A A . 2 ARG HG3 1 1
5 522 1 1 2 ARG HH11 H -12.506 2.796 4.749 1.00 . A A . 2 ARG HH11 1 1
5 523 1 1 2 ARG HH12 H -11.617 1.805 3.508 1.00 . A A . 2 ARG HH12 1 1
5 524 1 1 2 ARG HH21 H -11.447 4.004 6.155 1.00 . A A . 2 ARG HH21 1 1
5 525 1 1 2 ARG HH22 H -9.620 4.032 6.081 1.00 . A A . 2 ARG HH22 1 1
5 526 1 1 2 ARG N N -7.042 -1.650 3.372 1.00 . A A . 2 ARG N 1 1
5 527 1 1 2 ARG NE N -9.398 2.471 4.175 1.00 . A A . 2 ARG NE 1 1
5 528 1 1 2 ARG NH1 N -11.656 2.458 4.295 1.00 . A A . 2 ARG NH1 1 1
5 529 1 1 2 ARG NH2 N -10.544 3.733 5.764 1.00 . A A . 2 ARG NH2 1 1
5 530 1 1 2 ARG O O -7.054 -1.074 0.515 1.00 . A A . 2 ARG O 1 1
5 531 1 1 3 ALA C C -3.662 -0.073 -0.216 1.00 . A A . 3 ALA C 1 1
5 532 1 1 3 ALA CA C -5.024 0.713 -0.253 1.00 . A A . 3 ALA CA 1 1
5 533 1 1 3 ALA CB C -4.790 2.201 -0.579 1.00 . A A . 3 ALA CB 1 1
5 534 1 1 3 ALA H H -5.629 1.399 1.757 1.00 . A A . 3 ALA H 1 1
5 535 1 1 3 ALA HA H -5.618 0.273 -1.080 1.00 . A A . 3 ALA HA 1 1
5 536 1 1 3 ALA HB1 H -4.226 2.321 -1.523 1.00 . A A . 3 ALA HB1 1 1
5 537 1 1 3 ALA HB2 H -5.740 2.754 -0.712 1.00 . A A . 3 ALA HB2 1 1
5 538 1 1 3 ALA HB3 H -4.208 2.722 0.207 1.00 . A A . 3 ALA HB3 1 1
5 539 1 1 3 ALA N N -5.828 0.732 1.007 1.00 . A A . 3 ALA N 1 1
5 540 1 1 3 ALA O O -2.965 -0.139 -1.230 1.00 . A A . 3 ALA O 1 1
5 541 1 1 4 . C C -0.688 -0.217 1.056 1.00 . A A . 4 DCY C 1 1
5 542 1 1 4 . CA C -1.911 -1.200 1.184 1.00 . A A . 4 DCY CA 1 1
5 543 1 1 4 . CB C -1.979 -1.859 2.595 1.00 . A A . 4 DCY CB 1 1
5 544 1 1 4 . H H -3.992 -0.616 1.661 1.00 . A A . 4 DCY H 1 1
5 545 1 1 4 . HA H -1.755 -2.001 0.436 1.00 . A A . 4 DCY HA 1 1
5 546 1 1 4 . HB2 H -1.363 -1.312 3.333 1.00 . A A . 4 DCY HB2 1 1
5 547 1 1 4 . HB3 H -2.991 -1.883 3.046 1.00 . A A . 4 DCY HB3 1 1
5 548 1 1 4 . N N -3.258 -0.615 0.948 1.00 . A A . 4 DCY N 1 1
5 549 1 1 4 . O O 0.379 -0.615 0.590 1.00 . A A . 4 DCY O 1 1
5 550 1 1 4 . SG S -1.407 -3.565 2.569 1.00 . A A . 4 DCY SG 1 1
5 551 1 1 5 ARG C C 1.076 2.034 2.983 1.00 . A A . 5 ARG C 1 1
5 552 1 1 5 ARG CA C 0.281 2.034 1.623 1.00 . A A . 5 ARG CA 1 1
5 553 1 1 5 ARG CB C -0.316 3.451 1.321 1.00 . A A . 5 ARG CB 1 1
5 554 1 1 5 ARG CD C -0.104 5.611 -0.104 1.00 . A A . 5 ARG CD 1 1
5 555 1 1 5 ARG CG C 0.318 4.139 0.091 1.00 . A A . 5 ARG CG 1 1
5 556 1 1 5 ARG CZ C -1.711 6.900 -1.532 1.00 . A A . 5 ARG CZ 1 1
5 557 1 1 5 ARG H H -1.804 1.259 1.768 1.00 . A A . 5 ARG H 1 1
5 558 1 1 5 ARG HA H 1.045 1.792 0.857 1.00 . A A . 5 ARG HA 1 1
5 559 1 1 5 ARG HB2 H -1.417 3.435 1.195 1.00 . A A . 5 ARG HB2 1 1
5 560 1 1 5 ARG HB3 H -0.182 4.112 2.201 1.00 . A A . 5 ARG HB3 1 1
5 561 1 1 5 ARG HD2 H -0.321 6.088 0.876 1.00 . A A . 5 ARG HD2 1 1
5 562 1 1 5 ARG HD3 H 0.766 6.163 -0.513 1.00 . A A . 5 ARG HD3 1 1
5 563 1 1 5 ARG HE H -1.725 4.914 -1.412 1.00 . A A . 5 ARG HE 1 1
5 564 1 1 5 ARG HG2 H 1.419 4.114 0.214 1.00 . A A . 5 ARG HG2 1 1
5 565 1 1 5 ARG HG3 H 0.137 3.537 -0.823 1.00 . A A . 5 ARG HG3 1 1
5 566 1 1 5 ARG HH11 H -2.949 7.762 -2.823 1.00 . A A . 5 ARG HH11 1 1
5 567 1 1 5 ARG HH12 H -2.970 5.945 -2.739 1.00 . A A . 5 ARG HH12 1 1
5 568 1 1 5 ARG HH21 H -1.643 8.912 -1.599 1.00 . A A . 5 ARG HH21 1 1
5 569 1 1 5 ARG HH22 H -0.533 8.032 -0.441 1.00 . A A . 5 ARG HH22 1 1
5 570 1 1 5 ARG N N -0.838 1.045 1.503 1.00 . A A . 5 ARG N 1 1
5 571 1 1 5 ARG NE N -1.266 5.745 -1.029 1.00 . A A . 5 ARG NE 1 1
5 572 1 1 5 ARG NH1 N -2.643 6.866 -2.440 1.00 . A A . 5 ARG NH1 1 1
5 573 1 1 5 ARG NH2 N -1.257 8.073 -1.162 1.00 . A A . 5 ARG NH2 1 1
5 574 1 1 5 ARG O O 2.190 2.553 3.055 1.00 . A A . 5 ARG O 1 1
5 575 1 1 6 PHE C C 0.852 0.162 6.131 1.00 . A A . 6 PHE C 1 1
5 576 1 1 6 PHE CA C 0.950 1.572 5.462 1.00 . A A . 6 PHE CA 1 1
5 577 1 1 6 PHE CB C 0.271 2.711 6.309 1.00 . A A . 6 PHE CB 1 1
5 578 1 1 6 PHE CD1 C -2.270 2.628 6.011 1.00 . A A . 6 PHE CD1 1 1
5 579 1 1 6 PHE CD2 C -1.066 4.509 5.095 1.00 . A A . 6 PHE CD2 1 1
5 580 1 1 6 PHE CE1 C -3.453 3.116 5.457 1.00 . A A . 6 PHE CE1 1 1
5 581 1 1 6 PHE CE2 C -2.248 4.997 4.541 1.00 . A A . 6 PHE CE2 1 1
5 582 1 1 6 PHE CG C -1.069 3.317 5.827 1.00 . A A . 6 PHE CG 1 1
5 583 1 1 6 PHE CZ C -3.439 4.299 4.720 1.00 . A A . 6 PHE CZ 1 1
5 584 1 1 6 PHE H H -0.451 1.123 3.805 1.00 . A A . 6 PHE H 1 1
5 585 1 1 6 PHE HA H 2.038 1.793 5.455 1.00 . A A . 6 PHE HA 1 1
5 586 1 1 6 PHE HB2 H 0.151 2.386 7.361 1.00 . A A . 6 PHE HB2 1 1
5 587 1 1 6 PHE HB3 H 1.009 3.531 6.404 1.00 . A A . 6 PHE HB3 1 1
5 588 1 1 6 PHE HD1 H -2.287 1.704 6.566 1.00 . A A . 6 PHE HD1 1 1
5 589 1 1 6 PHE HD2 H -0.144 5.047 4.930 1.00 . A A . 6 PHE HD2 1 1
5 590 1 1 6 PHE HE1 H -4.376 2.575 5.602 1.00 . A A . 6 PHE HE1 1 1
5 591 1 1 6 PHE HE2 H -2.237 5.916 3.973 1.00 . A A . 6 PHE HE2 1 1
5 592 1 1 6 PHE HZ H -4.352 4.682 4.289 1.00 . A A . 6 PHE HZ 1 1
5 593 1 1 6 PHE N N 0.466 1.509 4.050 1.00 . A A . 6 PHE N 1 1
5 594 1 1 6 PHE O O 1.834 -0.306 6.709 1.00 . A A . 6 PHE O 1 1
5 595 1 1 7 PHE C C 0.126 -3.080 5.531 1.00 . A A . 7 PHE C 1 1
5 596 1 1 7 PHE CA C -0.447 -1.954 6.492 1.00 . A A . 7 PHE CA 1 1
5 597 1 1 7 PHE CB C -1.964 -2.179 6.831 1.00 . A A . 7 PHE CB 1 1
5 598 1 1 7 PHE CD1 C -2.207 -0.459 8.738 1.00 . A A . 7 PHE CD1 1 1
5 599 1 1 7 PHE CD2 C -4.031 -0.720 7.177 1.00 . A A . 7 PHE CD2 1 1
5 600 1 1 7 PHE CE1 C -2.892 0.580 9.364 1.00 . A A . 7 PHE CE1 1 1
5 601 1 1 7 PHE CE2 C -4.721 0.311 7.813 1.00 . A A . 7 PHE CE2 1 1
5 602 1 1 7 PHE CG C -2.760 -1.106 7.626 1.00 . A A . 7 PHE CG 1 1
5 603 1 1 7 PHE CZ C -4.147 0.965 8.899 1.00 . A A . 7 PHE CZ 1 1
5 604 1 1 7 PHE H H -1.086 -0.004 5.664 1.00 . A A . 7 PHE H 1 1
5 605 1 1 7 PHE HA H 0.112 -2.071 7.443 1.00 . A A . 7 PHE HA 1 1
5 606 1 1 7 PHE HB2 H -2.488 -2.388 5.879 1.00 . A A . 7 PHE HB2 1 1
5 607 1 1 7 PHE HB3 H -2.054 -3.132 7.387 1.00 . A A . 7 PHE HB3 1 1
5 608 1 1 7 PHE HD1 H -1.223 -0.730 9.096 1.00 . A A . 7 PHE HD1 1 1
5 609 1 1 7 PHE HD2 H -4.485 -1.207 6.327 1.00 . A A . 7 PHE HD2 1 1
5 610 1 1 7 PHE HE1 H -2.443 1.098 10.200 1.00 . A A . 7 PHE HE1 1 1
5 611 1 1 7 PHE HE2 H -5.696 0.610 7.459 1.00 . A A . 7 PHE HE2 1 1
5 612 1 1 7 PHE HZ H -4.671 1.779 9.381 1.00 . A A . 7 PHE HZ 1 1
5 613 1 1 7 PHE N N -0.291 -0.544 6.013 1.00 . A A . 7 PHE N 1 1
5 614 1 1 7 PHE O O -0.276 -4.242 5.638 1.00 . A A . 7 PHE O 1 1
5 615 1 1 8 CYS C C 3.250 -3.880 4.164 1.00 . A A . 8 CYS C 1 1
5 616 1 1 8 CYS CA C 1.768 -3.726 3.732 1.00 . A A . 8 CYS CA 1 1
5 617 1 1 8 CYS CB C 1.698 -3.215 2.272 1.00 . A A . 8 CYS CB 1 1
5 618 1 1 8 CYS H H 1.400 -1.790 4.716 1.00 . A A . 8 CYS H 1 1
5 619 1 1 8 CYS HA H 1.293 -4.727 3.775 1.00 . A A . 8 CYS HA 1 1
5 620 1 1 8 CYS HB2 H 1.780 -2.111 2.211 1.00 . A A . 8 CYS HB2 1 1
5 621 1 1 8 CYS HB3 H 2.542 -3.597 1.668 1.00 . A A . 8 CYS HB3 1 1
5 622 1 1 8 CYS N N 1.066 -2.755 4.616 1.00 . A A . 8 CYS N 1 1
5 623 1 1 8 CYS O O 4.038 -2.843 4.538 1.00 . A A . 8 CYS O 1 1
5 624 1 1 8 CYS OXT O 3.672 -5.176 4.125 1.00 . A A . 8 CYS OXT 1 1
5 625 1 1 8 CYS SG S 0.205 -3.744 1.410 1.00 . A A . 8 CYS SG 1 1
6 626 1 1 1 ACE C C -8.010 -2.388 3.907 1.00 . A A . 1 ACE C 1 1
6 627 1 1 1 ACE CH3 C -7.600 -3.786 4.339 1.00 . A A . 1 ACE CH3 1 1
6 628 1 1 1 ACE H1 H -8.494 -4.419 4.487 1.00 . A A . 1 ACE H1 1 1
6 629 1 1 1 ACE H2 H -6.966 -4.293 3.588 1.00 . A A . 1 ACE H2 1 1
6 630 1 1 1 ACE H3 H -7.052 -3.759 5.297 1.00 . A A . 1 ACE H3 1 1
6 631 1 1 1 ACE O O -9.164 -1.989 4.062 1.00 . A A . 1 ACE O 1 1
6 632 1 1 2 ARG C C -6.705 -0.221 1.351 1.00 . A A . 2 ARG C 1 1
6 633 1 1 2 ARG CA C -7.264 -0.283 2.820 1.00 . A A . 2 ARG CA 1 1
6 634 1 1 2 ARG CB C -6.718 0.721 3.891 1.00 . A A . 2 ARG CB 1 1
6 635 1 1 2 ARG CD C -8.120 2.860 4.505 1.00 . A A . 2 ARG CD 1 1
6 636 1 1 2 ARG CG C -7.004 2.232 3.652 1.00 . A A . 2 ARG CG 1 1
6 637 1 1 2 ARG CZ C -10.626 2.886 4.492 1.00 . A A . 2 ARG CZ 1 1
6 638 1 1 2 ARG H H -6.160 -2.170 3.258 1.00 . A A . 2 ARG H 1 1
6 639 1 1 2 ARG HA H -8.350 -0.098 2.707 1.00 . A A . 2 ARG HA 1 1
6 640 1 1 2 ARG HB2 H -7.105 0.440 4.892 1.00 . A A . 2 ARG HB2 1 1
6 641 1 1 2 ARG HB3 H -5.624 0.571 3.990 1.00 . A A . 2 ARG HB3 1 1
6 642 1 1 2 ARG HD2 H -7.960 2.621 5.578 1.00 . A A . 2 ARG HD2 1 1
6 643 1 1 2 ARG HD3 H -8.037 3.965 4.425 1.00 . A A . 2 ARG HD3 1 1
6 644 1 1 2 ARG HE H -9.555 1.671 3.347 1.00 . A A . 2 ARG HE 1 1
6 645 1 1 2 ARG HG2 H -6.073 2.790 3.874 1.00 . A A . 2 ARG HG2 1 1
6 646 1 1 2 ARG HG3 H -7.190 2.457 2.582 1.00 . A A . 2 ARG HG3 1 1
6 647 1 1 2 ARG HH11 H -12.605 2.779 4.335 1.00 . A A . 2 ARG HH11 1 1
6 648 1 1 2 ARG HH12 H -11.623 1.672 3.275 1.00 . A A . 2 ARG HH12 1 1
6 649 1 1 2 ARG HH21 H -11.659 4.124 5.694 1.00 . A A . 2 ARG HH21 1 1
6 650 1 1 2 ARG HH22 H -9.832 4.147 5.771 1.00 . A A . 2 ARG HH22 1 1
6 651 1 1 2 ARG N N -7.035 -1.650 3.376 1.00 . A A . 2 ARG N 1 1
6 652 1 1 2 ARG NE N -9.463 2.409 4.049 1.00 . A A . 2 ARG NE 1 1
6 653 1 1 2 ARG NH1 N -11.723 2.400 3.985 1.00 . A A . 2 ARG NH1 1 1
6 654 1 1 2 ARG NH2 N -10.728 3.817 5.408 1.00 . A A . 2 ARG NH2 1 1
6 655 1 1 2 ARG O O -7.081 -1.043 0.513 1.00 . A A . 2 ARG O 1 1
6 656 1 1 3 ALA C C -3.650 -0.067 -0.216 1.00 . A A . 3 ALA C 1 1
6 657 1 1 3 ALA CA C -5.017 0.713 -0.239 1.00 . A A . 3 ALA CA 1 1
6 658 1 1 3 ALA CB C -4.788 2.205 -0.559 1.00 . A A . 3 ALA CB 1 1
6 659 1 1 3 ALA H H -5.590 1.375 1.789 1.00 . A A . 3 ALA H 1 1
6 660 1 1 3 ALA HA H -5.617 0.277 -1.063 1.00 . A A . 3 ALA HA 1 1
6 661 1 1 3 ALA HB1 H -4.267 2.331 -1.527 1.00 . A A . 3 ALA HB1 1 1
6 662 1 1 3 ALA HB2 H -5.739 2.767 -0.642 1.00 . A A . 3 ALA HB2 1 1
6 663 1 1 3 ALA HB3 H -4.169 2.712 0.208 1.00 . A A . 3 ALA HB3 1 1
6 664 1 1 3 ALA N N -5.807 0.725 1.027 1.00 . A A . 3 ALA N 1 1
6 665 1 1 3 ALA O O -2.942 -0.100 -1.225 1.00 . A A . 3 ALA O 1 1
6 666 1 1 4 . C C -0.690 -0.198 1.047 1.00 . A A . 4 DCY C 1 1
6 667 1 1 4 . CA C -1.898 -1.196 1.186 1.00 . A A . 4 DCY CA 1 1
6 668 1 1 4 . CB C -1.960 -1.827 2.610 1.00 . A A . 4 DCY CB 1 1
6 669 1 1 4 . H H -4.000 -0.668 1.637 1.00 . A A . 4 DCY H 1 1
6 670 1 1 4 . HA H -1.726 -2.006 0.451 1.00 . A A . 4 DCY HA 1 1
6 671 1 1 4 . HB2 H -1.298 -1.296 3.321 1.00 . A A . 4 DCY HB2 1 1
6 672 1 1 4 . HB3 H -2.958 -1.795 3.091 1.00 . A A . 4 DCY HB3 1 1
6 673 1 1 4 . N N -3.256 -0.640 0.935 1.00 . A A . 4 DCY N 1 1
6 674 1 1 4 . O O 0.382 -0.585 0.577 1.00 . A A . 4 DCY O 1 1
6 675 1 1 4 . SG S -1.456 -3.556 2.607 1.00 . A A . 4 DCY SG 1 1
6 676 1 1 5 ARG C C 1.060 2.045 2.982 1.00 . A A . 5 ARG C 1 1
6 677 1 1 5 ARG CA C 0.262 2.056 1.625 1.00 . A A . 5 ARG CA 1 1
6 678 1 1 5 ARG CB C -0.338 3.473 1.331 1.00 . A A . 5 ARG CB 1 1
6 679 1 1 5 ARG CD C -0.092 5.657 -0.057 1.00 . A A . 5 ARG CD 1 1
6 680 1 1 5 ARG CG C 0.329 4.185 0.132 1.00 . A A . 5 ARG CG 1 1
6 681 1 1 5 ARG CZ C -1.689 6.944 -1.497 1.00 . A A . 5 ARG CZ 1 1
6 682 1 1 5 ARG H H -1.817 1.263 1.774 1.00 . A A . 5 ARG H 1 1
6 683 1 1 5 ARG HA H 1.027 1.822 0.855 1.00 . A A . 5 ARG HA 1 1
6 684 1 1 5 ARG HB2 H -1.434 3.448 1.167 1.00 . A A . 5 ARG HB2 1 1
6 685 1 1 5 ARG HB3 H -0.239 4.118 2.228 1.00 . A A . 5 ARG HB3 1 1
6 686 1 1 5 ARG HD2 H -0.292 6.134 0.926 1.00 . A A . 5 ARG HD2 1 1
6 687 1 1 5 ARG HD3 H 0.778 6.203 -0.479 1.00 . A A . 5 ARG HD3 1 1
6 688 1 1 5 ARG HE H -1.757 4.965 -1.308 1.00 . A A . 5 ARG HE 1 1
6 689 1 1 5 ARG HG2 H 1.427 4.162 0.288 1.00 . A A . 5 ARG HG2 1 1
6 690 1 1 5 ARG HG3 H 0.176 3.597 -0.796 1.00 . A A . 5 ARG HG3 1 1
6 691 1 1 5 ARG HH11 H -2.932 7.800 -2.788 1.00 . A A . 5 ARG HH11 1 1
6 692 1 1 5 ARG HH12 H -3.005 5.987 -2.641 1.00 . A A . 5 ARG HH12 1 1
6 693 1 1 5 ARG HH21 H -1.563 8.950 -1.635 1.00 . A A . 5 ARG HH21 1 1
6 694 1 1 5 ARG HH22 H -0.455 8.075 -0.471 1.00 . A A . 5 ARG HH22 1 1
6 695 1 1 5 ARG N N -0.851 1.061 1.499 1.00 . A A . 5 ARG N 1 1
6 696 1 1 5 ARG NE N -1.265 5.794 -0.965 1.00 . A A . 5 ARG NE 1 1
6 697 1 1 5 ARG NH1 N -2.643 6.907 -2.382 1.00 . A A . 5 ARG NH1 1 1
6 698 1 1 5 ARG NH2 N -1.193 8.115 -1.178 1.00 . A A . 5 ARG NH2 1 1
6 699 1 1 5 ARG O O 2.197 2.516 3.046 1.00 . A A . 5 ARG O 1 1
6 700 1 1 6 PHE C C 0.855 0.174 6.104 1.00 . A A . 6 PHE C 1 1
6 701 1 1 6 PHE CA C 0.928 1.600 5.464 1.00 . A A . 6 PHE CA 1 1
6 702 1 1 6 PHE CB C 0.239 2.712 6.340 1.00 . A A . 6 PHE CB 1 1
6 703 1 1 6 PHE CD1 C -2.298 2.620 6.024 1.00 . A A . 6 PHE CD1 1 1
6 704 1 1 6 PHE CD2 C -1.104 4.531 5.160 1.00 . A A . 6 PHE CD2 1 1
6 705 1 1 6 PHE CE1 C -3.479 3.107 5.468 1.00 . A A . 6 PHE CE1 1 1
6 706 1 1 6 PHE CE2 C -2.284 5.018 4.605 1.00 . A A . 6 PHE CE2 1 1
6 707 1 1 6 PHE CG C -1.102 3.324 5.869 1.00 . A A . 6 PHE CG 1 1
6 708 1 1 6 PHE CZ C -3.471 4.305 4.756 1.00 . A A . 6 PHE CZ 1 1
6 709 1 1 6 PHE H H -0.508 1.220 3.823 1.00 . A A . 6 PHE H 1 1
6 710 1 1 6 PHE HA H 2.012 1.838 5.455 1.00 . A A . 6 PHE HA 1 1
6 711 1 1 6 PHE HB2 H 0.115 2.357 7.383 1.00 . A A . 6 PHE HB2 1 1
6 712 1 1 6 PHE HB3 H 0.971 3.533 6.464 1.00 . A A . 6 PHE HB3 1 1
6 713 1 1 6 PHE HD1 H -2.312 1.684 6.559 1.00 . A A . 6 PHE HD1 1 1
6 714 1 1 6 PHE HD2 H -0.183 5.079 5.014 1.00 . A A . 6 PHE HD2 1 1
6 715 1 1 6 PHE HE1 H -4.399 2.553 5.594 1.00 . A A . 6 PHE HE1 1 1
6 716 1 1 6 PHE HE2 H -2.276 5.948 4.053 1.00 . A A . 6 PHE HE2 1 1
6 717 1 1 6 PHE HZ H -4.382 4.687 4.320 1.00 . A A . 6 PHE HZ 1 1
6 718 1 1 6 PHE N N 0.428 1.561 4.057 1.00 . A A . 6 PHE N 1 1
6 719 1 1 6 PHE O O 1.852 -0.296 6.657 1.00 . A A . 6 PHE O 1 1
6 720 1 1 7 PHE C C 0.138 -3.076 5.519 1.00 . A A . 7 PHE C 1 1
6 721 1 1 7 PHE CA C -0.430 -1.948 6.480 1.00 . A A . 7 PHE CA 1 1
6 722 1 1 7 PHE CB C -1.945 -2.178 6.824 1.00 . A A . 7 PHE CB 1 1
6 723 1 1 7 PHE CD1 C -2.197 -0.450 8.723 1.00 . A A . 7 PHE CD1 1 1
6 724 1 1 7 PHE CD2 C -4.030 -0.747 7.181 1.00 . A A . 7 PHE CD2 1 1
6 725 1 1 7 PHE CE1 C -2.891 0.581 9.352 1.00 . A A . 7 PHE CE1 1 1
6 726 1 1 7 PHE CE2 C -4.730 0.275 7.818 1.00 . A A . 7 PHE CE2 1 1
6 727 1 1 7 PHE CG C -2.749 -1.111 7.619 1.00 . A A . 7 PHE CG 1 1
6 728 1 1 7 PHE CZ C -4.157 0.943 8.897 1.00 . A A . 7 PHE CZ 1 1
6 729 1 1 7 PHE H H -1.087 -0.001 5.661 1.00 . A A . 7 PHE H 1 1
6 730 1 1 7 PHE HA H 0.133 -2.059 7.428 1.00 . A A . 7 PHE HA 1 1
6 731 1 1 7 PHE HB2 H -2.473 -2.392 5.874 1.00 . A A . 7 PHE HB2 1 1
6 732 1 1 7 PHE HB3 H -2.029 -3.130 7.382 1.00 . A A . 7 PHE HB3 1 1
6 733 1 1 7 PHE HD1 H -1.206 -0.705 9.074 1.00 . A A . 7 PHE HD1 1 1
6 734 1 1 7 PHE HD2 H -4.484 -1.246 6.338 1.00 . A A . 7 PHE HD2 1 1
6 735 1 1 7 PHE HE1 H -2.444 1.109 10.182 1.00 . A A . 7 PHE HE1 1 1
6 736 1 1 7 PHE HE2 H -5.715 0.557 7.471 1.00 . A A . 7 PHE HE2 1 1
6 737 1 1 7 PHE HZ H -4.691 1.749 9.379 1.00 . A A . 7 PHE HZ 1 1
6 738 1 1 7 PHE N N -0.284 -0.540 5.993 1.00 . A A . 7 PHE N 1 1
6 739 1 1 7 PHE O O -0.288 -4.230 5.615 1.00 . A A . 7 PHE O 1 1
6 740 1 1 8 CYS C C 3.225 -3.990 4.216 1.00 . A A . 8 CYS C 1 1
6 741 1 1 8 CYS CA C 1.765 -3.755 3.724 1.00 . A A . 8 CYS CA 1 1
6 742 1 1 8 CYS CB C 1.648 -3.261 2.257 1.00 . A A . 8 CYS CB 1 1
6 743 1 1 8 CYS H H 1.417 -1.795 4.691 1.00 . A A . 8 CYS H 1 1
6 744 1 1 8 CYS HA H 1.272 -4.745 3.779 1.00 . A A . 8 CYS HA 1 1
6 745 1 1 8 CYS HB2 H 1.727 -2.160 2.179 1.00 . A A . 8 CYS HB2 1 1
6 746 1 1 8 CYS HB3 H 2.480 -3.650 1.640 1.00 . A A . 8 CYS HB3 1 1
6 747 1 1 8 CYS N N 1.097 -2.768 4.617 1.00 . A A . 8 CYS N 1 1
6 748 1 1 8 CYS O O 3.533 -4.827 5.237 1.00 . A A . 8 CYS O 1 1
6 749 1 1 8 CYS OXT O 4.170 -3.278 3.528 1.00 . A A . 8 CYS OXT 1 1
6 750 1 1 8 CYS SG S 0.137 -3.806 1.436 1.00 . A A . 8 CYS SG 1 1
7 751 1 1 1 ACE C C -7.166 -2.882 3.419 1.00 . A A . 1 ACE C 1 1
7 752 1 1 1 ACE CH3 C -6.365 -3.983 4.097 1.00 . A A . 1 ACE CH3 1 1
7 753 1 1 1 ACE H1 H -7.048 -4.690 4.600 1.00 . A A . 1 ACE H1 1 1
7 754 1 1 1 ACE H2 H -5.794 -4.558 3.347 1.00 . A A . 1 ACE H2 1 1
7 755 1 1 1 ACE H3 H -5.657 -3.613 4.860 1.00 . A A . 1 ACE H3 1 1
7 756 1 1 1 ACE O O -8.251 -3.134 2.898 1.00 . A A . 1 ACE O 1 1
7 757 1 1 2 ARG C C -6.717 -0.193 1.394 1.00 . A A . 2 ARG C 1 1
7 758 1 1 2 ARG CA C -7.269 -0.466 2.836 1.00 . A A . 2 ARG CA 1 1
7 759 1 1 2 ARG CB C -7.177 0.685 3.898 1.00 . A A . 2 ARG CB 1 1
7 760 1 1 2 ARG CD C -9.667 1.473 4.187 1.00 . A A . 2 ARG CD 1 1
7 761 1 1 2 ARG CG C -8.406 0.834 4.829 1.00 . A A . 2 ARG CG 1 1
7 762 1 1 2 ARG CZ C -9.227 3.960 4.188 1.00 . A A . 2 ARG CZ 1 1
7 763 1 1 2 ARG H H -5.736 -1.635 3.957 1.00 . A A . 2 ARG H 1 1
7 764 1 1 2 ARG HA H -8.344 -0.670 2.659 1.00 . A A . 2 ARG HA 1 1
7 765 1 1 2 ARG HB2 H -6.264 0.579 4.519 1.00 . A A . 2 ARG HB2 1 1
7 766 1 1 2 ARG HB3 H -7.020 1.661 3.406 1.00 . A A . 2 ARG HB3 1 1
7 767 1 1 2 ARG HD2 H -10.063 0.780 3.417 1.00 . A A . 2 ARG HD2 1 1
7 768 1 1 2 ARG HD3 H -10.492 1.526 4.926 1.00 . A A . 2 ARG HD3 1 1
7 769 1 1 2 ARG HE H -9.387 2.890 2.527 1.00 . A A . 2 ARG HE 1 1
7 770 1 1 2 ARG HG2 H -8.671 -0.159 5.249 1.00 . A A . 2 ARG HG2 1 1
7 771 1 1 2 ARG HG3 H -8.106 1.427 5.712 1.00 . A A . 2 ARG HG3 1 1
7 772 1 1 2 ARG HH11 H -8.793 5.889 3.990 1.00 . A A . 2 ARG HH11 1 1
7 773 1 1 2 ARG HH12 H -8.927 4.906 2.466 1.00 . A A . 2 ARG HH12 1 1
7 774 1 1 2 ARG HH21 H -9.103 4.999 5.907 1.00 . A A . 2 ARG HH21 1 1
7 775 1 1 2 ARG HH22 H -9.510 3.215 5.975 1.00 . A A . 2 ARG HH22 1 1
7 776 1 1 2 ARG N N -6.616 -1.667 3.439 1.00 . A A . 2 ARG N 1 1
7 777 1 1 2 ARG NE N -9.439 2.807 3.549 1.00 . A A . 2 ARG NE 1 1
7 778 1 1 2 ARG NH1 N -8.955 5.019 3.481 1.00 . A A . 2 ARG NH1 1 1
7 779 1 1 2 ARG NH2 N -9.273 4.083 5.490 1.00 . A A . 2 ARG NH2 1 1
7 780 1 1 2 ARG O O -7.005 -0.970 0.483 1.00 . A A . 2 ARG O 1 1
7 781 1 1 3 ALA C C -3.745 0.138 -0.124 1.00 . A A . 3 ALA C 1 1
7 782 1 1 3 ALA CA C -5.074 0.980 -0.074 1.00 . A A . 3 ALA CA 1 1
7 783 1 1 3 ALA CB C -4.766 2.488 -0.197 1.00 . A A . 3 ALA CB 1 1
7 784 1 1 3 ALA H H -5.735 1.454 1.977 1.00 . A A . 3 ALA H 1 1
7 785 1 1 3 ALA HA H -5.671 0.682 -0.958 1.00 . A A . 3 ALA HA 1 1
7 786 1 1 3 ALA HB1 H -5.685 3.104 -0.226 1.00 . A A . 3 ALA HB1 1 1
7 787 1 1 3 ALA HB2 H -4.138 2.861 0.635 1.00 . A A . 3 ALA HB2 1 1
7 788 1 1 3 ALA HB3 H -4.215 2.706 -1.131 1.00 . A A . 3 ALA HB3 1 1
7 789 1 1 3 ALA N N -5.907 0.859 1.163 1.00 . A A . 3 ALA N 1 1
7 790 1 1 3 ALA O O -3.045 0.145 -1.139 1.00 . A A . 3 ALA O 1 1
7 791 1 1 4 . C C -0.773 -0.278 1.026 1.00 . A A . 4 DCY C 1 1
7 792 1 1 4 . CA C -2.054 -1.180 1.195 1.00 . A A . 4 DCY CA 1 1
7 793 1 1 4 . CB C -2.146 -1.801 2.624 1.00 . A A . 4 DCY CB 1 1
7 794 1 1 4 . H H -4.134 -0.599 1.667 1.00 . A A . 4 DCY H 1 1
7 795 1 1 4 . HA H -1.966 -2.004 0.458 1.00 . A A . 4 DCY HA 1 1
7 796 1 1 4 . HB2 H -1.506 -1.258 3.346 1.00 . A A . 4 DCY HB2 1 1
7 797 1 1 4 . HB3 H -3.155 -1.776 3.078 1.00 . A A . 4 DCY HB3 1 1
7 798 1 1 4 . N N -3.374 -0.528 0.985 1.00 . A A . 4 DCY N 1 1
7 799 1 1 4 . O O 0.262 -0.745 0.552 1.00 . A A . 4 DCY O 1 1
7 800 1 1 4 . SG S -1.651 -3.531 2.649 1.00 . A A . 4 DCY SG 1 1
7 801 1 1 5 ARG C C 1.144 1.976 2.856 1.00 . A A . 5 ARG C 1 1
7 802 1 1 5 ARG CA C 0.323 1.936 1.515 1.00 . A A . 5 ARG CA 1 1
7 803 1 1 5 ARG CB C -0.228 3.364 1.184 1.00 . A A . 5 ARG CB 1 1
7 804 1 1 5 ARG CD C 0.561 5.350 -0.291 1.00 . A A . 5 ARG CD 1 1
7 805 1 1 5 ARG CG C 0.091 3.882 -0.244 1.00 . A A . 5 ARG CG 1 1
7 806 1 1 5 ARG CZ C 2.722 6.527 0.226 1.00 . A A . 5 ARG CZ 1 1
7 807 1 1 5 ARG H H -1.798 1.275 1.706 1.00 . A A . 5 ARG H 1 1
7 808 1 1 5 ARG HA H 1.068 1.638 0.750 1.00 . A A . 5 ARG HA 1 1
7 809 1 1 5 ARG HB2 H -1.320 3.446 1.363 1.00 . A A . 5 ARG HB2 1 1
7 810 1 1 5 ARG HB3 H 0.159 4.094 1.924 1.00 . A A . 5 ARG HB3 1 1
7 811 1 1 5 ARG HD2 H 0.549 5.694 -1.346 1.00 . A A . 5 ARG HD2 1 1
7 812 1 1 5 ARG HD3 H -0.156 5.999 0.256 1.00 . A A . 5 ARG HD3 1 1
7 813 1 1 5 ARG HE H 2.345 4.656 0.778 1.00 . A A . 5 ARG HE 1 1
7 814 1 1 5 ARG HG2 H 0.842 3.246 -0.755 1.00 . A A . 5 ARG HG2 1 1
7 815 1 1 5 ARG HG3 H -0.813 3.763 -0.871 1.00 . A A . 5 ARG HG3 1 1
7 816 1 1 5 ARG HH11 H 4.515 7.264 0.665 1.00 . A A . 5 ARG HH11 1 1
7 817 1 1 5 ARG HH12 H 4.176 5.541 1.149 1.00 . A A . 5 ARG HH12 1 1
7 818 1 1 5 ARG HH21 H 3.028 8.435 -0.329 1.00 . A A . 5 ARG HH21 1 1
7 819 1 1 5 ARG HH22 H 1.406 7.665 -0.683 1.00 . A A . 5 ARG HH22 1 1
7 820 1 1 5 ARG N N -0.845 0.999 1.451 1.00 . A A . 5 ARG N 1 1
7 821 1 1 5 ARG NE N 1.932 5.457 0.289 1.00 . A A . 5 ARG NE 1 1
7 822 1 1 5 ARG NH1 N 3.916 6.439 0.736 1.00 . A A . 5 ARG NH1 1 1
7 823 1 1 5 ARG NH2 N 2.361 7.661 -0.320 1.00 . A A . 5 ARG NH2 1 1
7 824 1 1 5 ARG O O 2.230 2.561 2.899 1.00 . A A . 5 ARG O 1 1
7 825 1 1 6 PHE C C 0.867 0.231 6.105 1.00 . A A . 6 PHE C 1 1
7 826 1 1 6 PHE CA C 1.057 1.582 5.342 1.00 . A A . 6 PHE CA 1 1
7 827 1 1 6 PHE CB C 0.457 2.823 6.095 1.00 . A A . 6 PHE CB 1 1
7 828 1 1 6 PHE CD1 C -2.106 2.825 5.996 1.00 . A A . 6 PHE CD1 1 1
7 829 1 1 6 PHE CD2 C -0.902 4.503 4.747 1.00 . A A . 6 PHE CD2 1 1
7 830 1 1 6 PHE CE1 C -3.308 3.305 5.475 1.00 . A A . 6 PHE CE1 1 1
7 831 1 1 6 PHE CE2 C -2.102 4.983 4.229 1.00 . A A . 6 PHE CE2 1 1
7 832 1 1 6 PHE CG C -0.893 3.415 5.627 1.00 . A A . 6 PHE CG 1 1
7 833 1 1 6 PHE CZ C -3.304 4.379 4.589 1.00 . A A . 6 PHE CZ 1 1
7 834 1 1 6 PHE H H -0.320 0.997 3.709 1.00 . A A . 6 PHE H 1 1
7 835 1 1 6 PHE HA H 2.157 1.730 5.323 1.00 . A A . 6 PHE HA 1 1
7 836 1 1 6 PHE HB2 H 0.397 2.615 7.181 1.00 . A A . 6 PHE HB2 1 1
7 837 1 1 6 PHE HB3 H 1.217 3.628 6.056 1.00 . A A . 6 PHE HB3 1 1
7 838 1 1 6 PHE HD1 H -2.119 1.990 6.679 1.00 . A A . 6 PHE HD1 1 1
7 839 1 1 6 PHE HD2 H 0.026 4.967 4.444 1.00 . A A . 6 PHE HD2 1 1
7 840 1 1 6 PHE HE1 H -4.242 2.843 5.762 1.00 . A A . 6 PHE HE1 1 1
7 841 1 1 6 PHE HE2 H -2.099 5.820 3.544 1.00 . A A . 6 PHE HE2 1 1
7 842 1 1 6 PHE HZ H -4.234 4.754 4.185 1.00 . A A . 6 PHE HZ 1 1
7 843 1 1 6 PHE N N 0.578 1.434 3.936 1.00 . A A . 6 PHE N 1 1
7 844 1 1 6 PHE O O 1.826 -0.270 6.695 1.00 . A A . 6 PHE O 1 1
7 845 1 1 7 PHE C C -0.088 -2.968 5.609 1.00 . A A . 7 PHE C 1 1
7 846 1 1 7 PHE CA C -0.550 -1.786 6.565 1.00 . A A . 7 PHE CA 1 1
7 847 1 1 7 PHE CB C -2.061 -1.897 6.971 1.00 . A A . 7 PHE CB 1 1
7 848 1 1 7 PHE CD1 C -3.997 -0.295 7.425 1.00 . A A . 7 PHE CD1 1 1
7 849 1 1 7 PHE CD2 C -2.075 -0.164 8.882 1.00 . A A . 7 PHE CD2 1 1
7 850 1 1 7 PHE CE1 C -4.578 0.779 8.097 1.00 . A A . 7 PHE CE1 1 1
7 851 1 1 7 PHE CE2 C -2.651 0.920 9.544 1.00 . A A . 7 PHE CE2 1 1
7 852 1 1 7 PHE CG C -2.733 -0.770 7.804 1.00 . A A . 7 PHE CG 1 1
7 853 1 1 7 PHE CZ C -3.901 1.390 9.148 1.00 . A A . 7 PHE CZ 1 1
7 854 1 1 7 PHE H H -1.088 0.172 5.677 1.00 . A A . 7 PHE H 1 1
7 855 1 1 7 PHE HA H 0.040 -1.919 7.494 1.00 . A A . 7 PHE HA 1 1
7 856 1 1 7 PHE HB2 H -2.643 -2.061 6.043 1.00 . A A . 7 PHE HB2 1 1
7 857 1 1 7 PHE HB3 H -2.199 -2.842 7.531 1.00 . A A . 7 PHE HB3 1 1
7 858 1 1 7 PHE HD1 H -4.530 -0.747 6.602 1.00 . A A . 7 PHE HD1 1 1
7 859 1 1 7 PHE HD2 H -1.096 -0.502 9.185 1.00 . A A . 7 PHE HD2 1 1
7 860 1 1 7 PHE HE1 H -5.548 1.147 7.797 1.00 . A A . 7 PHE HE1 1 1
7 861 1 1 7 PHE HE2 H -2.123 1.401 10.353 1.00 . A A . 7 PHE HE2 1 1
7 862 1 1 7 PHE HZ H -4.342 2.236 9.657 1.00 . A A . 7 PHE HZ 1 1
7 863 1 1 7 PHE N N -0.323 -0.402 6.042 1.00 . A A . 7 PHE N 1 1
7 864 1 1 7 PHE O O -0.602 -4.085 5.713 1.00 . A A . 7 PHE O 1 1
7 865 1 1 8 CYS C C 2.991 -4.056 4.252 1.00 . A A . 8 CYS C 1 1
7 866 1 1 8 CYS CA C 1.515 -3.775 3.837 1.00 . A A . 8 CYS CA 1 1
7 867 1 1 8 CYS CB C 1.455 -3.276 2.369 1.00 . A A . 8 CYS CB 1 1
7 868 1 1 8 CYS H H 1.314 -1.811 4.815 1.00 . A A . 8 CYS H 1 1
7 869 1 1 8 CYS HA H 0.977 -4.741 3.905 1.00 . A A . 8 CYS HA 1 1
7 870 1 1 8 CYS HB2 H 1.547 -2.176 2.291 1.00 . A A . 8 CYS HB2 1 1
7 871 1 1 8 CYS HB3 H 2.292 -3.672 1.764 1.00 . A A . 8 CYS HB3 1 1
7 872 1 1 8 CYS N N 0.887 -2.738 4.704 1.00 . A A . 8 CYS N 1 1
7 873 1 1 8 CYS O O 3.673 -3.324 5.167 1.00 . A A . 8 CYS O 1 1
7 874 1 1 8 CYS OXT O 3.517 -5.124 3.586 1.00 . A A . 8 CYS OXT 1 1
7 875 1 1 8 CYS SG S -0.039 -3.805 1.512 1.00 . A A . 8 CYS SG 1 1
8 876 1 1 1 ACE C C -7.141 -2.860 3.436 1.00 . A A . 1 ACE C 1 1
8 877 1 1 1 ACE CH3 C -6.322 -3.951 4.103 1.00 . A A . 1 ACE CH3 1 1
8 878 1 1 1 ACE H1 H -5.315 -4.041 3.655 1.00 . A A . 1 ACE H1 1 1
8 879 1 1 1 ACE H2 H -6.212 -3.769 5.186 1.00 . A A . 1 ACE H2 1 1
8 880 1 1 1 ACE H3 H -6.820 -4.930 3.985 1.00 . A A . 1 ACE H3 1 1
8 881 1 1 1 ACE O O -8.241 -3.111 2.944 1.00 . A A . 1 ACE O 1 1
8 882 1 1 2 ARG C C -6.713 -0.179 1.386 1.00 . A A . 2 ARG C 1 1
8 883 1 1 2 ARG CA C -7.247 -0.452 2.831 1.00 . A A . 2 ARG CA 1 1
8 884 1 1 2 ARG CB C -7.230 0.717 3.876 1.00 . A A . 2 ARG CB 1 1
8 885 1 1 2 ARG CD C -9.660 1.671 4.194 1.00 . A A . 2 ARG CD 1 1
8 886 1 1 2 ARG CG C -8.503 0.800 4.760 1.00 . A A . 2 ARG CG 1 1
8 887 1 1 2 ARG CZ C -10.888 0.268 2.493 1.00 . A A . 2 ARG CZ 1 1
8 888 1 1 2 ARG H H -5.700 -1.612 3.951 1.00 . A A . 2 ARG H 1 1
8 889 1 1 2 ARG HA H -8.307 -0.695 2.637 1.00 . A A . 2 ARG HA 1 1
8 890 1 1 2 ARG HB2 H -6.333 0.645 4.525 1.00 . A A . 2 ARG HB2 1 1
8 891 1 1 2 ARG HB3 H -7.103 1.696 3.378 1.00 . A A . 2 ARG HB3 1 1
8 892 1 1 2 ARG HD2 H -10.510 1.690 4.906 1.00 . A A . 2 ARG HD2 1 1
8 893 1 1 2 ARG HD3 H -9.319 2.725 4.178 1.00 . A A . 2 ARG HD3 1 1
8 894 1 1 2 ARG HE H -9.810 1.855 2.006 1.00 . A A . 2 ARG HE 1 1
8 895 1 1 2 ARG HG2 H -8.861 -0.218 5.007 1.00 . A A . 2 ARG HG2 1 1
8 896 1 1 2 ARG HG3 H -8.218 1.226 5.742 1.00 . A A . 2 ARG HG3 1 1
8 897 1 1 2 ARG HH11 H -11.678 -0.782 1.003 1.00 . A A . 2 ARG HH11 1 1
8 898 1 1 2 ARG HH12 H -10.680 0.670 0.555 1.00 . A A . 2 ARG HH12 1 1
8 899 1 1 2 ARG HH21 H -11.954 -1.347 3.040 1.00 . A A . 2 ARG HH21 1 1
8 900 1 1 2 ARG HH22 H -11.168 -0.323 4.338 1.00 . A A . 2 ARG HH22 1 1
8 901 1 1 2 ARG N N -6.587 -1.644 3.443 1.00 . A A . 2 ARG N 1 1
8 902 1 1 2 ARG NE N -10.126 1.314 2.817 1.00 . A A . 2 ARG NE 1 1
8 903 1 1 2 ARG NH1 N -11.117 0.041 1.231 1.00 . A A . 2 ARG NH1 1 1
8 904 1 1 2 ARG NH2 N -11.403 -0.552 3.373 1.00 . A A . 2 ARG NH2 1 1
8 905 1 1 2 ARG O O -7.044 -0.937 0.473 1.00 . A A . 2 ARG O 1 1
8 906 1 1 3 ALA C C -3.727 0.104 -0.120 1.00 . A A . 3 ALA C 1 1
8 907 1 1 3 ALA CA C -5.051 0.953 -0.083 1.00 . A A . 3 ALA CA 1 1
8 908 1 1 3 ALA CB C -4.744 2.458 -0.233 1.00 . A A . 3 ALA CB 1 1
8 909 1 1 3 ALA H H -5.709 1.458 1.963 1.00 . A A . 3 ALA H 1 1
8 910 1 1 3 ALA HA H -5.647 0.641 -0.965 1.00 . A A . 3 ALA HA 1 1
8 911 1 1 3 ALA HB1 H -5.665 3.068 -0.306 1.00 . A A . 3 ALA HB1 1 1
8 912 1 1 3 ALA HB2 H -4.147 2.856 0.610 1.00 . A A . 3 ALA HB2 1 1
8 913 1 1 3 ALA HB3 H -4.166 2.660 -1.154 1.00 . A A . 3 ALA HB3 1 1
8 914 1 1 3 ALA N N -5.883 0.853 1.156 1.00 . A A . 3 ALA N 1 1
8 915 1 1 3 ALA O O -3.019 0.103 -1.129 1.00 . A A . 3 ALA O 1 1
8 916 1 1 4 . C C -0.767 -0.256 1.061 1.00 . A A . 4 DCY C 1 1
8 917 1 1 4 . CA C -2.031 -1.181 1.231 1.00 . A A . 4 DCY CA 1 1
8 918 1 1 4 . CB C -2.118 -1.777 2.670 1.00 . A A . 4 DCY CB 1 1
8 919 1 1 4 . H H -4.120 -0.608 1.683 1.00 . A A . 4 DCY H 1 1
8 920 1 1 4 . HA H -1.918 -2.012 0.509 1.00 . A A . 4 DCY HA 1 1
8 921 1 1 4 . HB2 H -1.429 -1.265 3.366 1.00 . A A . 4 DCY HB2 1 1
8 922 1 1 4 . HB3 H -3.109 -1.684 3.156 1.00 . A A . 4 DCY HB3 1 1
8 923 1 1 4 . N N -3.364 -0.560 0.994 1.00 . A A . 4 DCY N 1 1
8 924 1 1 4 . O O 0.288 -0.717 0.625 1.00 . A A . 4 DCY O 1 1
8 925 1 1 4 . SG S -1.709 -3.530 2.710 1.00 . A A . 4 DCY SG 1 1
8 926 1 1 5 ARG C C 1.099 2.033 2.861 1.00 . A A . 5 ARG C 1 1
8 927 1 1 5 ARG CA C 0.277 1.989 1.521 1.00 . A A . 5 ARG CA 1 1
8 928 1 1 5 ARG CB C -0.304 3.406 1.205 1.00 . A A . 5 ARG CB 1 1
8 929 1 1 5 ARG CD C 0.469 5.409 -0.259 1.00 . A A . 5 ARG CD 1 1
8 930 1 1 5 ARG CG C 0.005 3.938 -0.220 1.00 . A A . 5 ARG CG 1 1
8 931 1 1 5 ARG CZ C 2.634 6.584 0.241 1.00 . A A . 5 ARG CZ 1 1
8 932 1 1 5 ARG H H -1.834 1.292 1.682 1.00 . A A . 5 ARG H 1 1
8 933 1 1 5 ARG HA H 1.026 1.710 0.753 1.00 . A A . 5 ARG HA 1 1
8 934 1 1 5 ARG HB2 H -1.396 3.466 1.384 1.00 . A A . 5 ARG HB2 1 1
8 935 1 1 5 ARG HB3 H 0.067 4.139 1.951 1.00 . A A . 5 ARG HB3 1 1
8 936 1 1 5 ARG HD2 H 0.449 5.759 -1.312 1.00 . A A . 5 ARG HD2 1 1
8 937 1 1 5 ARG HD3 H -0.247 6.050 0.296 1.00 . A A . 5 ARG HD3 1 1
8 938 1 1 5 ARG HE H 2.255 4.718 0.809 1.00 . A A . 5 ARG HE 1 1
8 939 1 1 5 ARG HG2 H 0.755 3.310 -0.743 1.00 . A A . 5 ARG HG2 1 1
8 940 1 1 5 ARG HG3 H -0.903 3.822 -0.842 1.00 . A A . 5 ARG HG3 1 1
8 941 1 1 5 ARG HH11 H 4.432 7.321 0.665 1.00 . A A . 5 ARG HH11 1 1
8 942 1 1 5 ARG HH12 H 4.092 5.602 1.164 1.00 . A A . 5 ARG HH12 1 1
8 943 1 1 5 ARG HH21 H 2.941 8.488 -0.331 1.00 . A A . 5 ARG HH21 1 1
8 944 1 1 5 ARG HH22 H 1.314 7.718 -0.668 1.00 . A A . 5 ARG HH22 1 1
8 945 1 1 5 ARG N N -0.872 1.030 1.448 1.00 . A A . 5 ARG N 1 1
8 946 1 1 5 ARG NE N 1.842 5.516 0.315 1.00 . A A . 5 ARG NE 1 1
8 947 1 1 5 ARG NH1 N 3.831 6.498 0.744 1.00 . A A . 5 ARG NH1 1 1
8 948 1 1 5 ARG NH2 N 2.273 7.716 -0.311 1.00 . A A . 5 ARG NH2 1 1
8 949 1 1 5 ARG O O 2.186 2.615 2.906 1.00 . A A . 5 ARG O 1 1
8 950 1 1 6 PHE C C 0.873 0.236 6.066 1.00 . A A . 6 PHE C 1 1
8 951 1 1 6 PHE CA C 1.011 1.615 5.344 1.00 . A A . 6 PHE CA 1 1
8 952 1 1 6 PHE CB C 0.356 2.810 6.130 1.00 . A A . 6 PHE CB 1 1
8 953 1 1 6 PHE CD1 C -0.992 4.589 4.893 1.00 . A A . 6 PHE CD1 1 1
8 954 1 1 6 PHE CD2 C -2.190 2.722 5.843 1.00 . A A . 6 PHE CD2 1 1
8 955 1 1 6 PHE CE1 C -2.178 5.073 4.345 1.00 . A A . 6 PHE CE1 1 1
8 956 1 1 6 PHE CE2 C -3.375 3.201 5.289 1.00 . A A . 6 PHE CE2 1 1
8 957 1 1 6 PHE CG C -0.987 3.404 5.639 1.00 . A A . 6 PHE CG 1 1
8 958 1 1 6 PHE CZ C -3.367 4.375 4.540 1.00 . A A . 6 PHE CZ 1 1
8 959 1 1 6 PHE H H -0.372 1.064 3.707 1.00 . A A . 6 PHE H 1 1
8 960 1 1 6 PHE HA H 2.104 1.810 5.330 1.00 . A A . 6 PHE HA 1 1
8 961 1 1 6 PHE HB2 H 0.249 2.548 7.202 1.00 . A A . 6 PHE HB2 1 1
8 962 1 1 6 PHE HB3 H 1.104 3.625 6.167 1.00 . A A . 6 PHE HB3 1 1
8 963 1 1 6 PHE HD1 H -0.071 5.129 4.718 1.00 . A A . 6 PHE HD1 1 1
8 964 1 1 6 PHE HD2 H -2.206 1.812 6.418 1.00 . A A . 6 PHE HD2 1 1
8 965 1 1 6 PHE HE1 H -2.174 5.988 3.771 1.00 . A A . 6 PHE HE1 1 1
8 966 1 1 6 PHE HE2 H -4.301 2.666 5.447 1.00 . A A . 6 PHE HE2 1 1
8 967 1 1 6 PHE HZ H -4.286 4.753 4.114 1.00 . A A . 6 PHE HZ 1 1
8 968 1 1 6 PHE N N 0.531 1.487 3.938 1.00 . A A . 6 PHE N 1 1
8 969 1 1 6 PHE O O 1.850 -0.258 6.629 1.00 . A A . 6 PHE O 1 1
8 970 1 1 7 PHE C C -0.065 -2.991 5.614 1.00 . A A . 7 PHE C 1 1
8 971 1 1 7 PHE CA C -0.519 -1.796 6.554 1.00 . A A . 7 PHE CA 1 1
8 972 1 1 7 PHE CB C -2.028 -1.906 6.973 1.00 . A A . 7 PHE CB 1 1
8 973 1 1 7 PHE CD1 C -3.997 -0.345 7.415 1.00 . A A . 7 PHE CD1 1 1
8 974 1 1 7 PHE CD2 C -2.045 -0.099 8.816 1.00 . A A . 7 PHE CD2 1 1
8 975 1 1 7 PHE CE1 C -4.591 0.743 8.053 1.00 . A A . 7 PHE CE1 1 1
8 976 1 1 7 PHE CE2 C -2.635 0.997 9.444 1.00 . A A . 7 PHE CE2 1 1
8 977 1 1 7 PHE CG C -2.712 -0.767 7.780 1.00 . A A . 7 PHE CG 1 1
8 978 1 1 7 PHE CZ C -3.907 1.417 9.060 1.00 . A A . 7 PHE CZ 1 1
8 979 1 1 7 PHE H H -1.083 0.145 5.652 1.00 . A A . 7 PHE H 1 1
8 980 1 1 7 PHE HA H 0.080 -1.908 7.481 1.00 . A A . 7 PHE HA 1 1
8 981 1 1 7 PHE HB2 H -2.612 -2.098 6.052 1.00 . A A . 7 PHE HB2 1 1
8 982 1 1 7 PHE HB3 H -2.154 -2.838 7.555 1.00 . A A . 7 PHE HB3 1 1
8 983 1 1 7 PHE HD1 H -4.537 -0.846 6.625 1.00 . A A . 7 PHE HD1 1 1
8 984 1 1 7 PHE HD2 H -1.049 -0.397 9.109 1.00 . A A . 7 PHE HD2 1 1
8 985 1 1 7 PHE HE1 H -5.577 1.072 7.760 1.00 . A A . 7 PHE HE1 1 1
8 986 1 1 7 PHE HE2 H -2.102 1.528 10.220 1.00 . A A . 7 PHE HE2 1 1
8 987 1 1 7 PHE HZ H -4.358 2.273 9.543 1.00 . A A . 7 PHE HZ 1 1
8 988 1 1 7 PHE N N -0.305 -0.421 6.004 1.00 . A A . 7 PHE N 1 1
8 989 1 1 7 PHE O O -0.581 -4.102 5.747 1.00 . A A . 7 PHE O 1 1
8 990 1 1 8 CYS C C 2.955 -4.116 4.266 1.00 . A A . 8 CYS C 1 1
8 991 1 1 8 CYS CA C 1.490 -3.845 3.828 1.00 . A A . 8 CYS CA 1 1
8 992 1 1 8 CYS CB C 1.403 -3.418 2.341 1.00 . A A . 8 CYS CB 1 1
8 993 1 1 8 CYS H H 1.300 -1.840 4.734 1.00 . A A . 8 CYS H 1 1
8 994 1 1 8 CYS HA H 0.948 -4.805 3.940 1.00 . A A . 8 CYS HA 1 1
8 995 1 1 8 CYS HB2 H 1.549 -2.329 2.213 1.00 . A A . 8 CYS HB2 1 1
8 996 1 1 8 CYS HB3 H 2.208 -3.885 1.742 1.00 . A A . 8 CYS HB3 1 1
8 997 1 1 8 CYS N N 0.899 -2.783 4.692 1.00 . A A . 8 CYS N 1 1
8 998 1 1 8 CYS O O 3.339 -5.241 4.918 1.00 . A A . 8 CYS O 1 1
8 999 1 1 8 CYS OXT O 3.821 -3.111 3.932 1.00 . A A . 8 CYS OXT 1 1
8 1000 1 1 8 CYS SG S -0.141 -3.902 1.541 1.00 . A A . 8 CYS SG 1 1
9 1001 1 1 1 ACE C C -7.139 -2.867 3.403 1.00 . A A . 1 ACE C 1 1
9 1002 1 1 1 ACE CH3 C -6.339 -3.957 4.100 1.00 . A A . 1 ACE CH3 1 1
9 1003 1 1 1 ACE H1 H -6.984 -4.499 4.813 1.00 . A A . 1 ACE H1 1 1
9 1004 1 1 1 ACE H2 H -5.981 -4.693 3.360 1.00 . A A . 1 ACE H2 1 1
9 1005 1 1 1 ACE H3 H -5.459 -3.589 4.659 1.00 . A A . 1 ACE H3 1 1
9 1006 1 1 1 ACE O O -8.183 -3.149 2.820 1.00 . A A . 1 ACE O 1 1
9 1007 1 1 2 ARG C C -6.715 -0.206 1.390 1.00 . A A . 2 ARG C 1 1
9 1008 1 1 2 ARG CA C -7.293 -0.450 2.828 1.00 . A A . 2 ARG CA 1 1
9 1009 1 1 2 ARG CB C -7.229 0.730 3.856 1.00 . A A . 2 ARG CB 1 1
9 1010 1 1 2 ARG CD C -9.713 1.421 4.291 1.00 . A A . 2 ARG CD 1 1
9 1011 1 1 2 ARG CG C -8.413 0.810 4.858 1.00 . A A . 2 ARG CG 1 1
9 1012 1 1 2 ARG CZ C -10.470 3.695 3.528 1.00 . A A . 2 ARG CZ 1 1
9 1013 1 1 2 ARG H H -5.791 -1.570 4.040 1.00 . A A . 2 ARG H 1 1
9 1014 1 1 2 ARG HA H -8.364 -0.669 2.641 1.00 . A A . 2 ARG HA 1 1
9 1015 1 1 2 ARG HB2 H -6.274 0.702 4.421 1.00 . A A . 2 ARG HB2 1 1
9 1016 1 1 2 ARG HB3 H -7.176 1.696 3.323 1.00 . A A . 2 ARG HB3 1 1
9 1017 1 1 2 ARG HD2 H -10.026 0.871 3.379 1.00 . A A . 2 ARG HD2 1 1
9 1018 1 1 2 ARG HD3 H -10.529 1.271 5.029 1.00 . A A . 2 ARG HD3 1 1
9 1019 1 1 2 ARG HE H -8.625 3.320 4.151 1.00 . A A . 2 ARG HE 1 1
9 1020 1 1 2 ARG HG2 H -8.624 -0.205 5.250 1.00 . A A . 2 ARG HG2 1 1
9 1021 1 1 2 ARG HG3 H -8.102 1.381 5.756 1.00 . A A . 2 ARG HG3 1 1
9 1022 1 1 2 ARG HH11 H -10.868 5.546 2.920 1.00 . A A . 2 ARG HH11 1 1
9 1023 1 1 2 ARG HH12 H -9.170 5.198 3.471 1.00 . A A . 2 ARG HH12 1 1
9 1024 1 1 2 ARG HH21 H -12.363 4.023 2.935 1.00 . A A . 2 ARG HH21 1 1
9 1025 1 1 2 ARG HH22 H -11.899 2.349 3.508 1.00 . A A . 2 ARG HH22 1 1
9 1026 1 1 2 ARG N N -6.639 -1.631 3.471 1.00 . A A . 2 ARG N 1 1
9 1027 1 1 2 ARG NE N -9.536 2.875 4.007 1.00 . A A . 2 ARG NE 1 1
9 1028 1 1 2 ARG NH1 N -10.139 4.931 3.285 1.00 . A A . 2 ARG NH1 1 1
9 1029 1 1 2 ARG NH2 N -11.704 3.327 3.291 1.00 . A A . 2 ARG NH2 1 1
9 1030 1 1 2 ARG O O -6.988 -1.002 0.488 1.00 . A A . 2 ARG O 1 1
9 1031 1 1 3 ALA C C -3.734 0.118 -0.121 1.00 . A A . 3 ALA C 1 1
9 1032 1 1 3 ALA CA C -5.065 0.956 -0.080 1.00 . A A . 3 ALA CA 1 1
9 1033 1 1 3 ALA CB C -4.766 2.463 -0.211 1.00 . A A . 3 ALA CB 1 1
9 1034 1 1 3 ALA H H -5.754 1.460 1.956 1.00 . A A . 3 ALA H 1 1
9 1035 1 1 3 ALA HA H -5.660 0.648 -0.964 1.00 . A A . 3 ALA HA 1 1
9 1036 1 1 3 ALA HB1 H -5.689 3.072 -0.262 1.00 . A A . 3 ALA HB1 1 1
9 1037 1 1 3 ALA HB2 H -4.157 2.850 0.629 1.00 . A A . 3 ALA HB2 1 1
9 1038 1 1 3 ALA HB3 H -4.202 2.679 -1.138 1.00 . A A . 3 ALA HB3 1 1
9 1039 1 1 3 ALA N N -5.902 0.841 1.156 1.00 . A A . 3 ALA N 1 1
9 1040 1 1 3 ALA O O -3.030 0.125 -1.133 1.00 . A A . 3 ALA O 1 1
9 1041 1 1 4 . C C -0.764 -0.265 1.047 1.00 . A A . 4 DCY C 1 1
9 1042 1 1 4 . CA C -2.036 -1.183 1.206 1.00 . A A . 4 DCY CA 1 1
9 1043 1 1 4 . CB C -2.124 -1.809 2.633 1.00 . A A . 4 DCY CB 1 1
9 1044 1 1 4 . H H -4.123 -0.616 1.671 1.00 . A A . 4 DCY H 1 1
9 1045 1 1 4 . HA H -1.934 -2.002 0.467 1.00 . A A . 4 DCY HA 1 1
9 1046 1 1 4 . HB2 H -1.470 -1.280 3.350 1.00 . A A . 4 DCY HB2 1 1
9 1047 1 1 4 . HB3 H -3.128 -1.771 3.096 1.00 . A A . 4 DCY HB3 1 1
9 1048 1 1 4 . N N -3.362 -0.544 0.990 1.00 . A A . 4 DCY N 1 1
9 1049 1 1 4 . O O 0.283 -0.728 0.596 1.00 . A A . 4 DCY O 1 1
9 1050 1 1 4 . SG S -1.650 -3.546 2.645 1.00 . A A . 4 DCY SG 1 1
9 1051 1 1 5 ARG C C 1.126 2.009 2.862 1.00 . A A . 5 ARG C 1 1
9 1052 1 1 5 ARG CA C 0.299 1.967 1.524 1.00 . A A . 5 ARG CA 1 1
9 1053 1 1 5 ARG CB C -0.271 3.388 1.205 1.00 . A A . 5 ARG CB 1 1
9 1054 1 1 5 ARG CD C 0.498 5.393 -0.258 1.00 . A A . 5 ARG CD 1 1
9 1055 1 1 5 ARG CG C 0.039 3.920 -0.219 1.00 . A A . 5 ARG CG 1 1
9 1056 1 1 5 ARG CZ C 2.655 6.577 0.250 1.00 . A A . 5 ARG CZ 1 1
9 1057 1 1 5 ARG H H -1.815 1.281 1.698 1.00 . A A . 5 ARG H 1 1
9 1058 1 1 5 ARG HA H 1.046 1.683 0.754 1.00 . A A . 5 ARG HA 1 1
9 1059 1 1 5 ARG HB2 H -1.364 3.454 1.386 1.00 . A A . 5 ARG HB2 1 1
9 1060 1 1 5 ARG HB3 H 0.105 4.118 1.950 1.00 . A A . 5 ARG HB3 1 1
9 1061 1 1 5 ARG HD2 H 0.478 5.743 -1.310 1.00 . A A . 5 ARG HD2 1 1
9 1062 1 1 5 ARG HD3 H -0.221 6.031 0.297 1.00 . A A . 5 ARG HD3 1 1
9 1063 1 1 5 ARG HE H 2.287 4.705 0.806 1.00 . A A . 5 ARG HE 1 1
9 1064 1 1 5 ARG HG2 H 0.792 3.294 -0.740 1.00 . A A . 5 ARG HG2 1 1
9 1065 1 1 5 ARG HG3 H -0.868 3.800 -0.844 1.00 . A A . 5 ARG HG3 1 1
9 1066 1 1 5 ARG HH11 H 4.449 7.321 0.679 1.00 . A A . 5 ARG HH11 1 1
9 1067 1 1 5 ARG HH12 H 4.119 5.598 1.166 1.00 . A A . 5 ARG HH12 1 1
9 1068 1 1 5 ARG HH21 H 2.952 8.487 -0.309 1.00 . A A . 5 ARG HH21 1 1
9 1069 1 1 5 ARG HH22 H 1.331 7.710 -0.652 1.00 . A A . 5 ARG HH22 1 1
9 1070 1 1 5 ARG N N -0.856 1.015 1.456 1.00 . A A . 5 ARG N 1 1
9 1071 1 1 5 ARG NE N 1.870 5.506 0.317 1.00 . A A . 5 ARG NE 1 1
9 1072 1 1 5 ARG NH1 N 3.852 6.495 0.753 1.00 . A A . 5 ARG NH1 1 1
9 1073 1 1 5 ARG NH2 N 2.288 7.712 -0.294 1.00 . A A . 5 ARG NH2 1 1
9 1074 1 1 5 ARG O O 2.203 2.607 2.907 1.00 . A A . 5 ARG O 1 1
9 1075 1 1 6 PHE C C 0.882 0.221 6.087 1.00 . A A . 6 PHE C 1 1
9 1076 1 1 6 PHE CA C 1.056 1.585 5.343 1.00 . A A . 6 PHE CA 1 1
9 1077 1 1 6 PHE CB C 0.440 2.811 6.114 1.00 . A A . 6 PHE CB 1 1
9 1078 1 1 6 PHE CD1 C -0.916 4.529 4.808 1.00 . A A . 6 PHE CD1 1 1
9 1079 1 1 6 PHE CD2 C -2.119 2.783 5.958 1.00 . A A . 6 PHE CD2 1 1
9 1080 1 1 6 PHE CE1 C -2.113 5.011 4.283 1.00 . A A . 6 PHE CE1 1 1
9 1081 1 1 6 PHE CE2 C -3.316 3.263 5.430 1.00 . A A . 6 PHE CE2 1 1
9 1082 1 1 6 PHE CG C -0.907 3.406 5.641 1.00 . A A . 6 PHE CG 1 1
9 1083 1 1 6 PHE CZ C -3.311 4.373 4.591 1.00 . A A . 6 PHE CZ 1 1
9 1084 1 1 6 PHE H H -0.321 1.003 3.709 1.00 . A A . 6 PHE H 1 1
9 1085 1 1 6 PHE HA H 2.152 1.747 5.323 1.00 . A A . 6 PHE HA 1 1
9 1086 1 1 6 PHE HB2 H 0.367 2.581 7.194 1.00 . A A . 6 PHE HB2 1 1
9 1087 1 1 6 PHE HB3 H 1.198 3.617 6.100 1.00 . A A . 6 PHE HB3 1 1
9 1088 1 1 6 PHE HD1 H 0.013 5.020 4.545 1.00 . A A . 6 PHE HD1 1 1
9 1089 1 1 6 PHE HD2 H -2.131 1.920 6.606 1.00 . A A . 6 PHE HD2 1 1
9 1090 1 1 6 PHE HE1 H -2.108 5.877 3.636 1.00 . A A . 6 PHE HE1 1 1
9 1091 1 1 6 PHE HE2 H -4.249 2.773 5.676 1.00 . A A . 6 PHE HE2 1 1
9 1092 1 1 6 PHE HZ H -4.238 4.748 4.181 1.00 . A A . 6 PHE HZ 1 1
9 1093 1 1 6 PHE N N 0.572 1.446 3.938 1.00 . A A . 6 PHE N 1 1
9 1094 1 1 6 PHE O O 1.852 -0.290 6.650 1.00 . A A . 6 PHE O 1 1
9 1095 1 1 7 PHE C C -0.069 -2.981 5.607 1.00 . A A . 7 PHE C 1 1
9 1096 1 1 7 PHE CA C -0.535 -1.796 6.556 1.00 . A A . 7 PHE CA 1 1
9 1097 1 1 7 PHE CB C -2.048 -1.913 6.953 1.00 . A A . 7 PHE CB 1 1
9 1098 1 1 7 PHE CD1 C -2.086 -0.198 8.877 1.00 . A A . 7 PHE CD1 1 1
9 1099 1 1 7 PHE CD2 C -3.985 -0.306 7.387 1.00 . A A . 7 PHE CD2 1 1
9 1100 1 1 7 PHE CE1 C -2.668 0.881 9.539 1.00 . A A . 7 PHE CE1 1 1
9 1101 1 1 7 PHE CE2 C -4.570 0.766 8.059 1.00 . A A . 7 PHE CE2 1 1
9 1102 1 1 7 PHE CG C -2.730 -0.790 7.783 1.00 . A A . 7 PHE CG 1 1
9 1103 1 1 7 PHE CZ C -3.907 1.364 9.127 1.00 . A A . 7 PHE CZ 1 1
9 1104 1 1 7 PHE H H -1.079 0.168 5.688 1.00 . A A . 7 PHE H 1 1
9 1105 1 1 7 PHE HA H 0.050 -1.924 7.489 1.00 . A A . 7 PHE HA 1 1
9 1106 1 1 7 PHE HB2 H -2.624 -2.080 6.021 1.00 . A A . 7 PHE HB2 1 1
9 1107 1 1 7 PHE HB3 H -2.184 -2.859 7.512 1.00 . A A . 7 PHE HB3 1 1
9 1108 1 1 7 PHE HD1 H -1.114 -0.547 9.196 1.00 . A A . 7 PHE HD1 1 1
9 1109 1 1 7 PHE HD2 H -4.503 -0.745 6.549 1.00 . A A . 7 PHE HD2 1 1
9 1110 1 1 7 PHE HE1 H -2.153 1.353 10.363 1.00 . A A . 7 PHE HE1 1 1
9 1111 1 1 7 PHE HE2 H -5.533 1.144 7.744 1.00 . A A . 7 PHE HE2 1 1
9 1112 1 1 7 PHE HZ H -4.352 2.208 9.637 1.00 . A A . 7 PHE HZ 1 1
9 1113 1 1 7 PHE N N -0.310 -0.411 6.035 1.00 . A A . 7 PHE N 1 1
9 1114 1 1 7 PHE O O -0.556 -4.105 5.746 1.00 . A A . 7 PHE O 1 1
9 1115 1 1 8 CYS C C 2.965 -4.057 4.284 1.00 . A A . 8 CYS C 1 1
9 1116 1 1 8 CYS CA C 1.505 -3.799 3.821 1.00 . A A . 8 CYS CA 1 1
9 1117 1 1 8 CYS CB C 1.463 -3.356 2.335 1.00 . A A . 8 CYS CB 1 1
9 1118 1 1 8 CYS H H 1.267 -1.801 4.724 1.00 . A A . 8 CYS H 1 1
9 1119 1 1 8 CYS HA H 0.971 -4.765 3.908 1.00 . A A . 8 CYS HA 1 1
9 1120 1 1 8 CYS HB2 H 1.606 -2.265 2.224 1.00 . A A . 8 CYS HB2 1 1
9 1121 1 1 8 CYS HB3 H 2.287 -3.812 1.756 1.00 . A A . 8 CYS HB3 1 1
9 1122 1 1 8 CYS N N 0.877 -2.749 4.671 1.00 . A A . 8 CYS N 1 1
9 1123 1 1 8 CYS O O 3.389 -5.246 4.776 1.00 . A A . 8 CYS O 1 1
9 1124 1 1 8 CYS OXT O 3.783 -2.967 4.146 1.00 . A A . 8 CYS OXT 1 1
9 1125 1 1 8 CYS SG S -0.054 -3.841 1.491 1.00 . A A . 8 CYS SG 1 1
10 1126 1 1 1 ACE C C -7.134 -2.857 3.374 1.00 . A A . 1 ACE C 1 1
10 1127 1 1 1 ACE CH3 C -6.315 -3.922 4.080 1.00 . A A . 1 ACE CH3 1 1
10 1128 1 1 1 ACE H1 H -5.352 -4.097 3.566 1.00 . A A . 1 ACE H1 1 1
10 1129 1 1 1 ACE H2 H -6.109 -3.657 5.132 1.00 . A A . 1 ACE H2 1 1
10 1130 1 1 1 ACE H3 H -6.860 -4.884 4.087 1.00 . A A . 1 ACE H3 1 1
10 1131 1 1 1 ACE O O -8.186 -3.147 2.807 1.00 . A A . 1 ACE O 1 1
10 1132 1 1 2 ARG C C -6.683 -0.144 1.386 1.00 . A A . 2 ARG C 1 1
10 1133 1 1 2 ARG CA C -7.299 -0.444 2.793 1.00 . A A . 2 ARG CA 1 1
10 1134 1 1 2 ARG CB C -7.312 0.706 3.853 1.00 . A A . 2 ARG CB 1 1
10 1135 1 1 2 ARG CD C -9.556 1.694 4.723 1.00 . A A . 2 ARG CD 1 1
10 1136 1 1 2 ARG CG C -8.462 0.614 4.893 1.00 . A A . 2 ARG CG 1 1
10 1137 1 1 2 ARG CZ C -9.339 3.313 6.637 1.00 . A A . 2 ARG CZ 1 1
10 1138 1 1 2 ARG H H -5.785 -1.560 3.998 1.00 . A A . 2 ARG H 1 1
10 1139 1 1 2 ARG HA H -8.358 -0.681 2.560 1.00 . A A . 2 ARG HA 1 1
10 1140 1 1 2 ARG HB2 H -6.338 0.757 4.381 1.00 . A A . 2 ARG HB2 1 1
10 1141 1 1 2 ARG HB3 H -7.371 1.684 3.339 1.00 . A A . 2 ARG HB3 1 1
10 1142 1 1 2 ARG HD2 H -9.764 1.852 3.644 1.00 . A A . 2 ARG HD2 1 1
10 1143 1 1 2 ARG HD3 H -10.528 1.331 5.111 1.00 . A A . 2 ARG HD3 1 1
10 1144 1 1 2 ARG HE H -8.742 3.740 4.794 1.00 . A A . 2 ARG HE 1 1
10 1145 1 1 2 ARG HG2 H -8.938 -0.386 4.843 1.00 . A A . 2 ARG HG2 1 1
10 1146 1 1 2 ARG HG3 H -8.041 0.643 5.918 1.00 . A A . 2 ARG HG3 1 1
10 1147 1 1 2 ARG HH11 H -9.102 4.709 8.030 1.00 . A A . 2 ARG HH11 1 1
10 1148 1 1 2 ARG HH12 H -8.557 5.118 6.343 1.00 . A A . 2 ARG HH12 1 1
10 1149 1 1 2 ARG HH21 H -9.961 2.812 8.488 1.00 . A A . 2 ARG HH21 1 1
10 1150 1 1 2 ARG HH22 H -10.125 1.590 7.136 1.00 . A A . 2 ARG HH22 1 1
10 1151 1 1 2 ARG N N -6.629 -1.623 3.424 1.00 . A A . 2 ARG N 1 1
10 1152 1 1 2 ARG NE N -9.170 2.994 5.351 1.00 . A A . 2 ARG NE 1 1
10 1153 1 1 2 ARG NH1 N -8.960 4.492 7.041 1.00 . A A . 2 ARG NH1 1 1
10 1154 1 1 2 ARG NH2 N -9.862 2.499 7.521 1.00 . A A . 2 ARG NH2 1 1
10 1155 1 1 2 ARG O O -6.933 -0.904 0.447 1.00 . A A . 2 ARG O 1 1
10 1156 1 1 3 ALA C C -3.703 0.177 -0.086 1.00 . A A . 3 ALA C 1 1
10 1157 1 1 3 ALA CA C -5.001 1.064 0.002 1.00 . A A . 3 ALA CA 1 1
10 1158 1 1 3 ALA CB C -4.645 2.565 -0.036 1.00 . A A . 3 ALA CB 1 1
10 1159 1 1 3 ALA H H -5.730 1.494 2.044 1.00 . A A . 3 ALA H 1 1
10 1160 1 1 3 ALA HA H -5.596 0.835 -0.905 1.00 . A A . 3 ALA HA 1 1
10 1161 1 1 3 ALA HB1 H -4.033 2.878 0.831 1.00 . A A . 3 ALA HB1 1 1
10 1162 1 1 3 ALA HB2 H -4.063 2.814 -0.945 1.00 . A A . 3 ALA HB2 1 1
10 1163 1 1 3 ALA HB3 H -5.545 3.208 -0.058 1.00 . A A . 3 ALA HB3 1 1
10 1164 1 1 3 ALA N N -5.855 0.904 1.217 1.00 . A A . 3 ALA N 1 1
10 1165 1 1 3 ALA O O -2.967 0.263 -1.073 1.00 . A A . 3 ALA O 1 1
10 1166 1 1 4 . C C -0.795 -0.422 1.056 1.00 . A A . 4 DCY C 1 1
10 1167 1 1 4 . CA C -2.090 -1.311 1.147 1.00 . A A . 4 DCY CA 1 1
10 1168 1 1 4 . CB C -2.208 -2.026 2.527 1.00 . A A . 4 DCY CB 1 1
10 1169 1 1 4 . H H -4.171 -0.718 1.615 1.00 . A A . 4 DCY H 1 1
10 1170 1 1 4 . HA H -2.008 -2.085 0.360 1.00 . A A . 4 DCY HA 1 1
10 1171 1 1 4 . HB2 H -1.664 -1.477 3.319 1.00 . A A . 4 DCY HB2 1 1
10 1172 1 1 4 . HB3 H -3.243 -2.110 2.910 1.00 . A A . 4 DCY HB3 1 1
10 1173 1 1 4 . N N -3.392 -0.613 0.958 1.00 . A A . 4 DCY N 1 1
10 1174 1 1 4 . O O 0.228 -0.868 0.535 1.00 . A A . 4 DCY O 1 1
10 1175 1 1 4 . SG S -1.579 -3.714 2.482 1.00 . A A . 4 DCY SG 1 1
10 1176 1 1 5 ARG C C 1.019 1.800 2.983 1.00 . A A . 5 ARG C 1 1
10 1177 1 1 5 ARG CA C 0.298 1.772 1.595 1.00 . A A . 5 ARG CA 1 1
10 1178 1 1 5 ARG CB C -0.192 3.184 1.123 1.00 . A A . 5 ARG CB 1 1
10 1179 1 1 5 ARG CD C 0.408 5.281 -0.304 1.00 . A A . 5 ARG CD 1 1
10 1180 1 1 5 ARG CG C 0.648 3.783 -0.032 1.00 . A A . 5 ARG CG 1 1
10 1181 1 1 5 ARG CZ C -1.332 6.741 -1.369 1.00 . A A . 5 ARG CZ 1 1
10 1182 1 1 5 ARG H H -1.801 1.079 1.855 1.00 . A A . 5 ARG H 1 1
10 1183 1 1 5 ARG HA H 1.067 1.415 0.878 1.00 . A A . 5 ARG HA 1 1
10 1184 1 1 5 ARG HB2 H -1.253 3.170 0.804 1.00 . A A . 5 ARG HB2 1 1
10 1185 1 1 5 ARG HB3 H -0.190 3.891 1.977 1.00 . A A . 5 ARG HB3 1 1
10 1186 1 1 5 ARG HD2 H 0.432 5.838 0.656 1.00 . A A . 5 ARG HD2 1 1
10 1187 1 1 5 ARG HD3 H 1.264 5.668 -0.895 1.00 . A A . 5 ARG HD3 1 1
10 1188 1 1 5 ARG HE H -1.391 4.753 -1.445 1.00 . A A . 5 ARG HE 1 1
10 1189 1 1 5 ARG HG2 H 1.722 3.657 0.212 1.00 . A A . 5 ARG HG2 1 1
10 1190 1 1 5 ARG HG3 H 0.505 3.186 -0.956 1.00 . A A . 5 ARG HG3 1 1
10 1191 1 1 5 ARG HH11 H -2.722 7.752 -2.366 1.00 . A A . 5 ARG HH11 1 1
10 1192 1 1 5 ARG HH12 H -2.790 5.935 -2.457 1.00 . A A . 5 ARG HH12 1 1
10 1193 1 1 5 ARG HH21 H -1.207 8.748 -1.254 1.00 . A A . 5 ARG HH21 1 1
10 1194 1 1 5 ARG HH22 H 0.043 7.736 -0.382 1.00 . A A . 5 ARG HH22 1 1
10 1195 1 1 5 ARG N N -0.851 0.821 1.572 1.00 . A A . 5 ARG N 1 1
10 1196 1 1 5 ARG NE N -0.857 5.532 -1.052 1.00 . A A . 5 ARG NE 1 1
10 1197 1 1 5 ARG NH1 N -2.391 6.816 -2.124 1.00 . A A . 5 ARG NH1 1 1
10 1198 1 1 5 ARG NH2 N -0.786 7.862 -0.965 1.00 . A A . 5 ARG NH2 1 1
10 1199 1 1 5 ARG O O 2.243 1.662 3.043 1.00 . A A . 5 ARG O 1 1
10 1200 1 1 6 PHE C C 0.615 0.637 6.281 1.00 . A A . 6 PHE C 1 1
10 1201 1 1 6 PHE CA C 0.816 1.978 5.479 1.00 . A A . 6 PHE CA 1 1
10 1202 1 1 6 PHE CB C 0.221 3.208 6.240 1.00 . A A . 6 PHE CB 1 1
10 1203 1 1 6 PHE CD1 C -0.698 5.164 4.887 1.00 . A A . 6 PHE CD1 1 1
10 1204 1 1 6 PHE CD2 C 1.654 5.168 5.435 1.00 . A A . 6 PHE CD2 1 1
10 1205 1 1 6 PHE CE1 C -0.519 6.302 4.104 1.00 . A A . 6 PHE CE1 1 1
10 1206 1 1 6 PHE CE2 C 1.832 6.307 4.651 1.00 . A A . 6 PHE CE2 1 1
10 1207 1 1 6 PHE CG C 0.388 4.582 5.549 1.00 . A A . 6 PHE CG 1 1
10 1208 1 1 6 PHE CZ C 0.748 6.869 3.982 1.00 . A A . 6 PHE CZ 1 1
10 1209 1 1 6 PHE H H -0.724 2.148 3.893 1.00 . A A . 6 PHE H 1 1
10 1210 1 1 6 PHE HA H 1.915 2.126 5.449 1.00 . A A . 6 PHE HA 1 1
10 1211 1 1 6 PHE HB2 H -0.847 3.019 6.463 1.00 . A A . 6 PHE HB2 1 1
10 1212 1 1 6 PHE HB3 H 0.686 3.267 7.244 1.00 . A A . 6 PHE HB3 1 1
10 1213 1 1 6 PHE HD1 H -1.680 4.714 4.946 1.00 . A A . 6 PHE HD1 1 1
10 1214 1 1 6 PHE HD2 H 2.509 4.719 5.920 1.00 . A A . 6 PHE HD2 1 1
10 1215 1 1 6 PHE HE1 H -1.358 6.735 3.579 1.00 . A A . 6 PHE HE1 1 1
10 1216 1 1 6 PHE HE2 H 2.816 6.743 4.550 1.00 . A A . 6 PHE HE2 1 1
10 1217 1 1 6 PHE HZ H 0.891 7.745 3.366 1.00 . A A . 6 PHE HZ 1 1
10 1218 1 1 6 PHE N N 0.266 1.975 4.083 1.00 . A A . 6 PHE N 1 1
10 1219 1 1 6 PHE O O 1.047 0.552 7.432 1.00 . A A . 6 PHE O 1 1
10 1220 1 1 7 PHE C C 0.005 -2.945 5.488 1.00 . A A . 7 PHE C 1 1
10 1221 1 1 7 PHE CA C -0.345 -1.691 6.384 1.00 . A A . 7 PHE CA 1 1
10 1222 1 1 7 PHE CB C -1.850 -1.671 6.830 1.00 . A A . 7 PHE CB 1 1
10 1223 1 1 7 PHE CD1 C -3.081 0.552 7.040 1.00 . A A . 7 PHE CD1 1 1
10 1224 1 1 7 PHE CD2 C -1.977 -0.324 9.002 1.00 . A A . 7 PHE CD2 1 1
10 1225 1 1 7 PHE CE1 C -3.430 1.700 7.747 1.00 . A A . 7 PHE CE1 1 1
10 1226 1 1 7 PHE CE2 C -2.328 0.825 9.708 1.00 . A A . 7 PHE CE2 1 1
10 1227 1 1 7 PHE CG C -2.344 -0.465 7.660 1.00 . A A . 7 PHE CG 1 1
10 1228 1 1 7 PHE CZ C -3.050 1.838 9.079 1.00 . A A . 7 PHE CZ 1 1
10 1229 1 1 7 PHE H H -0.284 -0.205 4.724 1.00 . A A . 7 PHE H 1 1
10 1230 1 1 7 PHE HA H 0.271 -1.800 7.299 1.00 . A A . 7 PHE HA 1 1
10 1231 1 1 7 PHE HB2 H -2.487 -1.786 5.932 1.00 . A A . 7 PHE HB2 1 1
10 1232 1 1 7 PHE HB3 H -2.057 -2.593 7.406 1.00 . A A . 7 PHE HB3 1 1
10 1233 1 1 7 PHE HD1 H -3.353 0.471 5.998 1.00 . A A . 7 PHE HD1 1 1
10 1234 1 1 7 PHE HD2 H -1.390 -1.089 9.491 1.00 . A A . 7 PHE HD2 1 1
10 1235 1 1 7 PHE HE1 H -3.979 2.492 7.259 1.00 . A A . 7 PHE HE1 1 1
10 1236 1 1 7 PHE HE2 H -2.025 0.939 10.740 1.00 . A A . 7 PHE HE2 1 1
10 1237 1 1 7 PHE HZ H -3.307 2.735 9.626 1.00 . A A . 7 PHE HZ 1 1
10 1238 1 1 7 PHE N N -0.027 -0.398 5.696 1.00 . A A . 7 PHE N 1 1
10 1239 1 1 7 PHE O O -0.759 -3.914 5.434 1.00 . A A . 7 PHE O 1 1
10 1240 1 1 8 CYS C C 2.943 -4.569 4.080 1.00 . A A . 8 CYS C 1 1
10 1241 1 1 8 CYS CA C 1.545 -3.961 3.779 1.00 . A A . 8 CYS CA 1 1
10 1242 1 1 8 CYS CB C 1.520 -3.305 2.370 1.00 . A A . 8 CYS CB 1 1
10 1243 1 1 8 CYS H H 1.713 -2.082 4.923 1.00 . A A . 8 CYS H 1 1
10 1244 1 1 8 CYS HA H 0.834 -4.811 3.784 1.00 . A A . 8 CYS HA 1 1
10 1245 1 1 8 CYS HB2 H 1.528 -2.198 2.402 1.00 . A A . 8 CYS HB2 1 1
10 1246 1 1 8 CYS HB3 H 2.408 -3.570 1.765 1.00 . A A . 8 CYS HB3 1 1
10 1247 1 1 8 CYS N N 1.157 -2.932 4.786 1.00 . A A . 8 CYS N 1 1
10 1248 1 1 8 CYS O O 3.872 -3.978 4.870 1.00 . A A . 8 CYS O 1 1
10 1249 1 1 8 CYS OXT O 3.125 -5.768 3.454 1.00 . A A . 8 CYS OXT 1 1
10 1250 1 1 8 CYS SG S 0.092 -3.831 1.402 1.00 . A A . 8 CYS SG 1 1
stop_
save_