Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
607947 | 5lff RC | 34016 | cing | 4-filtered-FRED | STAR | entry | full | 61 |
data_FRED_restraints_with_modified_coordinates_PDB_code_5lff
# This FRED archive file contains, for PDB entry <5lff>:
#
# - 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_5lff
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 5lff
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 900.08
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 $ARG_ALA_CYS_ARG_PHE_PHE_CYS A . 1 1
stop_
save_
save_ARG_ALA_CYS_ARG_PHE_PHE_CYS
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "ARG ALA CYS ARG PHE PHE CYS"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code RACRFFC
_Entity.Number_of_monomers 7
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 ARG . 1 1
2 ALA . 1 1
3 CYS . 1 1
4 ARG . 1 1
5 PHE . 1 1
6 PHE . 1 1
7 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
ARG 1 1 1 1
ALA 2 2 1 1
CYS 3 3 1 1
ARG 4 4 1 1
PHE 5 5 1 1
PHE 6 6 1 1
CYS 7 7 1 1
stop_
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
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 ARG HA . 1 ARG+ HA 1 1
1 1 2 1 1 2 ALA H . 2 ALA HN 1 1
2 1 1 1 1 1 ARG HA . 1 ARG+ HA 1 1
2 1 2 1 1 2 ALA MB . 2 ALA QB 1 1
3 1 1 1 1 1 ARG HA . 1 ARG+ HA 1 1
3 1 2 1 1 3 CYS H . 3 CYSS HN 1 1
4 1 1 1 1 1 ARG QB . 1 ARG+ HB2 1 1
4 1 2 1 1 1 ARG HE . 1 ARG+ HE 1 1
5 1 1 1 1 1 ARG QB . 1 ARG+ HB2 1 1
5 1 2 1 1 2 ALA H . 2 ALA HN 1 1
6 1 1 1 1 1 ARG QB . 1 ARG+ HB2 1 1
6 1 2 1 1 3 CYS H . 3 CYSS HN 1 1
7 1 1 1 1 1 ARG QD . 1 ARG+ QD 1 1
7 1 2 1 1 2 ALA H . 2 ALA HN 1 1
8 1 1 1 1 1 ARG QG . 1 ARG+ QG 1 1
8 1 2 1 1 3 CYS HA . 3 CYSS HA 1 1
9 1 1 1 1 1 ARG HG2 . 1 ARG+ HG2 1 1
9 1 2 1 1 2 ALA H . 2 ALA HN 1 1
10 1 1 1 1 1 ARG HG2 . 1 ARG+ HG2 1 1
10 1 2 1 1 3 CYS H . 3 CYSS HN 1 1
11 1 1 1 1 1 ARG HG3 . 1 ARG+ HG3 1 1
11 1 2 1 1 2 ALA H . 2 ALA HN 1 1
12 1 1 1 1 1 ARG HG3 . 1 ARG+ HG3 1 1
12 1 2 1 1 3 CYS H . 3 CYSS HN 1 1
13 1 1 1 1 2 ALA H . 2 ALA HN 1 1
13 1 2 1 1 3 CYS H . 3 CYSS HN 1 1
14 1 1 1 1 2 ALA HA . 2 ALA HA 1 1
14 1 2 1 1 3 CYS H . 3 CYSS HN 1 1
15 1 1 1 1 2 ALA HA . 2 ALA HA 1 1
15 1 2 1 1 3 CYS QB . 3 CYSS HB2 1 1
16 1 1 1 1 2 ALA MB . 2 ALA QB 1 1
16 1 2 1 1 3 CYS H . 3 CYSS HN 1 1
17 1 1 1 1 3 CYS H . 3 CYSS HN 1 1
17 1 2 1 1 3 CYS HA . 3 CYSS HA 1 1
18 1 1 1 1 3 CYS H . 3 CYSS HN 1 1
18 1 2 1 1 3 CYS QB . 3 CYSS HB2 1 1
19 1 1 1 1 3 CYS HA . 3 CYSS HA 1 1
19 1 2 1 1 4 ARG H . 4 ARG+ HN 1 1
20 1 1 1 1 3 CYS QB . 3 CYSS HB2 1 1
20 1 2 1 1 4 ARG H . 4 ARG+ HN 1 1
21 1 1 1 1 3 CYS QB . 3 CYSS HB2 1 1
21 1 2 1 1 5 PHE H . 5 PHE HN 1 1
22 1 1 1 1 4 ARG H . 4 ARG+ HN 1 1
22 1 2 1 1 4 ARG QB . 4 ARG+ HB2 1 1
23 1 1 1 1 4 ARG H . 4 ARG+ HN 1 1
23 1 2 1 1 4 ARG QD . 4 ARG+ QD 1 1
24 1 1 1 1 4 ARG H . 4 ARG+ HN 1 1
24 1 2 1 1 4 ARG HG2 . 4 ARG+ HG2 1 1
25 1 1 1 1 4 ARG H . 4 ARG+ HN 1 1
25 1 2 1 1 4 ARG HG3 . 4 ARG+ HG3 1 1
26 1 1 1 1 4 ARG H . 4 ARG+ HN 1 1
26 1 2 1 1 5 PHE H . 5 PHE HN 1 1
27 1 1 1 1 4 ARG H . 4 ARG+ HN 1 1
27 1 2 1 1 5 PHE QB . 5 PHE QB 1 1
28 1 1 1 1 4 ARG H . 4 ARG+ HN 1 1
28 1 2 1 1 5 PHE QD . 5 PHE QD 1 1
29 1 1 1 1 4 ARG H . 4 ARG+ HN 1 1
29 1 2 1 1 6 PHE H . 6 PHE HN 1 1
30 1 1 1 1 4 ARG HA . 4 ARG+ HA 1 1
30 1 2 1 1 5 PHE H . 5 PHE HN 1 1
31 1 1 1 1 4 ARG HA . 4 ARG+ HA 1 1
31 1 2 1 1 5 PHE QD . 5 PHE QD 1 1
32 1 1 1 1 4 ARG HA . 4 ARG+ HA 1 1
32 1 2 1 1 6 PHE H . 6 PHE HN 1 1
33 1 1 1 1 4 ARG QB . 4 ARG+ HB2 1 1
33 1 2 1 1 4 ARG HE . 4 ARG+ HE 1 1
34 1 1 1 1 4 ARG QB . 4 ARG+ HB2 1 1
34 1 2 1 1 5 PHE H . 5 PHE HN 1 1
35 1 1 1 1 4 ARG QB . 4 ARG+ HB2 1 1
35 1 2 1 1 5 PHE QB . 5 PHE QB 1 1
36 1 1 1 1 4 ARG QB . 4 ARG+ HB2 1 1
36 1 2 1 1 5 PHE QD . 5 PHE QD 1 1
37 1 1 1 1 4 ARG QB . 4 ARG+ HB2 1 1
37 1 2 1 1 5 PHE QE . 5 PHE QE 1 1
38 1 1 1 1 4 ARG QB . 4 ARG+ HB2 1 1
38 1 2 1 1 6 PHE H . 6 PHE HN 1 1
39 1 1 1 1 4 ARG QD . 4 ARG+ QD 1 1
39 1 2 1 1 5 PHE H . 5 PHE HN 1 1
40 1 1 1 1 4 ARG QD . 4 ARG+ QD 1 1
40 1 2 1 1 5 PHE QE . 5 PHE QE 1 1
41 1 1 1 1 4 ARG HE . 4 ARG+ HE 1 1
41 1 2 1 1 5 PHE H . 5 PHE HN 1 1
42 1 1 1 1 4 ARG HG2 . 4 ARG+ HG2 1 1
42 1 2 1 1 5 PHE H . 5 PHE HN 1 1
43 1 1 1 1 4 ARG HG2 . 4 ARG+ HG2 1 1
43 1 2 1 1 5 PHE QD . 5 PHE QD 1 1
44 1 1 1 1 4 ARG HG2 . 4 ARG+ HG2 1 1
44 1 2 1 1 5 PHE QE . 5 PHE QE 1 1
45 1 1 1 1 4 ARG HG3 . 4 ARG+ HG3 1 1
45 1 2 1 1 5 PHE H . 5 PHE HN 1 1
46 1 1 1 1 4 ARG HG3 . 4 ARG+ HG3 1 1
46 1 2 1 1 5 PHE QD . 5 PHE QD 1 1
47 1 1 1 1 4 ARG HG3 . 4 ARG+ HG3 1 1
47 1 2 1 1 5 PHE QE . 5 PHE QE 1 1
48 1 1 1 1 5 PHE H . 5 PHE HN 1 1
48 1 2 1 1 6 PHE H . 6 PHE HN 1 1
49 1 1 1 1 5 PHE H . 5 PHE HN 1 1
49 1 2 1 1 6 PHE QD . 6 PHE QD 1 1
50 1 1 1 1 5 PHE HA . 5 PHE HA 1 1
50 1 2 1 1 6 PHE H . 6 PHE HN 1 1
51 1 1 1 1 5 PHE QB . 5 PHE QB 1 1
51 1 2 1 1 6 PHE H . 6 PHE HN 1 1
52 1 1 1 1 5 PHE QB . 5 PHE QB 1 1
52 1 2 1 1 6 PHE QB . 6 PHE QB 1 1
53 1 1 1 1 5 PHE QB . 5 PHE QB 1 1
53 1 2 1 1 6 PHE QD . 6 PHE QD 1 1
54 1 1 1 1 5 PHE QD . 5 PHE QD 1 1
54 1 2 1 1 6 PHE H . 6 PHE HN 1 1
55 1 1 1 1 6 PHE H . 6 PHE HN 1 1
55 1 2 1 1 6 PHE HA . 6 PHE HA 1 1
56 1 1 1 1 6 PHE H . 6 PHE HN 1 1
56 1 2 1 1 6 PHE HB2 . 6 PHE HB2 1 1
57 1 1 1 1 6 PHE H . 6 PHE HN 1 1
57 1 2 1 1 6 PHE QB . 6 PHE QB 1 1
58 1 1 1 1 6 PHE H . 6 PHE HN 1 1
58 1 2 1 1 6 PHE HB3 . 6 PHE HB3 1 1
59 1 1 1 1 6 PHE HA . 6 PHE HA 1 1
59 1 2 1 1 7 CYS H . 7 CYSS HN 1 1
60 1 1 1 1 7 CYS H . 7 CYSS HN 1 1
60 1 2 1 1 7 CYS HA . 7 CYSS HA 1 1
61 1 1 1 1 7 CYS H . 7 CYSS HN 1 1
61 1 2 1 1 7 CYS QB . 7 CYSS HB2 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 . . . . . . . 2.56 1 1
2 1 . . . . . . . 6.03 1 1
3 1 . . . . . . . 4.6 1 1
4 1 . . . . . . . 5.0 1 1
5 1 . . . . . . . 2.91 1 1
6 1 . . . . . . . 3.83 1 1
7 1 . . . . . . . 5.88 1 1
8 1 . . . . . . . 4.87 1 1
9 1 . . . . . . . 5.0 1 1
10 1 . . . . . . . 5.0 1 1
11 1 . . . . . . . 5.0 1 1
12 1 . . . . . . . 5.0 1 1
13 1 . . . . . . . 3.32 1 1
14 1 . . . . . . . 2.6 1 1
15 1 . . . . . . . 4.52 1 1
16 1 . . . . . . . 6.03 1 1
17 1 . . . . . . . 2.68 1 1
18 1 . . . . . . . 3.16 1 1
19 1 . . . . . . . 2.64 1 1
20 1 . . . . . . . 3.24 1 1
21 1 . . . . . . . 3.77 1 1
22 1 . . . . . . . 2.73 1 1
23 1 . . . . . . . 5.88 1 1
24 1 . . . . . . . 5.0 1 1
25 1 . . . . . . . 5.0 1 1
26 1 . . . . . . . 2.76 1 1
27 1 . . . . . . . 5.88 1 1
28 1 . . . . . . . 7.12 1 1
29 1 . . . . . . . 3.92 1 1
30 1 . . . . . . . 3.36 1 1
31 1 . . . . . . . 7.12 1 1
32 1 . . . . . . . 4.96 1 1
33 1 . . . . . . . 5.0 1 1
34 1 . . . . . . . 3.2 1 1
35 1 . . . . . . . 5.88 1 1
36 1 . . . . . . . 7.12 1 1
37 1 . . . . . . . 7.12 1 1
38 1 . . . . . . . 4.29 1 1
39 1 . . . . . . . 5.88 1 1
40 1 . . . . . . . 8.0 1 1
41 1 . . . . . . . 5.0 1 1
42 1 . . . . . . . 5.0 1 1
43 1 . . . . . . . 7.12 1 1
44 1 . . . . . . . 7.12 1 1
45 1 . . . . . . . 5.0 1 1
46 1 . . . . . . . 7.12 1 1
47 1 . . . . . . . 7.12 1 1
48 1 . . . . . . . 2.92 1 1
49 1 . . . . . . . 7.12 1 1
50 1 . . . . . . . 3.0 1 1
51 1 . . . . . . . 4.16 1 1
52 1 . . . . . . . 5.7 1 1
53 1 . . . . . . . 8.0 1 1
54 1 . . . . . . . 7.12 1 1
55 1 . . . . . . . 2.88 1 1
56 1 . . . . . . . 3.44 1 1
57 1 . . . . . . . 2.85 1 1
58 1 . . . . . . . 3.44 1 1
59 1 . . . . . . . 2.8 1 1
60 1 . . . . . . . 2.88 1 1
61 1 . . . . . . . 2.68 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ARG C C 1.978 -7.599 -0.910 1.00 . A A . 1 ARG C 1 1
1 2 1 1 1 ARG CA C 0.904 -8.684 -0.625 1.00 . A A . 1 ARG CA 1 1
1 3 1 1 1 ARG CB C -0.103 -8.243 0.473 1.00 . A A . 1 ARG CB 1 1
1 4 1 1 1 ARG CD C -1.958 -6.548 1.180 1.00 . A A . 1 ARG CD 1 1
1 5 1 1 1 ARG CG C -1.044 -7.082 0.059 1.00 . A A . 1 ARG CG 1 1
1 6 1 1 1 ARG CZ C -3.888 -7.337 2.570 1.00 . A A . 1 ARG CZ 1 1
1 7 1 1 1 ARG H2 H 1.869 -10.460 -1.054 1.00 . A A . 1 ARG H2 1 1
1 8 1 1 1 ARG HA H 0.330 -8.909 -1.545 1.00 . A A . 1 ARG HA 1 1
1 9 1 1 1 ARG HB2 H -0.731 -9.107 0.766 1.00 . A A . 1 ARG HB2 1 1
1 10 1 1 1 ARG HB3 H 0.448 -7.965 1.393 1.00 . A A . 1 ARG HB3 1 1
1 11 1 1 1 ARG HD2 H -1.341 -6.248 2.051 1.00 . A A . 1 ARG HD2 1 1
1 12 1 1 1 ARG HD3 H -2.448 -5.620 0.824 1.00 . A A . 1 ARG HD3 1 1
1 13 1 1 1 ARG HE H -3.060 -8.448 1.131 1.00 . A A . 1 ARG HE 1 1
1 14 1 1 1 ARG HG2 H -0.433 -6.232 -0.299 1.00 . A A . 1 ARG HG2 1 1
1 15 1 1 1 ARG HG3 H -1.653 -7.380 -0.815 1.00 . A A . 1 ARG HG3 1 1
1 16 1 1 1 ARG HH11 H -5.403 -8.144 3.598 1.00 . A A . 1 ARG HH11 1 1
1 17 1 1 1 ARG HH12 H -4.644 -9.164 2.280 1.00 . A A . 1 ARG HH12 1 1
1 18 1 1 1 ARG HH21 H -4.694 -6.187 4.011 1.00 . A A . 1 ARG HH21 1 1
1 19 1 1 1 ARG HH22 H -3.302 -5.485 3.046 1.00 . A A . 1 ARG HH22 1 1
1 20 1 1 1 ARG N N 1.560 -9.946 -0.216 1.00 . A A . 1 ARG N 1 1
1 21 1 1 1 ARG NE N -2.995 -7.532 1.586 1.00 . A A . 1 ARG NE 1 1
1 22 1 1 1 ARG NH1 N -4.731 -8.310 2.842 1.00 . A A . 1 ARG NH1 1 1
1 23 1 1 1 ARG NH2 N -3.973 -6.222 3.284 1.00 . A A . 1 ARG NH2 1 1
1 24 1 1 1 ARG O O 2.824 -7.305 -0.057 1.00 . A A . 1 ARG O 1 1
1 25 1 1 2 ALA C C 2.004 -4.442 -1.976 1.00 . A A . 2 ALA C 1 1
1 26 1 1 2 ALA CA C 2.708 -5.761 -2.418 1.00 . A A . 2 ALA CA 1 1
1 27 1 1 2 ALA CB C 3.019 -5.816 -3.929 1.00 . A A . 2 ALA CB 1 1
1 28 1 1 2 ALA H H 1.130 -7.279 -2.705 1.00 . A A . 2 ALA H 1 1
1 29 1 1 2 ALA HA H 3.689 -5.818 -1.904 1.00 . A A . 2 ALA HA 1 1
1 30 1 1 2 ALA HB1 H 2.103 -5.773 -4.549 1.00 . A A . 2 ALA HB1 1 1
1 31 1 1 2 ALA HB2 H 3.656 -4.966 -4.238 1.00 . A A . 2 ALA HB2 1 1
1 32 1 1 2 ALA HB3 H 3.563 -6.739 -4.208 1.00 . A A . 2 ALA HB3 1 1
1 33 1 1 2 ALA N N 1.884 -6.954 -2.088 1.00 . A A . 2 ALA N 1 1
1 34 1 1 2 ALA O O 1.469 -3.696 -2.805 1.00 . A A . 2 ALA O 1 1
1 35 1 1 3 CYS C C -0.149 -2.812 -0.196 1.00 . A A . 3 CYS C 1 1
1 36 1 1 3 CYS CA C 1.409 -2.940 -0.036 1.00 . A A . 3 CYS CA 1 1
1 37 1 1 3 CYS CB C 2.210 -1.679 -0.482 1.00 . A A . 3 CYS CB 1 1
1 38 1 1 3 CYS H H 2.478 -4.876 -0.078 1.00 . A A . 3 CYS H 1 1
1 39 1 1 3 CYS HA H 1.596 -3.049 1.049 1.00 . A A . 3 CYS HA 1 1
1 40 1 1 3 CYS HB2 H 3.301 -1.863 -0.449 1.00 . A A . 3 CYS HB2 1 1
1 41 1 1 3 CYS HB3 H 1.975 -1.413 -1.530 1.00 . A A . 3 CYS HB3 1 1
1 42 1 1 3 CYS N N 2.012 -4.163 -0.649 1.00 . A A . 3 CYS N 1 1
1 43 1 1 3 CYS O O -0.790 -3.508 -0.990 1.00 . A A . 3 CYS O 1 1
1 44 1 1 3 CYS SG S 1.873 -0.246 0.561 1.00 . A A . 3 CYS SG 1 1
1 45 1 1 4 ARG C C -1.804 -0.336 -1.203 1.00 . A A . 4 ARG C 1 1
1 46 1 1 4 ARG CA C -2.020 -1.191 0.092 1.00 . A A . 4 ARG CA 1 1
1 47 1 1 4 ARG CB C -2.600 -0.347 1.269 1.00 . A A . 4 ARG CB 1 1
1 48 1 1 4 ARG CD C -3.859 -0.418 3.560 1.00 . A A . 4 ARG CD 1 1
1 49 1 1 4 ARG CG C -3.612 -1.077 2.185 1.00 . A A . 4 ARG CG 1 1
1 50 1 1 4 ARG CZ C -4.476 1.800 4.556 1.00 . A A . 4 ARG CZ 1 1
1 51 1 1 4 ARG H H -0.119 -1.379 1.183 1.00 . A A . 4 ARG H 1 1
1 52 1 1 4 ARG HA H -2.760 -1.974 -0.167 1.00 . A A . 4 ARG HA 1 1
1 53 1 1 4 ARG HB2 H -1.779 0.086 1.876 1.00 . A A . 4 ARG HB2 1 1
1 54 1 1 4 ARG HB3 H -3.125 0.544 0.870 1.00 . A A . 4 ARG HB3 1 1
1 55 1 1 4 ARG HD2 H -4.633 -1.000 4.098 1.00 . A A . 4 ARG HD2 1 1
1 56 1 1 4 ARG HD3 H -2.940 -0.507 4.169 1.00 . A A . 4 ARG HD3 1 1
1 57 1 1 4 ARG HE H -4.315 1.503 2.588 1.00 . A A . 4 ARG HE 1 1
1 58 1 1 4 ARG HG2 H -4.573 -1.186 1.646 1.00 . A A . 4 ARG HG2 1 1
1 59 1 1 4 ARG HG3 H -3.266 -2.112 2.363 1.00 . A A . 4 ARG HG3 1 1
1 60 1 1 4 ARG HH11 H -4.836 3.664 5.182 1.00 . A A . 4 ARG HH11 1 1
1 61 1 1 4 ARG HH12 H -4.684 3.401 3.375 1.00 . A A . 4 ARG HH12 1 1
1 62 1 1 4 ARG HH21 H -4.637 2.055 6.547 1.00 . A A . 4 ARG HH21 1 1
1 63 1 1 4 ARG HH22 H -4.303 0.360 5.936 1.00 . A A . 4 ARG HH22 1 1
1 64 1 1 4 ARG N N -0.752 -1.854 0.531 1.00 . A A . 4 ARG N 1 1
1 65 1 1 4 ARG NE N -4.275 1.010 3.487 1.00 . A A . 4 ARG NE 1 1
1 66 1 1 4 ARG NH1 N -4.697 3.081 4.349 1.00 . A A . 4 ARG NH1 1 1
1 67 1 1 4 ARG NH2 N -4.468 1.364 5.809 1.00 . A A . 4 ARG NH2 1 1
1 68 1 1 4 ARG O O -2.402 -0.629 -2.240 1.00 . A A . 4 ARG O 1 1
1 69 1 1 5 PHE C C 0.725 2.348 -1.938 1.00 . A A . 5 PHE C 1 1
1 70 1 1 5 PHE CA C -0.606 1.600 -2.262 1.00 . A A . 5 PHE CA 1 1
1 71 1 1 5 PHE CB C -1.768 2.516 -2.775 1.00 . A A . 5 PHE CB 1 1
1 72 1 1 5 PHE CD1 C -3.760 2.715 -1.194 1.00 . A A . 5 PHE CD1 1 1
1 73 1 1 5 PHE CD2 C -2.238 4.584 -1.335 1.00 . A A . 5 PHE CD2 1 1
1 74 1 1 5 PHE CE1 C -4.509 3.396 -0.239 1.00 . A A . 5 PHE CE1 1 1
1 75 1 1 5 PHE CE2 C -2.987 5.262 -0.377 1.00 . A A . 5 PHE CE2 1 1
1 76 1 1 5 PHE CG C -2.610 3.297 -1.740 1.00 . A A . 5 PHE CG 1 1
1 77 1 1 5 PHE CZ C -4.120 4.669 0.171 1.00 . A A . 5 PHE CZ 1 1
1 78 1 1 5 PHE H H -0.515 0.819 -0.203 1.00 . A A . 5 PHE H 1 1
1 79 1 1 5 PHE HA H -0.358 0.940 -3.118 1.00 . A A . 5 PHE HA 1 1
1 80 1 1 5 PHE HB2 H -1.365 3.218 -3.530 1.00 . A A . 5 PHE HB2 1 1
1 81 1 1 5 PHE HB3 H -2.453 1.884 -3.373 1.00 . A A . 5 PHE HB3 1 1
1 82 1 1 5 PHE HD1 H -4.073 1.727 -1.502 1.00 . A A . 5 PHE HD1 1 1
1 83 1 1 5 PHE HD2 H -1.360 5.057 -1.752 1.00 . A A . 5 PHE HD2 1 1
1 84 1 1 5 PHE HE1 H -5.394 2.938 0.179 1.00 . A A . 5 PHE HE1 1 1
1 85 1 1 5 PHE HE2 H -2.688 6.252 -0.060 1.00 . A A . 5 PHE HE2 1 1
1 86 1 1 5 PHE HZ H -4.703 5.197 0.911 1.00 . A A . 5 PHE HZ 1 1
1 87 1 1 5 PHE N N -0.954 0.705 -1.123 1.00 . A A . 5 PHE N 1 1
1 88 1 1 5 PHE O O 1.713 2.158 -2.651 1.00 . A A . 5 PHE O 1 1
1 89 1 1 6 PHE C C 2.477 3.181 0.914 1.00 . A A . 6 PHE C 1 1
1 90 1 1 6 PHE CA C 1.973 3.870 -0.391 1.00 . A A . 6 PHE CA 1 1
1 91 1 1 6 PHE CB C 1.604 5.371 -0.204 1.00 . A A . 6 PHE CB 1 1
1 92 1 1 6 PHE CD1 C 3.765 6.680 -0.587 1.00 . A A . 6 PHE CD1 1 1
1 93 1 1 6 PHE CD2 C 2.775 6.714 1.617 1.00 . A A . 6 PHE CD2 1 1
1 94 1 1 6 PHE CE1 C 4.801 7.493 -0.132 1.00 . A A . 6 PHE CE1 1 1
1 95 1 1 6 PHE CE2 C 3.810 7.528 2.069 1.00 . A A . 6 PHE CE2 1 1
1 96 1 1 6 PHE CG C 2.744 6.283 0.285 1.00 . A A . 6 PHE CG 1 1
1 97 1 1 6 PHE CZ C 4.822 7.917 1.195 1.00 . A A . 6 PHE CZ 1 1
1 98 1 1 6 PHE H H -0.137 3.240 -0.362 1.00 . A A . 6 PHE H 1 1
1 99 1 1 6 PHE HA H 2.764 3.835 -1.169 1.00 . A A . 6 PHE HA 1 1
1 100 1 1 6 PHE HB2 H 1.228 5.775 -1.165 1.00 . A A . 6 PHE HB2 1 1
1 101 1 1 6 PHE HB3 H 0.734 5.460 0.478 1.00 . A A . 6 PHE HB3 1 1
1 102 1 1 6 PHE HD1 H 3.762 6.355 -1.618 1.00 . A A . 6 PHE HD1 1 1
1 103 1 1 6 PHE HD2 H 1.999 6.415 2.308 1.00 . A A . 6 PHE HD2 1 1
1 104 1 1 6 PHE HE1 H 5.587 7.795 -0.807 1.00 . A A . 6 PHE HE1 1 1
1 105 1 1 6 PHE HE2 H 3.828 7.858 3.098 1.00 . A A . 6 PHE HE2 1 1
1 106 1 1 6 PHE HZ H 5.624 8.550 1.547 1.00 . A A . 6 PHE HZ 1 1
1 107 1 1 6 PHE N N 0.756 3.164 -0.863 1.00 . A A . 6 PHE N 1 1
1 108 1 1 6 PHE O O 1.807 3.226 1.951 1.00 . A A . 6 PHE O 1 1
1 109 1 1 7 CYS C C 5.743 2.786 2.121 1.00 . A A . 7 CYS C 1 1
1 110 1 1 7 CYS CA C 4.395 2.050 2.031 1.00 . A A . 7 CYS CA 1 1
1 111 1 1 7 CYS CB C 4.566 0.519 1.945 1.00 . A A . 7 CYS CB 1 1
1 112 1 1 7 CYS H H 4.124 2.611 -0.079 1.00 . A A . 7 CYS H 1 1
1 113 1 1 7 CYS HA H 3.847 2.270 2.968 1.00 . A A . 7 CYS HA 1 1
1 114 1 1 7 CYS HB2 H 4.999 0.203 0.977 1.00 . A A . 7 CYS HB2 1 1
1 115 1 1 7 CYS HB3 H 5.268 0.166 2.724 1.00 . A A . 7 CYS HB3 1 1
1 116 1 1 7 CYS N N 3.679 2.580 0.846 1.00 . A A . 7 CYS N 1 1
1 117 1 1 7 CYS O O 6.802 2.505 1.324 1.00 . A A . 7 CYS O 1 1
1 118 1 1 7 CYS OXT O 5.763 3.762 3.096 1.00 . A A . 7 CYS OXT 1 1
1 119 1 1 7 CYS SG S 2.993 -0.324 2.214 1.00 . A A . 7 CYS SG 1 1
2 120 1 1 1 ARG C C 1.888 -7.690 -0.838 1.00 . A A . 1 ARG C 1 1
2 121 1 1 1 ARG CA C 0.796 -8.800 -0.669 1.00 . A A . 1 ARG CA 1 1
2 122 1 1 1 ARG CB C -0.250 -8.385 0.414 1.00 . A A . 1 ARG CB 1 1
2 123 1 1 1 ARG CD C -2.264 -6.955 1.220 1.00 . A A . 1 ARG CD 1 1
2 124 1 1 1 ARG CG C -1.158 -7.156 0.152 1.00 . A A . 1 ARG CG 1 1
2 125 1 1 1 ARG CZ C -4.255 -8.237 2.042 1.00 . A A . 1 ARG CZ 1 1
2 126 1 1 1 ARG H2 H 2.188 -10.388 -0.812 1.00 . A A . 1 ARG H2 1 1
2 127 1 1 1 ARG HA H 0.249 -8.948 -1.632 1.00 . A A . 1 ARG HA 1 1
2 128 1 1 1 ARG HB2 H -0.879 -9.285 0.614 1.00 . A A . 1 ARG HB2 1 1
2 129 1 1 1 ARG HB3 H 0.310 -8.226 1.356 1.00 . A A . 1 ARG HB3 1 1
2 130 1 1 1 ARG HD2 H -1.766 -6.860 2.223 1.00 . A A . 1 ARG HD2 1 1
2 131 1 1 1 ARG HD3 H -2.763 -5.985 1.059 1.00 . A A . 1 ARG HD3 1 1
2 132 1 1 1 ARG HE H -3.244 -8.778 0.454 1.00 . A A . 1 ARG HE 1 1
2 133 1 1 1 ARG HG2 H -0.539 -6.228 0.109 1.00 . A A . 1 ARG HG2 1 1
2 134 1 1 1 ARG HG3 H -1.625 -7.238 -0.864 1.00 . A A . 1 ARG HG3 1 1
2 135 1 1 1 ARG HH11 H -5.721 -9.472 2.609 1.00 . A A . 1 ARG HH11 1 1
2 136 1 1 1 ARG HH12 H -4.838 -9.921 1.104 1.00 . A A . 1 ARG HH12 1 1
2 137 1 1 1 ARG HH21 H -5.216 -7.660 3.704 1.00 . A A . 1 ARG HH21 1 1
2 138 1 1 1 ARG HH22 H -3.822 -6.638 3.107 1.00 . A A . 1 ARG HH22 1 1
2 139 1 1 1 ARG N N 1.372 -10.112 -0.251 1.00 . A A . 1 ARG N 1 1
2 140 1 1 1 ARG NE N -3.297 -8.028 1.141 1.00 . A A . 1 ARG NE 1 1
2 141 1 1 1 ARG NH1 N -4.998 -9.302 1.913 1.00 . A A . 1 ARG NH1 1 1
2 142 1 1 1 ARG NH2 N -4.457 -7.445 3.066 1.00 . A A . 1 ARG NH2 1 1
2 143 1 1 1 ARG O O 2.549 -7.331 0.141 1.00 . A A . 1 ARG O 1 1
2 144 1 1 2 ALA C C 2.139 -4.620 -1.906 1.00 . A A . 2 ALA C 1 1
2 145 1 1 2 ALA CA C 2.885 -5.939 -2.270 1.00 . A A . 2 ALA CA 1 1
2 146 1 1 2 ALA CB C 3.346 -6.042 -3.738 1.00 . A A . 2 ALA CB 1 1
2 147 1 1 2 ALA H H 1.406 -7.485 -2.782 1.00 . A A . 2 ALA H 1 1
2 148 1 1 2 ALA HA H 3.762 -6.033 -1.620 1.00 . A A . 2 ALA HA 1 1
2 149 1 1 2 ALA HB1 H 2.500 -6.003 -4.464 1.00 . A A . 2 ALA HB1 1 1
2 150 1 1 2 ALA HB2 H 3.987 -5.179 -3.968 1.00 . A A . 2 ALA HB2 1 1
2 151 1 1 2 ALA HB3 H 3.921 -6.945 -3.949 1.00 . A A . 2 ALA HB3 1 1
2 152 1 1 2 ALA N N 2.022 -7.138 -2.046 1.00 . A A . 2 ALA N 1 1
2 153 1 1 2 ALA O O 1.558 -3.984 -2.785 1.00 . A A . 2 ALA O 1 1
2 154 1 1 3 CYS C C -0.025 -2.812 -0.327 1.00 . A A . 3 CYS C 1 1
2 155 1 1 3 CYS CA C 1.544 -2.948 -0.090 1.00 . A A . 3 CYS CA 1 1
2 156 1 1 3 CYS CB C 2.406 -1.759 -0.649 1.00 . A A . 3 CYS CB 1 1
2 157 1 1 3 CYS H H 2.550 -4.927 0.011 1.00 . A A . 3 CYS H 1 1
2 158 1 1 3 CYS HA H 1.675 -2.992 1.017 1.00 . A A . 3 CYS HA 1 1
2 159 1 1 3 CYS HB2 H 3.501 -1.985 -0.597 1.00 . A A . 3 CYS HB2 1 1
2 160 1 1 3 CYS HB3 H 2.177 -1.623 -1.734 1.00 . A A . 3 CYS HB3 1 1
2 161 1 1 3 CYS N N 2.179 -4.213 -0.614 1.00 . A A . 3 CYS N 1 1
2 162 1 1 3 CYS O O -0.648 -3.657 -0.938 1.00 . A A . 3 CYS O 1 1
2 163 1 1 3 CYS SG S 2.120 -0.203 0.209 1.00 . A A . 3 CYS SG 1 1
2 164 1 1 4 ARG C C -1.893 -0.279 -1.263 1.00 . A A . 4 ARG C 1 1
2 165 1 1 4 ARG CA C -2.033 -1.349 -0.136 1.00 . A A . 4 ARG CA 1 1
2 166 1 1 4 ARG CB C -2.971 -0.896 1.013 1.00 . A A . 4 ARG CB 1 1
2 167 1 1 4 ARG CD C -4.540 -1.536 2.980 1.00 . A A . 4 ARG CD 1 1
2 168 1 1 4 ARG CG C -3.482 -2.034 1.942 1.00 . A A . 4 ARG CG 1 1
2 169 1 1 4 ARG CZ C -6.508 -0.077 2.317 1.00 . A A . 4 ARG CZ 1 1
2 170 1 1 4 ARG H H -0.059 -1.199 0.862 1.00 . A A . 4 ARG H 1 1
2 171 1 1 4 ARG HA H -2.545 -2.200 -0.620 1.00 . A A . 4 ARG HA 1 1
2 172 1 1 4 ARG HB2 H -2.477 -0.068 1.591 1.00 . A A . 4 ARG HB2 1 1
2 173 1 1 4 ARG HB3 H -3.879 -0.425 0.519 1.00 . A A . 4 ARG HB3 1 1
2 174 1 1 4 ARG HD2 H -4.652 -2.333 3.757 1.00 . A A . 4 ARG HD2 1 1
2 175 1 1 4 ARG HD3 H -4.113 -0.678 3.548 1.00 . A A . 4 ARG HD3 1 1
2 176 1 1 4 ARG HE H -6.312 -1.968 1.766 1.00 . A A . 4 ARG HE 1 1
2 177 1 1 4 ARG HG2 H -3.926 -2.845 1.315 1.00 . A A . 4 ARG HG2 1 1
2 178 1 1 4 ARG HG3 H -2.627 -2.506 2.472 1.00 . A A . 4 ARG HG3 1 1
2 179 1 1 4 ARG HH11 H -8.121 0.919 1.652 1.00 . A A . 4 ARG HH11 1 1
2 180 1 1 4 ARG HH12 H -7.913 -0.801 1.135 1.00 . A A . 4 ARG HH12 1 1
2 181 1 1 4 ARG HH21 H -6.687 1.834 2.906 1.00 . A A . 4 ARG HH21 1 1
2 182 1 1 4 ARG HH22 H -5.294 0.886 3.619 1.00 . A A . 4 ARG HH22 1 1
2 183 1 1 4 ARG N N -0.696 -1.811 0.334 1.00 . A A . 4 ARG N 1 1
2 184 1 1 4 ARG NE N -5.868 -1.252 2.345 1.00 . A A . 4 ARG NE 1 1
2 185 1 1 4 ARG NH1 N -7.632 0.044 1.640 1.00 . A A . 4 ARG NH1 1 1
2 186 1 1 4 ARG NH2 N -6.104 1.006 2.975 1.00 . A A . 4 ARG NH2 1 1
2 187 1 1 4 ARG O O -2.454 -0.501 -2.342 1.00 . A A . 4 ARG O 1 1
2 188 1 1 5 PHE C C 0.494 2.535 -1.866 1.00 . A A . 5 PHE C 1 1
2 189 1 1 5 PHE CA C -0.908 1.873 -2.091 1.00 . A A . 5 PHE CA 1 1
2 190 1 1 5 PHE CB C -2.101 2.875 -2.312 1.00 . A A . 5 PHE CB 1 1
2 191 1 1 5 PHE CD1 C -3.111 3.550 -0.012 1.00 . A A . 5 PHE CD1 1 1
2 192 1 1 5 PHE CD2 C -2.043 5.236 -1.372 1.00 . A A . 5 PHE CD2 1 1
2 193 1 1 5 PHE CE1 C -3.349 4.511 0.973 1.00 . A A . 5 PHE CE1 1 1
2 194 1 1 5 PHE CE2 C -2.280 6.197 -0.383 1.00 . A A . 5 PHE CE2 1 1
2 195 1 1 5 PHE CG C -2.437 3.908 -1.183 1.00 . A A . 5 PHE CG 1 1
2 196 1 1 5 PHE CZ C -2.938 5.818 0.782 1.00 . A A . 5 PHE CZ 1 1
2 197 1 1 5 PHE H H -0.721 0.908 -0.135 1.00 . A A . 5 PHE H 1 1
2 198 1 1 5 PHE HA H -0.800 1.302 -3.034 1.00 . A A . 5 PHE HA 1 1
2 199 1 1 5 PHE HB2 H -1.887 3.400 -3.268 1.00 . A A . 5 PHE HB2 1 1
2 200 1 1 5 PHE HB3 H -3.009 2.284 -2.528 1.00 . A A . 5 PHE HB3 1 1
2 201 1 1 5 PHE HD1 H -3.500 2.539 0.105 1.00 . A A . 5 PHE HD1 1 1
2 202 1 1 5 PHE HD2 H -1.554 5.570 -2.291 1.00 . A A . 5 PHE HD2 1 1
2 203 1 1 5 PHE HE1 H -3.887 4.269 1.876 1.00 . A A . 5 PHE HE1 1 1
2 204 1 1 5 PHE HE2 H -1.979 7.222 -0.498 1.00 . A A . 5 PHE HE2 1 1
2 205 1 1 5 PHE HZ H -3.075 6.560 1.566 1.00 . A A . 5 PHE HZ 1 1
2 206 1 1 5 PHE N N -1.220 0.864 -1.025 1.00 . A A . 5 PHE N 1 1
2 207 1 1 5 PHE O O 1.379 2.315 -2.689 1.00 . A A . 5 PHE O 1 1
2 208 1 1 6 PHE C C 2.608 3.320 0.928 1.00 . A A . 6 PHE C 1 1
2 209 1 1 6 PHE CA C 2.023 3.872 -0.426 1.00 . A A . 6 PHE CA 1 1
2 210 1 1 6 PHE CB C 1.859 5.416 -0.416 1.00 . A A . 6 PHE CB 1 1
2 211 1 1 6 PHE CD1 C 3.946 6.432 -1.464 1.00 . A A . 6 PHE CD1 1 1
2 212 1 1 6 PHE CD2 C 3.596 6.678 0.903 1.00 . A A . 6 PHE CD2 1 1
2 213 1 1 6 PHE CE1 C 5.183 7.091 -1.347 1.00 . A A . 6 PHE CE1 1 1
2 214 1 1 6 PHE CE2 C 4.825 7.365 1.012 1.00 . A A . 6 PHE CE2 1 1
2 215 1 1 6 PHE CG C 3.162 6.210 -0.338 1.00 . A A . 6 PHE CG 1 1
2 216 1 1 6 PHE CZ C 5.630 7.513 -0.107 1.00 . A A . 6 PHE CZ 1 1
2 217 1 1 6 PHE H H -0.143 3.432 -0.215 1.00 . A A . 6 PHE H 1 1
2 218 1 1 6 PHE HA H 2.771 3.665 -1.228 1.00 . A A . 6 PHE HA 1 1
2 219 1 1 6 PHE HB2 H 1.324 5.748 -1.316 1.00 . A A . 6 PHE HB2 1 1
2 220 1 1 6 PHE HB3 H 1.168 5.720 0.378 1.00 . A A . 6 PHE HB3 1 1
2 221 1 1 6 PHE HD1 H 3.602 6.122 -2.427 1.00 . A A . 6 PHE HD1 1 1
2 222 1 1 6 PHE HD2 H 3.071 6.466 1.837 1.00 . A A . 6 PHE HD2 1 1
2 223 1 1 6 PHE HE1 H 5.786 7.243 -2.235 1.00 . A A . 6 PHE HE1 1 1
2 224 1 1 6 PHE HE2 H 5.129 7.750 1.967 1.00 . A A . 6 PHE HE2 1 1
2 225 1 1 6 PHE HZ H 6.576 8.064 -0.014 1.00 . A A . 6 PHE HZ 1 1
2 226 1 1 6 PHE N N 0.706 3.289 -0.773 1.00 . A A . 6 PHE N 1 1
2 227 1 1 6 PHE O O 2.042 3.521 2.013 1.00 . A A . 6 PHE O 1 1
2 228 1 1 7 CYS C C 5.814 2.810 2.087 1.00 . A A . 7 CYS C 1 1
2 229 1 1 7 CYS CA C 4.450 2.094 2.036 1.00 . A A . 7 CYS CA 1 1
2 230 1 1 7 CYS CB C 4.548 0.571 1.972 1.00 . A A . 7 CYS CB 1 1
2 231 1 1 7 CYS H H 4.010 2.360 -0.107 1.00 . A A . 7 CYS H 1 1
2 232 1 1 7 CYS HA H 3.945 2.382 2.991 1.00 . A A . 7 CYS HA 1 1
2 233 1 1 7 CYS HB2 H 5.079 0.184 1.094 1.00 . A A . 7 CYS HB2 1 1
2 234 1 1 7 CYS HB3 H 5.124 0.228 2.839 1.00 . A A . 7 CYS HB3 1 1
2 235 1 1 7 CYS N N 3.777 2.658 0.846 1.00 . A A . 7 CYS N 1 1
2 236 1 1 7 CYS O O 5.906 3.924 2.853 1.00 . A A . 7 CYS O 1 1
2 237 1 1 7 CYS OXT O 6.816 2.453 1.492 1.00 . A A . 7 CYS OXT 1 1
2 238 1 1 7 CYS SG S 2.918 -0.168 2.047 1.00 . A A . 7 CYS SG 1 1
3 239 1 1 1 ARG C C 1.823 -7.693 -0.865 1.00 . A A . 1 ARG C 1 1
3 240 1 1 1 ARG CA C 0.763 -8.814 -0.757 1.00 . A A . 1 ARG CA 1 1
3 241 1 1 1 ARG CB C 0.073 -8.937 0.653 1.00 . A A . 1 ARG CB 1 1
3 242 1 1 1 ARG CD C -1.495 -7.899 2.503 1.00 . A A . 1 ARG CD 1 1
3 243 1 1 1 ARG CG C -0.793 -7.726 1.142 1.00 . A A . 1 ARG CG 1 1
3 244 1 1 1 ARG CZ C -3.236 -9.394 3.492 1.00 . A A . 1 ARG CZ 1 1
3 245 1 1 1 ARG H2 H 1.986 -10.098 -1.878 1.00 . A A . 1 ARG H2 1 1
3 246 1 1 1 ARG HA H -0.036 -8.613 -1.492 1.00 . A A . 1 ARG HA 1 1
3 247 1 1 1 ARG HB2 H -0.558 -9.839 0.648 1.00 . A A . 1 ARG HB2 1 1
3 248 1 1 1 ARG HB3 H 0.900 -9.181 1.365 1.00 . A A . 1 ARG HB3 1 1
3 249 1 1 1 ARG HD2 H -0.733 -8.128 3.266 1.00 . A A . 1 ARG HD2 1 1
3 250 1 1 1 ARG HD3 H -1.934 -6.919 2.847 1.00 . A A . 1 ARG HD3 1 1
3 251 1 1 1 ARG HE H -2.647 -9.523 1.619 1.00 . A A . 1 ARG HE 1 1
3 252 1 1 1 ARG HG2 H -0.111 -6.848 1.282 1.00 . A A . 1 ARG HG2 1 1
3 253 1 1 1 ARG HG3 H -1.508 -7.442 0.347 1.00 . A A . 1 ARG HG3 1 1
3 254 1 1 1 ARG HH11 H -4.591 -10.730 4.115 1.00 . A A . 1 ARG HH11 1 1
3 255 1 1 1 ARG HH12 H -4.029 -10.858 2.398 1.00 . A A . 1 ARG HH12 1 1
3 256 1 1 1 ARG HH21 H -3.770 -9.239 5.424 1.00 . A A . 1 ARG HH21 1 1
3 257 1 1 1 ARG HH22 H -2.624 -8.009 4.744 1.00 . A A . 1 ARG HH22 1 1
3 258 1 1 1 ARG N N 1.361 -10.136 -1.067 1.00 . A A . 1 ARG N 1 1
3 259 1 1 1 ARG NE N -2.527 -8.995 2.458 1.00 . A A . 1 ARG NE 1 1
3 260 1 1 1 ARG NH1 N -4.018 -10.425 3.317 1.00 . A A . 1 ARG NH1 1 1
3 261 1 1 1 ARG NH2 N -3.209 -8.839 4.679 1.00 . A A . 1 ARG NH2 1 1
3 262 1 1 1 ARG O O 2.522 -7.390 0.113 1.00 . A A . 1 ARG O 1 1
3 263 1 1 2 ALA C C 2.056 -4.558 -1.567 1.00 . A A . 2 ALA C 1 1
3 264 1 1 2 ALA CA C 2.758 -5.793 -2.144 1.00 . A A . 2 ALA CA 1 1
3 265 1 1 2 ALA CB C 3.125 -5.644 -3.626 1.00 . A A . 2 ALA CB 1 1
3 266 1 1 2 ALA H H 1.347 -7.330 -2.769 1.00 . A A . 2 ALA H 1 1
3 267 1 1 2 ALA HA H 3.721 -5.927 -1.628 1.00 . A A . 2 ALA HA 1 1
3 268 1 1 2 ALA HB1 H 2.249 -5.470 -4.270 1.00 . A A . 2 ALA HB1 1 1
3 269 1 1 2 ALA HB2 H 3.816 -4.791 -3.794 1.00 . A A . 2 ALA HB2 1 1
3 270 1 1 2 ALA HB3 H 3.647 -6.535 -4.041 1.00 . A A . 2 ALA HB3 1 1
3 271 1 1 2 ALA N N 1.960 -7.023 -2.019 1.00 . A A . 2 ALA N 1 1
3 272 1 1 2 ALA O O 1.429 -3.764 -2.296 1.00 . A A . 2 ALA O 1 1
3 273 1 1 3 CYS C C 0.049 -2.955 0.298 1.00 . A A . 3 CYS C 1 1
3 274 1 1 3 CYS CA C 1.606 -3.139 0.429 1.00 . A A . 3 CYS CA 1 1
3 275 1 1 3 CYS CB C 2.553 -1.953 0.116 1.00 . A A . 3 CYS CB 1 1
3 276 1 1 3 CYS H H 2.528 -5.193 0.246 1.00 . A A . 3 CYS H 1 1
3 277 1 1 3 CYS HA H 1.761 -3.333 1.501 1.00 . A A . 3 CYS HA 1 1
3 278 1 1 3 CYS HB2 H 3.611 -2.213 0.330 1.00 . A A . 3 CYS HB2 1 1
3 279 1 1 3 CYS HB3 H 2.506 -1.678 -0.956 1.00 . A A . 3 CYS HB3 1 1
3 280 1 1 3 CYS N N 2.165 -4.355 -0.244 1.00 . A A . 3 CYS N 1 1
3 281 1 1 3 CYS O O -0.726 -3.905 0.376 1.00 . A A . 3 CYS O 1 1
3 282 1 1 3 CYS SG S 2.213 -0.509 1.139 1.00 . A A . 3 CYS SG 1 1
3 283 1 1 4 ARG C C -1.813 -0.264 -1.348 1.00 . A A . 4 ARG C 1 1
3 284 1 1 4 ARG CA C -1.833 -1.381 -0.243 1.00 . A A . 4 ARG CA 1 1
3 285 1 1 4 ARG CB C -2.706 -0.971 0.997 1.00 . A A . 4 ARG CB 1 1
3 286 1 1 4 ARG CD C -3.992 -1.718 3.067 1.00 . A A . 4 ARG CD 1 1
3 287 1 1 4 ARG CG C -3.120 -2.161 1.887 1.00 . A A . 4 ARG CG 1 1
3 288 1 1 4 ARG CZ C -6.252 -0.659 3.368 1.00 . A A . 4 ARG CZ 1 1
3 289 1 1 4 ARG H H 0.328 -1.019 0.199 1.00 . A A . 4 ARG H 1 1
3 290 1 1 4 ARG HA H -2.335 -2.257 -0.711 1.00 . A A . 4 ARG HA 1 1
3 291 1 1 4 ARG HB2 H -2.132 -0.237 1.602 1.00 . A A . 4 ARG HB2 1 1
3 292 1 1 4 ARG HB3 H -3.601 -0.428 0.660 1.00 . A A . 4 ARG HB3 1 1
3 293 1 1 4 ARG HD2 H -4.100 -2.556 3.791 1.00 . A A . 4 ARG HD2 1 1
3 294 1 1 4 ARG HD3 H -3.462 -0.908 3.653 1.00 . A A . 4 ARG HD3 1 1
3 295 1 1 4 ARG HE H -5.648 -1.357 1.622 1.00 . A A . 4 ARG HE 1 1
3 296 1 1 4 ARG HG2 H -3.654 -2.918 1.261 1.00 . A A . 4 ARG HG2 1 1
3 297 1 1 4 ARG HG3 H -2.213 -2.665 2.299 1.00 . A A . 4 ARG HG3 1 1
3 298 1 1 4 ARG HH11 H -8.074 0.144 3.413 1.00 . A A . 4 ARG HH11 1 1
3 299 1 1 4 ARG HH12 H -7.506 -0.665 1.873 1.00 . A A . 4 ARG HH12 1 1
3 300 1 1 4 ARG HH21 H -6.851 0.066 5.110 1.00 . A A . 4 ARG HH21 1 1
3 301 1 1 4 ARG HH22 H -5.162 -0.660 5.013 1.00 . A A . 4 ARG HH22 1 1
3 302 1 1 4 ARG N N -0.426 -1.702 0.145 1.00 . A A . 4 ARG N 1 1
3 303 1 1 4 ARG NE N -5.346 -1.264 2.601 1.00 . A A . 4 ARG NE 1 1
3 304 1 1 4 ARG NH1 N -7.376 -0.322 2.822 1.00 . A A . 4 ARG NH1 1 1
3 305 1 1 4 ARG NH2 N -6.080 -0.398 4.639 1.00 . A A . 4 ARG NH2 1 1
3 306 1 1 4 ARG O O -2.230 -0.551 -2.467 1.00 . A A . 4 ARG O 1 1
3 307 1 1 5 PHE C C 0.335 2.597 -2.049 1.00 . A A . 5 PHE C 1 1
3 308 1 1 5 PHE CA C -1.133 2.046 -2.049 1.00 . A A . 5 PHE CA 1 1
3 309 1 1 5 PHE CB C -2.263 3.136 -1.998 1.00 . A A . 5 PHE CB 1 1
3 310 1 1 5 PHE CD1 C -3.744 2.959 0.085 1.00 . A A . 5 PHE CD1 1 1
3 311 1 1 5 PHE CD2 C -2.200 4.792 -0.075 1.00 . A A . 5 PHE CD2 1 1
3 312 1 1 5 PHE CE1 C -4.200 3.450 1.324 1.00 . A A . 5 PHE CE1 1 1
3 313 1 1 5 PHE CE2 C -2.653 5.286 1.138 1.00 . A A . 5 PHE CE2 1 1
3 314 1 1 5 PHE CG C -2.744 3.624 -0.609 1.00 . A A . 5 PHE CG 1 1
3 315 1 1 5 PHE CZ C -3.655 4.620 1.851 1.00 . A A . 5 PHE CZ 1 1
3 316 1 1 5 PHE H H -1.086 1.038 -0.054 1.00 . A A . 5 PHE H 1 1
3 317 1 1 5 PHE HA H -1.208 1.592 -3.060 1.00 . A A . 5 PHE HA 1 1
3 318 1 1 5 PHE HB2 H -1.985 3.999 -2.648 1.00 . A A . 5 PHE HB2 1 1
3 319 1 1 5 PHE HB3 H -3.122 2.691 -2.560 1.00 . A A . 5 PHE HB3 1 1
3 320 1 1 5 PHE HD1 H -4.160 2.034 -0.313 1.00 . A A . 5 PHE HD1 1 1
3 321 1 1 5 PHE HD2 H -1.403 5.305 -0.573 1.00 . A A . 5 PHE HD2 1 1
3 322 1 1 5 PHE HE1 H -4.970 2.946 1.861 1.00 . A A . 5 PHE HE1 1 1
3 323 1 1 5 PHE HE2 H -2.262 6.191 1.568 1.00 . A A . 5 PHE HE2 1 1
3 324 1 1 5 PHE HZ H -4.071 5.031 2.768 1.00 . A A . 5 PHE HZ 1 1
3 325 1 1 5 PHE N N -1.264 0.935 -1.053 1.00 . A A . 5 PHE N 1 1
3 326 1 1 5 PHE O O 1.016 2.502 -3.083 1.00 . A A . 5 PHE O 1 1
3 327 1 1 6 PHE C C 2.705 3.245 0.691 1.00 . A A . 6 PHE C 1 1
3 328 1 1 6 PHE CA C 2.227 3.581 -0.741 1.00 . A A . 6 PHE CA 1 1
3 329 1 1 6 PHE CB C 2.329 5.086 -1.092 1.00 . A A . 6 PHE CB 1 1
3 330 1 1 6 PHE CD1 C 4.725 5.234 -1.972 1.00 . A A . 6 PHE CD1 1 1
3 331 1 1 6 PHE CD2 C 4.110 6.574 -0.058 1.00 . A A . 6 PHE CD2 1 1
3 332 1 1 6 PHE CE1 C 6.049 5.625 -1.803 1.00 . A A . 6 PHE CE1 1 1
3 333 1 1 6 PHE CE2 C 5.402 7.051 0.040 1.00 . A A . 6 PHE CE2 1 1
3 334 1 1 6 PHE CG C 3.751 5.657 -1.059 1.00 . A A . 6 PHE CG 1 1
3 335 1 1 6 PHE CZ C 6.378 6.565 -0.825 1.00 . A A . 6 PHE CZ 1 1
3 336 1 1 6 PHE H H 0.117 3.262 -0.152 1.00 . A A . 6 PHE H 1 1
3 337 1 1 6 PHE HA H 2.873 3.027 -1.471 1.00 . A A . 6 PHE HA 1 1
3 338 1 1 6 PHE HB2 H 1.925 5.250 -2.094 1.00 . A A . 6 PHE HB2 1 1
3 339 1 1 6 PHE HB3 H 1.674 5.655 -0.414 1.00 . A A . 6 PHE HB3 1 1
3 340 1 1 6 PHE HD1 H 4.470 4.543 -2.756 1.00 . A A . 6 PHE HD1 1 1
3 341 1 1 6 PHE HD2 H 3.398 6.882 0.692 1.00 . A A . 6 PHE HD2 1 1
3 342 1 1 6 PHE HE1 H 6.802 5.317 -2.506 1.00 . A A . 6 PHE HE1 1 1
3 343 1 1 6 PHE HE2 H 5.677 7.716 0.850 1.00 . A A . 6 PHE HE2 1 1
3 344 1 1 6 PHE HZ H 7.413 6.933 -0.759 1.00 . A A . 6 PHE HZ 1 1
3 345 1 1 6 PHE N N 0.810 3.152 -0.899 1.00 . A A . 6 PHE N 1 1
3 346 1 1 6 PHE O O 2.172 3.763 1.674 1.00 . A A . 6 PHE O 1 1
3 347 1 1 7 CYS C C 5.558 3.264 2.209 1.00 . A A . 7 CYS C 1 1
3 348 1 1 7 CYS CA C 4.459 2.197 2.094 1.00 . A A . 7 CYS CA 1 1
3 349 1 1 7 CYS CB C 4.907 0.724 2.157 1.00 . A A . 7 CYS CB 1 1
3 350 1 1 7 CYS H H 3.967 1.856 -0.024 1.00 . A A . 7 CYS H 1 1
3 351 1 1 7 CYS HA H 3.743 2.338 2.949 1.00 . A A . 7 CYS HA 1 1
3 352 1 1 7 CYS HB2 H 5.373 0.384 1.216 1.00 . A A . 7 CYS HB2 1 1
3 353 1 1 7 CYS HB3 H 5.680 0.565 2.926 1.00 . A A . 7 CYS HB3 1 1
3 354 1 1 7 CYS N N 3.755 2.400 0.820 1.00 . A A . 7 CYS N 1 1
3 355 1 1 7 CYS O O 5.193 4.568 2.160 1.00 . A A . 7 CYS O 1 1
3 356 1 1 7 CYS OXT O 6.743 3.000 2.342 1.00 . A A . 7 CYS OXT 1 1
3 357 1 1 7 CYS SG S 3.544 -0.320 2.620 1.00 . A A . 7 CYS SG 1 1
4 358 1 1 1 ARG C C 1.950 -7.577 -0.905 1.00 . A A . 1 ARG C 1 1
4 359 1 1 1 ARG CA C 0.906 -8.725 -0.729 1.00 . A A . 1 ARG CA 1 1
4 360 1 1 1 ARG CB C -0.125 -8.519 0.420 1.00 . A A . 1 ARG CB 1 1
4 361 1 1 1 ARG CD C -1.965 -6.976 1.481 1.00 . A A . 1 ARG CD 1 1
4 362 1 1 1 ARG CG C -1.080 -7.317 0.259 1.00 . A A . 1 ARG CG 1 1
4 363 1 1 1 ARG CZ C -3.704 -8.093 2.902 1.00 . A A . 1 ARG CZ 1 1
4 364 1 1 1 ARG H2 H 2.228 -10.284 -1.214 1.00 . A A . 1 ARG H2 1 1
4 365 1 1 1 ARG HA H 0.351 -8.830 -1.676 1.00 . A A . 1 ARG HA 1 1
4 366 1 1 1 ARG HB2 H -0.724 -9.450 0.497 1.00 . A A . 1 ARG HB2 1 1
4 367 1 1 1 ARG HB3 H 0.395 -8.380 1.397 1.00 . A A . 1 ARG HB3 1 1
4 368 1 1 1 ARG HD2 H -1.335 -6.679 2.326 1.00 . A A . 1 ARG HD2 1 1
4 369 1 1 1 ARG HD3 H -2.613 -6.106 1.243 1.00 . A A . 1 ARG HD3 1 1
4 370 1 1 1 ARG HE H -2.789 -9.046 1.422 1.00 . A A . 1 ARG HE 1 1
4 371 1 1 1 ARG HG2 H -0.487 -6.434 -0.003 1.00 . A A . 1 ARG HG2 1 1
4 372 1 1 1 ARG HG3 H -1.746 -7.446 -0.628 1.00 . A A . 1 ARG HG3 1 1
4 373 1 1 1 ARG HH11 H -5.011 -9.144 3.996 1.00 . A A . 1 ARG HH11 1 1
4 374 1 1 1 ARG HH12 H -4.150 -10.026 2.657 1.00 . A A . 1 ARG HH12 1 1
4 375 1 1 1 ARG HH21 H -4.698 -7.098 4.365 1.00 . A A . 1 ARG HH21 1 1
4 376 1 1 1 ARG HH22 H -3.491 -6.193 3.291 1.00 . A A . 1 ARG HH22 1 1
4 377 1 1 1 ARG N N 1.587 -10.030 -0.451 1.00 . A A . 1 ARG N 1 1
4 378 1 1 1 ARG NE N -2.859 -8.104 1.886 1.00 . A A . 1 ARG NE 1 1
4 379 1 1 1 ARG NH1 N -4.339 -9.206 3.235 1.00 . A A . 1 ARG NH1 1 1
4 380 1 1 1 ARG NH2 N -3.984 -7.025 3.611 1.00 . A A . 1 ARG NH2 1 1
4 381 1 1 1 ARG O O 2.693 -7.255 0.026 1.00 . A A . 1 ARG O 1 1
4 382 1 1 2 ALA C C 2.088 -4.383 -1.749 1.00 . A A . 2 ALA C 1 1
4 383 1 1 2 ALA CA C 2.784 -5.665 -2.279 1.00 . A A . 2 ALA CA 1 1
4 384 1 1 2 ALA CB C 3.157 -5.633 -3.776 1.00 . A A . 2 ALA CB 1 1
4 385 1 1 2 ALA H H 1.354 -7.275 -2.839 1.00 . A A . 2 ALA H 1 1
4 386 1 1 2 ALA HA H 3.781 -5.747 -1.736 1.00 . A A . 2 ALA HA 1 1
4 387 1 1 2 ALA HB1 H 2.293 -5.561 -4.443 1.00 . A A . 2 ALA HB1 1 1
4 388 1 1 2 ALA HB2 H 3.776 -4.739 -3.958 1.00 . A A . 2 ALA HB2 1 1
4 389 1 1 2 ALA HB3 H 3.790 -6.505 -4.085 1.00 . A A . 2 ALA HB3 1 1
4 390 1 1 2 ALA N N 1.958 -6.907 -2.078 1.00 . A A . 2 ALA N 1 1
4 391 1 1 2 ALA O O 1.610 -3.524 -2.521 1.00 . A A . 2 ALA O 1 1
4 392 1 1 3 CYS C C -0.069 -2.879 0.214 1.00 . A A . 3 CYS C 1 1
4 393 1 1 3 CYS CA C 1.484 -3.048 0.326 1.00 . A A . 3 CYS CA 1 1
4 394 1 1 3 CYS CB C 2.394 -1.826 0.010 1.00 . A A . 3 CYS CB 1 1
4 395 1 1 3 CYS H H 2.502 -5.004 0.082 1.00 . A A . 3 CYS H 1 1
4 396 1 1 3 CYS HA H 1.660 -3.257 1.398 1.00 . A A . 3 CYS HA 1 1
4 397 1 1 3 CYS HB2 H 3.453 -2.112 0.095 1.00 . A A . 3 CYS HB2 1 1
4 398 1 1 3 CYS HB3 H 2.237 -1.458 -1.022 1.00 . A A . 3 CYS HB3 1 1
4 399 1 1 3 CYS N N 2.019 -4.233 -0.398 1.00 . A A . 3 CYS N 1 1
4 400 1 1 3 CYS O O -0.856 -3.842 0.317 1.00 . A A . 3 CYS O 1 1
4 401 1 1 3 CYS SG S 2.087 -0.450 1.135 1.00 . A A . 3 CYS SG 1 1
4 402 1 1 4 ARG C C -2.021 -0.220 -1.336 1.00 . A A . 4 ARG C 1 1
4 403 1 1 4 ARG CA C -1.985 -1.351 -0.240 1.00 . A A . 4 ARG CA 1 1
4 404 1 1 4 ARG CB C -2.793 -0.899 1.001 1.00 . A A . 4 ARG CB 1 1
4 405 1 1 4 ARG CD C -3.918 -1.495 3.276 1.00 . A A . 4 ARG CD 1 1
4 406 1 1 4 ARG CG C -3.235 -2.009 1.982 1.00 . A A . 4 ARG CG 1 1
4 407 1 1 4 ARG CZ C -6.056 -0.303 3.974 1.00 . A A . 4 ARG CZ 1 1
4 408 1 1 4 ARG H H 0.188 -0.931 -0.045 1.00 . A A . 4 ARG H 1 1
4 409 1 1 4 ARG HA H -2.490 -2.253 -0.678 1.00 . A A . 4 ARG HA 1 1
4 410 1 1 4 ARG HB2 H -2.254 -0.114 1.537 1.00 . A A . 4 ARG HB2 1 1
4 411 1 1 4 ARG HB3 H -3.729 -0.417 0.662 1.00 . A A . 4 ARG HB3 1 1
4 412 1 1 4 ARG HD2 H -3.921 -2.334 4.024 1.00 . A A . 4 ARG HD2 1 1
4 413 1 1 4 ARG HD3 H -3.281 -0.733 3.749 1.00 . A A . 4 ARG HD3 1 1
4 414 1 1 4 ARG HE H -5.749 -1.036 2.150 1.00 . A A . 4 ARG HE 1 1
4 415 1 1 4 ARG HG2 H -3.888 -2.731 1.436 1.00 . A A . 4 ARG HG2 1 1
4 416 1 1 4 ARG HG3 H -2.326 -2.597 2.285 1.00 . A A . 4 ARG HG3 1 1
4 417 1 1 4 ARG HH11 H -7.818 0.611 4.338 1.00 . A A . 4 ARG HH11 1 1
4 418 1 1 4 ARG HH12 H -7.568 -0.204 2.704 1.00 . A A . 4 ARG HH12 1 1
4 419 1 1 4 ARG HH21 H -6.302 0.556 5.765 1.00 . A A . 4 ARG HH21 1 1
4 420 1 1 4 ARG HH22 H -4.729 -0.367 5.435 1.00 . A A . 4 ARG HH22 1 1
4 421 1 1 4 ARG N N -0.541 -1.649 0.011 1.00 . A A . 4 ARG N 1 1
4 422 1 1 4 ARG NE N -5.296 -0.951 3.057 1.00 . A A . 4 ARG NE 1 1
4 423 1 1 4 ARG NH1 N -7.254 0.094 3.635 1.00 . A A . 4 ARG NH1 1 1
4 424 1 1 4 ARG NH2 N -5.646 -0.021 5.186 1.00 . A A . 4 ARG NH2 1 1
4 425 1 1 4 ARG O O -2.484 -0.464 -2.453 1.00 . A A . 4 ARG O 1 1
4 426 1 1 5 PHE C C 0.393 2.438 -2.020 1.00 . A A . 5 PHE C 1 1
4 427 1 1 5 PHE CA C -1.080 1.943 -2.150 1.00 . A A . 5 PHE CA 1 1
4 428 1 1 5 PHE CB C -2.189 3.018 -2.345 1.00 . A A . 5 PHE CB 1 1
4 429 1 1 5 PHE CD1 C -2.646 4.318 -0.175 1.00 . A A . 5 PHE CD1 1 1
4 430 1 1 5 PHE CD2 C -1.571 5.461 -2.003 1.00 . A A . 5 PHE CD2 1 1
4 431 1 1 5 PHE CE1 C -2.463 5.445 0.635 1.00 . A A . 5 PHE CE1 1 1
4 432 1 1 5 PHE CE2 C -1.436 6.601 -1.224 1.00 . A A . 5 PHE CE2 1 1
4 433 1 1 5 PHE CG C -2.131 4.280 -1.465 1.00 . A A . 5 PHE CG 1 1
4 434 1 1 5 PHE CZ C -1.861 6.586 0.106 1.00 . A A . 5 PHE CZ 1 1
4 435 1 1 5 PHE H H -1.024 0.997 -0.160 1.00 . A A . 5 PHE H 1 1
4 436 1 1 5 PHE HA H -1.081 1.439 -3.140 1.00 . A A . 5 PHE HA 1 1
4 437 1 1 5 PHE HB2 H -2.193 3.327 -3.418 1.00 . A A . 5 PHE HB2 1 1
4 438 1 1 5 PHE HB3 H -3.185 2.548 -2.214 1.00 . A A . 5 PHE HB3 1 1
4 439 1 1 5 PHE HD1 H -3.017 3.401 0.234 1.00 . A A . 5 PHE HD1 1 1
4 440 1 1 5 PHE HD2 H -1.173 5.435 -2.999 1.00 . A A . 5 PHE HD2 1 1
4 441 1 1 5 PHE HE1 H -2.769 5.450 1.658 1.00 . A A . 5 PHE HE1 1 1
4 442 1 1 5 PHE HE2 H -0.993 7.472 -1.660 1.00 . A A . 5 PHE HE2 1 1
4 443 1 1 5 PHE HZ H -1.791 7.486 0.706 1.00 . A A . 5 PHE HZ 1 1
4 444 1 1 5 PHE N N -1.472 0.977 -1.086 1.00 . A A . 5 PHE N 1 1
4 445 1 1 5 PHE O O 1.181 2.256 -2.952 1.00 . A A . 5 PHE O 1 1
4 446 1 1 6 PHE C C 2.759 3.127 0.790 1.00 . A A . 6 PHE C 1 1
4 447 1 1 6 PHE CA C 2.177 3.497 -0.633 1.00 . A A . 6 PHE CA 1 1
4 448 1 1 6 PHE CB C 2.112 5.050 -0.839 1.00 . A A . 6 PHE CB 1 1
4 449 1 1 6 PHE CD1 C 4.376 5.965 -1.652 1.00 . A A . 6 PHE CD1 1 1
4 450 1 1 6 PHE CD2 C 3.597 6.505 0.584 1.00 . A A . 6 PHE CD2 1 1
4 451 1 1 6 PHE CE1 C 5.546 6.675 -1.418 1.00 . A A . 6 PHE CE1 1 1
4 452 1 1 6 PHE CE2 C 4.744 7.247 0.794 1.00 . A A . 6 PHE CE2 1 1
4 453 1 1 6 PHE CG C 3.401 5.837 -0.635 1.00 . A A . 6 PHE CG 1 1
4 454 1 1 6 PHE CZ C 5.743 7.289 -0.181 1.00 . A A . 6 PHE CZ 1 1
4 455 1 1 6 PHE H H 0.004 3.226 -0.259 1.00 . A A . 6 PHE H 1 1
4 456 1 1 6 PHE HA H 2.862 3.071 -1.390 1.00 . A A . 6 PHE HA 1 1
4 457 1 1 6 PHE HB2 H 1.769 5.227 -1.877 1.00 . A A . 6 PHE HB2 1 1
4 458 1 1 6 PHE HB3 H 1.306 5.483 -0.216 1.00 . A A . 6 PHE HB3 1 1
4 459 1 1 6 PHE HD1 H 4.181 5.561 -2.649 1.00 . A A . 6 PHE HD1 1 1
4 460 1 1 6 PHE HD2 H 2.869 6.390 1.380 1.00 . A A . 6 PHE HD2 1 1
4 461 1 1 6 PHE HE1 H 6.257 6.779 -2.227 1.00 . A A . 6 PHE HE1 1 1
4 462 1 1 6 PHE HE2 H 4.920 7.740 1.759 1.00 . A A . 6 PHE HE2 1 1
4 463 1 1 6 PHE HZ H 6.691 7.803 0.007 1.00 . A A . 6 PHE HZ 1 1
4 464 1 1 6 PHE N N 0.795 2.979 -0.864 1.00 . A A . 6 PHE N 1 1
4 465 1 1 6 PHE O O 2.242 3.561 1.820 1.00 . A A . 6 PHE O 1 1
4 466 1 1 7 CYS C C 5.786 2.954 2.263 1.00 . A A . 7 CYS C 1 1
4 467 1 1 7 CYS CA C 4.560 2.026 2.114 1.00 . A A . 7 CYS CA 1 1
4 468 1 1 7 CYS CB C 4.899 0.513 2.126 1.00 . A A . 7 CYS CB 1 1
4 469 1 1 7 CYS H H 4.061 1.880 -0.054 1.00 . A A . 7 CYS H 1 1
4 470 1 1 7 CYS HA H 3.910 2.216 3.005 1.00 . A A . 7 CYS HA 1 1
4 471 1 1 7 CYS HB2 H 5.368 0.122 1.193 1.00 . A A . 7 CYS HB2 1 1
4 472 1 1 7 CYS HB3 H 5.666 0.334 2.925 1.00 . A A . 7 CYS HB3 1 1
4 473 1 1 7 CYS N N 3.844 2.330 0.840 1.00 . A A . 7 CYS N 1 1
4 474 1 1 7 CYS O O 5.580 4.291 2.192 1.00 . A A . 7 CYS O 1 1
4 475 1 1 7 CYS OXT O 6.930 2.561 2.441 1.00 . A A . 7 CYS OXT 1 1
4 476 1 1 7 CYS SG S 3.465 -0.509 2.575 1.00 . A A . 7 CYS SG 1 1
5 477 1 1 1 ARG C C 1.789 -7.778 -0.801 1.00 . A A . 1 ARG C 1 1
5 478 1 1 1 ARG CA C 0.647 -8.843 -0.857 1.00 . A A . 1 ARG CA 1 1
5 479 1 1 1 ARG CB C -0.320 -8.817 0.363 1.00 . A A . 1 ARG CB 1 1
5 480 1 1 1 ARG CD C -2.070 -7.407 1.646 1.00 . A A . 1 ARG CD 1 1
5 481 1 1 1 ARG CG C -1.196 -7.544 0.388 1.00 . A A . 1 ARG CG 1 1
5 482 1 1 1 ARG CZ C -4.130 -8.567 2.564 1.00 . A A . 1 ARG CZ 1 1
5 483 1 1 1 ARG H2 H 1.797 -10.280 -1.765 1.00 . A A . 1 ARG H2 1 1
5 484 1 1 1 ARG HA H 0.076 -8.646 -1.776 1.00 . A A . 1 ARG HA 1 1
5 485 1 1 1 ARG HB2 H -0.965 -9.679 0.386 1.00 . A A . 1 ARG HB2 1 1
5 486 1 1 1 ARG HB3 H 0.270 -8.904 1.301 1.00 . A A . 1 ARG HB3 1 1
5 487 1 1 1 ARG HD2 H -1.429 -7.507 2.561 1.00 . A A . 1 ARG HD2 1 1
5 488 1 1 1 ARG HD3 H -2.519 -6.359 1.610 1.00 . A A . 1 ARG HD3 1 1
5 489 1 1 1 ARG HE H -3.296 -9.052 0.843 1.00 . A A . 1 ARG HE 1 1
5 490 1 1 1 ARG HG2 H -0.534 -6.630 0.313 1.00 . A A . 1 ARG HG2 1 1
5 491 1 1 1 ARG HG3 H -1.833 -7.490 -0.511 1.00 . A A . 1 ARG HG3 1 1
5 492 1 1 1 ARG HH11 H -5.742 -9.560 3.096 1.00 . A A . 1 ARG HH11 1 1
5 493 1 1 1 ARG HH12 H -4.966 -10.047 1.533 1.00 . A A . 1 ARG HH12 1 1
5 494 1 1 1 ARG HH21 H -4.986 -8.017 4.283 1.00 . A A . 1 ARG HH21 1 1
5 495 1 1 1 ARG HH22 H -3.503 -7.093 3.734 1.00 . A A . 1 ARG HH22 1 1
5 496 1 1 1 ARG N N 1.204 -10.199 -0.935 1.00 . A A . 1 ARG N 1 1
5 497 1 1 1 ARG NE N -3.174 -8.406 1.630 1.00 . A A . 1 ARG NE 1 1
5 498 1 1 1 ARG NH1 N -5.037 -9.478 2.367 1.00 . A A . 1 ARG NH1 1 1
5 499 1 1 1 ARG NH2 N -4.225 -7.813 3.625 1.00 . A A . 1 ARG NH2 1 1
5 500 1 1 1 ARG O O 2.413 -7.543 0.257 1.00 . A A . 1 ARG O 1 1
5 501 1 1 2 ALA C C 2.345 -4.552 -1.646 1.00 . A A . 2 ALA C 1 1
5 502 1 1 2 ALA CA C 3.024 -5.951 -1.962 1.00 . A A . 2 ALA CA 1 1
5 503 1 1 2 ALA CB C 3.686 -5.980 -3.365 1.00 . A A . 2 ALA CB 1 1
5 504 1 1 2 ALA H H 1.513 -7.288 -2.743 1.00 . A A . 2 ALA H 1 1
5 505 1 1 2 ALA HA H 3.867 -6.141 -1.225 1.00 . A A . 2 ALA HA 1 1
5 506 1 1 2 ALA HB1 H 2.987 -5.761 -4.205 1.00 . A A . 2 ALA HB1 1 1
5 507 1 1 2 ALA HB2 H 4.476 -5.207 -3.408 1.00 . A A . 2 ALA HB2 1 1
5 508 1 1 2 ALA HB3 H 4.167 -6.947 -3.584 1.00 . A A . 2 ALA HB3 1 1
5 509 1 1 2 ALA N N 2.037 -7.068 -1.908 1.00 . A A . 2 ALA N 1 1
5 510 1 1 2 ALA O O 1.889 -3.860 -2.555 1.00 . A A . 2 ALA O 1 1
5 511 1 1 3 CYS C C 0.011 -2.878 -0.035 1.00 . A A . 3 CYS C 1 1
5 512 1 1 3 CYS CA C 1.574 -2.936 0.139 1.00 . A A . 3 CYS CA 1 1
5 513 1 1 3 CYS CB C 2.345 -1.682 -0.420 1.00 . A A . 3 CYS CB 1 1
5 514 1 1 3 CYS H H 2.553 -4.918 0.294 1.00 . A A . 3 CYS H 1 1
5 515 1 1 3 CYS HA H 1.749 -2.930 1.242 1.00 . A A . 3 CYS HA 1 1
5 516 1 1 3 CYS HB2 H 3.433 -1.854 -0.430 1.00 . A A . 3 CYS HB2 1 1
5 517 1 1 3 CYS HB3 H 2.078 -1.531 -1.470 1.00 . A A . 3 CYS HB3 1 1
5 518 1 1 3 CYS N N 2.242 -4.189 -0.346 1.00 . A A . 3 CYS N 1 1
5 519 1 1 3 CYS O O -0.676 -3.865 -0.382 1.00 . A A . 3 CYS O 1 1
5 520 1 1 3 CYS SG S 2.035 -0.205 0.587 1.00 . A A . 3 CYS SG 1 1
5 521 1 1 4 ARG C C -1.862 -0.297 -1.289 1.00 . A A . 4 ARG C 1 1
5 522 1 1 4 ARG CA C -1.919 -1.321 -0.104 1.00 . A A . 4 ARG CA 1 1
5 523 1 1 4 ARG CB C -2.703 -0.776 1.114 1.00 . A A . 4 ARG CB 1 1
5 524 1 1 4 ARG CD C -3.754 -1.218 3.467 1.00 . A A . 4 ARG CD 1 1
5 525 1 1 4 ARG CG C -3.146 -1.813 2.178 1.00 . A A . 4 ARG CG 1 1
5 526 1 1 4 ARG CZ C -5.768 0.044 4.148 1.00 . A A . 4 ARG CZ 1 1
5 527 1 1 4 ARG H H 0.182 -1.061 0.617 1.00 . A A . 4 ARG H 1 1
5 528 1 1 4 ARG HA H -2.481 -2.189 -0.488 1.00 . A A . 4 ARG HA 1 1
5 529 1 1 4 ARG HB2 H -2.110 0.011 1.593 1.00 . A A . 4 ARG HB2 1 1
5 530 1 1 4 ARG HB3 H -3.618 -0.271 0.755 1.00 . A A . 4 ARG HB3 1 1
5 531 1 1 4 ARG HD2 H -3.821 -2.072 4.198 1.00 . A A . 4 ARG HD2 1 1
5 532 1 1 4 ARG HD3 H -3.015 -0.487 3.901 1.00 . A A . 4 ARG HD3 1 1
5 533 1 1 4 ARG HE H -5.481 -0.600 2.274 1.00 . A A . 4 ARG HE 1 1
5 534 1 1 4 ARG HG2 H -3.902 -2.447 1.687 1.00 . A A . 4 ARG HG2 1 1
5 535 1 1 4 ARG HG3 H -2.286 -2.486 2.427 1.00 . A A . 4 ARG HG3 1 1
5 536 1 1 4 ARG HH11 H -7.509 1.027 4.504 1.00 . A A . 4 ARG HH11 1 1
5 537 1 1 4 ARG HH12 H -7.204 0.396 2.819 1.00 . A A . 4 ARG HH12 1 1
5 538 1 1 4 ARG HH21 H -5.996 0.658 6.042 1.00 . A A . 4 ARG HH21 1 1
5 539 1 1 4 ARG HH22 H -4.500 -0.282 5.593 1.00 . A A . 4 ARG HH22 1 1
5 540 1 1 4 ARG N N -0.555 -1.722 0.321 1.00 . A A . 4 ARG N 1 1
5 541 1 1 4 ARG NE N -5.075 -0.597 3.219 1.00 . A A . 4 ARG NE 1 1
5 542 1 1 4 ARG NH1 N -6.913 0.576 3.783 1.00 . A A . 4 ARG NH1 1 1
5 543 1 1 4 ARG NH2 N -5.371 0.191 5.384 1.00 . A A . 4 ARG NH2 1 1
5 544 1 1 4 ARG O O -2.405 -0.562 -2.363 1.00 . A A . 4 ARG O 1 1
5 545 1 1 5 PHE C C 0.405 2.547 -1.959 1.00 . A A . 5 PHE C 1 1
5 546 1 1 5 PHE CA C -1.058 1.956 -2.115 1.00 . A A . 5 PHE CA 1 1
5 547 1 1 5 PHE CB C -2.264 2.976 -2.125 1.00 . A A . 5 PHE CB 1 1
5 548 1 1 5 PHE CD1 C -3.521 2.987 0.123 1.00 . A A . 5 PHE CD1 1 1
5 549 1 1 5 PHE CD2 C -2.257 4.954 -0.530 1.00 . A A . 5 PHE CD2 1 1
5 550 1 1 5 PHE CE1 C -3.820 3.582 1.350 1.00 . A A . 5 PHE CE1 1 1
5 551 1 1 5 PHE CE2 C -2.582 5.556 0.683 1.00 . A A . 5 PHE CE2 1 1
5 552 1 1 5 PHE CG C -2.704 3.668 -0.808 1.00 . A A . 5 PHE CG 1 1
5 553 1 1 5 PHE CZ C -3.371 4.869 1.610 1.00 . A A . 5 PHE CZ 1 1
5 554 1 1 5 PHE H H -0.793 0.987 -0.158 1.00 . A A . 5 PHE H 1 1
5 555 1 1 5 PHE HA H -1.048 1.454 -3.114 1.00 . A A . 5 PHE HA 1 1
5 556 1 1 5 PHE HB2 H -2.117 3.756 -2.902 1.00 . A A . 5 PHE HB2 1 1
5 557 1 1 5 PHE HB3 H -3.148 2.380 -2.437 1.00 . A A . 5 PHE HB3 1 1
5 558 1 1 5 PHE HD1 H -3.820 1.975 -0.077 1.00 . A A . 5 PHE HD1 1 1
5 559 1 1 5 PHE HD2 H -1.632 5.505 -1.222 1.00 . A A . 5 PHE HD2 1 1
5 560 1 1 5 PHE HE1 H -4.339 3.028 2.133 1.00 . A A . 5 PHE HE1 1 1
5 561 1 1 5 PHE HE2 H -2.225 6.546 0.942 1.00 . A A . 5 PHE HE2 1 1
5 562 1 1 5 PHE HZ H -3.554 5.304 2.578 1.00 . A A . 5 PHE HZ 1 1
5 563 1 1 5 PHE N N -1.243 0.891 -1.070 1.00 . A A . 5 PHE N 1 1
5 564 1 1 5 PHE O O 1.270 2.324 -2.819 1.00 . A A . 5 PHE O 1 1
5 565 1 1 6 PHE C C 2.540 3.106 0.765 1.00 . A A . 6 PHE C 1 1
5 566 1 1 6 PHE CA C 1.995 3.819 -0.491 1.00 . A A . 6 PHE CA 1 1
5 567 1 1 6 PHE CB C 1.841 5.364 -0.347 1.00 . A A . 6 PHE CB 1 1
5 568 1 1 6 PHE CD1 C 4.026 6.513 -1.128 1.00 . A A . 6 PHE CD1 1 1
5 569 1 1 6 PHE CD2 C 3.583 6.269 1.223 1.00 . A A . 6 PHE CD2 1 1
5 570 1 1 6 PHE CE1 C 5.243 7.161 -0.838 1.00 . A A . 6 PHE CE1 1 1
5 571 1 1 6 PHE CE2 C 4.803 6.912 1.498 1.00 . A A . 6 PHE CE2 1 1
5 572 1 1 6 PHE CG C 3.177 6.095 -0.102 1.00 . A A . 6 PHE CG 1 1
5 573 1 1 6 PHE CZ C 5.615 7.372 0.477 1.00 . A A . 6 PHE CZ 1 1
5 574 1 1 6 PHE H H -0.185 3.587 -0.356 1.00 . A A . 6 PHE H 1 1
5 575 1 1 6 PHE HA H 2.698 3.699 -1.348 1.00 . A A . 6 PHE HA 1 1
5 576 1 1 6 PHE HB2 H 1.373 5.731 -1.278 1.00 . A A . 6 PHE HB2 1 1
5 577 1 1 6 PHE HB3 H 1.098 5.598 0.443 1.00 . A A . 6 PHE HB3 1 1
5 578 1 1 6 PHE HD1 H 3.690 6.455 -2.162 1.00 . A A . 6 PHE HD1 1 1
5 579 1 1 6 PHE HD2 H 2.972 5.933 2.053 1.00 . A A . 6 PHE HD2 1 1
5 580 1 1 6 PHE HE1 H 5.836 7.545 -1.652 1.00 . A A . 6 PHE HE1 1 1
5 581 1 1 6 PHE HE2 H 5.092 7.055 2.547 1.00 . A A . 6 PHE HE2 1 1
5 582 1 1 6 PHE HZ H 6.529 7.905 0.728 1.00 . A A . 6 PHE HZ 1 1
5 583 1 1 6 PHE N N 0.656 3.278 -0.861 1.00 . A A . 6 PHE N 1 1
5 584 1 1 6 PHE O O 1.862 3.022 1.793 1.00 . A A . 6 PHE O 1 1
5 585 1 1 7 CYS C C 5.782 2.965 2.143 1.00 . A A . 7 CYS C 1 1
5 586 1 1 7 CYS CA C 4.513 2.140 1.927 1.00 . A A . 7 CYS CA 1 1
5 587 1 1 7 CYS CB C 4.805 0.630 1.829 1.00 . A A . 7 CYS CB 1 1
5 588 1 1 7 CYS H H 4.290 2.918 -0.124 1.00 . A A . 7 CYS H 1 1
5 589 1 1 7 CYS HA H 3.917 2.325 2.835 1.00 . A A . 7 CYS HA 1 1
5 590 1 1 7 CYS HB2 H 5.183 0.358 0.817 1.00 . A A . 7 CYS HB2 1 1
5 591 1 1 7 CYS HB3 H 5.541 0.333 2.603 1.00 . A A . 7 CYS HB3 1 1
5 592 1 1 7 CYS N N 3.795 2.634 0.726 1.00 . A A . 7 CYS N 1 1
5 593 1 1 7 CYS O O 5.699 4.084 2.903 1.00 . A A . 7 CYS O 1 1
5 594 1 1 7 CYS OXT O 6.871 2.667 1.664 1.00 . A A . 7 CYS OXT 1 1
5 595 1 1 7 CYS SG S 3.252 -0.247 2.174 1.00 . A A . 7 CYS SG 1 1
6 596 1 1 1 ARG C C 1.798 -7.574 -0.775 1.00 . A A . 1 ARG C 1 1
6 597 1 1 1 ARG CA C 0.719 -8.718 -0.843 1.00 . A A . 1 ARG CA 1 1
6 598 1 1 1 ARG CB C -0.213 -8.770 0.402 1.00 . A A . 1 ARG CB 1 1
6 599 1 1 1 ARG CD C -2.156 -7.555 1.640 1.00 . A A . 1 ARG CD 1 1
6 600 1 1 1 ARG CG C -1.142 -7.518 0.487 1.00 . A A . 1 ARG CG 1 1
6 601 1 1 1 ARG CZ C -4.292 -8.787 2.196 1.00 . A A . 1 ARG CZ 1 1
6 602 1 1 1 ARG H2 H 1.852 -10.071 -1.894 1.00 . A A . 1 ARG H2 1 1
6 603 1 1 1 ARG HA H 0.080 -8.571 -1.731 1.00 . A A . 1 ARG HA 1 1
6 604 1 1 1 ARG HB2 H -0.823 -9.696 0.350 1.00 . A A . 1 ARG HB2 1 1
6 605 1 1 1 ARG HB3 H 0.335 -8.858 1.334 1.00 . A A . 1 ARG HB3 1 1
6 606 1 1 1 ARG HD2 H -1.603 -7.831 2.601 1.00 . A A . 1 ARG HD2 1 1
6 607 1 1 1 ARG HD3 H -2.579 -6.561 1.794 1.00 . A A . 1 ARG HD3 1 1
6 608 1 1 1 ARG HE H -3.211 -9.151 0.586 1.00 . A A . 1 ARG HE 1 1
6 609 1 1 1 ARG HG2 H -0.531 -6.619 0.642 1.00 . A A . 1 ARG HG2 1 1
6 610 1 1 1 ARG HG3 H -1.653 -7.309 -0.502 1.00 . A A . 1 ARG HG3 1 1
6 611 1 1 1 ARG HH11 H -5.918 -9.870 2.468 1.00 . A A . 1 ARG HH11 1 1
6 612 1 1 1 ARG HH12 H -4.912 -10.272 1.002 1.00 . A A . 1 ARG HH12 1 1
6 613 1 1 1 ARG HH21 H -5.359 -8.451 3.836 1.00 . A A . 1 ARG HH21 1 1
6 614 1 1 1 ARG HH22 H -3.848 -7.426 3.569 1.00 . A A . 1 ARG HH22 1 1
6 615 1 1 1 ARG N N 1.369 -10.045 -0.986 1.00 . A A . 1 ARG N 1 1
6 616 1 1 1 ARG NE N -3.238 -8.564 1.390 1.00 . A A . 1 ARG NE 1 1
6 617 1 1 1 ARG NH1 N -5.111 -9.741 1.857 1.00 . A A . 1 ARG NH1 1 1
6 618 1 1 1 ARG NH2 N -4.550 -8.135 3.298 1.00 . A A . 1 ARG NH2 1 1
6 619 1 1 1 ARG O O 2.291 -7.183 0.274 1.00 . A A . 1 ARG O 1 1
6 620 1 1 2 ALA C C 2.318 -4.427 -1.681 1.00 . A A . 2 ALA C 1 1
6 621 1 1 2 ALA CA C 2.991 -5.788 -2.064 1.00 . A A . 2 ALA CA 1 1
6 622 1 1 2 ALA CB C 3.574 -5.882 -3.506 1.00 . A A . 2 ALA CB 1 1
6 623 1 1 2 ALA H H 1.672 -7.378 -2.795 1.00 . A A . 2 ALA H 1 1
6 624 1 1 2 ALA HA H 3.846 -5.896 -1.376 1.00 . A A . 2 ALA HA 1 1
6 625 1 1 2 ALA HB1 H 2.797 -5.804 -4.306 1.00 . A A . 2 ALA HB1 1 1
6 626 1 1 2 ALA HB2 H 4.267 -5.037 -3.723 1.00 . A A . 2 ALA HB2 1 1
6 627 1 1 2 ALA HB3 H 4.114 -6.825 -3.688 1.00 . A A . 2 ALA HB3 1 1
6 628 1 1 2 ALA N N 2.097 -6.959 -1.953 1.00 . A A . 2 ALA N 1 1
6 629 1 1 2 ALA O O 2.006 -3.596 -2.553 1.00 . A A . 2 ALA O 1 1
6 630 1 1 3 CYS C C -0.094 -2.794 -0.065 1.00 . A A . 3 CYS C 1 1
6 631 1 1 3 CYS CA C 1.446 -2.982 0.218 1.00 . A A . 3 CYS CA 1 1
6 632 1 1 3 CYS CB C 2.311 -1.723 -0.076 1.00 . A A . 3 CYS CB 1 1
6 633 1 1 3 CYS H H 2.273 -5.025 0.255 1.00 . A A . 3 CYS H 1 1
6 634 1 1 3 CYS HA H 1.460 -3.148 1.312 1.00 . A A . 3 CYS HA 1 1
6 635 1 1 3 CYS HB2 H 3.403 -1.925 0.026 1.00 . A A . 3 CYS HB2 1 1
6 636 1 1 3 CYS HB3 H 2.154 -1.355 -1.115 1.00 . A A . 3 CYS HB3 1 1
6 637 1 1 3 CYS N N 2.077 -4.200 -0.346 1.00 . A A . 3 CYS N 1 1
6 638 1 1 3 CYS O O -0.728 -3.540 -0.815 1.00 . A A . 3 CYS O 1 1
6 639 1 1 3 CYS SG S 1.942 -0.334 1.062 1.00 . A A . 3 CYS SG 1 1
6 640 1 1 4 ARG C C -1.887 -0.289 -1.203 1.00 . A A . 4 ARG C 1 1
6 641 1 1 4 ARG CA C -2.038 -1.230 0.056 1.00 . A A . 4 ARG CA 1 1
6 642 1 1 4 ARG CB C -2.729 -0.524 1.260 1.00 . A A . 4 ARG CB 1 1
6 643 1 1 4 ARG CD C -3.999 -0.771 3.499 1.00 . A A . 4 ARG CD 1 1
6 644 1 1 4 ARG CG C -3.230 -1.477 2.371 1.00 . A A . 4 ARG CG 1 1
6 645 1 1 4 ARG CZ C -6.127 0.556 3.769 1.00 . A A . 4 ARG CZ 1 1
6 646 1 1 4 ARG H H -0.023 -1.161 0.968 1.00 . A A . 4 ARG H 1 1
6 647 1 1 4 ARG HA H -2.713 -2.036 -0.259 1.00 . A A . 4 ARG HA 1 1
6 648 1 1 4 ARG HB2 H -2.054 0.216 1.722 1.00 . A A . 4 ARG HB2 1 1
6 649 1 1 4 ARG HB3 H -3.585 0.090 0.875 1.00 . A A . 4 ARG HB3 1 1
6 650 1 1 4 ARG HD2 H -4.194 -1.488 4.309 1.00 . A A . 4 ARG HD2 1 1
6 651 1 1 4 ARG HD3 H -3.331 -0.023 3.997 1.00 . A A . 4 ARG HD3 1 1
6 652 1 1 4 ARG HE H -5.566 -0.207 2.062 1.00 . A A . 4 ARG HE 1 1
6 653 1 1 4 ARG HG2 H -3.886 -2.278 1.953 1.00 . A A . 4 ARG HG2 1 1
6 654 1 1 4 ARG HG3 H -2.356 -2.006 2.797 1.00 . A A . 4 ARG HG3 1 1
6 655 1 1 4 ARG HH11 H -7.860 1.561 3.625 1.00 . A A . 4 ARG HH11 1 1
6 656 1 1 4 ARG HH12 H -7.235 0.769 2.156 1.00 . A A . 4 ARG HH12 1 1
6 657 1 1 4 ARG HH21 H -6.708 1.352 5.501 1.00 . A A . 4 ARG HH21 1 1
6 658 1 1 4 ARG HH22 H -5.128 0.390 5.463 1.00 . A A . 4 ARG HH22 1 1
6 659 1 1 4 ARG N N -0.705 -1.773 0.534 1.00 . A A . 4 ARG N 1 1
6 660 1 1 4 ARG NE N -5.258 -0.133 3.034 1.00 . A A . 4 ARG NE 1 1
6 661 1 1 4 ARG NH1 N -7.157 1.026 3.143 1.00 . A A . 4 ARG NH1 1 1
6 662 1 1 4 ARG NH2 N -5.989 0.798 5.044 1.00 . A A . 4 ARG NH2 1 1
6 663 1 1 4 ARG O O -2.442 -0.594 -2.262 1.00 . A A . 4 ARG O 1 1
6 664 1 1 5 PHE C C 0.518 2.399 -2.048 1.00 . A A . 5 PHE C 1 1
6 665 1 1 5 PHE CA C -0.901 1.765 -2.217 1.00 . A A . 5 PHE CA 1 1
6 666 1 1 5 PHE CB C -2.071 2.739 -2.483 1.00 . A A . 5 PHE CB 1 1
6 667 1 1 5 PHE CD1 C -3.441 3.254 -0.398 1.00 . A A . 5 PHE CD1 1 1
6 668 1 1 5 PHE CD2 C -2.063 5.006 -1.332 1.00 . A A . 5 PHE CD2 1 1
6 669 1 1 5 PHE CE1 C -3.903 4.101 0.598 1.00 . A A . 5 PHE CE1 1 1
6 670 1 1 5 PHE CE2 C -2.545 5.867 -0.333 1.00 . A A . 5 PHE CE2 1 1
6 671 1 1 5 PHE CG C -2.529 3.704 -1.370 1.00 . A A . 5 PHE CG 1 1
6 672 1 1 5 PHE CZ C -3.467 5.428 0.606 1.00 . A A . 5 PHE CZ 1 1
6 673 1 1 5 PHE H H -0.825 0.973 -0.155 1.00 . A A . 5 PHE H 1 1
6 674 1 1 5 PHE HA H -0.830 1.188 -3.152 1.00 . A A . 5 PHE HA 1 1
6 675 1 1 5 PHE HB2 H -1.842 3.326 -3.393 1.00 . A A . 5 PHE HB2 1 1
6 676 1 1 5 PHE HB3 H -2.953 2.152 -2.800 1.00 . A A . 5 PHE HB3 1 1
6 677 1 1 5 PHE HD1 H -3.799 2.216 -0.470 1.00 . A A . 5 PHE HD1 1 1
6 678 1 1 5 PHE HD2 H -1.387 5.357 -2.101 1.00 . A A . 5 PHE HD2 1 1
6 679 1 1 5 PHE HE1 H -4.588 3.720 1.370 1.00 . A A . 5 PHE HE1 1 1
6 680 1 1 5 PHE HE2 H -2.198 6.905 -0.300 1.00 . A A . 5 PHE HE2 1 1
6 681 1 1 5 PHE HZ H -3.799 6.076 1.397 1.00 . A A . 5 PHE HZ 1 1
6 682 1 1 5 PHE N N -1.183 0.829 -1.106 1.00 . A A . 5 PHE N 1 1
6 683 1 1 5 PHE O O 1.366 2.251 -2.911 1.00 . A A . 5 PHE O 1 1
6 684 1 1 6 PHE C C 2.545 2.996 0.755 1.00 . A A . 6 PHE C 1 1
6 685 1 1 6 PHE CA C 2.080 3.644 -0.576 1.00 . A A . 6 PHE CA 1 1
6 686 1 1 6 PHE CB C 2.041 5.188 -0.543 1.00 . A A . 6 PHE CB 1 1
6 687 1 1 6 PHE CD1 C 4.243 6.185 -1.421 1.00 . A A . 6 PHE CD1 1 1
6 688 1 1 6 PHE CD2 C 3.825 6.273 0.963 1.00 . A A . 6 PHE CD2 1 1
6 689 1 1 6 PHE CE1 C 5.515 6.716 -1.217 1.00 . A A . 6 PHE CE1 1 1
6 690 1 1 6 PHE CE2 C 5.106 6.794 1.170 1.00 . A A . 6 PHE CE2 1 1
6 691 1 1 6 PHE CG C 3.399 5.915 -0.327 1.00 . A A . 6 PHE CG 1 1
6 692 1 1 6 PHE CZ C 5.942 6.992 0.071 1.00 . A A . 6 PHE CZ 1 1
6 693 1 1 6 PHE H H -0.050 3.189 -0.300 1.00 . A A . 6 PHE H 1 1
6 694 1 1 6 PHE HA H 2.828 3.422 -1.352 1.00 . A A . 6 PHE HA 1 1
6 695 1 1 6 PHE HB2 H 1.644 5.516 -1.513 1.00 . A A . 6 PHE HB2 1 1
6 696 1 1 6 PHE HB3 H 1.269 5.517 0.172 1.00 . A A . 6 PHE HB3 1 1
6 697 1 1 6 PHE HD1 H 3.986 5.848 -2.398 1.00 . A A . 6 PHE HD1 1 1
6 698 1 1 6 PHE HD2 H 3.195 6.041 1.824 1.00 . A A . 6 PHE HD2 1 1
6 699 1 1 6 PHE HE1 H 6.147 6.872 -2.093 1.00 . A A . 6 PHE HE1 1 1
6 700 1 1 6 PHE HE2 H 5.434 6.968 2.179 1.00 . A A . 6 PHE HE2 1 1
6 701 1 1 6 PHE HZ H 6.930 7.396 0.222 1.00 . A A . 6 PHE HZ 1 1
6 702 1 1 6 PHE N N 0.741 3.119 -0.941 1.00 . A A . 6 PHE N 1 1
6 703 1 1 6 PHE O O 1.875 3.017 1.780 1.00 . A A . 6 PHE O 1 1
6 704 1 1 7 CYS C C 5.755 2.993 2.120 1.00 . A A . 7 CYS C 1 1
6 705 1 1 7 CYS CA C 4.491 2.137 2.007 1.00 . A A . 7 CYS CA 1 1
6 706 1 1 7 CYS CB C 4.760 0.600 1.997 1.00 . A A . 7 CYS CB 1 1
6 707 1 1 7 CYS H H 4.283 2.638 -0.134 1.00 . A A . 7 CYS H 1 1
6 708 1 1 7 CYS HA H 3.901 2.350 2.914 1.00 . A A . 7 CYS HA 1 1
6 709 1 1 7 CYS HB2 H 5.175 0.281 1.030 1.00 . A A . 7 CYS HB2 1 1
6 710 1 1 7 CYS HB3 H 5.574 0.390 2.708 1.00 . A A . 7 CYS HB3 1 1
6 711 1 1 7 CYS N N 3.786 2.502 0.755 1.00 . A A . 7 CYS N 1 1
6 712 1 1 7 CYS O O 5.732 4.083 2.925 1.00 . A A . 7 CYS O 1 1
6 713 1 1 7 CYS OXT O 6.792 2.732 1.510 1.00 . A A . 7 CYS OXT 1 1
6 714 1 1 7 CYS SG S 3.307 -0.332 2.503 1.00 . A A . 7 CYS SG 1 1
7 715 1 1 1 ARG C C 1.851 -7.748 -0.705 1.00 . A A . 1 ARG C 1 1
7 716 1 1 1 ARG CA C 0.954 -8.981 -0.550 1.00 . A A . 1 ARG CA 1 1
7 717 1 1 1 ARG CB C -0.087 -8.870 0.591 1.00 . A A . 1 ARG CB 1 1
7 718 1 1 1 ARG CD C -2.263 -7.684 1.371 1.00 . A A . 1 ARG CD 1 1
7 719 1 1 1 ARG CG C -1.153 -7.776 0.307 1.00 . A A . 1 ARG CG 1 1
7 720 1 1 1 ARG CZ C -4.402 -8.911 1.909 1.00 . A A . 1 ARG CZ 1 1
7 721 1 1 1 ARG H2 H 2.424 -10.250 -1.139 1.00 . A A . 1 ARG H2 1 1
7 722 1 1 1 ARG HA H 0.375 -9.132 -1.488 1.00 . A A . 1 ARG HA 1 1
7 723 1 1 1 ARG HB2 H -0.629 -9.830 0.699 1.00 . A A . 1 ARG HB2 1 1
7 724 1 1 1 ARG HB3 H 0.445 -8.741 1.572 1.00 . A A . 1 ARG HB3 1 1
7 725 1 1 1 ARG HD2 H -1.820 -7.640 2.361 1.00 . A A . 1 ARG HD2 1 1
7 726 1 1 1 ARG HD3 H -2.805 -6.712 1.267 1.00 . A A . 1 ARG HD3 1 1
7 727 1 1 1 ARG HE H -2.978 -9.656 0.684 1.00 . A A . 1 ARG HE 1 1
7 728 1 1 1 ARG HG2 H -0.622 -6.767 0.259 1.00 . A A . 1 ARG HG2 1 1
7 729 1 1 1 ARG HG3 H -1.576 -7.875 -0.711 1.00 . A A . 1 ARG HG3 1 1
7 730 1 1 1 ARG HH11 H -5.991 -10.036 2.212 1.00 . A A . 1 ARG HH11 1 1
7 731 1 1 1 ARG HH12 H -4.743 -10.673 1.044 1.00 . A A . 1 ARG HH12 1 1
7 732 1 1 1 ARG HH21 H -5.772 -8.166 3.181 1.00 . A A . 1 ARG HH21 1 1
7 733 1 1 1 ARG HH22 H -4.235 -7.223 2.976 1.00 . A A . 1 ARG HH22 1 1
7 734 1 1 1 ARG N N 1.780 -10.216 -0.343 1.00 . A A . 1 ARG N 1 1
7 735 1 1 1 ARG NE N -3.230 -8.821 1.278 1.00 . A A . 1 ARG NE 1 1
7 736 1 1 1 ARG NH1 N -5.128 -9.970 1.686 1.00 . A A . 1 ARG NH1 1 1
7 737 1 1 1 ARG NH2 N -4.847 -8.023 2.782 1.00 . A A . 1 ARG NH2 1 1
7 738 1 1 1 ARG O O 2.446 -7.272 0.277 1.00 . A A . 1 ARG O 1 1
7 739 1 1 2 ALA C C 2.096 -4.655 -2.014 1.00 . A A . 2 ALA C 1 1
7 740 1 1 2 ALA CA C 2.815 -6.017 -2.224 1.00 . A A . 2 ALA CA 1 1
7 741 1 1 2 ALA CB C 3.337 -6.212 -3.667 1.00 . A A . 2 ALA CB 1 1
7 742 1 1 2 ALA H H 1.315 -7.578 -2.641 1.00 . A A . 2 ALA H 1 1
7 743 1 1 2 ALA HA H 3.673 -6.044 -1.571 1.00 . A A . 2 ALA HA 1 1
7 744 1 1 2 ALA HB1 H 2.518 -6.118 -4.398 1.00 . A A . 2 ALA HB1 1 1
7 745 1 1 2 ALA HB2 H 4.036 -5.400 -3.913 1.00 . A A . 2 ALA HB2 1 1
7 746 1 1 2 ALA HB3 H 3.832 -7.186 -3.851 1.00 . A A . 2 ALA HB3 1 1
7 747 1 1 2 ALA N N 1.934 -7.178 -1.927 1.00 . A A . 2 ALA N 1 1
7 748 1 1 2 ALA O O 1.640 -4.001 -2.937 1.00 . A A . 2 ALA O 1 1
7 749 1 1 3 CYS C C -0.084 -2.670 -0.576 1.00 . A A . 3 CYS C 1 1
7 750 1 1 3 CYS CA C 1.421 -2.950 -0.266 1.00 . A A . 3 CYS CA 1 1
7 751 1 1 3 CYS CB C 2.364 -1.804 -0.758 1.00 . A A . 3 CYS CB 1 1
7 752 1 1 3 CYS H H 2.358 -4.942 -0.061 1.00 . A A . 3 CYS H 1 1
7 753 1 1 3 CYS HA H 1.566 -2.973 0.836 1.00 . A A . 3 CYS HA 1 1
7 754 1 1 3 CYS HB2 H 3.412 -2.051 -0.585 1.00 . A A . 3 CYS HB2 1 1
7 755 1 1 3 CYS HB3 H 2.253 -1.711 -1.853 1.00 . A A . 3 CYS HB3 1 1
7 756 1 1 3 CYS N N 1.970 -4.262 -0.719 1.00 . A A . 3 CYS N 1 1
7 757 1 1 3 CYS O O -0.663 -3.118 -1.576 1.00 . A A . 3 CYS O 1 1
7 758 1 1 3 CYS SG S 2.024 -0.207 -0.002 1.00 . A A . 3 CYS SG 1 1
7 759 1 1 4 ARG C C -1.996 -0.126 -1.136 1.00 . A A . 4 ARG C 1 1
7 760 1 1 4 ARG CA C -2.040 -1.203 -0.004 1.00 . A A . 4 ARG CA 1 1
7 761 1 1 4 ARG CB C -2.656 -0.592 1.307 1.00 . A A . 4 ARG CB 1 1
7 762 1 1 4 ARG CD C -3.827 -0.946 3.602 1.00 . A A . 4 ARG CD 1 1
7 763 1 1 4 ARG CG C -3.268 -1.594 2.326 1.00 . A A . 4 ARG CG 1 1
7 764 1 1 4 ARG CZ C -5.682 0.668 4.130 1.00 . A A . 4 ARG CZ 1 1
7 765 1 1 4 ARG H H -0.107 -1.577 1.079 1.00 . A A . 4 ARG H 1 1
7 766 1 1 4 ARG HA H -2.739 -1.983 -0.394 1.00 . A A . 4 ARG HA 1 1
7 767 1 1 4 ARG HB2 H -1.865 -0.012 1.818 1.00 . A A . 4 ARG HB2 1 1
7 768 1 1 4 ARG HB3 H -3.430 0.189 1.048 1.00 . A A . 4 ARG HB3 1 1
7 769 1 1 4 ARG HD2 H -4.002 -1.726 4.369 1.00 . A A . 4 ARG HD2 1 1
7 770 1 1 4 ARG HD3 H -3.082 -0.244 4.031 1.00 . A A . 4 ARG HD3 1 1
7 771 1 1 4 ARG HE H -5.514 -0.246 2.361 1.00 . A A . 4 ARG HE 1 1
7 772 1 1 4 ARG HG2 H -4.001 -2.260 1.827 1.00 . A A . 4 ARG HG2 1 1
7 773 1 1 4 ARG HG3 H -2.449 -2.273 2.631 1.00 . A A . 4 ARG HG3 1 1
7 774 1 1 4 ARG HH11 H -7.053 2.122 4.344 1.00 . A A . 4 ARG HH11 1 1
7 775 1 1 4 ARG HH12 H -6.955 1.273 2.724 1.00 . A A . 4 ARG HH12 1 1
7 776 1 1 4 ARG HH21 H -5.795 1.488 5.948 1.00 . A A . 4 ARG HH21 1 1
7 777 1 1 4 ARG HH22 H -4.555 0.171 5.686 1.00 . A A . 4 ARG HH22 1 1
7 778 1 1 4 ARG N N -0.722 -1.875 0.304 1.00 . A A . 4 ARG N 1 1
7 779 1 1 4 ARG NE N -5.090 -0.187 3.285 1.00 . A A . 4 ARG NE 1 1
7 780 1 1 4 ARG NH1 N -6.664 1.431 3.703 1.00 . A A . 4 ARG NH1 1 1
7 781 1 1 4 ARG NH2 N -5.330 0.791 5.368 1.00 . A A . 4 ARG NH2 1 1
7 782 1 1 4 ARG O O -2.751 -0.237 -2.113 1.00 . A A . 4 ARG O 1 1
7 783 1 1 5 PHE C C 0.533 2.558 -1.890 1.00 . A A . 5 PHE C 1 1
7 784 1 1 5 PHE CA C -0.880 1.895 -2.085 1.00 . A A . 5 PHE CA 1 1
7 785 1 1 5 PHE CB C -2.029 2.950 -2.311 1.00 . A A . 5 PHE CB 1 1
7 786 1 1 5 PHE CD1 C -2.960 3.778 -0.055 1.00 . A A . 5 PHE CD1 1 1
7 787 1 1 5 PHE CD2 C -1.897 5.392 -1.510 1.00 . A A . 5 PHE CD2 1 1
7 788 1 1 5 PHE CE1 C -3.184 4.766 0.885 1.00 . A A . 5 PHE CE1 1 1
7 789 1 1 5 PHE CE2 C -2.113 6.391 -0.555 1.00 . A A . 5 PHE CE2 1 1
7 790 1 1 5 PHE CG C -2.326 4.074 -1.281 1.00 . A A . 5 PHE CG 1 1
7 791 1 1 5 PHE CZ C -2.736 6.059 0.649 1.00 . A A . 5 PHE CZ 1 1
7 792 1 1 5 PHE H H -0.713 0.924 -0.062 1.00 . A A . 5 PHE H 1 1
7 793 1 1 5 PHE HA H -0.775 1.319 -3.020 1.00 . A A . 5 PHE HA 1 1
7 794 1 1 5 PHE HB2 H -1.886 3.371 -3.324 1.00 . A A . 5 PHE HB2 1 1
7 795 1 1 5 PHE HB3 H -2.972 2.378 -2.432 1.00 . A A . 5 PHE HB3 1 1
7 796 1 1 5 PHE HD1 H -3.288 2.769 0.111 1.00 . A A . 5 PHE HD1 1 1
7 797 1 1 5 PHE HD2 H -1.464 5.630 -2.461 1.00 . A A . 5 PHE HD2 1 1
7 798 1 1 5 PHE HE1 H -3.658 4.514 1.837 1.00 . A A . 5 PHE HE1 1 1
7 799 1 1 5 PHE HE2 H -1.787 7.406 -0.741 1.00 . A A . 5 PHE HE2 1 1
7 800 1 1 5 PHE HZ H -2.847 6.832 1.383 1.00 . A A . 5 PHE HZ 1 1
7 801 1 1 5 PHE N N -1.159 0.941 -0.977 1.00 . A A . 5 PHE N 1 1
7 802 1 1 5 PHE O O 1.432 2.262 -2.681 1.00 . A A . 5 PHE O 1 1
7 803 1 1 6 PHE C C 2.584 3.343 0.883 1.00 . A A . 6 PHE C 1 1
7 804 1 1 6 PHE CA C 2.098 3.955 -0.475 1.00 . A A . 6 PHE CA 1 1
7 805 1 1 6 PHE CB C 1.891 5.513 -0.426 1.00 . A A . 6 PHE CB 1 1
7 806 1 1 6 PHE CD1 C 3.923 6.663 -1.475 1.00 . A A . 6 PHE CD1 1 1
7 807 1 1 6 PHE CD2 C 3.711 6.690 0.935 1.00 . A A . 6 PHE CD2 1 1
7 808 1 1 6 PHE CE1 C 5.115 7.374 -1.369 1.00 . A A . 6 PHE CE1 1 1
7 809 1 1 6 PHE CE2 C 4.940 7.326 1.025 1.00 . A A . 6 PHE CE2 1 1
7 810 1 1 6 PHE CG C 3.215 6.299 -0.316 1.00 . A A . 6 PHE CG 1 1
7 811 1 1 6 PHE CZ C 5.629 7.711 -0.125 1.00 . A A . 6 PHE CZ 1 1
7 812 1 1 6 PHE H H -0.047 3.476 -0.176 1.00 . A A . 6 PHE H 1 1
7 813 1 1 6 PHE HA H 2.819 3.760 -1.281 1.00 . A A . 6 PHE HA 1 1
7 814 1 1 6 PHE HB2 H 1.351 5.870 -1.319 1.00 . A A . 6 PHE HB2 1 1
7 815 1 1 6 PHE HB3 H 1.219 5.791 0.400 1.00 . A A . 6 PHE HB3 1 1
7 816 1 1 6 PHE HD1 H 3.542 6.412 -2.433 1.00 . A A . 6 PHE HD1 1 1
7 817 1 1 6 PHE HD2 H 3.143 6.473 1.836 1.00 . A A . 6 PHE HD2 1 1
7 818 1 1 6 PHE HE1 H 5.699 7.561 -2.264 1.00 . A A . 6 PHE HE1 1 1
7 819 1 1 6 PHE HE2 H 5.310 7.599 1.983 1.00 . A A . 6 PHE HE2 1 1
7 820 1 1 6 PHE HZ H 6.577 8.210 -0.069 1.00 . A A . 6 PHE HZ 1 1
7 821 1 1 6 PHE N N 0.762 3.360 -0.809 1.00 . A A . 6 PHE N 1 1
7 822 1 1 6 PHE O O 1.914 3.491 1.921 1.00 . A A . 6 PHE O 1 1
7 823 1 1 7 CYS C C 5.822 2.691 2.242 1.00 . A A . 7 CYS C 1 1
7 824 1 1 7 CYS CA C 4.412 2.079 2.062 1.00 . A A . 7 CYS CA 1 1
7 825 1 1 7 CYS CB C 4.410 0.538 1.904 1.00 . A A . 7 CYS CB 1 1
7 826 1 1 7 CYS H H 4.243 2.650 -0.061 1.00 . A A . 7 CYS H 1 1
7 827 1 1 7 CYS HA H 3.894 2.385 2.995 1.00 . A A . 7 CYS HA 1 1
7 828 1 1 7 CYS HB2 H 4.923 0.201 0.988 1.00 . A A . 7 CYS HB2 1 1
7 829 1 1 7 CYS HB3 H 4.942 0.063 2.742 1.00 . A A . 7 CYS HB3 1 1
7 830 1 1 7 CYS N N 3.773 2.663 0.849 1.00 . A A . 7 CYS N 1 1
7 831 1 1 7 CYS O O 5.918 4.038 2.349 1.00 . A A . 7 CYS O 1 1
7 832 1 1 7 CYS OXT O 6.862 2.034 2.294 1.00 . A A . 7 CYS OXT 1 1
7 833 1 1 7 CYS SG S 2.723 -0.160 1.862 1.00 . A A . 7 CYS SG 1 1
8 834 1 1 1 ARG C C 1.862 -7.530 -0.890 1.00 . A A . 1 ARG C 1 1
8 835 1 1 1 ARG CA C 0.815 -8.693 -0.776 1.00 . A A . 1 ARG CA 1 1
8 836 1 1 1 ARG CB C -0.220 -8.416 0.354 1.00 . A A . 1 ARG CB 1 1
8 837 1 1 1 ARG CD C -2.153 -7.000 1.272 1.00 . A A . 1 ARG CD 1 1
8 838 1 1 1 ARG CG C -1.095 -7.146 0.179 1.00 . A A . 1 ARG CG 1 1
8 839 1 1 1 ARG CZ C -4.285 -8.151 1.963 1.00 . A A . 1 ARG CZ 1 1
8 840 1 1 1 ARG H2 H 2.122 -10.181 -1.296 1.00 . A A . 1 ARG H2 1 1
8 841 1 1 1 ARG HA H 0.252 -8.844 -1.714 1.00 . A A . 1 ARG HA 1 1
8 842 1 1 1 ARG HB2 H -0.862 -9.335 0.433 1.00 . A A . 1 ARG HB2 1 1
8 843 1 1 1 ARG HB3 H 0.303 -8.355 1.343 1.00 . A A . 1 ARG HB3 1 1
8 844 1 1 1 ARG HD2 H -1.695 -7.011 2.285 1.00 . A A . 1 ARG HD2 1 1
8 845 1 1 1 ARG HD3 H -2.590 -5.962 1.196 1.00 . A A . 1 ARG HD3 1 1
8 846 1 1 1 ARG HE H -3.235 -8.687 0.388 1.00 . A A . 1 ARG HE 1 1
8 847 1 1 1 ARG HG2 H -0.392 -6.295 0.197 1.00 . A A . 1 ARG HG2 1 1
8 848 1 1 1 ARG HG3 H -1.544 -7.104 -0.845 1.00 . A A . 1 ARG HG3 1 1
8 849 1 1 1 ARG HH11 H -5.951 -9.158 2.320 1.00 . A A . 1 ARG HH11 1 1
8 850 1 1 1 ARG HH12 H -4.941 -9.670 0.871 1.00 . A A . 1 ARG HH12 1 1
8 851 1 1 1 ARG HH21 H -5.355 -7.622 3.576 1.00 . A A . 1 ARG HH21 1 1
8 852 1 1 1 ARG HH22 H -3.839 -6.693 3.214 1.00 . A A . 1 ARG HH22 1 1
8 853 1 1 1 ARG N N 1.500 -9.962 -0.507 1.00 . A A . 1 ARG N 1 1
8 854 1 1 1 ARG NE N -3.240 -8.010 1.149 1.00 . A A . 1 ARG NE 1 1
8 855 1 1 1 ARG NH1 N -5.134 -9.093 1.693 1.00 . A A . 1 ARG NH1 1 1
8 856 1 1 1 ARG NH2 N -4.540 -7.401 2.991 1.00 . A A . 1 ARG NH2 1 1
8 857 1 1 1 ARG O O 2.506 -7.140 0.079 1.00 . A A . 1 ARG O 1 1
8 858 1 1 2 ALA C C 2.175 -4.368 -1.846 1.00 . A A . 2 ALA C 1 1
8 859 1 1 2 ALA CA C 2.850 -5.706 -2.266 1.00 . A A . 2 ALA CA 1 1
8 860 1 1 2 ALA CB C 3.238 -5.757 -3.763 1.00 . A A . 2 ALA CB 1 1
8 861 1 1 2 ALA H H 1.327 -7.203 -2.801 1.00 . A A . 2 ALA H 1 1
8 862 1 1 2 ALA HA H 3.780 -5.823 -1.695 1.00 . A A . 2 ALA HA 1 1
8 863 1 1 2 ALA HB1 H 2.368 -5.728 -4.418 1.00 . A A . 2 ALA HB1 1 1
8 864 1 1 2 ALA HB2 H 3.856 -4.896 -4.054 1.00 . A A . 2 ALA HB2 1 1
8 865 1 1 2 ALA HB3 H 3.852 -6.646 -4.022 1.00 . A A . 2 ALA HB3 1 1
8 866 1 1 2 ALA N N 1.948 -6.871 -2.069 1.00 . A A . 2 ALA N 1 1
8 867 1 1 2 ALA O O 1.710 -3.615 -2.699 1.00 . A A . 2 ALA O 1 1
8 868 1 1 3 CYS C C -0.130 -2.775 -0.086 1.00 . A A . 3 CYS C 1 1
8 869 1 1 3 CYS CA C 1.453 -2.889 0.086 1.00 . A A . 3 CYS CA 1 1
8 870 1 1 3 CYS CB C 2.275 -1.650 -0.381 1.00 . A A . 3 CYS CB 1 1
8 871 1 1 3 CYS H H 2.502 -4.858 0.053 1.00 . A A . 3 CYS H 1 1
8 872 1 1 3 CYS HA H 1.592 -2.994 1.173 1.00 . A A . 3 CYS HA 1 1
8 873 1 1 3 CYS HB2 H 3.375 -1.814 -0.362 1.00 . A A . 3 CYS HB2 1 1
8 874 1 1 3 CYS HB3 H 2.069 -1.411 -1.431 1.00 . A A . 3 CYS HB3 1 1
8 875 1 1 3 CYS N N 2.120 -4.098 -0.518 1.00 . A A . 3 CYS N 1 1
8 876 1 1 3 CYS O O -0.754 -3.583 -0.747 1.00 . A A . 3 CYS O 1 1
8 877 1 1 3 CYS SG S 1.939 -0.155 0.586 1.00 . A A . 3 CYS SG 1 1
8 878 1 1 4 ARG C C -1.992 -0.336 -1.174 1.00 . A A . 4 ARG C 1 1
8 879 1 1 4 ARG CA C -2.108 -1.256 0.067 1.00 . A A . 4 ARG CA 1 1
8 880 1 1 4 ARG CB C -2.931 -0.623 1.210 1.00 . A A . 4 ARG CB 1 1
8 881 1 1 4 ARG CD C -3.967 -0.854 3.592 1.00 . A A . 4 ARG CD 1 1
8 882 1 1 4 ARG CG C -3.364 -1.561 2.365 1.00 . A A . 4 ARG CG 1 1
8 883 1 1 4 ARG CZ C -5.971 0.617 4.013 1.00 . A A . 4 ARG CZ 1 1
8 884 1 1 4 ARG H H -0.126 -1.216 1.118 1.00 . A A . 4 ARG H 1 1
8 885 1 1 4 ARG HA H -2.729 -2.121 -0.246 1.00 . A A . 4 ARG HA 1 1
8 886 1 1 4 ARG HB2 H -2.354 0.224 1.619 1.00 . A A . 4 ARG HB2 1 1
8 887 1 1 4 ARG HB3 H -3.817 -0.132 0.774 1.00 . A A . 4 ARG HB3 1 1
8 888 1 1 4 ARG HD2 H -4.034 -1.567 4.449 1.00 . A A . 4 ARG HD2 1 1
8 889 1 1 4 ARG HD3 H -3.291 -0.057 3.907 1.00 . A A . 4 ARG HD3 1 1
8 890 1 1 4 ARG HE H -5.824 -0.620 2.443 1.00 . A A . 4 ARG HE 1 1
8 891 1 1 4 ARG HG2 H -3.992 -2.373 1.981 1.00 . A A . 4 ARG HG2 1 1
8 892 1 1 4 ARG HG3 H -2.483 -2.105 2.761 1.00 . A A . 4 ARG HG3 1 1
8 893 1 1 4 ARG HH11 H -7.726 1.613 4.246 1.00 . A A . 4 ARG HH11 1 1
8 894 1 1 4 ARG HH12 H -7.544 0.512 2.803 1.00 . A A . 4 ARG HH12 1 1
8 895 1 1 4 ARG HH21 H -6.053 1.826 5.597 1.00 . A A . 4 ARG HH21 1 1
8 896 1 1 4 ARG HH22 H -4.543 0.881 5.306 1.00 . A A . 4 ARG HH22 1 1
8 897 1 1 4 ARG N N -0.783 -1.755 0.555 1.00 . A A . 4 ARG N 1 1
8 898 1 1 4 ARG NE N -5.315 -0.287 3.275 1.00 . A A . 4 ARG NE 1 1
8 899 1 1 4 ARG NH1 N -7.201 0.947 3.654 1.00 . A A . 4 ARG NH1 1 1
8 900 1 1 4 ARG NH2 N -5.473 1.170 5.085 1.00 . A A . 4 ARG NH2 1 1
8 901 1 1 4 ARG O O -2.657 -0.614 -2.180 1.00 . A A . 4 ARG O 1 1
8 902 1 1 5 PHE C C 0.676 2.169 -1.954 1.00 . A A . 5 PHE C 1 1
8 903 1 1 5 PHE CA C -0.735 1.583 -2.246 1.00 . A A . 5 PHE CA 1 1
8 904 1 1 5 PHE CB C -1.865 2.600 -2.698 1.00 . A A . 5 PHE CB 1 1
8 905 1 1 5 PHE CD1 C -3.441 3.181 -0.776 1.00 . A A . 5 PHE CD1 1 1
8 906 1 1 5 PHE CD2 C -1.854 4.853 -1.550 1.00 . A A . 5 PHE CD2 1 1
8 907 1 1 5 PHE CE1 C -3.852 4.070 0.231 1.00 . A A . 5 PHE CE1 1 1
8 908 1 1 5 PHE CE2 C -2.264 5.714 -0.552 1.00 . A A . 5 PHE CE2 1 1
8 909 1 1 5 PHE CG C -2.406 3.566 -1.631 1.00 . A A . 5 PHE CG 1 1
8 910 1 1 5 PHE CZ C -3.247 5.323 0.348 1.00 . A A . 5 PHE CZ 1 1
8 911 1 1 5 PHE H H -0.634 0.771 -0.207 1.00 . A A . 5 PHE H 1 1
8 912 1 1 5 PHE HA H -0.579 0.931 -3.145 1.00 . A A . 5 PHE HA 1 1
8 913 1 1 5 PHE HB2 H -1.497 3.216 -3.554 1.00 . A A . 5 PHE HB2 1 1
8 914 1 1 5 PHE HB3 H -2.689 2.023 -3.170 1.00 . A A . 5 PHE HB3 1 1
8 915 1 1 5 PHE HD1 H -3.892 2.224 -0.865 1.00 . A A . 5 PHE HD1 1 1
8 916 1 1 5 PHE HD2 H -1.123 5.166 -2.257 1.00 . A A . 5 PHE HD2 1 1
8 917 1 1 5 PHE HE1 H -4.641 3.813 0.926 1.00 . A A . 5 PHE HE1 1 1
8 918 1 1 5 PHE HE2 H -1.881 6.714 -0.494 1.00 . A A . 5 PHE HE2 1 1
8 919 1 1 5 PHE HZ H -3.551 5.987 1.133 1.00 . A A . 5 PHE HZ 1 1
8 920 1 1 5 PHE N N -1.120 0.708 -1.115 1.00 . A A . 5 PHE N 1 1
8 921 1 1 5 PHE O O 1.633 1.820 -2.670 1.00 . A A . 5 PHE O 1 1
8 922 1 1 6 PHE C C 2.560 3.173 0.817 1.00 . A A . 6 PHE C 1 1
8 923 1 1 6 PHE CA C 2.077 3.693 -0.566 1.00 . A A . 6 PHE CA 1 1
8 924 1 1 6 PHE CB C 1.870 5.231 -0.609 1.00 . A A . 6 PHE CB 1 1
8 925 1 1 6 PHE CD1 C 4.002 6.192 -1.662 1.00 . A A . 6 PHE CD1 1 1
8 926 1 1 6 PHE CD2 C 3.651 6.445 0.712 1.00 . A A . 6 PHE CD2 1 1
8 927 1 1 6 PHE CE1 C 5.236 6.821 -1.548 1.00 . A A . 6 PHE CE1 1 1
8 928 1 1 6 PHE CE2 C 4.911 7.034 0.819 1.00 . A A . 6 PHE CE2 1 1
8 929 1 1 6 PHE CG C 3.189 6.005 -0.532 1.00 . A A . 6 PHE CG 1 1
8 930 1 1 6 PHE CZ C 5.720 7.202 -0.307 1.00 . A A . 6 PHE CZ 1 1
8 931 1 1 6 PHE H H -0.065 3.250 -0.412 1.00 . A A . 6 PHE H 1 1
8 932 1 1 6 PHE HA H 2.831 3.465 -1.339 1.00 . A A . 6 PHE HA 1 1
8 933 1 1 6 PHE HB2 H 1.412 5.479 -1.575 1.00 . A A . 6 PHE HB2 1 1
8 934 1 1 6 PHE HB3 H 1.141 5.537 0.151 1.00 . A A . 6 PHE HB3 1 1
8 935 1 1 6 PHE HD1 H 3.674 5.799 -2.615 1.00 . A A . 6 PHE HD1 1 1
8 936 1 1 6 PHE HD2 H 3.002 6.401 1.569 1.00 . A A . 6 PHE HD2 1 1
8 937 1 1 6 PHE HE1 H 5.867 6.910 -2.419 1.00 . A A . 6 PHE HE1 1 1
8 938 1 1 6 PHE HE2 H 5.245 7.335 1.803 1.00 . A A . 6 PHE HE2 1 1
8 939 1 1 6 PHE HZ H 6.703 7.609 -0.221 1.00 . A A . 6 PHE HZ 1 1
8 940 1 1 6 PHE N N 0.799 3.049 -0.925 1.00 . A A . 6 PHE N 1 1
8 941 1 1 6 PHE O O 1.927 3.449 1.846 1.00 . A A . 6 PHE O 1 1
8 942 1 1 7 CYS C C 5.783 2.810 2.189 1.00 . A A . 7 CYS C 1 1
8 943 1 1 7 CYS CA C 4.429 2.122 2.048 1.00 . A A . 7 CYS CA 1 1
8 944 1 1 7 CYS CB C 4.531 0.590 2.002 1.00 . A A . 7 CYS CB 1 1
8 945 1 1 7 CYS H H 4.137 2.368 -0.116 1.00 . A A . 7 CYS H 1 1
8 946 1 1 7 CYS HA H 3.814 2.424 2.952 1.00 . A A . 7 CYS HA 1 1
8 947 1 1 7 CYS HB2 H 4.944 0.253 1.021 1.00 . A A . 7 CYS HB2 1 1
8 948 1 1 7 CYS HB3 H 5.228 0.191 2.773 1.00 . A A . 7 CYS HB3 1 1
8 949 1 1 7 CYS N N 3.743 2.534 0.817 1.00 . A A . 7 CYS N 1 1
8 950 1 1 7 CYS O O 5.815 4.164 2.161 1.00 . A A . 7 CYS O 1 1
8 951 1 1 7 CYS OXT O 6.837 2.216 2.325 1.00 . A A . 7 CYS OXT 1 1
8 952 1 1 7 CYS SG S 2.946 -0.196 2.305 1.00 . A A . 7 CYS SG 1 1
9 953 1 1 1 ARG C C 1.646 -7.550 -0.794 1.00 . A A . 1 ARG C 1 1
9 954 1 1 1 ARG CA C 0.587 -8.666 -0.757 1.00 . A A . 1 ARG CA 1 1
9 955 1 1 1 ARG CB C -0.510 -8.479 0.311 1.00 . A A . 1 ARG CB 1 1
9 956 1 1 1 ARG CD C -2.629 -7.159 1.091 1.00 . A A . 1 ARG CD 1 1
9 957 1 1 1 ARG CG C -1.404 -7.217 0.173 1.00 . A A . 1 ARG CG 1 1
9 958 1 1 1 ARG CZ C -4.650 -8.656 1.471 1.00 . A A . 1 ARG CZ 1 1
9 959 1 1 1 ARG H2 H 1.949 -10.166 -1.286 1.00 . A A . 1 ARG H2 1 1
9 960 1 1 1 ARG HA H 0.071 -8.728 -1.741 1.00 . A A . 1 ARG HA 1 1
9 961 1 1 1 ARG HB2 H -1.169 -9.378 0.295 1.00 . A A . 1 ARG HB2 1 1
9 962 1 1 1 ARG HB3 H -0.006 -8.519 1.322 1.00 . A A . 1 ARG HB3 1 1
9 963 1 1 1 ARG HD2 H -2.326 -7.288 2.169 1.00 . A A . 1 ARG HD2 1 1
9 964 1 1 1 ARG HD3 H -3.050 -6.165 1.048 1.00 . A A . 1 ARG HD3 1 1
9 965 1 1 1 ARG HE H -3.679 -8.471 -0.241 1.00 . A A . 1 ARG HE 1 1
9 966 1 1 1 ARG HG2 H -0.743 -6.328 0.377 1.00 . A A . 1 ARG HG2 1 1
9 967 1 1 1 ARG HG3 H -1.728 -7.078 -0.892 1.00 . A A . 1 ARG HG3 1 1
9 968 1 1 1 ARG HH11 H -6.173 -9.926 1.603 1.00 . A A . 1 ARG HH11 1 1
9 969 1 1 1 ARG HH12 H -5.358 -9.815 -0.006 1.00 . A A . 1 ARG HH12 1 1
9 970 1 1 1 ARG HH21 H -5.535 -8.770 3.253 1.00 . A A . 1 ARG HH21 1 1
9 971 1 1 1 ARG HH22 H -4.235 -7.520 3.019 1.00 . A A . 1 ARG HH22 1 1
9 972 1 1 1 ARG N N 1.251 -9.981 -0.558 1.00 . A A . 1 ARG N 1 1
9 973 1 1 1 ARG NE N -3.675 -8.127 0.694 1.00 . A A . 1 ARG NE 1 1
9 974 1 1 1 ARG NH1 N -5.461 -9.555 0.970 1.00 . A A . 1 ARG NH1 1 1
9 975 1 1 1 ARG NH2 N -4.843 -8.257 2.704 1.00 . A A . 1 ARG NH2 1 1
9 976 1 1 1 ARG O O 2.096 -7.112 0.274 1.00 . A A . 1 ARG O 1 1
9 977 1 1 2 ALA C C 2.300 -4.469 -1.888 1.00 . A A . 2 ALA C 1 1
9 978 1 1 2 ALA CA C 2.933 -5.885 -2.163 1.00 . A A . 2 ALA CA 1 1
9 979 1 1 2 ALA CB C 3.567 -5.964 -3.585 1.00 . A A . 2 ALA CB 1 1
9 980 1 1 2 ALA H H 1.501 -7.474 -2.799 1.00 . A A . 2 ALA H 1 1
9 981 1 1 2 ALA HA H 3.754 -6.042 -1.407 1.00 . A A . 2 ALA HA 1 1
9 982 1 1 2 ALA HB1 H 2.821 -5.867 -4.408 1.00 . A A . 2 ALA HB1 1 1
9 983 1 1 2 ALA HB2 H 4.309 -5.150 -3.736 1.00 . A A . 2 ALA HB2 1 1
9 984 1 1 2 ALA HB3 H 4.107 -6.909 -3.758 1.00 . A A . 2 ALA HB3 1 1
9 985 1 1 2 ALA N N 1.985 -7.017 -2.005 1.00 . A A . 2 ALA N 1 1
9 986 1 1 2 ALA O O 1.827 -3.778 -2.782 1.00 . A A . 2 ALA O 1 1
9 987 1 1 3 CYS C C 0.022 -2.916 -0.136 1.00 . A A . 3 CYS C 1 1
9 988 1 1 3 CYS CA C 1.594 -2.910 -0.037 1.00 . A A . 3 CYS CA 1 1
9 989 1 1 3 CYS CB C 2.331 -1.645 -0.579 1.00 . A A . 3 CYS CB 1 1
9 990 1 1 3 CYS H H 2.357 -4.965 0.053 1.00 . A A . 3 CYS H 1 1
9 991 1 1 3 CYS HA H 1.807 -2.979 1.042 1.00 . A A . 3 CYS HA 1 1
9 992 1 1 3 CYS HB2 H 3.436 -1.783 -0.578 1.00 . A A . 3 CYS HB2 1 1
9 993 1 1 3 CYS HB3 H 2.044 -1.451 -1.647 1.00 . A A . 3 CYS HB3 1 1
9 994 1 1 3 CYS N N 2.261 -4.138 -0.571 1.00 . A A . 3 CYS N 1 1
9 995 1 1 3 CYS O O -0.600 -3.775 -0.749 1.00 . A A . 3 CYS O 1 1
9 996 1 1 3 CYS SG S 1.969 -0.130 0.358 1.00 . A A . 3 CYS SG 1 1
9 997 1 1 4 ARG C C -1.799 -0.403 -1.217 1.00 . A A . 4 ARG C 1 1
9 998 1 1 4 ARG CA C -1.947 -1.392 0.014 1.00 . A A . 4 ARG CA 1 1
9 999 1 1 4 ARG CB C -2.714 -0.676 1.188 1.00 . A A . 4 ARG CB 1 1
9 1000 1 1 4 ARG CD C -4.066 -0.882 3.455 1.00 . A A . 4 ARG CD 1 1
9 1001 1 1 4 ARG CG C -3.202 -1.566 2.344 1.00 . A A . 4 ARG CG 1 1
9 1002 1 1 4 ARG CZ C -6.445 -0.129 3.661 1.00 . A A . 4 ARG CZ 1 1
9 1003 1 1 4 ARG H H 0.008 -1.278 1.004 1.00 . A A . 4 ARG H 1 1
9 1004 1 1 4 ARG HA H -2.582 -2.231 -0.318 1.00 . A A . 4 ARG HA 1 1
9 1005 1 1 4 ARG HB2 H -2.137 0.175 1.576 1.00 . A A . 4 ARG HB2 1 1
9 1006 1 1 4 ARG HB3 H -3.606 -0.186 0.755 1.00 . A A . 4 ARG HB3 1 1
9 1007 1 1 4 ARG HD2 H -4.064 -1.576 4.305 1.00 . A A . 4 ARG HD2 1 1
9 1008 1 1 4 ARG HD3 H -3.597 0.057 3.810 1.00 . A A . 4 ARG HD3 1 1
9 1009 1 1 4 ARG HE H -5.711 -0.919 2.016 1.00 . A A . 4 ARG HE 1 1
9 1010 1 1 4 ARG HG2 H -3.789 -2.422 1.950 1.00 . A A . 4 ARG HG2 1 1
9 1011 1 1 4 ARG HG3 H -2.324 -2.031 2.807 1.00 . A A . 4 ARG HG3 1 1
9 1012 1 1 4 ARG HH11 H -8.378 0.405 3.590 1.00 . A A . 4 ARG HH11 1 1
9 1013 1 1 4 ARG HH12 H -7.592 -0.318 2.065 1.00 . A A . 4 ARG HH12 1 1
9 1014 1 1 4 ARG HH21 H -7.163 0.680 5.369 1.00 . A A . 4 ARG HH21 1 1
9 1015 1 1 4 ARG HH22 H -5.412 0.181 5.270 1.00 . A A . 4 ARG HH22 1 1
9 1016 1 1 4 ARG N N -0.607 -1.890 0.455 1.00 . A A . 4 ARG N 1 1
9 1017 1 1 4 ARG NE N -5.450 -0.664 2.971 1.00 . A A . 4 ARG NE 1 1
9 1018 1 1 4 ARG NH1 N -7.611 -0.026 3.049 1.00 . A A . 4 ARG NH1 1 1
9 1019 1 1 4 ARG NH2 N -6.334 0.283 4.881 1.00 . A A . 4 ARG NH2 1 1
9 1020 1 1 4 ARG O O -2.381 -0.630 -2.271 1.00 . A A . 4 ARG O 1 1
9 1021 1 1 5 PHE C C 0.583 2.418 -1.949 1.00 . A A . 5 PHE C 1 1
9 1022 1 1 5 PHE CA C -0.770 1.680 -2.176 1.00 . A A . 5 PHE CA 1 1
9 1023 1 1 5 PHE CB C -1.995 2.540 -2.601 1.00 . A A . 5 PHE CB 1 1
9 1024 1 1 5 PHE CD1 C -3.489 2.999 -0.595 1.00 . A A . 5 PHE CD1 1 1
9 1025 1 1 5 PHE CD2 C -2.140 4.793 -1.407 1.00 . A A . 5 PHE CD2 1 1
9 1026 1 1 5 PHE CE1 C -3.982 3.820 0.437 1.00 . A A . 5 PHE CE1 1 1
9 1027 1 1 5 PHE CE2 C -2.621 5.627 -0.382 1.00 . A A . 5 PHE CE2 1 1
9 1028 1 1 5 PHE CG C -2.603 3.481 -1.528 1.00 . A A . 5 PHE CG 1 1
9 1029 1 1 5 PHE CZ C -3.553 5.129 0.538 1.00 . A A . 5 PHE CZ 1 1
9 1030 1 1 5 PHE H H -0.591 0.758 -0.166 1.00 . A A . 5 PHE H 1 1
9 1031 1 1 5 PHE HA H -0.546 1.059 -3.071 1.00 . A A . 5 PHE HA 1 1
9 1032 1 1 5 PHE HB2 H -1.725 3.116 -3.516 1.00 . A A . 5 PHE HB2 1 1
9 1033 1 1 5 PHE HB3 H -2.808 1.858 -2.965 1.00 . A A . 5 PHE HB3 1 1
9 1034 1 1 5 PHE HD1 H -3.777 1.950 -0.617 1.00 . A A . 5 PHE HD1 1 1
9 1035 1 1 5 PHE HD2 H -1.399 5.156 -2.084 1.00 . A A . 5 PHE HD2 1 1
9 1036 1 1 5 PHE HE1 H -4.654 3.424 1.185 1.00 . A A . 5 PHE HE1 1 1
9 1037 1 1 5 PHE HE2 H -2.252 6.659 -0.322 1.00 . A A . 5 PHE HE2 1 1
9 1038 1 1 5 PHE HZ H -4.003 5.767 1.274 1.00 . A A . 5 PHE HZ 1 1
9 1039 1 1 5 PHE N N -1.069 0.726 -1.062 1.00 . A A . 5 PHE N 1 1
9 1040 1 1 5 PHE O O 1.508 2.220 -2.727 1.00 . A A . 5 PHE O 1 1
9 1041 1 1 6 PHE C C 2.476 3.261 0.908 1.00 . A A . 6 PHE C 1 1
9 1042 1 1 6 PHE CA C 1.928 3.873 -0.428 1.00 . A A . 6 PHE CA 1 1
9 1043 1 1 6 PHE CB C 1.674 5.399 -0.338 1.00 . A A . 6 PHE CB 1 1
9 1044 1 1 6 PHE CD1 C 3.698 6.579 -1.345 1.00 . A A . 6 PHE CD1 1 1
9 1045 1 1 6 PHE CD2 C 3.471 6.618 1.067 1.00 . A A . 6 PHE CD2 1 1
9 1046 1 1 6 PHE CE1 C 4.928 7.233 -1.235 1.00 . A A . 6 PHE CE1 1 1
9 1047 1 1 6 PHE CE2 C 4.713 7.254 1.169 1.00 . A A . 6 PHE CE2 1 1
9 1048 1 1 6 PHE CG C 2.982 6.222 -0.198 1.00 . A A . 6 PHE CG 1 1
9 1049 1 1 6 PHE CZ C 5.417 7.564 0.021 1.00 . A A . 6 PHE CZ 1 1
9 1050 1 1 6 PHE H H -0.162 3.162 -0.272 1.00 . A A . 6 PHE H 1 1
9 1051 1 1 6 PHE HA H 2.696 3.731 -1.236 1.00 . A A . 6 PHE HA 1 1
9 1052 1 1 6 PHE HB2 H 1.106 5.737 -1.230 1.00 . A A . 6 PHE HB2 1 1
9 1053 1 1 6 PHE HB3 H 0.992 5.645 0.500 1.00 . A A . 6 PHE HB3 1 1
9 1054 1 1 6 PHE HD1 H 3.353 6.231 -2.335 1.00 . A A . 6 PHE HD1 1 1
9 1055 1 1 6 PHE HD2 H 2.926 6.421 1.965 1.00 . A A . 6 PHE HD2 1 1
9 1056 1 1 6 PHE HE1 H 5.464 7.480 -2.130 1.00 . A A . 6 PHE HE1 1 1
9 1057 1 1 6 PHE HE2 H 5.057 7.613 2.149 1.00 . A A . 6 PHE HE2 1 1
9 1058 1 1 6 PHE HZ H 6.343 8.066 0.104 1.00 . A A . 6 PHE HZ 1 1
9 1059 1 1 6 PHE N N 0.687 3.188 -0.844 1.00 . A A . 6 PHE N 1 1
9 1060 1 1 6 PHE O O 1.823 3.378 1.958 1.00 . A A . 6 PHE O 1 1
9 1061 1 1 7 CYS C C 5.776 2.882 2.037 1.00 . A A . 7 CYS C 1 1
9 1062 1 1 7 CYS CA C 4.418 2.155 1.999 1.00 . A A . 7 CYS CA 1 1
9 1063 1 1 7 CYS CB C 4.540 0.619 1.819 1.00 . A A . 7 CYS CB 1 1
9 1064 1 1 7 CYS H H 4.028 2.536 -0.138 1.00 . A A . 7 CYS H 1 1
9 1065 1 1 7 CYS HA H 3.816 2.296 2.957 1.00 . A A . 7 CYS HA 1 1
9 1066 1 1 7 CYS HB2 H 5.005 0.354 0.854 1.00 . A A . 7 CYS HB2 1 1
9 1067 1 1 7 CYS HB3 H 5.248 0.224 2.579 1.00 . A A . 7 CYS HB3 1 1
9 1068 1 1 7 CYS N N 3.665 2.637 0.815 1.00 . A A . 7 CYS N 1 1
9 1069 1 1 7 CYS O O 5.807 4.198 1.716 1.00 . A A . 7 CYS O 1 1
9 1070 1 1 7 CYS OXT O 6.840 2.330 2.345 1.00 . A A . 7 CYS OXT 1 1
9 1071 1 1 7 CYS SG S 2.939 -0.214 2.058 1.00 . A A . 7 CYS SG 1 1
10 1072 1 1 1 ARG C C 1.966 -7.659 -0.834 1.00 . A A . 1 ARG C 1 1
10 1073 1 1 1 ARG CA C 1.008 -8.900 -0.676 1.00 . A A . 1 ARG CA 1 1
10 1074 1 1 1 ARG CB C -0.146 -8.623 0.321 1.00 . A A . 1 ARG CB 1 1
10 1075 1 1 1 ARG CD C -2.376 -7.296 0.849 1.00 . A A . 1 ARG CD 1 1
10 1076 1 1 1 ARG CG C -1.230 -7.600 -0.146 1.00 . A A . 1 ARG CG 1 1
10 1077 1 1 1 ARG CZ C -4.400 -8.573 1.605 1.00 . A A . 1 ARG CZ 1 1
10 1078 1 1 1 ARG H2 H 2.570 -10.313 -0.765 1.00 . A A . 1 ARG H2 1 1
10 1079 1 1 1 ARG HA H 0.588 -9.196 -1.645 1.00 . A A . 1 ARG HA 1 1
10 1080 1 1 1 ARG HB2 H -0.662 -9.586 0.530 1.00 . A A . 1 ARG HB2 1 1
10 1081 1 1 1 ARG HB3 H 0.248 -8.332 1.326 1.00 . A A . 1 ARG HB3 1 1
10 1082 1 1 1 ARG HD2 H -1.980 -7.114 1.874 1.00 . A A . 1 ARG HD2 1 1
10 1083 1 1 1 ARG HD3 H -2.922 -6.352 0.512 1.00 . A A . 1 ARG HD3 1 1
10 1084 1 1 1 ARG HE H -3.131 -9.311 0.258 1.00 . A A . 1 ARG HE 1 1
10 1085 1 1 1 ARG HG2 H -0.710 -6.643 -0.358 1.00 . A A . 1 ARG HG2 1 1
10 1086 1 1 1 ARG HG3 H -1.643 -7.906 -1.155 1.00 . A A . 1 ARG HG3 1 1
10 1087 1 1 1 ARG HH11 H -5.943 -9.719 2.067 1.00 . A A . 1 ARG HH11 1 1
10 1088 1 1 1 ARG HH12 H -4.824 -10.316 0.730 1.00 . A A . 1 ARG HH12 1 1
10 1089 1 1 1 ARG HH21 H -5.682 -7.789 2.902 1.00 . A A . 1 ARG HH21 1 1
10 1090 1 1 1 ARG HH22 H -4.227 -6.803 2.426 1.00 . A A . 1 ARG HH22 1 1
10 1091 1 1 1 ARG N N 1.741 -10.104 -0.192 1.00 . A A . 1 ARG N 1 1
10 1092 1 1 1 ARG NE N -3.298 -8.455 0.850 1.00 . A A . 1 ARG NE 1 1
10 1093 1 1 1 ARG NH1 N -5.100 -9.668 1.481 1.00 . A A . 1 ARG NH1 1 1
10 1094 1 1 1 ARG NH2 N -4.795 -7.651 2.423 1.00 . A A . 1 ARG NH2 1 1
10 1095 1 1 1 ARG O O 2.569 -7.177 0.110 1.00 . A A . 1 ARG O 1 1
10 1096 1 1 2 ALA C C 2.051 -4.485 -2.023 1.00 . A A . 2 ALA C 1 1
10 1097 1 1 2 ALA CA C 2.815 -5.836 -2.338 1.00 . A A . 2 ALA CA 1 1
10 1098 1 1 2 ALA CB C 3.297 -5.971 -3.798 1.00 . A A . 2 ALA CB 1 1
10 1099 1 1 2 ALA H H 1.492 -7.591 -2.745 1.00 . A A . 2 ALA H 1 1
10 1100 1 1 2 ALA HA H 3.773 -5.838 -1.722 1.00 . A A . 2 ALA HA 1 1
10 1101 1 1 2 ALA HB1 H 2.447 -5.985 -4.528 1.00 . A A . 2 ALA HB1 1 1
10 1102 1 1 2 ALA HB2 H 3.928 -5.127 -4.084 1.00 . A A . 2 ALA HB2 1 1
10 1103 1 1 2 ALA HB3 H 3.907 -6.852 -3.997 1.00 . A A . 2 ALA HB3 1 1
10 1104 1 1 2 ALA N N 2.016 -7.078 -2.047 1.00 . A A . 2 ALA N 1 1
10 1105 1 1 2 ALA O O 1.663 -3.763 -2.929 1.00 . A A . 2 ALA O 1 1
10 1106 1 1 3 CYS C C -0.190 -2.731 -0.283 1.00 . A A . 3 CYS C 1 1
10 1107 1 1 3 CYS CA C 1.375 -2.932 -0.158 1.00 . A A . 3 CYS CA 1 1
10 1108 1 1 3 CYS CB C 2.241 -1.714 -0.631 1.00 . A A . 3 CYS CB 1 1
10 1109 1 1 3 CYS H H 2.271 -4.932 -0.105 1.00 . A A . 3 CYS H 1 1
10 1110 1 1 3 CYS HA H 1.614 -3.029 0.912 1.00 . A A . 3 CYS HA 1 1
10 1111 1 1 3 CYS HB2 H 3.316 -1.921 -0.505 1.00 . A A . 3 CYS HB2 1 1
10 1112 1 1 3 CYS HB3 H 2.114 -1.479 -1.705 1.00 . A A . 3 CYS HB3 1 1
10 1113 1 1 3 CYS N N 1.933 -4.188 -0.713 1.00 . A A . 3 CYS N 1 1
10 1114 1 1 3 CYS O O -0.887 -3.381 -1.102 1.00 . A A . 3 CYS O 1 1
10 1115 1 1 3 CYS SG S 1.899 -0.258 0.370 1.00 . A A . 3 CYS SG 1 1
10 1116 1 1 4 ARG C C -1.942 -0.149 -1.068 1.00 . A A . 4 ARG C 1 1
10 1117 1 1 4 ARG CA C -2.054 -1.131 0.178 1.00 . A A . 4 ARG CA 1 1
10 1118 1 1 4 ARG CB C -2.642 -0.396 1.429 1.00 . A A . 4 ARG CB 1 1
10 1119 1 1 4 ARG CD C -3.680 -0.456 3.767 1.00 . A A . 4 ARG CD 1 1
10 1120 1 1 4 ARG CG C -3.133 -1.308 2.585 1.00 . A A . 4 ARG CG 1 1
10 1121 1 1 4 ARG CZ C -5.606 1.101 4.198 1.00 . A A . 4 ARG CZ 1 1
10 1122 1 1 4 ARG H H -0.071 -1.346 1.139 1.00 . A A . 4 ARG H 1 1
10 1123 1 1 4 ARG HA H -2.767 -1.917 -0.104 1.00 . A A . 4 ARG HA 1 1
10 1124 1 1 4 ARG HB2 H -1.955 0.391 1.806 1.00 . A A . 4 ARG HB2 1 1
10 1125 1 1 4 ARG HB3 H -3.532 0.155 1.084 1.00 . A A . 4 ARG HB3 1 1
10 1126 1 1 4 ARG HD2 H -3.806 -1.110 4.622 1.00 . A A . 4 ARG HD2 1 1
10 1127 1 1 4 ARG HD3 H -2.894 0.282 4.046 1.00 . A A . 4 ARG HD3 1 1
10 1128 1 1 4 ARG HE H -5.532 -0.108 2.634 1.00 . A A . 4 ARG HE 1 1
10 1129 1 1 4 ARG HG2 H -3.904 -2.017 2.255 1.00 . A A . 4 ARG HG2 1 1
10 1130 1 1 4 ARG HG3 H -2.293 -1.957 2.910 1.00 . A A . 4 ARG HG3 1 1
10 1131 1 1 4 ARG HH11 H -7.276 2.221 4.397 1.00 . A A . 4 ARG HH11 1 1
10 1132 1 1 4 ARG HH12 H -7.143 1.125 2.951 1.00 . A A . 4 ARG HH12 1 1
10 1133 1 1 4 ARG HH21 H -5.678 2.286 5.812 1.00 . A A . 4 ARG HH21 1 1
10 1134 1 1 4 ARG HH22 H -4.193 1.284 5.578 1.00 . A A . 4 ARG HH22 1 1
10 1135 1 1 4 ARG N N -0.747 -1.774 0.507 1.00 . A A . 4 ARG N 1 1
10 1136 1 1 4 ARG NE N -4.980 0.200 3.436 1.00 . A A . 4 ARG NE 1 1
10 1137 1 1 4 ARG NH1 N -6.779 1.524 3.822 1.00 . A A . 4 ARG NH1 1 1
10 1138 1 1 4 ARG NH2 N -5.131 1.594 5.337 1.00 . A A . 4 ARG NH2 1 1
10 1139 1 1 4 ARG O O -2.611 -0.407 -2.081 1.00 . A A . 4 ARG O 1 1
10 1140 1 1 5 PHE C C 0.663 2.436 -1.957 1.00 . A A . 5 PHE C 1 1
10 1141 1 1 5 PHE CA C -0.798 1.849 -2.135 1.00 . A A . 5 PHE CA 1 1
10 1142 1 1 5 PHE CB C -1.960 2.893 -2.397 1.00 . A A . 5 PHE CB 1 1
10 1143 1 1 5 PHE CD1 C -3.012 3.587 -0.166 1.00 . A A . 5 PHE CD1 1 1
10 1144 1 1 5 PHE CD2 C -2.009 5.312 -1.514 1.00 . A A . 5 PHE CD2 1 1
10 1145 1 1 5 PHE CE1 C -3.322 4.549 0.806 1.00 . A A . 5 PHE CE1 1 1
10 1146 1 1 5 PHE CE2 C -2.326 6.265 -0.554 1.00 . A A . 5 PHE CE2 1 1
10 1147 1 1 5 PHE CG C -2.315 3.954 -1.315 1.00 . A A . 5 PHE CG 1 1
10 1148 1 1 5 PHE CZ C -2.990 5.882 0.607 1.00 . A A . 5 PHE CZ 1 1
10 1149 1 1 5 PHE H H -0.496 0.846 -0.169 1.00 . A A . 5 PHE H 1 1
10 1150 1 1 5 PHE HA H -0.690 1.199 -3.023 1.00 . A A . 5 PHE HA 1 1
10 1151 1 1 5 PHE HB2 H -1.723 3.434 -3.346 1.00 . A A . 5 PHE HB2 1 1
10 1152 1 1 5 PHE HB3 H -2.890 2.354 -2.683 1.00 . A A . 5 PHE HB3 1 1
10 1153 1 1 5 PHE HD1 H -3.235 2.552 0.018 1.00 . A A . 5 PHE HD1 1 1
10 1154 1 1 5 PHE HD2 H -1.497 5.630 -2.416 1.00 . A A . 5 PHE HD2 1 1
10 1155 1 1 5 PHE HE1 H -3.877 4.282 1.714 1.00 . A A . 5 PHE HE1 1 1
10 1156 1 1 5 PHE HE2 H -2.158 7.334 -0.735 1.00 . A A . 5 PHE HE2 1 1
10 1157 1 1 5 PHE HZ H -3.308 6.625 1.321 1.00 . A A . 5 PHE HZ 1 1
10 1158 1 1 5 PHE N N -1.097 0.915 -0.996 1.00 . A A . 5 PHE N 1 1
10 1159 1 1 5 PHE O O 1.553 1.994 -2.695 1.00 . A A . 5 PHE O 1 1
10 1160 1 1 6 PHE C C 2.599 3.227 0.813 1.00 . A A . 6 PHE C 1 1
10 1161 1 1 6 PHE CA C 2.224 3.781 -0.584 1.00 . A A . 6 PHE CA 1 1
10 1162 1 1 6 PHE CB C 2.163 5.334 -0.690 1.00 . A A . 6 PHE CB 1 1
10 1163 1 1 6 PHE CD1 C 4.446 6.239 -1.406 1.00 . A A . 6 PHE CD1 1 1
10 1164 1 1 6 PHE CD2 C 3.662 6.700 0.836 1.00 . A A . 6 PHE CD2 1 1
10 1165 1 1 6 PHE CE1 C 5.641 6.914 -1.114 1.00 . A A . 6 PHE CE1 1 1
10 1166 1 1 6 PHE CE2 C 4.836 7.400 1.118 1.00 . A A . 6 PHE CE2 1 1
10 1167 1 1 6 PHE CG C 3.457 6.108 -0.414 1.00 . A A . 6 PHE CG 1 1
10 1168 1 1 6 PHE CZ C 5.833 7.482 0.158 1.00 . A A . 6 PHE CZ 1 1
10 1169 1 1 6 PHE H H 0.022 3.647 -0.495 1.00 . A A . 6 PHE H 1 1
10 1170 1 1 6 PHE HA H 2.982 3.481 -1.342 1.00 . A A . 6 PHE HA 1 1
10 1171 1 1 6 PHE HB2 H 1.797 5.642 -1.710 1.00 . A A . 6 PHE HB2 1 1
10 1172 1 1 6 PHE HB3 H 1.359 5.682 0.007 1.00 . A A . 6 PHE HB3 1 1
10 1173 1 1 6 PHE HD1 H 4.337 5.764 -2.390 1.00 . A A . 6 PHE HD1 1 1
10 1174 1 1 6 PHE HD2 H 2.916 6.610 1.617 1.00 . A A . 6 PHE HD2 1 1
10 1175 1 1 6 PHE HE1 H 6.442 6.879 -1.857 1.00 . A A . 6 PHE HE1 1 1
10 1176 1 1 6 PHE HE2 H 4.985 7.869 2.079 1.00 . A A . 6 PHE HE2 1 1
10 1177 1 1 6 PHE HZ H 6.748 7.977 0.360 1.00 . A A . 6 PHE HZ 1 1
10 1178 1 1 6 PHE N N 0.870 3.322 -0.981 1.00 . A A . 6 PHE N 1 1
10 1179 1 1 6 PHE O O 2.050 3.589 1.856 1.00 . A A . 6 PHE O 1 1
10 1180 1 1 7 CYS C C 5.581 2.765 2.268 1.00 . A A . 7 CYS C 1 1
10 1181 1 1 7 CYS CA C 4.289 1.918 2.049 1.00 . A A . 7 CYS CA 1 1
10 1182 1 1 7 CYS CB C 4.475 0.399 2.032 1.00 . A A . 7 CYS CB 1 1
10 1183 1 1 7 CYS H H 3.926 2.061 -0.120 1.00 . A A . 7 CYS H 1 1
10 1184 1 1 7 CYS HA H 3.677 2.196 2.931 1.00 . A A . 7 CYS HA 1 1
10 1185 1 1 7 CYS HB2 H 4.982 0.016 1.122 1.00 . A A . 7 CYS HB2 1 1
10 1186 1 1 7 CYS HB3 H 5.100 0.056 2.871 1.00 . A A . 7 CYS HB3 1 1
10 1187 1 1 7 CYS N N 3.620 2.359 0.813 1.00 . A A . 7 CYS N 1 1
10 1188 1 1 7 CYS O O 5.468 4.042 2.707 1.00 . A A . 7 CYS O 1 1
10 1189 1 1 7 CYS OXT O 6.704 2.299 2.051 1.00 . A A . 7 CYS OXT 1 1
10 1190 1 1 7 CYS SG S 2.849 -0.374 2.134 1.00 . A A . 7 CYS SG 1 1
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