NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
568282 |
2m6e   |
19130 | cing | 4-filtered-FRED | STAR | entry | full | 49 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2m6e
# This FRED archive file contains, for PDB entry <2m6e>:
#
# - 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_2m6e
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2m6e
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 920.11
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 $Contryphan_In A . 1 1
stop_
save_
save_Contryphan_In
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Contryphan In"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code GCVXYPWC
_Entity.Number_of_monomers 8
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 GLY . 1 1
2 CYS . 1 1
3 VAL . 1 1
4 . $. 1 1
5 TYR . 1 1
6 PRO . 1 1
7 TRP . 1 1
8 CYS . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
GLY 1 1 1 1
CYS 2 2 1 1
VAL 3 3 1 1
. 4 4 1 1
TYR 5 5 1 1
PRO 6 6 1 1
TRP 7 7 1 1
CYS 8 8 1 1
stop_
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_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
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 CYS SG . 2 CYSS SG 1 1
1 1 2 1 1 8 CYS SG . 8 CYSS SG 1 1
2 1 1 1 1 2 CYS SG . 2 CYSS SG 1 1
2 1 2 1 1 8 CYS CB . 8 CYSS CB 1 1
3 1 1 1 1 2 CYS CB . 2 CYSS CB 1 1
3 1 2 1 1 8 CYS SG . 8 CYSS SG 1 1
4 1 1 1 1 2 CYS CB . 2 CYSS CB 1 1
4 1 2 1 1 8 CYS CB . 8 CYSS CB 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 . . . . . . . 2.1 1 1
2 1 . . . . . . . 3.1 1 1
3 1 . . . . . . . 3.1 1 1
4 1 . . . . . . . 4.5 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_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 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
21 1 . . . 1 2
22 1 . . . 1 2
23 1 . . . 1 2
24 1 . . . 1 2
25 1 . . . 1 2
26 1 . . . 1 2
27 1 . . . 1 2
28 1 . . . 1 2
29 1 . . . 1 2
30 1 . . . 1 2
31 1 . . . 1 2
32 1 . . . 1 2
33 1 . . . 1 2
34 1 . . . 1 2
35 1 . . . 1 2
36 1 . . . 1 2
37 1 . . . 1 2
38 1 . . . 1 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 GLY H1 . 1 GLY H 1 2
1 1 2 1 1 1 GLY QA . 1 GLY QA 1 2
2 1 1 1 1 1 GLY QA . 1 GLY QA 1 2
2 1 2 1 1 2 CYS H . 2 CYSS H 1 2
3 1 1 1 1 2 CYS H . 2 CYSS H 1 2
3 1 2 1 1 2 CYS HA . 2 CYSS HA 1 2
4 1 1 1 1 2 CYS HA . 2 CYSS HA 1 2
4 1 2 1 1 3 VAL H . 3 VAL H 1 2
5 1 1 1 1 2 CYS H . 2 CYSS H 1 2
5 1 2 1 1 2 CYS QB . 2 CYSS QB 1 2
6 1 1 1 1 2 CYS QB . 2 CYSS QB 1 2
6 1 2 1 1 3 VAL H . 3 VAL H 1 2
7 1 1 1 1 3 VAL H . 3 VAL H 1 2
7 1 2 1 1 3 VAL HA . 3 VAL HA 1 2
8 1 1 1 1 3 VAL HA . 3 VAL HA 1 2
8 1 2 1 1 5 TYR H . 5 TYR H 1 2
9 1 1 1 1 3 VAL H . 3 VAL H 1 2
9 1 2 1 1 3 VAL QG . 3 VAL QQG 1 2
10 1 1 1 1 3 VAL H . 3 VAL H 1 2
10 1 2 1 1 3 VAL HB . 3 VAL HB 1 2
11 1 1 1 1 3 VAL HA . 3 VAL HA 1 2
11 1 2 1 1 3 VAL QG . 3 VAL QQG 1 2
12 1 1 1 1 5 TYR HA . 5 TYR HA 1 2
12 1 2 1 1 7 TRP H . 7 TRP H 1 2
13 1 1 1 1 5 TYR H . 5 TYR H 1 2
13 1 2 1 1 8 CYS HA . 8 CYSS HA 1 2
14 1 1 1 1 5 TYR H . 5 TYR H 1 2
14 1 2 1 1 8 CYS H . 8 CYSS H 1 2
15 1 1 1 1 5 TYR HA . 5 TYR HA 1 2
15 1 2 1 1 8 CYS H . 8 CYSS H 1 2
16 1 1 1 1 5 TYR HA . 5 TYR HA 1 2
16 1 2 1 1 6 PRO HA . 6 PRO HA 1 2
17 1 1 1 1 5 TYR H . 5 TYR H 1 2
17 1 2 1 1 5 TYR QB . 5 TYR QB 1 2
18 1 1 1 1 5 TYR HA . 5 TYR HA 1 2
18 1 2 1 1 5 TYR QB . 5 TYR QB 1 2
19 1 1 1 1 1 GLY QA . 1 GLY QA 1 2
19 1 2 1 1 5 TYR QD . 5 TYR QD 1 2
20 1 1 1 1 2 CYS H . 2 CYSS H 1 2
20 1 2 1 1 5 TYR QD . 5 TYR QD 1 2
21 1 1 1 1 5 TYR QD . 5 TYR QD 1 2
21 1 2 1 1 6 PRO QB . 6 PRO QB 1 2
22 1 1 1 1 5 TYR QD . 5 TYR QD 1 2
22 1 2 1 1 6 PRO HA . 6 PRO HA 1 2
23 1 1 1 1 5 TYR QD . 5 TYR QD 1 2
23 1 2 1 1 6 PRO QD . 6 PRO QD 1 2
24 1 1 1 1 5 TYR QB . 5 TYR QB 1 2
24 1 2 1 1 5 TYR QD . 5 TYR QD 1 2
25 1 1 1 1 5 TYR HA . 5 TYR HA 1 2
25 1 2 1 1 5 TYR QD . 5 TYR QD 1 2
26 1 1 1 1 2 CYS H . 2 CYSS H 1 2
26 1 2 1 1 5 TYR QB . 5 TYR QB 1 2
27 1 1 1 1 5 TYR QE . 5 TYR QE 1 2
27 1 2 1 1 6 PRO HA . 6 PRO HA 1 2
28 1 1 1 1 5 TYR QE . 5 TYR QE 1 2
28 1 2 1 1 6 PRO QB . 6 PRO QB 1 2
29 1 1 1 1 6 PRO HA . 6 PRO HA 1 2
29 1 2 1 1 7 TRP H . 7 TRP H 1 2
30 1 1 1 1 6 PRO QD . 6 PRO QD 1 2
30 1 2 1 1 7 TRP H . 7 TRP H 1 2
31 1 1 1 1 6 PRO QG . 6 PRO QG 1 2
31 1 2 1 1 7 TRP H . 7 TRP H 1 2
32 1 1 1 1 7 TRP H . 7 TRP H 1 2
32 1 2 1 1 7 TRP HA . 7 TRP HA 1 2
33 1 1 1 1 7 TRP HA . 7 TRP HA 1 2
33 1 2 1 1 7 TRP HE3 . 7 TRP HE3 1 2
34 1 1 1 1 7 TRP H . 7 TRP H 1 2
34 1 2 1 1 7 TRP HE3 . 7 TRP HE3 1 2
35 1 1 1 1 7 TRP H . 7 TRP H 1 2
35 1 2 1 1 7 TRP QB . 7 TRP QB 1 2
36 1 1 1 1 7 TRP HA . 7 TRP HA 1 2
36 1 2 1 1 8 CYS H . 8 CYSS H 1 2
37 1 1 1 1 7 TRP H . 7 TRP H 1 2
37 1 2 1 1 8 CYS H . 8 CYSS H 1 2
38 1 1 1 1 8 CYS H . 8 CYSS H 1 2
38 1 2 1 1 8 CYS HA . 8 CYSS HA 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 3.0 1 2
2 1 . . . . . . . 2.4 1 2
3 1 . . . . . . . 3.0 1 2
4 1 . . . . . . . 2.4 1 2
5 1 . . . . . . . 3.5 1 2
6 1 . . . . . . . 3.5 1 2
7 1 . . . . . . . 3.0 1 2
8 1 . . . . . . . 4.5 1 2
9 1 . . . . . . . 3.5 1 2
10 1 . . . . . . . 3.0 1 2
11 1 . . . . . . . 3.0 1 2
12 1 . . . . . . . 3.0 1 2
13 1 . . . . . . . 3.5 1 2
14 1 . . . . . . . 5.0 1 2
15 1 . . . . . . . 3.5 1 2
16 1 . . . . . . . 2.4 1 2
17 1 . . . . . . . 2.5 1 2
18 1 . . . . . . . 2.5 1 2
19 1 . . . . . . . 4.0 1 2
20 1 . . . . . . . 4.5 1 2
21 1 . . . . . . . 5.0 1 2
22 1 . . . . . . . 2.5 1 2
23 1 . . . . . . . 3.5 1 2
24 1 . . . . . . . 2.5 1 2
25 1 . . . . . . . 4.0 1 2
26 1 . . . . . . . 3.5 1 2
27 1 . . . . . . . 4.5 1 2
28 1 . . . . . . . 5.0 1 2
29 1 . . . . . . . 3.5 1 2
30 1 . . . . . . . 3.5 1 2
31 1 . . . . . . . 4.5 1 2
32 1 . . . . . . . 3.0 1 2
33 1 . . . . . . . 3.0 1 2
34 1 . . . . . . . 4.0 1 2
35 1 . . . . . . . 3.0 1 2
36 1 . . . . . . . 3.5 1 2
37 1 . . . . . . . 4.0 1 2
38 1 . . . . . . . 3.0 1 2
stop_
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 3
2 1 . . . 1 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 CYS O . 2 CYSS O 1 3
1 1 2 1 1 5 TYR H . 5 TYR H 1 3
2 1 1 1 1 2 CYS O . 2 CYSS O 1 3
2 1 2 1 1 5 TYR N . 5 TYR N 1 3
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 . . . . . . . 2.2 1 3
2 1 . . . . . . . 3.2 1 3
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI 1 1 1 GLY C 1 1 2 CYS N 1 1 2 CYS CA 1 1 2 CYS C -160.0 -80.0 . 2 CYSS . . 2 CYSS . . 2 CYSS . . 2 CYSS . 1 1
2 CHI1 1 1 5 TYR N 1 1 5 TYR CA 1 1 5 TYR CB 1 1 5 TYR CG -210.0 -150.0 . 5 TYR . . 5 TYR . . 5 TYR . . 5 TYR . 1 1
3 PHI 1 1 6 PRO C 1 1 7 TRP N 1 1 7 TRP CA 1 1 7 TRP C -160.0 -80.0 . 7 TRP . . 7 TRP . . 7 TRP . . 7 TRP . 1 1
4 PHI 1 1 7 TRP C 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C -160.0 -80.0 . 8 CYSS . . 8 CYSS . . 8 CYSS . . 8 CYSS . 1 1
5 CHI1 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS CB 1 1 8 CYS SG -89.99999 -30.0 . 8 CYSS . . 8 CYSS . . 8 CYSS . . 8 CYSS . 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 GLY C C 3.448 -0.617 -1.104 1.00 . A A . 1 GLY C 1 1
1 2 1 1 1 GLY CA C 2.071 0.001 -1.247 1.00 . A A . 1 GLY CA 1 1
1 3 1 1 1 GLY H1 H 1.811 -0.001 0.854 1.00 . A A . 1 GLY H1 1 1
1 4 1 1 1 GLY HA2 H 1.514 -0.555 -1.986 1.00 . A A . 1 GLY HA2 1 1
1 5 1 1 1 GLY HA3 H 2.181 1.021 -1.587 1.00 . A A . 1 GLY HA3 1 1
1 6 1 1 1 GLY N N 1.330 0.000 0.000 1.00 . A A . 1 GLY N 1 1
1 7 1 1 1 GLY O O 4.422 0.079 -0.814 1.00 . A A . 1 GLY O 1 1
1 8 1 1 2 CYS C C 5.631 -2.469 -2.460 1.00 . A A . 2 CYS C 1 1
1 9 1 1 2 CYS CA C 4.797 -2.641 -1.194 1.00 . A A . 2 CYS CA 1 1
1 10 1 1 2 CYS CB C 4.548 -4.128 -0.931 1.00 . A A . 2 CYS CB 1 1
1 11 1 1 2 CYS H H 2.719 -2.429 -1.533 1.00 . A A . 2 CYS H 1 1
1 12 1 1 2 CYS HA H 5.341 -2.223 -0.360 1.00 . A A . 2 CYS HA 1 1
1 13 1 1 2 CYS HB2 H 5.499 -4.633 -0.842 1.00 . A A . 2 CYS HB2 1 1
1 14 1 1 2 CYS HB3 H 4.001 -4.235 -0.007 1.00 . A A . 2 CYS HB3 1 1
1 15 1 1 2 CYS N N 3.530 -1.928 -1.304 1.00 . A A . 2 CYS N 1 1
1 16 1 1 2 CYS O O 5.107 -2.523 -3.573 1.00 . A A . 2 CYS O 1 1
1 17 1 1 2 CYS SG S 3.598 -4.965 -2.241 1.00 . A A . 2 CYS SG 1 1
1 18 1 1 3 VAL C C 7.683 -3.212 -4.425 1.00 . A A . 3 VAL C 1 1
1 19 1 1 3 VAL CA C 7.839 -2.084 -3.410 1.00 . A A . 3 VAL CA 1 1
1 20 1 1 3 VAL CB C 9.306 -2.025 -2.947 1.00 . A A . 3 VAL CB 1 1
1 21 1 1 3 VAL CG1 C 10.232 -1.792 -4.131 1.00 . A A . 3 VAL CG1 1 1
1 22 1 1 3 VAL CG2 C 9.489 -0.941 -1.895 1.00 . A A . 3 VAL CG2 1 1
1 23 1 1 3 VAL H H 7.290 -2.230 -1.371 1.00 . A A . 3 VAL H 1 1
1 24 1 1 3 VAL HA H 7.596 -1.147 -3.889 1.00 . A A . 3 VAL HA 1 1
1 25 1 1 3 VAL HB H 9.560 -2.976 -2.501 1.00 . A A . 3 VAL HB 1 1
1 26 1 1 3 VAL HG11 H 9.712 -1.220 -4.886 1.00 . A A . 3 VAL HG11 1 1
1 27 1 1 3 VAL HG12 H 11.106 -1.249 -3.804 1.00 . A A . 3 VAL HG12 1 1
1 28 1 1 3 VAL HG13 H 10.533 -2.743 -4.545 1.00 . A A . 3 VAL HG13 1 1
1 29 1 1 3 VAL HG21 H 8.567 -0.390 -1.784 1.00 . A A . 3 VAL HG21 1 1
1 30 1 1 3 VAL HG22 H 9.752 -1.396 -0.951 1.00 . A A . 3 VAL HG22 1 1
1 31 1 1 3 VAL HG23 H 10.276 -0.270 -2.203 1.00 . A A . 3 VAL HG23 1 1
1 32 1 1 3 VAL N N 6.932 -2.263 -2.283 1.00 . A A . 3 VAL N 1 1
1 33 1 1 3 VAL O O 8.180 -4.311 -4.184 1.00 . A A . 3 VAL O 1 1
1 34 1 1 4 . C C 5.360 -3.803 -7.085 1.00 . A A . 4 DLE C 1 1
1 35 1 1 4 . CA C 6.792 -3.916 -6.560 1.00 . A A . 4 DLE CA 1 1
1 36 1 1 4 . CB C 7.858 -3.789 -7.651 1.00 . A A . 4 DLE CB 1 1
1 37 1 1 4 . CD1 C 7.969 -2.762 -9.951 1.00 . A A . 4 DLE CD1 1 1
1 38 1 1 4 . CD2 C 8.934 -1.528 -7.955 1.00 . A A . 4 DLE CD2 1 1
1 39 1 1 4 . CG C 7.848 -2.485 -8.451 1.00 . A A . 4 DLE CG 1 1
1 40 1 1 4 . H H 6.603 -2.023 -5.712 1.00 . A A . 4 DLE H 1 1
1 41 1 1 4 . HA H 6.916 -4.896 -6.101 1.00 . A A . 4 DLE HA 1 1
1 42 1 1 4 . HB2 H 7.739 -4.620 -8.346 1.00 . A A . 4 DLE HB2 1 1
1 43 1 1 4 . HB3 H 8.839 -3.900 -7.187 1.00 . A A . 4 DLE HB3 1 1
1 44 1 1 4 . HD11 H 8.895 -3.303 -10.147 1.00 . A A . 4 DLE HD11 1 1
1 45 1 1 4 . HD12 H 7.978 -1.817 -10.495 1.00 . A A . 4 DLE HD12 1 1
1 46 1 1 4 . HD13 H 7.121 -3.362 -10.280 1.00 . A A . 4 DLE HD13 1 1
1 47 1 1 4 . HD21 H 8.572 -0.992 -7.078 1.00 . A A . 4 DLE HD21 1 1
1 48 1 1 4 . HD22 H 9.177 -0.815 -8.742 1.00 . A A . 4 DLE HD22 1 1
1 49 1 1 4 . HD23 H 9.826 -2.097 -7.692 1.00 . A A . 4 DLE HD23 1 1
1 50 1 1 4 . HG H 6.888 -1.994 -8.291 1.00 . A A . 4 DLE HG 1 1
1 51 1 1 4 . N N 7.004 -2.919 -5.524 1.00 . A A . 4 DLE N 1 1
1 52 1 1 4 . O O 5.071 -4.060 -8.254 1.00 . A A . 4 DLE O 1 1
1 53 1 1 5 TYR C C 2.895 -2.570 -7.886 1.00 . A A . 5 TYR C 1 1
1 54 1 1 5 TYR CA C 3.054 -3.257 -6.533 1.00 . A A . 5 TYR CA 1 1
1 55 1 1 5 TYR CB C 2.328 -2.453 -5.453 1.00 . A A . 5 TYR CB 1 1
1 56 1 1 5 TYR CD1 C 0.775 -0.848 -6.631 1.00 . A A . 5 TYR CD1 1 1
1 57 1 1 5 TYR CD2 C -0.185 -2.706 -5.487 1.00 . A A . 5 TYR CD2 1 1
1 58 1 1 5 TYR CE1 C -0.484 -0.424 -7.010 1.00 . A A . 5 TYR CE1 1 1
1 59 1 1 5 TYR CE2 C -1.448 -2.290 -5.862 1.00 . A A . 5 TYR CE2 1 1
1 60 1 1 5 TYR CG C 0.947 -1.994 -5.865 1.00 . A A . 5 TYR CG 1 1
1 61 1 1 5 TYR CZ C -1.592 -1.149 -6.623 1.00 . A A . 5 TYR CZ 1 1
1 62 1 1 5 TYR H H 4.753 -3.220 -5.272 1.00 . A A . 5 TYR H 1 1
1 63 1 1 5 TYR HA H 2.617 -4.243 -6.589 1.00 . A A . 5 TYR HA 1 1
1 64 1 1 5 TYR HB2 H 2.223 -3.064 -4.569 1.00 . A A . 5 TYR HB2 1 1
1 65 1 1 5 TYR HB3 H 2.911 -1.577 -5.212 1.00 . A A . 5 TYR HB3 1 1
1 66 1 1 5 TYR HD1 H 1.645 -0.283 -6.933 1.00 . A A . 5 TYR HD1 1 1
1 67 1 1 5 TYR HD2 H -0.068 -3.599 -4.890 1.00 . A A . 5 TYR HD2 1 1
1 68 1 1 5 TYR HE1 H -0.598 0.469 -7.606 1.00 . A A . 5 TYR HE1 1 1
1 69 1 1 5 TYR HE2 H -2.316 -2.857 -5.559 1.00 . A A . 5 TYR HE2 1 1
1 70 1 1 5 TYR HH H -3.134 -0.019 -6.420 1.00 . A A . 5 TYR HH 1 1
1 71 1 1 5 TYR N N 4.462 -3.410 -6.188 1.00 . A A . 5 TYR N 1 1
1 72 1 1 5 TYR O O 3.592 -1.607 -8.208 1.00 . A A . 5 TYR O 1 1
1 73 1 1 5 TYR OH O -2.849 -0.731 -6.997 1.00 . A A . 5 TYR OH 1 1
1 74 1 1 6 PRO C C 1.914 -5.524 -8.272 1.00 . A A . 6 PRO C 1 1
1 75 1 1 6 PRO CA C 1.121 -4.222 -8.326 1.00 . A A . 6 PRO CA 1 1
1 76 1 1 6 PRO CB C 0.077 -4.279 -9.445 1.00 . A A . 6 PRO CB 1 1
1 77 1 1 6 PRO CD C 1.637 -2.569 -10.044 1.00 . A A . 6 PRO CD 1 1
1 78 1 1 6 PRO CG C 0.738 -3.632 -10.613 1.00 . A A . 6 PRO CG 1 1
1 79 1 1 6 PRO HA H 0.628 -4.063 -7.379 1.00 . A A . 6 PRO HA 1 1
1 80 1 1 6 PRO HB2 H -0.175 -5.309 -9.653 1.00 . A A . 6 PRO HB2 1 1
1 81 1 1 6 PRO HB3 H -0.808 -3.740 -9.143 1.00 . A A . 6 PRO HB3 1 1
1 82 1 1 6 PRO HD2 H 2.531 -2.471 -10.641 1.00 . A A . 6 PRO HD2 1 1
1 83 1 1 6 PRO HD3 H 1.115 -1.625 -9.985 1.00 . A A . 6 PRO HD3 1 1
1 84 1 1 6 PRO HG2 H 1.318 -4.361 -11.157 1.00 . A A . 6 PRO HG2 1 1
1 85 1 1 6 PRO HG3 H -0.007 -3.187 -11.255 1.00 . A A . 6 PRO HG3 1 1
1 86 1 1 6 PRO N N 1.956 -3.076 -8.699 1.00 . A A . 6 PRO N 1 1
1 87 1 1 6 PRO O O 1.545 -6.457 -7.560 1.00 . A A . 6 PRO O 1 1
1 88 1 1 7 TRP C C 4.777 -6.812 -7.854 1.00 . A A . 7 TRP C 1 1
1 89 1 1 7 TRP CA C 3.851 -6.766 -9.065 1.00 . A A . 7 TRP CA 1 1
1 90 1 1 7 TRP CB C 4.674 -6.791 -10.353 1.00 . A A . 7 TRP CB 1 1
1 91 1 1 7 TRP CD1 C 4.169 -5.616 -12.574 1.00 . A A . 7 TRP CD1 1 1
1 92 1 1 7 TRP CD2 C 2.616 -7.102 -11.944 1.00 . A A . 7 TRP CD2 1 1
1 93 1 1 7 TRP CE2 C 2.221 -6.532 -13.171 1.00 . A A . 7 TRP CE2 1 1
1 94 1 1 7 TRP CE3 C 1.794 -8.066 -11.355 1.00 . A A . 7 TRP CE3 1 1
1 95 1 1 7 TRP CG C 3.864 -6.503 -11.581 1.00 . A A . 7 TRP CG 1 1
1 96 1 1 7 TRP CH2 C 0.255 -7.840 -13.214 1.00 . A A . 7 TRP CH2 1 1
1 97 1 1 7 TRP CZ2 C 1.041 -6.894 -13.814 1.00 . A A . 7 TRP CZ2 1 1
1 98 1 1 7 TRP CZ3 C 0.622 -8.424 -11.994 1.00 . A A . 7 TRP CZ3 1 1
1 99 1 1 7 TRP H H 3.248 -4.801 -9.574 1.00 . A A . 7 TRP H 1 1
1 100 1 1 7 TRP HA H 3.205 -7.632 -9.043 1.00 . A A . 7 TRP HA 1 1
1 101 1 1 7 TRP HB2 H 5.456 -6.050 -10.288 1.00 . A A . 7 TRP HB2 1 1
1 102 1 1 7 TRP HB3 H 5.119 -7.769 -10.468 1.00 . A A . 7 TRP HB3 1 1
1 103 1 1 7 TRP HD1 H 5.055 -5.001 -12.589 1.00 . A A . 7 TRP HD1 1 1
1 104 1 1 7 TRP HE1 H 3.175 -5.079 -14.346 1.00 . A A . 7 TRP HE1 1 1
1 105 1 1 7 TRP HE3 H 2.060 -8.528 -10.415 1.00 . A A . 7 TRP HE3 1 1
1 106 1 1 7 TRP HH2 H -0.669 -8.150 -13.678 1.00 . A A . 7 TRP HH2 1 1
1 107 1 1 7 TRP HZ2 H 0.744 -6.454 -14.755 1.00 . A A . 7 TRP HZ2 1 1
1 108 1 1 7 TRP HZ3 H -0.026 -9.167 -11.553 1.00 . A A . 7 TRP HZ3 1 1
1 109 1 1 7 TRP N N 3.005 -5.578 -9.028 1.00 . A A . 7 TRP N 1 1
1 110 1 1 7 TRP NE1 N 3.184 -5.628 -13.533 1.00 . A A . 7 TRP NE1 1 1
1 111 1 1 7 TRP O O 5.974 -6.548 -7.966 1.00 . A A . 7 TRP O 1 1
1 112 1 1 8 CYS C C 5.760 -8.548 -5.393 1.00 . A A . 8 CYS C 1 1
1 113 1 1 8 CYS CA C 4.991 -7.232 -5.466 1.00 . A A . 8 CYS CA 1 1
1 114 1 1 8 CYS CB C 4.072 -7.096 -4.251 1.00 . A A . 8 CYS CB 1 1
1 115 1 1 8 CYS H H 3.256 -7.350 -6.672 1.00 . A A . 8 CYS H 1 1
1 116 1 1 8 CYS HA H 5.698 -6.416 -5.464 1.00 . A A . 8 CYS HA 1 1
1 117 1 1 8 CYS HB2 H 3.099 -7.495 -4.499 1.00 . A A . 8 CYS HB2 1 1
1 118 1 1 8 CYS HB3 H 4.488 -7.662 -3.430 1.00 . A A . 8 CYS HB3 1 1
1 119 1 1 8 CYS N N 4.216 -7.151 -6.698 1.00 . A A . 8 CYS N 1 1
1 120 1 1 8 CYS O O 5.326 -9.495 -4.737 1.00 . A A . 8 CYS O 1 1
1 121 1 1 8 CYS SG S 3.838 -5.382 -3.682 1.00 . A A . 8 CYS SG 1 1
2 122 1 1 1 GLY C C 3.416 -0.689 -1.050 1.00 . A A . 1 GLY C 1 1
2 123 1 1 1 GLY CA C 2.036 -0.079 -1.193 1.00 . A A . 1 GLY CA 1 1
2 124 1 1 1 GLY H1 H 2.298 1.634 0.024 1.00 . A A . 1 GLY H1 1 1
2 125 1 1 1 GLY HA2 H 1.354 -0.598 -0.536 1.00 . A A . 1 GLY HA2 1 1
2 126 1 1 1 GLY HA3 H 1.704 -0.205 -2.213 1.00 . A A . 1 GLY HA3 1 1
2 127 1 1 1 GLY N N 2.018 1.335 -0.866 1.00 . A A . 1 GLY N 1 1
2 128 1 1 1 GLY O O 4.385 0.010 -0.750 1.00 . A A . 1 GLY O 1 1
2 129 1 1 2 CYS C C 5.616 -2.515 -2.416 1.00 . A A . 2 CYS C 1 1
2 130 1 1 2 CYS CA C 4.779 -2.704 -1.154 1.00 . A A . 2 CYS CA 1 1
2 131 1 1 2 CYS CB C 4.539 -4.194 -0.907 1.00 . A A . 2 CYS CB 1 1
2 132 1 1 2 CYS H H 2.700 -2.502 -1.499 1.00 . A A . 2 CYS H 1 1
2 133 1 1 2 CYS HA H 5.317 -2.291 -0.315 1.00 . A A . 2 CYS HA 1 1
2 134 1 1 2 CYS HB2 H 5.491 -4.687 -0.770 1.00 . A A . 2 CYS HB2 1 1
2 135 1 1 2 CYS HB3 H 3.946 -4.312 -0.012 1.00 . A A . 2 CYS HB3 1 1
2 136 1 1 2 CYS N N 3.508 -1.998 -1.263 1.00 . A A . 2 CYS N 1 1
2 137 1 1 2 CYS O O 5.096 -2.556 -3.531 1.00 . A A . 2 CYS O 1 1
2 138 1 1 2 CYS SG S 3.669 -5.042 -2.264 1.00 . A A . 2 CYS SG 1 1
2 139 1 1 3 VAL C C 7.676 -3.229 -4.382 1.00 . A A . 3 VAL C 1 1
2 140 1 1 3 VAL CA C 7.826 -2.113 -3.354 1.00 . A A . 3 VAL CA 1 1
2 141 1 1 3 VAL CB C 9.292 -2.055 -2.884 1.00 . A A . 3 VAL CB 1 1
2 142 1 1 3 VAL CG1 C 10.222 -1.824 -4.065 1.00 . A A . 3 VAL CG1 1 1
2 143 1 1 3 VAL CG2 C 9.472 -0.970 -1.833 1.00 . A A . 3 VAL CG2 1 1
2 144 1 1 3 VAL H H 7.271 -2.285 -1.319 1.00 . A A . 3 VAL H 1 1
2 145 1 1 3 VAL HA H 7.582 -1.170 -3.822 1.00 . A A . 3 VAL HA 1 1
2 146 1 1 3 VAL HB H 9.543 -3.005 -2.437 1.00 . A A . 3 VAL HB 1 1
2 147 1 1 3 VAL HG11 H 10.791 -2.722 -4.256 1.00 . A A . 3 VAL HG11 1 1
2 148 1 1 3 VAL HG12 H 9.639 -1.573 -4.940 1.00 . A A . 3 VAL HG12 1 1
2 149 1 1 3 VAL HG13 H 10.898 -1.012 -3.838 1.00 . A A . 3 VAL HG13 1 1
2 150 1 1 3 VAL HG21 H 9.301 -1.388 -0.853 1.00 . A A . 3 VAL HG21 1 1
2 151 1 1 3 VAL HG22 H 10.477 -0.578 -1.888 1.00 . A A . 3 VAL HG22 1 1
2 152 1 1 3 VAL HG23 H 8.765 -0.173 -2.013 1.00 . A A . 3 VAL HG23 1 1
2 153 1 1 3 VAL N N 6.916 -2.307 -2.231 1.00 . A A . 3 VAL N 1 1
2 154 1 1 3 VAL O O 8.177 -4.329 -4.153 1.00 . A A . 3 VAL O 1 1
2 155 1 1 4 . C C 5.364 -3.794 -7.057 1.00 . A A . 4 DLE C 1 1
2 156 1 1 4 . CA C 6.795 -3.910 -6.529 1.00 . A A . 4 DLE CA 1 1
2 157 1 1 4 . CB C 7.864 -3.768 -7.613 1.00 . A A . 4 DLE CB 1 1
2 158 1 1 4 . CD1 C 7.392 -2.534 -9.762 1.00 . A A . 4 DLE CD1 1 1
2 159 1 1 4 . CD2 C 9.329 -1.827 -8.284 1.00 . A A . 4 DLE CD2 1 1
2 160 1 1 4 . CG C 7.918 -2.417 -8.330 1.00 . A A . 4 DLE CG 1 1
2 161 1 1 4 . H H 6.596 -2.028 -5.658 1.00 . A A . 4 DLE H 1 1
2 162 1 1 4 . HA H 6.919 -4.895 -6.080 1.00 . A A . 4 DLE HA 1 1
2 163 1 1 4 . HB2 H 7.703 -4.546 -8.359 1.00 . A A . 4 DLE HB2 1 1
2 164 1 1 4 . HB3 H 8.838 -3.956 -7.162 1.00 . A A . 4 DLE HB3 1 1
2 165 1 1 4 . HD11 H 6.310 -2.664 -9.742 1.00 . A A . 4 DLE HD11 1 1
2 166 1 1 4 . HD12 H 7.852 -3.395 -10.248 1.00 . A A . 4 DLE HD12 1 1
2 167 1 1 4 . HD13 H 7.640 -1.628 -10.315 1.00 . A A . 4 DLE HD13 1 1
2 168 1 1 4 . HD21 H 9.461 -1.273 -7.355 1.00 . A A . 4 DLE HD21 1 1
2 169 1 1 4 . HD22 H 9.470 -1.156 -9.131 1.00 . A A . 4 DLE HD22 1 1
2 170 1 1 4 . HD23 H 10.061 -2.633 -8.333 1.00 . A A . 4 DLE HD23 1 1
2 171 1 1 4 . HG H 7.263 -1.724 -7.802 1.00 . A A . 4 DLE HG 1 1
2 172 1 1 4 . N N 7.000 -2.925 -5.480 1.00 . A A . 4 DLE N 1 1
2 173 1 1 4 . O O 5.079 -4.040 -8.230 1.00 . A A . 4 DLE O 1 1
2 174 1 1 5 TYR C C 2.900 -2.558 -7.854 1.00 . A A . 5 TYR C 1 1
2 175 1 1 5 TYR CA C 3.055 -3.259 -6.507 1.00 . A A . 5 TYR CA 1 1
2 176 1 1 5 TYR CB C 2.323 -2.468 -5.421 1.00 . A A . 5 TYR CB 1 1
2 177 1 1 5 TYR CD1 C 0.772 -0.853 -6.588 1.00 . A A . 5 TYR CD1 1 1
2 178 1 1 5 TYR CD2 C -0.189 -2.725 -5.468 1.00 . A A . 5 TYR CD2 1 1
2 179 1 1 5 TYR CE1 C -0.487 -0.428 -6.967 1.00 . A A . 5 TYR CE1 1 1
2 180 1 1 5 TYR CE2 C -1.451 -2.307 -5.843 1.00 . A A . 5 TYR CE2 1 1
2 181 1 1 5 TYR CG C 0.943 -2.007 -5.834 1.00 . A A . 5 TYR CG 1 1
2 182 1 1 5 TYR CZ C -1.595 -1.158 -6.592 1.00 . A A . 5 TYR CZ 1 1
2 183 1 1 5 TYR H H 4.750 -3.231 -5.240 1.00 . A A . 5 TYR H 1 1
2 184 1 1 5 TYR HA H 2.620 -4.245 -6.575 1.00 . A A . 5 TYR HA 1 1
2 185 1 1 5 TYR HB2 H 2.216 -3.088 -4.544 1.00 . A A . 5 TYR HB2 1 1
2 186 1 1 5 TYR HB3 H 2.904 -1.593 -5.169 1.00 . A A . 5 TYR HB3 1 1
2 187 1 1 5 TYR HD1 H 1.642 -0.283 -6.880 1.00 . A A . 5 TYR HD1 1 1
2 188 1 1 5 TYR HD2 H -0.073 -3.624 -4.880 1.00 . A A . 5 TYR HD2 1 1
2 189 1 1 5 TYR HE1 H -0.600 0.472 -7.554 1.00 . A A . 5 TYR HE1 1 1
2 190 1 1 5 TYR HE2 H -2.319 -2.879 -5.549 1.00 . A A . 5 TYR HE2 1 1
2 191 1 1 5 TYR HH H -3.402 -1.503 -7.149 1.00 . A A . 5 TYR HH 1 1
2 192 1 1 5 TYR N N 4.462 -3.413 -6.159 1.00 . A A . 5 TYR N 1 1
2 193 1 1 5 TYR O O 3.595 -1.590 -8.163 1.00 . A A . 5 TYR O 1 1
2 194 1 1 5 TYR OH O -2.851 -0.738 -6.967 1.00 . A A . 5 TYR OH 1 1
2 195 1 1 6 PRO C C 1.926 -5.509 -8.274 1.00 . A A . 6 PRO C 1 1
2 196 1 1 6 PRO CA C 1.131 -4.209 -8.318 1.00 . A A . 6 PRO CA 1 1
2 197 1 1 6 PRO CB C 0.091 -4.256 -9.440 1.00 . A A . 6 PRO CB 1 1
2 198 1 1 6 PRO CD C 1.648 -2.537 -10.016 1.00 . A A . 6 PRO CD 1 1
2 199 1 1 6 PRO CG C 0.754 -3.595 -10.599 1.00 . A A . 6 PRO CG 1 1
2 200 1 1 6 PRO HA H 0.634 -4.061 -7.370 1.00 . A A . 6 PRO HA 1 1
2 201 1 1 6 PRO HB2 H -0.159 -5.285 -9.660 1.00 . A A . 6 PRO HB2 1 1
2 202 1 1 6 PRO HB3 H -0.797 -3.722 -9.136 1.00 . A A . 6 PRO HB3 1 1
2 203 1 1 6 PRO HD2 H 2.544 -2.431 -10.609 1.00 . A A . 6 PRO HD2 1 1
2 204 1 1 6 PRO HD3 H 1.124 -1.595 -9.949 1.00 . A A . 6 PRO HD3 1 1
2 205 1 1 6 PRO HG2 H 1.338 -4.318 -11.149 1.00 . A A . 6 PRO HG2 1 1
2 206 1 1 6 PRO HG3 H 0.010 -3.146 -11.240 1.00 . A A . 6 PRO HG3 1 1
2 207 1 1 6 PRO N N 1.964 -3.058 -8.675 1.00 . A A . 6 PRO N 1 1
2 208 1 1 6 PRO O O 1.556 -6.451 -7.573 1.00 . A A . 6 PRO O 1 1
2 209 1 1 7 TRP C C 4.790 -6.797 -7.860 1.00 . A A . 7 TRP C 1 1
2 210 1 1 7 TRP CA C 3.868 -6.739 -9.073 1.00 . A A . 7 TRP CA 1 1
2 211 1 1 7 TRP CB C 4.696 -6.749 -10.359 1.00 . A A . 7 TRP CB 1 1
2 212 1 1 7 TRP CD1 C 4.196 -5.553 -12.569 1.00 . A A . 7 TRP CD1 1 1
2 213 1 1 7 TRP CD2 C 2.644 -7.048 -11.960 1.00 . A A . 7 TRP CD2 1 1
2 214 1 1 7 TRP CE2 C 2.252 -6.466 -13.182 1.00 . A A . 7 TRP CE2 1 1
2 215 1 1 7 TRP CE3 C 1.822 -8.020 -11.383 1.00 . A A . 7 TRP CE3 1 1
2 216 1 1 7 TRP CG C 3.890 -6.450 -11.586 1.00 . A A . 7 TRP CG 1 1
2 217 1 1 7 TRP CH2 C 0.289 -7.778 -13.246 1.00 . A A . 7 TRP CH2 1 1
2 218 1 1 7 TRP CZ2 C 1.075 -6.824 -13.833 1.00 . A A . 7 TRP CZ2 1 1
2 219 1 1 7 TRP CZ3 C 0.653 -8.374 -12.031 1.00 . A A . 7 TRP CZ3 1 1
2 220 1 1 7 TRP H H 3.263 -4.771 -9.564 1.00 . A A . 7 TRP H 1 1
2 221 1 1 7 TRP HA H 3.224 -7.607 -9.063 1.00 . A A . 7 TRP HA 1 1
2 222 1 1 7 TRP HB2 H 5.476 -6.007 -10.283 1.00 . A A . 7 TRP HB2 1 1
2 223 1 1 7 TRP HB3 H 5.143 -7.725 -10.482 1.00 . A A . 7 TRP HB3 1 1
2 224 1 1 7 TRP HD1 H 5.081 -4.936 -12.575 1.00 . A A . 7 TRP HD1 1 1
2 225 1 1 7 TRP HE1 H 3.208 -4.999 -14.338 1.00 . A A . 7 TRP HE1 1 1
2 226 1 1 7 TRP HE3 H 2.085 -8.491 -10.448 1.00 . A A . 7 TRP HE3 1 1
2 227 1 1 7 TRP HH2 H -0.632 -8.085 -13.716 1.00 . A A . 7 TRP HH2 1 1
2 228 1 1 7 TRP HZ2 H 0.780 -6.374 -14.770 1.00 . A A . 7 TRP HZ2 1 1
2 229 1 1 7 TRP HZ3 H 0.005 -9.123 -11.600 1.00 . A A . 7 TRP HZ3 1 1
2 230 1 1 7 TRP N N 3.020 -5.554 -9.026 1.00 . A A . 7 TRP N 1 1
2 231 1 1 7 TRP NE1 N 3.215 -5.556 -13.531 1.00 . A A . 7 TRP NE1 1 1
2 232 1 1 7 TRP O O 5.987 -6.529 -7.964 1.00 . A A . 7 TRP O 1 1
2 233 1 1 8 CYS C C 5.767 -8.556 -5.413 1.00 . A A . 8 CYS C 1 1
2 234 1 1 8 CYS CA C 4.997 -7.240 -5.475 1.00 . A A . 8 CYS CA 1 1
2 235 1 1 8 CYS CB C 4.073 -7.120 -4.262 1.00 . A A . 8 CYS CB 1 1
2 236 1 1 8 CYS H H 3.266 -7.350 -6.689 1.00 . A A . 8 CYS H 1 1
2 237 1 1 8 CYS HA H 5.702 -6.423 -5.463 1.00 . A A . 8 CYS HA 1 1
2 238 1 1 8 CYS HB2 H 3.102 -7.518 -4.517 1.00 . A A . 8 CYS HB2 1 1
2 239 1 1 8 CYS HB3 H 4.487 -7.693 -3.445 1.00 . A A . 8 CYS HB3 1 1
2 240 1 1 8 CYS N N 4.225 -7.148 -6.709 1.00 . A A . 8 CYS N 1 1
2 241 1 1 8 CYS O O 5.229 -9.582 -4.998 1.00 . A A . 8 CYS O 1 1
2 242 1 1 8 CYS SG S 3.834 -5.411 -3.676 1.00 . A A . 8 CYS SG 1 1
3 243 1 1 1 GLY C C 3.415 -0.712 -1.031 1.00 . A A . 1 GLY C 1 1
3 244 1 1 1 GLY CA C 2.031 -0.109 -1.166 1.00 . A A . 1 GLY CA 1 1
3 245 1 1 1 GLY H1 H 2.743 1.698 -0.324 1.00 . A A . 1 GLY H1 1 1
3 246 1 1 1 GLY HA2 H 1.356 -0.632 -0.505 1.00 . A A . 1 GLY HA2 1 1
3 247 1 1 1 GLY HA3 H 1.694 -0.236 -2.184 1.00 . A A . 1 GLY HA3 1 1
3 248 1 1 1 GLY N N 2.008 1.304 -0.838 1.00 . A A . 1 GLY N 1 1
3 249 1 1 1 GLY O O 4.381 -0.009 -0.735 1.00 . A A . 1 GLY O 1 1
3 250 1 1 2 CYS C C 5.618 -2.523 -2.412 1.00 . A A . 2 CYS C 1 1
3 251 1 1 2 CYS CA C 4.788 -2.719 -1.147 1.00 . A A . 2 CYS CA 1 1
3 252 1 1 2 CYS CB C 4.557 -4.212 -0.902 1.00 . A A . 2 CYS CB 1 1
3 253 1 1 2 CYS H H 2.707 -2.528 -1.481 1.00 . A A . 2 CYS H 1 1
3 254 1 1 2 CYS HA H 5.328 -2.305 -0.309 1.00 . A A . 2 CYS HA 1 1
3 255 1 1 2 CYS HB2 H 5.513 -4.701 -0.782 1.00 . A A . 2 CYS HB2 1 1
3 256 1 1 2 CYS HB3 H 3.980 -4.335 0.002 1.00 . A A . 2 CYS HB3 1 1
3 257 1 1 2 CYS N N 3.513 -2.020 -1.247 1.00 . A A . 2 CYS N 1 1
3 258 1 1 2 CYS O O 5.092 -2.565 -3.525 1.00 . A A . 2 CYS O 1 1
3 259 1 1 2 CYS SG S 3.668 -5.057 -2.249 1.00 . A A . 2 CYS SG 1 1
3 260 1 1 3 VAL C C 7.672 -3.220 -4.390 1.00 . A A . 3 VAL C 1 1
3 261 1 1 3 VAL CA C 7.821 -2.106 -3.361 1.00 . A A . 3 VAL CA 1 1
3 262 1 1 3 VAL CB C 9.288 -2.041 -2.898 1.00 . A A . 3 VAL CB 1 1
3 263 1 1 3 VAL CG1 C 10.214 -1.831 -4.087 1.00 . A A . 3 VAL CG1 1 1
3 264 1 1 3 VAL CG2 C 9.473 -0.938 -1.867 1.00 . A A . 3 VAL CG2 1 1
3 265 1 1 3 VAL H H 7.277 -2.285 -1.323 1.00 . A A . 3 VAL H 1 1
3 266 1 1 3 VAL HA H 7.569 -1.163 -3.825 1.00 . A A . 3 VAL HA 1 1
3 267 1 1 3 VAL HB H 9.541 -2.983 -2.436 1.00 . A A . 3 VAL HB 1 1
3 268 1 1 3 VAL HG11 H 10.280 -2.746 -4.657 1.00 . A A . 3 VAL HG11 1 1
3 269 1 1 3 VAL HG12 H 9.823 -1.043 -4.714 1.00 . A A . 3 VAL HG12 1 1
3 270 1 1 3 VAL HG13 H 11.197 -1.556 -3.734 1.00 . A A . 3 VAL HG13 1 1
3 271 1 1 3 VAL HG21 H 10.516 -0.872 -1.595 1.00 . A A . 3 VAL HG21 1 1
3 272 1 1 3 VAL HG22 H 9.151 0.005 -2.286 1.00 . A A . 3 VAL HG22 1 1
3 273 1 1 3 VAL HG23 H 8.885 -1.162 -0.990 1.00 . A A . 3 VAL HG23 1 1
3 274 1 1 3 VAL N N 6.917 -2.307 -2.234 1.00 . A A . 3 VAL N 1 1
3 275 1 1 3 VAL O O 8.179 -4.318 -4.167 1.00 . A A . 3 VAL O 1 1
3 276 1 1 4 . C C 5.350 -3.793 -7.056 1.00 . A A . 4 DLE C 1 1
3 277 1 1 4 . CA C 6.784 -3.901 -6.535 1.00 . A A . 4 DLE CA 1 1
3 278 1 1 4 . CB C 7.847 -3.750 -7.624 1.00 . A A . 4 DLE CB 1 1
3 279 1 1 4 . CD1 C 7.536 -2.489 -9.786 1.00 . A A . 4 DLE CD1 1 1
3 280 1 1 4 . CD2 C 9.295 -1.745 -8.116 1.00 . A A . 4 DLE CD2 1 1
3 281 1 1 4 . CG C 7.918 -2.383 -8.308 1.00 . A A . 4 DLE CG 1 1
3 282 1 1 4 . H H 6.580 -2.022 -5.659 1.00 . A A . 4 DLE H 1 1
3 283 1 1 4 . HA H 6.917 -4.887 -6.089 1.00 . A A . 4 DLE HA 1 1
3 284 1 1 4 . HB2 H 7.667 -4.507 -8.388 1.00 . A A . 4 DLE HB2 1 1
3 285 1 1 4 . HB3 H 8.822 -3.966 -7.186 1.00 . A A . 4 DLE HB3 1 1
3 286 1 1 4 . HD11 H 7.733 -3.501 -10.140 1.00 . A A . 4 DLE HD11 1 1
3 287 1 1 4 . HD12 H 8.127 -1.780 -10.365 1.00 . A A . 4 DLE HD12 1 1
3 288 1 1 4 . HD13 H 6.477 -2.261 -9.904 1.00 . A A . 4 DLE HD13 1 1
3 289 1 1 4 . HD21 H 9.535 -1.131 -8.984 1.00 . A A . 4 DLE HD21 1 1
3 290 1 1 4 . HD22 H 10.046 -2.527 -8.006 1.00 . A A . 4 DLE HD22 1 1
3 291 1 1 4 . HD23 H 9.285 -1.121 -7.222 1.00 . A A . 4 DLE HD23 1 1
3 292 1 1 4 . HG H 7.190 -1.726 -7.834 1.00 . A A . 4 DLE HG 1 1
3 293 1 1 4 . N N 6.989 -2.918 -5.484 1.00 . A A . 4 DLE N 1 1
3 294 1 1 4 . O O 5.061 -4.037 -8.227 1.00 . A A . 4 DLE O 1 1
3 295 1 1 5 TYR C C 2.875 -2.569 -7.836 1.00 . A A . 5 TYR C 1 1
3 296 1 1 5 TYR CA C 3.041 -3.271 -6.493 1.00 . A A . 5 TYR CA 1 1
3 297 1 1 5 TYR CB C 2.310 -2.488 -5.401 1.00 . A A . 5 TYR CB 1 1
3 298 1 1 5 TYR CD1 C 0.743 -0.879 -6.556 1.00 . A A . 5 TYR CD1 1 1
3 299 1 1 5 TYR CD2 C -0.200 -2.759 -5.435 1.00 . A A . 5 TYR CD2 1 1
3 300 1 1 5 TYR CE1 C -0.520 -0.460 -6.927 1.00 . A A . 5 TYR CE1 1 1
3 301 1 1 5 TYR CE2 C -1.467 -2.348 -5.803 1.00 . A A . 5 TYR CE2 1 1
3 302 1 1 5 TYR CG C 0.925 -2.034 -5.805 1.00 . A A . 5 TYR CG 1 1
3 303 1 1 5 TYR CZ C -1.622 -1.198 -6.549 1.00 . A A . 5 TYR CZ 1 1
3 304 1 1 5 TYR H H 4.742 -3.237 -5.234 1.00 . A A . 5 TYR H 1 1
3 305 1 1 5 TYR HA H 2.611 -4.260 -6.561 1.00 . A A . 5 TYR HA 1 1
3 306 1 1 5 TYR HB2 H 2.212 -3.110 -4.525 1.00 . A A . 5 TYR HB2 1 1
3 307 1 1 5 TYR HB3 H 2.887 -1.610 -5.150 1.00 . A A . 5 TYR HB3 1 1
3 308 1 1 5 TYR HD1 H 1.609 -0.303 -6.851 1.00 . A A . 5 TYR HD1 1 1
3 309 1 1 5 TYR HD2 H -0.076 -3.659 -4.850 1.00 . A A . 5 TYR HD2 1 1
3 310 1 1 5 TYR HE1 H -0.641 0.440 -7.512 1.00 . A A . 5 TYR HE1 1 1
3 311 1 1 5 TYR HE2 H -2.330 -2.925 -5.506 1.00 . A A . 5 TYR HE2 1 1
3 312 1 1 5 TYR HH H -3.107 -1.164 -7.769 1.00 . A A . 5 TYR HH 1 1
3 313 1 1 5 TYR N N 4.451 -3.418 -6.152 1.00 . A A . 5 TYR N 1 1
3 314 1 1 5 TYR O O 3.563 -1.596 -8.147 1.00 . A A . 5 TYR O 1 1
3 315 1 1 5 TYR OH O -2.882 -0.785 -6.916 1.00 . A A . 5 TYR OH 1 1
3 316 1 1 6 PRO C C 1.916 -5.524 -8.259 1.00 . A A . 6 PRO C 1 1
3 317 1 1 6 PRO CA C 1.113 -4.229 -8.295 1.00 . A A . 6 PRO CA 1 1
3 318 1 1 6 PRO CB C 0.068 -4.279 -9.413 1.00 . A A . 6 PRO CB 1 1
3 319 1 1 6 PRO CD C 1.612 -2.549 -9.992 1.00 . A A . 6 PRO CD 1 1
3 320 1 1 6 PRO CG C 0.721 -3.612 -10.573 1.00 . A A . 6 PRO CG 1 1
3 321 1 1 6 PRO HA H 0.620 -4.085 -7.345 1.00 . A A . 6 PRO HA 1 1
3 322 1 1 6 PRO HB2 H -0.177 -5.308 -9.634 1.00 . A A . 6 PRO HB2 1 1
3 323 1 1 6 PRO HB3 H -0.821 -3.751 -9.103 1.00 . A A . 6 PRO HB3 1 1
3 324 1 1 6 PRO HD2 H 2.505 -2.437 -10.590 1.00 . A A . 6 PRO HD2 1 1
3 325 1 1 6 PRO HD3 H 1.083 -1.610 -9.920 1.00 . A A . 6 PRO HD3 1 1
3 326 1 1 6 PRO HG2 H 1.306 -4.329 -11.128 1.00 . A A . 6 PRO HG2 1 1
3 327 1 1 6 PRO HG3 H -0.029 -3.165 -11.209 1.00 . A A . 6 PRO HG3 1 1
3 328 1 1 6 PRO N N 1.938 -3.071 -8.654 1.00 . A A . 6 PRO N 1 1
3 329 1 1 6 PRO O O 1.555 -6.470 -7.558 1.00 . A A . 6 PRO O 1 1
3 330 1 1 7 TRP C C 4.789 -6.796 -7.862 1.00 . A A . 7 TRP C 1 1
3 331 1 1 7 TRP CA C 3.861 -6.741 -9.070 1.00 . A A . 7 TRP CA 1 1
3 332 1 1 7 TRP CB C 4.682 -6.744 -10.361 1.00 . A A . 7 TRP CB 1 1
3 333 1 1 7 TRP CD1 C 4.164 -5.544 -12.566 1.00 . A A . 7 TRP CD1 1 1
3 334 1 1 7 TRP CD2 C 2.623 -7.050 -11.952 1.00 . A A . 7 TRP CD2 1 1
3 335 1 1 7 TRP CE2 C 2.222 -6.467 -13.170 1.00 . A A . 7 TRP CE2 1 1
3 336 1 1 7 TRP CE3 C 1.809 -8.028 -11.373 1.00 . A A . 7 TRP CE3 1 1
3 337 1 1 7 TRP CG C 3.868 -6.446 -11.583 1.00 . A A . 7 TRP CG 1 1
3 338 1 1 7 TRP CH2 C 0.266 -7.790 -13.227 1.00 . A A . 7 TRP CH2 1 1
3 339 1 1 7 TRP CZ2 C 1.043 -6.830 -13.816 1.00 . A A . 7 TRP CZ2 1 1
3 340 1 1 7 TRP CZ3 C 0.640 -8.387 -12.016 1.00 . A A . 7 TRP CZ3 1 1
3 341 1 1 7 TRP H H 3.242 -4.775 -9.554 1.00 . A A . 7 TRP H 1 1
3 342 1 1 7 TRP HA H 3.222 -7.612 -9.059 1.00 . A A . 7 TRP HA 1 1
3 343 1 1 7 TRP HB2 H 5.458 -5.997 -10.288 1.00 . A A . 7 TRP HB2 1 1
3 344 1 1 7 TRP HB3 H 5.134 -7.717 -10.489 1.00 . A A . 7 TRP HB3 1 1
3 345 1 1 7 TRP HD1 H 5.046 -4.923 -12.574 1.00 . A A . 7 TRP HD1 1 1
3 346 1 1 7 TRP HE1 H 3.163 -4.992 -14.328 1.00 . A A . 7 TRP HE1 1 1
3 347 1 1 7 TRP HE3 H 2.081 -8.499 -10.440 1.00 . A A . 7 TRP HE3 1 1
3 348 1 1 7 TRP HH2 H -0.656 -8.101 -13.693 1.00 . A A . 7 TRP HH2 1 1
3 349 1 1 7 TRP HZ2 H 0.742 -6.380 -14.751 1.00 . A A . 7 TRP HZ2 1 1
3 350 1 1 7 TRP HZ3 H -0.002 -9.140 -11.583 1.00 . A A . 7 TRP HZ3 1 1
3 351 1 1 7 TRP N N 3.006 -5.561 -9.017 1.00 . A A . 7 TRP N 1 1
3 352 1 1 7 TRP NE1 N 3.178 -5.551 -13.523 1.00 . A A . 7 TRP NE1 1 1
3 353 1 1 7 TRP O O 5.984 -6.521 -7.972 1.00 . A A . 7 TRP O 1 1
3 354 1 1 8 CYS C C 5.790 -8.555 -5.425 1.00 . A A . 8 CYS C 1 1
3 355 1 1 8 CYS CA C 5.011 -7.244 -5.480 1.00 . A A . 8 CYS CA 1 1
3 356 1 1 8 CYS CB C 4.093 -7.132 -4.261 1.00 . A A . 8 CYS CB 1 1
3 357 1 1 8 CYS H H 3.275 -7.361 -6.685 1.00 . A A . 8 CYS H 1 1
3 358 1 1 8 CYS HA H 5.712 -6.423 -5.469 1.00 . A A . 8 CYS HA 1 1
3 359 1 1 8 CYS HB2 H 3.123 -7.535 -4.513 1.00 . A A . 8 CYS HB2 1 1
3 360 1 1 8 CYS HB3 H 4.515 -7.704 -3.449 1.00 . A A . 8 CYS HB3 1 1
3 361 1 1 8 CYS N N 4.233 -7.153 -6.710 1.00 . A A . 8 CYS N 1 1
3 362 1 1 8 CYS O O 5.215 -9.636 -5.558 1.00 . A A . 8 CYS O 1 1
3 363 1 1 8 CYS SG S 3.847 -5.426 -3.671 1.00 . A A . 8 CYS SG 1 1
4 364 1 1 1 GLY C C 3.435 -0.705 -1.038 1.00 . A A . 1 GLY C 1 1
4 365 1 1 1 GLY CA C 2.053 -0.098 -1.171 1.00 . A A . 1 GLY CA 1 1
4 366 1 1 1 GLY H1 H 2.859 1.774 -0.596 1.00 . A A . 1 GLY H1 1 1
4 367 1 1 1 GLY HA2 H 1.367 -0.649 -0.545 1.00 . A A . 1 GLY HA2 1 1
4 368 1 1 1 GLY HA3 H 1.732 -0.182 -2.199 1.00 . A A . 1 GLY HA3 1 1
4 369 1 1 1 GLY N N 2.021 1.300 -0.784 1.00 . A A . 1 GLY N 1 1
4 370 1 1 1 GLY O O 4.404 -0.004 -0.746 1.00 . A A . 1 GLY O 1 1
4 371 1 1 2 CYS C C 5.628 -2.527 -2.420 1.00 . A A . 2 CYS C 1 1
4 372 1 1 2 CYS CA C 4.801 -2.717 -1.152 1.00 . A A . 2 CYS CA 1 1
4 373 1 1 2 CYS CB C 4.566 -4.208 -0.902 1.00 . A A . 2 CYS CB 1 1
4 374 1 1 2 CYS H H 2.719 -2.520 -1.481 1.00 . A A . 2 CYS H 1 1
4 375 1 1 2 CYS HA H 5.345 -2.303 -0.317 1.00 . A A . 2 CYS HA 1 1
4 376 1 1 2 CYS HB2 H 5.520 -4.703 -0.802 1.00 . A A . 2 CYS HB2 1 1
4 377 1 1 2 CYS HB3 H 4.006 -4.328 0.014 1.00 . A A . 2 CYS HB3 1 1
4 378 1 1 2 CYS N N 3.528 -2.014 -1.251 1.00 . A A . 2 CYS N 1 1
4 379 1 1 2 CYS O O 5.099 -2.571 -3.531 1.00 . A A . 2 CYS O 1 1
4 380 1 1 2 CYS SG S 3.643 -5.048 -2.229 1.00 . A A . 2 CYS SG 1 1
4 381 1 1 3 VAL C C 7.674 -3.236 -4.401 1.00 . A A . 3 VAL C 1 1
4 382 1 1 3 VAL CA C 7.829 -2.120 -3.375 1.00 . A A . 3 VAL CA 1 1
4 383 1 1 3 VAL CB C 9.299 -2.058 -2.917 1.00 . A A . 3 VAL CB 1 1
4 384 1 1 3 VAL CG1 C 10.223 -1.878 -4.111 1.00 . A A . 3 VAL CG1 1 1
4 385 1 1 3 VAL CG2 C 9.495 -0.939 -1.906 1.00 . A A . 3 VAL CG2 1 1
4 386 1 1 3 VAL H H 7.291 -2.291 -1.335 1.00 . A A . 3 VAL H 1 1
4 387 1 1 3 VAL HA H 7.580 -1.178 -3.842 1.00 . A A . 3 VAL HA 1 1
4 388 1 1 3 VAL HB H 9.545 -2.995 -2.438 1.00 . A A . 3 VAL HB 1 1
4 389 1 1 3 VAL HG11 H 9.905 -1.020 -4.686 1.00 . A A . 3 VAL HG11 1 1
4 390 1 1 3 VAL HG12 H 11.235 -1.725 -3.764 1.00 . A A . 3 VAL HG12 1 1
4 391 1 1 3 VAL HG13 H 10.185 -2.760 -4.733 1.00 . A A . 3 VAL HG13 1 1
4 392 1 1 3 VAL HG21 H 8.907 -1.144 -1.024 1.00 . A A . 3 VAL HG21 1 1
4 393 1 1 3 VAL HG22 H 10.539 -0.876 -1.636 1.00 . A A . 3 VAL HG22 1 1
4 394 1 1 3 VAL HG23 H 9.179 -0.002 -2.340 1.00 . A A . 3 VAL HG23 1 1
4 395 1 1 3 VAL N N 6.928 -2.315 -2.246 1.00 . A A . 3 VAL N 1 1
4 396 1 1 3 VAL O O 8.178 -4.336 -4.176 1.00 . A A . 3 VAL O 1 1
4 397 1 1 4 . C C 5.344 -3.808 -7.059 1.00 . A A . 4 DLE C 1 1
4 398 1 1 4 . CA C 6.779 -3.920 -6.542 1.00 . A A . 4 DLE CA 1 1
4 399 1 1 4 . CB C 7.840 -3.776 -7.635 1.00 . A A . 4 DLE CB 1 1
4 400 1 1 4 . CD1 C 8.203 -2.694 -9.884 1.00 . A A . 4 DLE CD1 1 1
4 401 1 1 4 . CD2 C 8.707 -1.411 -7.755 1.00 . A A . 4 DLE CD2 1 1
4 402 1 1 4 . CG C 7.819 -2.463 -8.421 1.00 . A A . 4 DLE CG 1 1
4 403 1 1 4 . H H 6.584 -2.038 -5.671 1.00 . A A . 4 DLE H 1 1
4 404 1 1 4 . HA H 6.909 -4.905 -6.094 1.00 . A A . 4 DLE HA 1 1
4 405 1 1 4 . HB2 H 7.722 -4.600 -8.338 1.00 . A A . 4 DLE HB2 1 1
4 406 1 1 4 . HB3 H 8.823 -3.886 -7.176 1.00 . A A . 4 DLE HB3 1 1
4 407 1 1 4 . HD11 H 9.289 -2.687 -9.980 1.00 . A A . 4 DLE HD11 1 1
4 408 1 1 4 . HD12 H 7.778 -1.903 -10.501 1.00 . A A . 4 DLE HD12 1 1
4 409 1 1 4 . HD13 H 7.816 -3.659 -10.213 1.00 . A A . 4 DLE HD13 1 1
4 410 1 1 4 . HD21 H 9.156 -0.777 -8.520 1.00 . A A . 4 DLE HD21 1 1
4 411 1 1 4 . HD22 H 9.493 -1.906 -7.185 1.00 . A A . 4 DLE HD22 1 1
4 412 1 1 4 . HD23 H 8.103 -0.798 -7.085 1.00 . A A . 4 DLE HD23 1 1
4 413 1 1 4 . HG H 6.800 -2.077 -8.413 1.00 . A A . 4 DLE HG 1 1
4 414 1 1 4 . N N 6.990 -2.934 -5.495 1.00 . A A . 4 DLE N 1 1
4 415 1 1 4 . O O 5.051 -4.055 -8.229 1.00 . A A . 4 DLE O 1 1
4 416 1 1 5 TYR C C 2.871 -2.578 -7.837 1.00 . A A . 5 TYR C 1 1
4 417 1 1 5 TYR CA C 3.038 -3.278 -6.491 1.00 . A A . 5 TYR CA 1 1
4 418 1 1 5 TYR CB C 2.313 -2.489 -5.400 1.00 . A A . 5 TYR CB 1 1
4 419 1 1 5 TYR CD1 C 0.749 -0.878 -6.555 1.00 . A A . 5 TYR CD1 1 1
4 420 1 1 5 TYR CD2 C -0.199 -2.751 -5.427 1.00 . A A . 5 TYR CD2 1 1
4 421 1 1 5 TYR CE1 C -0.514 -0.455 -6.924 1.00 . A A . 5 TYR CE1 1 1
4 422 1 1 5 TYR CE2 C -1.465 -2.336 -5.792 1.00 . A A . 5 TYR CE2 1 1
4 423 1 1 5 TYR CG C 0.929 -2.031 -5.802 1.00 . A A . 5 TYR CG 1 1
4 424 1 1 5 TYR CZ C -1.617 -1.188 -6.541 1.00 . A A . 5 TYR CZ 1 1
4 425 1 1 5 TYR H H 4.743 -3.246 -5.238 1.00 . A A . 5 TYR H 1 1
4 426 1 1 5 TYR HA H 2.605 -4.265 -6.556 1.00 . A A . 5 TYR HA 1 1
4 427 1 1 5 TYR HB2 H 2.214 -3.108 -4.522 1.00 . A A . 5 TYR HB2 1 1
4 428 1 1 5 TYR HB3 H 2.894 -1.612 -5.153 1.00 . A A . 5 TYR HB3 1 1
4 429 1 1 5 TYR HD1 H 1.615 -0.305 -6.855 1.00 . A A . 5 TYR HD1 1 1
4 430 1 1 5 TYR HD2 H -0.076 -3.650 -4.840 1.00 . A A . 5 TYR HD2 1 1
4 431 1 1 5 TYR HE1 H -0.633 0.444 -7.511 1.00 . A A . 5 TYR HE1 1 1
4 432 1 1 5 TYR HE2 H -2.329 -2.910 -5.492 1.00 . A A . 5 TYR HE2 1 1
4 433 1 1 5 TYR HH H -2.905 -0.633 -7.855 1.00 . A A . 5 TYR HH 1 1
4 434 1 1 5 TYR N N 4.448 -3.428 -6.154 1.00 . A A . 5 TYR N 1 1
4 435 1 1 5 TYR O O 3.561 -1.609 -8.152 1.00 . A A . 5 TYR O 1 1
4 436 1 1 5 TYR OH O -2.877 -0.771 -6.906 1.00 . A A . 5 TYR OH 1 1
4 437 1 1 6 PRO C C 1.901 -5.532 -8.248 1.00 . A A . 6 PRO C 1 1
4 438 1 1 6 PRO CA C 1.102 -4.233 -8.286 1.00 . A A . 6 PRO CA 1 1
4 439 1 1 6 PRO CB C 0.053 -4.283 -9.400 1.00 . A A . 6 PRO CB 1 1
4 440 1 1 6 PRO CD C 1.602 -2.560 -9.989 1.00 . A A . 6 PRO CD 1 1
4 441 1 1 6 PRO CG C 0.706 -3.621 -10.565 1.00 . A A . 6 PRO CG 1 1
4 442 1 1 6 PRO HA H 0.612 -4.086 -7.335 1.00 . A A . 6 PRO HA 1 1
4 443 1 1 6 PRO HB2 H -0.196 -5.312 -9.618 1.00 . A A . 6 PRO HB2 1 1
4 444 1 1 6 PRO HB3 H -0.833 -3.751 -9.090 1.00 . A A . 6 PRO HB3 1 1
4 445 1 1 6 PRO HD2 H 2.493 -2.452 -10.589 1.00 . A A . 6 PRO HD2 1 1
4 446 1 1 6 PRO HD3 H 1.076 -1.620 -9.918 1.00 . A A . 6 PRO HD3 1 1
4 447 1 1 6 PRO HG2 H 1.287 -4.343 -11.119 1.00 . A A . 6 PRO HG2 1 1
4 448 1 1 6 PRO HG3 H -0.044 -3.173 -11.200 1.00 . A A . 6 PRO HG3 1 1
4 449 1 1 6 PRO N N 1.930 -3.080 -8.650 1.00 . A A . 6 PRO N 1 1
4 450 1 1 6 PRO O O 1.538 -6.474 -7.544 1.00 . A A . 6 PRO O 1 1
4 451 1 1 7 TRP C C 4.770 -6.812 -7.856 1.00 . A A . 7 TRP C 1 1
4 452 1 1 7 TRP CA C 3.839 -6.757 -9.062 1.00 . A A . 7 TRP CA 1 1
4 453 1 1 7 TRP CB C 4.657 -6.766 -10.354 1.00 . A A . 7 TRP CB 1 1
4 454 1 1 7 TRP CD1 C 4.137 -5.571 -12.561 1.00 . A A . 7 TRP CD1 1 1
4 455 1 1 7 TRP CD2 C 2.593 -7.070 -11.940 1.00 . A A . 7 TRP CD2 1 1
4 456 1 1 7 TRP CE2 C 2.190 -6.489 -13.158 1.00 . A A . 7 TRP CE2 1 1
4 457 1 1 7 TRP CE3 C 1.777 -8.043 -11.356 1.00 . A A . 7 TRP CE3 1 1
4 458 1 1 7 TRP CG C 3.840 -6.469 -11.576 1.00 . A A . 7 TRP CG 1 1
4 459 1 1 7 TRP CH2 C 0.230 -7.806 -13.206 1.00 . A A . 7 TRP CH2 1 1
4 460 1 1 7 TRP CZ2 C 1.009 -6.850 -13.800 1.00 . A A . 7 TRP CZ2 1 1
4 461 1 1 7 TRP CZ3 C 0.605 -8.400 -11.994 1.00 . A A . 7 TRP CZ3 1 1
4 462 1 1 7 TRP H H 3.225 -4.790 -9.549 1.00 . A A . 7 TRP H 1 1
4 463 1 1 7 TRP HA H 3.197 -7.626 -9.046 1.00 . A A . 7 TRP HA 1 1
4 464 1 1 7 TRP HB2 H 5.436 -6.022 -10.285 1.00 . A A . 7 TRP HB2 1 1
4 465 1 1 7 TRP HB3 H 5.105 -7.741 -10.481 1.00 . A A . 7 TRP HB3 1 1
4 466 1 1 7 TRP HD1 H 5.021 -4.952 -12.574 1.00 . A A . 7 TRP HD1 1 1
4 467 1 1 7 TRP HE1 H 3.133 -5.021 -14.323 1.00 . A A . 7 TRP HE1 1 1
4 468 1 1 7 TRP HE3 H 2.050 -8.513 -10.422 1.00 . A A . 7 TRP HE3 1 1
4 469 1 1 7 TRP HH2 H -0.694 -8.115 -13.669 1.00 . A A . 7 TRP HH2 1 1
4 470 1 1 7 TRP HZ2 H 0.706 -6.401 -14.735 1.00 . A A . 7 TRP HZ2 1 1
4 471 1 1 7 TRP HZ3 H -0.038 -9.150 -11.558 1.00 . A A . 7 TRP HZ3 1 1
4 472 1 1 7 TRP N N 2.988 -5.574 -9.009 1.00 . A A . 7 TRP N 1 1
4 473 1 1 7 TRP NE1 N 3.148 -5.578 -13.516 1.00 . A A . 7 TRP NE1 1 1
4 474 1 1 7 TRP O O 5.966 -6.542 -7.970 1.00 . A A . 7 TRP O 1 1
4 475 1 1 8 CYS C C 5.771 -8.568 -5.416 1.00 . A A . 8 CYS C 1 1
4 476 1 1 8 CYS CA C 4.997 -7.255 -5.473 1.00 . A A . 8 CYS CA 1 1
4 477 1 1 8 CYS CB C 4.082 -7.135 -4.252 1.00 . A A . 8 CYS CB 1 1
4 478 1 1 8 CYS H H 3.257 -7.368 -6.673 1.00 . A A . 8 CYS H 1 1
4 479 1 1 8 CYS HA H 5.700 -6.436 -5.466 1.00 . A A . 8 CYS HA 1 1
4 480 1 1 8 CYS HB2 H 3.110 -7.536 -4.500 1.00 . A A . 8 CYS HB2 1 1
4 481 1 1 8 CYS HB3 H 4.504 -7.707 -3.439 1.00 . A A . 8 CYS HB3 1 1
4 482 1 1 8 CYS N N 4.216 -7.164 -6.701 1.00 . A A . 8 CYS N 1 1
4 483 1 1 8 CYS O O 5.383 -9.556 -6.041 1.00 . A A . 8 CYS O 1 1
4 484 1 1 8 CYS SG S 3.844 -5.427 -3.666 1.00 . A A . 8 CYS SG 1 1
5 485 1 1 1 GLY C C 3.419 -0.704 -1.034 1.00 . A A . 1 GLY C 1 1
5 486 1 1 1 GLY CA C 2.038 -0.095 -1.176 1.00 . A A . 1 GLY CA 1 1
5 487 1 1 1 GLY H1 H 1.155 1.789 -0.782 1.00 . A A . 1 GLY H1 1 1
5 488 1 1 1 GLY HA2 H 1.331 -0.701 -0.630 1.00 . A A . 1 GLY HA2 1 1
5 489 1 1 1 GLY HA3 H 1.764 -0.093 -2.221 1.00 . A A . 1 GLY HA3 1 1
5 490 1 1 1 GLY N N 1.977 1.265 -0.674 1.00 . A A . 1 GLY N 1 1
5 491 1 1 1 GLY O O 4.387 -0.003 -0.737 1.00 . A A . 1 GLY O 1 1
5 492 1 1 2 CYS C C 5.618 -2.529 -2.400 1.00 . A A . 2 CYS C 1 1
5 493 1 1 2 CYS CA C 4.783 -2.717 -1.137 1.00 . A A . 2 CYS CA 1 1
5 494 1 1 2 CYS CB C 4.544 -4.208 -0.887 1.00 . A A . 2 CYS CB 1 1
5 495 1 1 2 CYS H H 2.704 -2.518 -1.479 1.00 . A A . 2 CYS H 1 1
5 496 1 1 2 CYS HA H 5.322 -2.302 -0.299 1.00 . A A . 2 CYS HA 1 1
5 497 1 1 2 CYS HB2 H 5.497 -4.701 -0.762 1.00 . A A . 2 CYS HB2 1 1
5 498 1 1 2 CYS HB3 H 3.963 -4.325 0.015 1.00 . A A . 2 CYS HB3 1 1
5 499 1 1 2 CYS N N 3.511 -2.013 -1.245 1.00 . A A . 2 CYS N 1 1
5 500 1 1 2 CYS O O 5.097 -2.572 -3.515 1.00 . A A . 2 CYS O 1 1
5 501 1 1 2 CYS SG S 3.657 -5.055 -2.234 1.00 . A A . 2 CYS SG 1 1
5 502 1 1 3 VAL C C 7.676 -3.245 -4.368 1.00 . A A . 3 VAL C 1 1
5 503 1 1 3 VAL CA C 7.827 -2.128 -3.342 1.00 . A A . 3 VAL CA 1 1
5 504 1 1 3 VAL CB C 9.293 -2.069 -2.875 1.00 . A A . 3 VAL CB 1 1
5 505 1 1 3 VAL CG1 C 10.225 -1.884 -4.062 1.00 . A A . 3 VAL CG1 1 1
5 506 1 1 3 VAL CG2 C 9.484 -0.954 -1.857 1.00 . A A . 3 VAL CG2 1 1
5 507 1 1 3 VAL H H 7.275 -2.297 -1.305 1.00 . A A . 3 VAL H 1 1
5 508 1 1 3 VAL HA H 7.582 -1.185 -3.811 1.00 . A A . 3 VAL HA 1 1
5 509 1 1 3 VAL HB H 9.536 -3.008 -2.398 1.00 . A A . 3 VAL HB 1 1
5 510 1 1 3 VAL HG11 H 9.653 -1.564 -4.922 1.00 . A A . 3 VAL HG11 1 1
5 511 1 1 3 VAL HG12 H 10.968 -1.136 -3.824 1.00 . A A . 3 VAL HG12 1 1
5 512 1 1 3 VAL HG13 H 10.715 -2.820 -4.285 1.00 . A A . 3 VAL HG13 1 1
5 513 1 1 3 VAL HG21 H 9.383 -1.357 -0.860 1.00 . A A . 3 VAL HG21 1 1
5 514 1 1 3 VAL HG22 H 10.468 -0.525 -1.974 1.00 . A A . 3 VAL HG22 1 1
5 515 1 1 3 VAL HG23 H 8.737 -0.191 -2.015 1.00 . A A . 3 VAL HG23 1 1
5 516 1 1 3 VAL N N 6.918 -2.321 -2.218 1.00 . A A . 3 VAL N 1 1
5 517 1 1 3 VAL O O 8.175 -4.345 -4.139 1.00 . A A . 3 VAL O 1 1
5 518 1 1 4 . C C 5.361 -3.813 -7.041 1.00 . A A . 4 DLE C 1 1
5 519 1 1 4 . CA C 6.793 -3.927 -6.514 1.00 . A A . 4 DLE CA 1 1
5 520 1 1 4 . CB C 7.861 -3.786 -7.601 1.00 . A A . 4 DLE CB 1 1
5 521 1 1 4 . CD1 C 7.665 -2.793 -9.911 1.00 . A A . 4 DLE CD1 1 1
5 522 1 1 4 . CD2 C 9.043 -1.622 -8.132 1.00 . A A . 4 DLE CD2 1 1
5 523 1 1 4 . CG C 7.818 -2.493 -8.418 1.00 . A A . 4 DLE CG 1 1
5 524 1 1 4 . H H 6.597 -2.044 -5.645 1.00 . A A . 4 DLE H 1 1
5 525 1 1 4 . HA H 6.918 -4.912 -6.065 1.00 . A A . 4 DLE HA 1 1
5 526 1 1 4 . HB2 H 7.768 -4.628 -8.286 1.00 . A A . 4 DLE HB2 1 1
5 527 1 1 4 . HB3 H 8.841 -3.863 -7.131 1.00 . A A . 4 DLE HB3 1 1
5 528 1 1 4 . HD11 H 8.052 -3.790 -10.123 1.00 . A A . 4 DLE HD11 1 1
5 529 1 1 4 . HD12 H 8.223 -2.056 -10.489 1.00 . A A . 4 DLE HD12 1 1
5 530 1 1 4 . HD13 H 6.611 -2.747 -10.185 1.00 . A A . 4 DLE HD13 1 1
5 531 1 1 4 . HD21 H 9.358 -1.767 -7.098 1.00 . A A . 4 DLE HD21 1 1
5 532 1 1 4 . HD22 H 8.790 -0.574 -8.291 1.00 . A A . 4 DLE HD22 1 1
5 533 1 1 4 . HD23 H 9.855 -1.906 -8.801 1.00 . A A . 4 DLE HD23 1 1
5 534 1 1 4 . HG H 6.940 -1.924 -8.113 1.00 . A A . 4 DLE HG 1 1
5 535 1 1 4 . N N 6.999 -2.942 -5.467 1.00 . A A . 4 DLE N 1 1
5 536 1 1 4 . O O 5.075 -4.060 -8.213 1.00 . A A . 4 DLE O 1 1
5 537 1 1 5 TYR C C 2.895 -2.578 -7.834 1.00 . A A . 5 TYR C 1 1
5 538 1 1 5 TYR CA C 3.053 -3.277 -6.487 1.00 . A A . 5 TYR CA 1 1
5 539 1 1 5 TYR CB C 2.322 -2.485 -5.401 1.00 . A A . 5 TYR CB 1 1
5 540 1 1 5 TYR CD1 C 0.769 -0.872 -6.568 1.00 . A A . 5 TYR CD1 1 1
5 541 1 1 5 TYR CD2 C -0.189 -2.742 -5.443 1.00 . A A . 5 TYR CD2 1 1
5 542 1 1 5 TYR CE1 C -0.490 -0.447 -6.945 1.00 . A A . 5 TYR CE1 1 1
5 543 1 1 5 TYR CE2 C -1.452 -2.326 -5.817 1.00 . A A . 5 TYR CE2 1 1
5 544 1 1 5 TYR CG C 0.942 -2.025 -5.812 1.00 . A A . 5 TYR CG 1 1
5 545 1 1 5 TYR CZ C -1.598 -1.178 -6.567 1.00 . A A . 5 TYR CZ 1 1
5 546 1 1 5 TYR H H 4.750 -3.248 -5.223 1.00 . A A . 5 TYR H 1 1
5 547 1 1 5 TYR HA H 2.618 -4.264 -6.554 1.00 . A A . 5 TYR HA 1 1
5 548 1 1 5 TYR HB2 H 2.218 -3.104 -4.523 1.00 . A A . 5 TYR HB2 1 1
5 549 1 1 5 TYR HB3 H 2.904 -1.610 -5.151 1.00 . A A . 5 TYR HB3 1 1
5 550 1 1 5 TYR HD1 H 1.638 -0.302 -6.862 1.00 . A A . 5 TYR HD1 1 1
5 551 1 1 5 TYR HD2 H -0.072 -3.641 -4.855 1.00 . A A . 5 TYR HD2 1 1
5 552 1 1 5 TYR HE1 H -0.605 0.452 -7.532 1.00 . A A . 5 TYR HE1 1 1
5 553 1 1 5 TYR HE2 H -2.320 -2.898 -5.521 1.00 . A A . 5 TYR HE2 1 1
5 554 1 1 5 TYR HH H -2.925 0.191 -6.817 1.00 . A A . 5 TYR HH 1 1
5 555 1 1 5 TYR N N 4.461 -3.430 -6.142 1.00 . A A . 5 TYR N 1 1
5 556 1 1 5 TYR O O 3.590 -1.611 -8.146 1.00 . A A . 5 TYR O 1 1
5 557 1 1 5 TYR OH O -2.854 -0.759 -6.940 1.00 . A A . 5 TYR OH 1 1
5 558 1 1 6 PRO C C 1.922 -5.530 -8.250 1.00 . A A . 6 PRO C 1 1
5 559 1 1 6 PRO CA C 1.126 -4.230 -8.294 1.00 . A A . 6 PRO CA 1 1
5 560 1 1 6 PRO CB C 0.084 -4.279 -9.414 1.00 . A A . 6 PRO CB 1 1
5 561 1 1 6 PRO CD C 1.640 -2.559 -9.994 1.00 . A A . 6 PRO CD 1 1
5 562 1 1 6 PRO CG C 0.745 -3.619 -10.575 1.00 . A A . 6 PRO CG 1 1
5 563 1 1 6 PRO HA H 0.630 -4.081 -7.345 1.00 . A A . 6 PRO HA 1 1
5 564 1 1 6 PRO HB2 H -0.166 -5.307 -9.633 1.00 . A A . 6 PRO HB2 1 1
5 565 1 1 6 PRO HB3 H -0.803 -3.744 -9.109 1.00 . A A . 6 PRO HB3 1 1
5 566 1 1 6 PRO HD2 H 2.535 -2.454 -10.589 1.00 . A A . 6 PRO HD2 1 1
5 567 1 1 6 PRO HD3 H 1.116 -1.617 -9.928 1.00 . A A . 6 PRO HD3 1 1
5 568 1 1 6 PRO HG2 H 1.328 -4.342 -11.125 1.00 . A A . 6 PRO HG2 1 1
5 569 1 1 6 PRO HG3 H 0.000 -3.170 -11.215 1.00 . A A . 6 PRO HG3 1 1
5 570 1 1 6 PRO N N 1.958 -3.079 -8.653 1.00 . A A . 6 PRO N 1 1
5 571 1 1 6 PRO O O 1.553 -6.471 -7.547 1.00 . A A . 6 PRO O 1 1
5 572 1 1 7 TRP C C 4.786 -6.816 -7.838 1.00 . A A . 7 TRP C 1 1
5 573 1 1 7 TRP CA C 3.862 -6.760 -9.050 1.00 . A A . 7 TRP CA 1 1
5 574 1 1 7 TRP CB C 4.688 -6.772 -10.337 1.00 . A A . 7 TRP CB 1 1
5 575 1 1 7 TRP CD1 C 4.184 -5.577 -12.548 1.00 . A A . 7 TRP CD1 1 1
5 576 1 1 7 TRP CD2 C 2.633 -7.073 -11.935 1.00 . A A . 7 TRP CD2 1 1
5 577 1 1 7 TRP CE2 C 2.240 -6.492 -13.157 1.00 . A A . 7 TRP CE2 1 1
5 578 1 1 7 TRP CE3 C 1.813 -8.044 -11.356 1.00 . A A . 7 TRP CE3 1 1
5 579 1 1 7 TRP CG C 3.880 -6.474 -11.564 1.00 . A A . 7 TRP CG 1 1
5 580 1 1 7 TRP CH2 C 0.277 -7.804 -13.216 1.00 . A A . 7 TRP CH2 1 1
5 581 1 1 7 TRP CZ2 C 1.062 -6.851 -13.806 1.00 . A A . 7 TRP CZ2 1 1
5 582 1 1 7 TRP CZ3 C 0.643 -8.399 -12.001 1.00 . A A . 7 TRP CZ3 1 1
5 583 1 1 7 TRP H H 3.256 -4.792 -9.543 1.00 . A A . 7 TRP H 1 1
5 584 1 1 7 TRP HA H 3.219 -7.628 -9.038 1.00 . A A . 7 TRP HA 1 1
5 585 1 1 7 TRP HB2 H 5.468 -6.029 -10.264 1.00 . A A . 7 TRP HB2 1 1
5 586 1 1 7 TRP HB3 H 5.135 -7.748 -10.461 1.00 . A A . 7 TRP HB3 1 1
5 587 1 1 7 TRP HD1 H 5.070 -4.960 -12.556 1.00 . A A . 7 TRP HD1 1 1
5 588 1 1 7 TRP HE1 H 3.193 -5.026 -14.316 1.00 . A A . 7 TRP HE1 1 1
5 589 1 1 7 TRP HE3 H 2.078 -8.514 -10.420 1.00 . A A . 7 TRP HE3 1 1
5 590 1 1 7 TRP HH2 H -0.645 -8.112 -13.685 1.00 . A A . 7 TRP HH2 1 1
5 591 1 1 7 TRP HZ2 H 0.766 -6.402 -14.743 1.00 . A A . 7 TRP HZ2 1 1
5 592 1 1 7 TRP HZ3 H -0.004 -9.147 -11.568 1.00 . A A . 7 TRP HZ3 1 1
5 593 1 1 7 TRP N N 3.014 -5.575 -9.004 1.00 . A A . 7 TRP N 1 1
5 594 1 1 7 TRP NE1 N 3.202 -5.583 -13.509 1.00 . A A . 7 TRP NE1 1 1
5 595 1 1 7 TRP O O 5.983 -6.548 -7.945 1.00 . A A . 7 TRP O 1 1
5 596 1 1 8 CYS C C 5.768 -8.572 -5.391 1.00 . A A . 8 CYS C 1 1
5 597 1 1 8 CYS CA C 4.997 -7.257 -5.454 1.00 . A A . 8 CYS CA 1 1
5 598 1 1 8 CYS CB C 4.075 -7.135 -4.239 1.00 . A A . 8 CYS CB 1 1
5 599 1 1 8 CYS H H 3.264 -7.368 -6.664 1.00 . A A . 8 CYS H 1 1
5 600 1 1 8 CYS HA H 5.702 -6.440 -5.443 1.00 . A A . 8 CYS HA 1 1
5 601 1 1 8 CYS HB2 H 3.103 -7.533 -4.492 1.00 . A A . 8 CYS HB2 1 1
5 602 1 1 8 CYS HB3 H 4.491 -7.707 -3.422 1.00 . A A . 8 CYS HB3 1 1
5 603 1 1 8 CYS N N 4.224 -7.166 -6.686 1.00 . A A . 8 CYS N 1 1
5 604 1 1 8 CYS O O 6.430 -8.961 -6.354 1.00 . A A . 8 CYS O 1 1
5 605 1 1 8 CYS SG S 3.837 -5.426 -3.655 1.00 . A A . 8 CYS SG 1 1
6 606 1 1 1 GLY C C 3.445 -0.634 -1.057 1.00 . A A . 1 GLY C 1 1
6 607 1 1 1 GLY CA C 2.069 -0.015 -1.202 1.00 . A A . 1 GLY CA 1 1
6 608 1 1 1 GLY H1 H 1.572 0.711 0.724 1.00 . A A . 1 GLY H1 1 1
6 609 1 1 1 GLY HA2 H 1.498 -0.594 -1.912 1.00 . A A . 1 GLY HA2 1 1
6 610 1 1 1 GLY HA3 H 2.178 0.992 -1.578 1.00 . A A . 1 GLY HA3 1 1
6 611 1 1 1 GLY N N 1.346 0.031 0.056 1.00 . A A . 1 GLY N 1 1
6 612 1 1 1 GLY O O 4.419 0.060 -0.762 1.00 . A A . 1 GLY O 1 1
6 613 1 1 2 CYS C C 5.630 -2.482 -2.416 1.00 . A A . 2 CYS C 1 1
6 614 1 1 2 CYS CA C 4.793 -2.659 -1.152 1.00 . A A . 2 CYS CA 1 1
6 615 1 1 2 CYS CB C 4.543 -4.146 -0.896 1.00 . A A . 2 CYS CB 1 1
6 616 1 1 2 CYS H H 2.716 -2.444 -1.496 1.00 . A A . 2 CYS H 1 1
6 617 1 1 2 CYS HA H 5.335 -2.245 -0.315 1.00 . A A . 2 CYS HA 1 1
6 618 1 1 2 CYS HB2 H 5.492 -4.649 -0.786 1.00 . A A . 2 CYS HB2 1 1
6 619 1 1 2 CYS HB3 H 3.974 -4.256 0.015 1.00 . A A . 2 CYS HB3 1 1
6 620 1 1 2 CYS N N 3.527 -1.944 -1.263 1.00 . A A . 2 CYS N 1 1
6 621 1 1 2 CYS O O 5.109 -2.529 -3.530 1.00 . A A . 2 CYS O 1 1
6 622 1 1 2 CYS SG S 3.625 -4.985 -2.228 1.00 . A A . 2 CYS SG 1 1
6 623 1 1 3 VAL C C 7.686 -3.220 -4.378 1.00 . A A . 3 VAL C 1 1
6 624 1 1 3 VAL CA C 7.841 -2.097 -3.358 1.00 . A A . 3 VAL CA 1 1
6 625 1 1 3 VAL CB C 9.307 -2.042 -2.890 1.00 . A A . 3 VAL CB 1 1
6 626 1 1 3 VAL CG1 C 10.238 -1.826 -4.074 1.00 . A A . 3 VAL CG1 1 1
6 627 1 1 3 VAL CG2 C 9.493 -0.948 -1.849 1.00 . A A . 3 VAL CG2 1 1
6 628 1 1 3 VAL H H 7.287 -2.251 -1.321 1.00 . A A . 3 VAL H 1 1
6 629 1 1 3 VAL HA H 7.601 -1.157 -3.833 1.00 . A A . 3 VAL HA 1 1
6 630 1 1 3 VAL HB H 9.555 -2.989 -2.435 1.00 . A A . 3 VAL HB 1 1
6 631 1 1 3 VAL HG11 H 10.297 -2.735 -4.655 1.00 . A A . 3 VAL HG11 1 1
6 632 1 1 3 VAL HG12 H 9.856 -1.026 -4.692 1.00 . A A . 3 VAL HG12 1 1
6 633 1 1 3 VAL HG13 H 11.223 -1.565 -3.715 1.00 . A A . 3 VAL HG13 1 1
6 634 1 1 3 VAL HG21 H 9.456 -1.382 -0.862 1.00 . A A . 3 VAL HG21 1 1
6 635 1 1 3 VAL HG22 H 10.451 -0.470 -1.996 1.00 . A A . 3 VAL HG22 1 1
6 636 1 1 3 VAL HG23 H 8.706 -0.216 -1.951 1.00 . A A . 3 VAL HG23 1 1
6 637 1 1 3 VAL N N 6.931 -2.279 -2.234 1.00 . A A . 3 VAL N 1 1
6 638 1 1 3 VAL O O 8.182 -4.320 -4.142 1.00 . A A . 3 VAL O 1 1
6 639 1 1 4 . C C 5.369 -3.795 -7.047 1.00 . A A . 4 DLE C 1 1
6 640 1 1 4 . CA C 6.800 -3.912 -6.519 1.00 . A A . 4 DLE CA 1 1
6 641 1 1 4 . CB C 7.869 -3.783 -7.606 1.00 . A A . 4 DLE CB 1 1
6 642 1 1 4 . CD1 C 7.280 -2.555 -9.728 1.00 . A A . 4 DLE CD1 1 1
6 643 1 1 4 . CD2 C 9.349 -1.907 -8.412 1.00 . A A . 4 DLE CD2 1 1
6 644 1 1 4 . CG C 7.918 -2.443 -8.342 1.00 . A A . 4 DLE CG 1 1
6 645 1 1 4 . H H 6.610 -2.023 -5.662 1.00 . A A . 4 DLE H 1 1
6 646 1 1 4 . HA H 6.921 -4.895 -6.064 1.00 . A A . 4 DLE HA 1 1
6 647 1 1 4 . HB2 H 7.711 -4.573 -8.340 1.00 . A A . 4 DLE HB2 1 1
6 648 1 1 4 . HB3 H 8.844 -3.961 -7.151 1.00 . A A . 4 DLE HB3 1 1
6 649 1 1 4 . HD11 H 8.036 -2.371 -10.492 1.00 . A A . 4 DLE HD11 1 1
6 650 1 1 4 . HD12 H 6.482 -1.819 -9.822 1.00 . A A . 4 DLE HD12 1 1
6 651 1 1 4 . HD13 H 6.869 -3.556 -9.859 1.00 . A A . 4 DLE HD13 1 1
6 652 1 1 4 . HD21 H 9.327 -0.834 -8.606 1.00 . A A . 4 DLE HD21 1 1
6 653 1 1 4 . HD22 H 9.887 -2.410 -9.215 1.00 . A A . 4 DLE HD22 1 1
6 654 1 1 4 . HD23 H 9.854 -2.094 -7.464 1.00 . A A . 4 DLE HD23 1 1
6 655 1 1 4 . HG H 7.331 -1.720 -7.776 1.00 . A A . 4 DLE HG 1 1
6 656 1 1 4 . N N 7.010 -2.921 -5.478 1.00 . A A . 4 DLE N 1 1
6 657 1 1 4 . O O 5.083 -4.047 -8.218 1.00 . A A . 4 DLE O 1 1
6 658 1 1 5 TYR C C 2.909 -2.556 -7.849 1.00 . A A . 5 TYR C 1 1
6 659 1 1 5 TYR CA C 3.062 -3.248 -6.499 1.00 . A A . 5 TYR CA 1 1
6 660 1 1 5 TYR CB C 2.335 -2.448 -5.417 1.00 . A A . 5 TYR CB 1 1
6 661 1 1 5 TYR CD1 C 0.785 -0.838 -6.594 1.00 . A A . 5 TYR CD1 1 1
6 662 1 1 5 TYR CD2 C -0.178 -2.699 -5.458 1.00 . A A . 5 TYR CD2 1 1
6 663 1 1 5 TYR CE1 C -0.473 -0.413 -6.973 1.00 . A A . 5 TYR CE1 1 1
6 664 1 1 5 TYR CE2 C -1.440 -2.282 -5.834 1.00 . A A . 5 TYR CE2 1 1
6 665 1 1 5 TYR CG C 0.955 -1.986 -5.830 1.00 . A A . 5 TYR CG 1 1
6 666 1 1 5 TYR CZ C -1.583 -1.138 -6.591 1.00 . A A . 5 TYR CZ 1 1
6 667 1 1 5 TYR H H 4.759 -3.219 -5.233 1.00 . A A . 5 TYR H 1 1
6 668 1 1 5 TYR HA H 2.624 -4.233 -6.560 1.00 . A A . 5 TYR HA 1 1
6 669 1 1 5 TYR HB2 H 2.228 -3.061 -4.536 1.00 . A A . 5 TYR HB2 1 1
6 670 1 1 5 TYR HB3 H 2.918 -1.572 -5.172 1.00 . A A . 5 TYR HB3 1 1
6 671 1 1 5 TYR HD1 H 1.656 -0.273 -6.892 1.00 . A A . 5 TYR HD1 1 1
6 672 1 1 5 TYR HD2 H -0.063 -3.595 -4.865 1.00 . A A . 5 TYR HD2 1 1
6 673 1 1 5 TYR HE1 H -0.585 0.483 -7.567 1.00 . A A . 5 TYR HE1 1 1
6 674 1 1 5 TYR HE2 H -2.309 -2.849 -5.534 1.00 . A A . 5 TYR HE2 1 1
6 675 1 1 5 TYR HH H -2.938 -0.822 -7.917 1.00 . A A . 5 TYR HH 1 1
6 676 1 1 5 TYR N N 4.470 -3.405 -6.151 1.00 . A A . 5 TYR N 1 1
6 677 1 1 5 TYR O O 3.608 -1.592 -8.165 1.00 . A A . 5 TYR O 1 1
6 678 1 1 5 TYR OH O -2.838 -0.718 -6.968 1.00 . A A . 5 TYR OH 1 1
6 679 1 1 6 PRO C C 1.925 -5.506 -8.250 1.00 . A A . 6 PRO C 1 1
6 680 1 1 6 PRO CA C 1.134 -4.204 -8.302 1.00 . A A . 6 PRO CA 1 1
6 681 1 1 6 PRO CB C 0.093 -4.254 -9.423 1.00 . A A . 6 PRO CB 1 1
6 682 1 1 6 PRO CD C 1.656 -2.544 -10.011 1.00 . A A . 6 PRO CD 1 1
6 683 1 1 6 PRO CG C 0.758 -3.603 -10.586 1.00 . A A . 6 PRO CG 1 1
6 684 1 1 6 PRO HA H 0.638 -4.047 -7.355 1.00 . A A . 6 PRO HA 1 1
6 685 1 1 6 PRO HB2 H -0.160 -5.283 -9.636 1.00 . A A . 6 PRO HB2 1 1
6 686 1 1 6 PRO HB3 H -0.792 -3.715 -9.122 1.00 . A A . 6 PRO HB3 1 1
6 687 1 1 6 PRO HD2 H 2.552 -2.445 -10.605 1.00 . A A . 6 PRO HD2 1 1
6 688 1 1 6 PRO HD3 H 1.135 -1.599 -9.949 1.00 . A A . 6 PRO HD3 1 1
6 689 1 1 6 PRO HG2 H 1.338 -4.331 -11.132 1.00 . A A . 6 PRO HG2 1 1
6 690 1 1 6 PRO HG3 H 0.015 -3.155 -11.230 1.00 . A A . 6 PRO HG3 1 1
6 691 1 1 6 PRO N N 1.971 -3.057 -8.667 1.00 . A A . 6 PRO N 1 1
6 692 1 1 6 PRO O O 1.552 -6.442 -7.542 1.00 . A A . 6 PRO O 1 1
6 693 1 1 7 TRP C C 4.784 -6.801 -7.830 1.00 . A A . 7 TRP C 1 1
6 694 1 1 7 TRP CA C 3.862 -6.748 -9.043 1.00 . A A . 7 TRP CA 1 1
6 695 1 1 7 TRP CB C 4.688 -6.769 -10.329 1.00 . A A . 7 TRP CB 1 1
6 696 1 1 7 TRP CD1 C 4.190 -5.585 -12.547 1.00 . A A . 7 TRP CD1 1 1
6 697 1 1 7 TRP CD2 C 2.633 -7.071 -11.927 1.00 . A A . 7 TRP CD2 1 1
6 698 1 1 7 TRP CE2 C 2.243 -6.495 -13.152 1.00 . A A . 7 TRP CE2 1 1
6 699 1 1 7 TRP CE3 C 1.809 -8.036 -11.343 1.00 . A A . 7 TRP CE3 1 1
6 700 1 1 7 TRP CG C 3.882 -6.475 -11.558 1.00 . A A . 7 TRP CG 1 1
6 701 1 1 7 TRP CH2 C 0.275 -7.801 -13.205 1.00 . A A . 7 TRP CH2 1 1
6 702 1 1 7 TRP CZ2 C 1.064 -6.854 -13.800 1.00 . A A . 7 TRP CZ2 1 1
6 703 1 1 7 TRP CZ3 C 0.638 -8.390 -11.987 1.00 . A A . 7 TRP CZ3 1 1
6 704 1 1 7 TRP H H 3.263 -4.780 -9.546 1.00 . A A . 7 TRP H 1 1
6 705 1 1 7 TRP HA H 3.215 -7.613 -9.026 1.00 . A A . 7 TRP HA 1 1
6 706 1 1 7 TRP HB2 H 5.471 -6.029 -10.259 1.00 . A A . 7 TRP HB2 1 1
6 707 1 1 7 TRP HB3 H 5.132 -7.748 -10.447 1.00 . A A . 7 TRP HB3 1 1
6 708 1 1 7 TRP HD1 H 5.078 -4.971 -12.557 1.00 . A A . 7 TRP HD1 1 1
6 709 1 1 7 TRP HE1 H 3.202 -5.040 -14.319 1.00 . A A . 7 TRP HE1 1 1
6 710 1 1 7 TRP HE3 H 2.072 -8.502 -10.405 1.00 . A A . 7 TRP HE3 1 1
6 711 1 1 7 TRP HH2 H -0.648 -8.108 -13.673 1.00 . A A . 7 TRP HH2 1 1
6 712 1 1 7 TRP HZ2 H 0.770 -6.409 -14.740 1.00 . A A . 7 TRP HZ2 1 1
6 713 1 1 7 TRP HZ3 H -0.012 -9.134 -11.551 1.00 . A A . 7 TRP HZ3 1 1
6 714 1 1 7 TRP N N 3.017 -5.559 -9.003 1.00 . A A . 7 TRP N 1 1
6 715 1 1 7 TRP NE1 N 3.209 -5.592 -13.508 1.00 . A A . 7 TRP NE1 1 1
6 716 1 1 7 TRP O O 5.982 -6.537 -7.937 1.00 . A A . 7 TRP O 1 1
6 717 1 1 8 CYS C C 5.759 -8.547 -5.373 1.00 . A A . 8 CYS C 1 1
6 718 1 1 8 CYS CA C 4.992 -7.230 -5.443 1.00 . A A . 8 CYS CA 1 1
6 719 1 1 8 CYS CB C 4.070 -7.099 -4.229 1.00 . A A . 8 CYS CB 1 1
6 720 1 1 8 CYS H H 3.260 -7.342 -6.654 1.00 . A A . 8 CYS H 1 1
6 721 1 1 8 CYS HA H 5.700 -6.415 -5.436 1.00 . A A . 8 CYS HA 1 1
6 722 1 1 8 CYS HB2 H 3.097 -7.495 -4.482 1.00 . A A . 8 CYS HB2 1 1
6 723 1 1 8 CYS HB3 H 4.483 -7.668 -3.410 1.00 . A A . 8 CYS HB3 1 1
6 724 1 1 8 CYS N N 4.220 -7.143 -6.677 1.00 . A A . 8 CYS N 1 1
6 725 1 1 8 CYS O O 5.377 -9.533 -6.004 1.00 . A A . 8 CYS O 1 1
6 726 1 1 8 CYS SG S 3.836 -5.386 -3.655 1.00 . A A . 8 CYS SG 1 1
7 727 1 1 1 GLY C C 3.406 -0.679 -1.033 1.00 . A A . 1 GLY C 1 1
7 728 1 1 1 GLY CA C 2.029 -0.064 -1.185 1.00 . A A . 1 GLY CA 1 1
7 729 1 1 1 GLY H1 H 2.758 1.774 -0.428 1.00 . A A . 1 GLY H1 1 1
7 730 1 1 1 GLY HA2 H 1.304 -0.709 -0.711 1.00 . A A . 1 GLY HA2 1 1
7 731 1 1 1 GLY HA3 H 1.795 0.012 -2.237 1.00 . A A . 1 GLY HA3 1 1
7 732 1 1 1 GLY N N 1.942 1.256 -0.589 1.00 . A A . 1 GLY N 1 1
7 733 1 1 1 GLY O O 4.375 0.018 -0.731 1.00 . A A . 1 GLY O 1 1
7 734 1 1 2 CYS C C 5.606 -2.515 -2.383 1.00 . A A . 2 CYS C 1 1
7 735 1 1 2 CYS CA C 4.763 -2.698 -1.125 1.00 . A A . 2 CYS CA 1 1
7 736 1 1 2 CYS CB C 4.516 -4.187 -0.874 1.00 . A A . 2 CYS CB 1 1
7 737 1 1 2 CYS H H 2.686 -2.490 -1.480 1.00 . A A . 2 CYS H 1 1
7 738 1 1 2 CYS HA H 5.298 -2.284 -0.284 1.00 . A A . 2 CYS HA 1 1
7 739 1 1 2 CYS HB2 H 5.467 -4.688 -0.770 1.00 . A A . 2 CYS HB2 1 1
7 740 1 1 2 CYS HB3 H 3.952 -4.302 0.039 1.00 . A A . 2 CYS HB3 1 1
7 741 1 1 2 CYS N N 3.494 -1.988 -1.242 1.00 . A A . 2 CYS N 1 1
7 742 1 1 2 CYS O O 5.091 -2.555 -3.500 1.00 . A A . 2 CYS O 1 1
7 743 1 1 2 CYS SG S 3.595 -5.022 -2.205 1.00 . A A . 2 CYS SG 1 1
7 744 1 1 3 VAL C C 7.671 -3.244 -4.339 1.00 . A A . 3 VAL C 1 1
7 745 1 1 3 VAL CA C 7.823 -2.127 -3.312 1.00 . A A . 3 VAL CA 1 1
7 746 1 1 3 VAL CB C 9.287 -2.078 -2.836 1.00 . A A . 3 VAL CB 1 1
7 747 1 1 3 VAL CG1 C 10.217 -1.782 -4.002 1.00 . A A . 3 VAL CG1 1 1
7 748 1 1 3 VAL CG2 C 9.454 -1.043 -1.734 1.00 . A A . 3 VAL CG2 1 1
7 749 1 1 3 VAL H H 7.258 -2.294 -1.279 1.00 . A A . 3 VAL H 1 1
7 750 1 1 3 VAL HA H 7.587 -1.184 -3.782 1.00 . A A . 3 VAL HA 1 1
7 751 1 1 3 VAL HB H 9.546 -3.047 -2.435 1.00 . A A . 3 VAL HB 1 1
7 752 1 1 3 VAL HG11 H 10.651 -0.800 -3.876 1.00 . A A . 3 VAL HG11 1 1
7 753 1 1 3 VAL HG12 H 11.003 -2.522 -4.033 1.00 . A A . 3 VAL HG12 1 1
7 754 1 1 3 VAL HG13 H 9.658 -1.811 -4.926 1.00 . A A . 3 VAL HG13 1 1
7 755 1 1 3 VAL HG21 H 8.993 -1.407 -0.827 1.00 . A A . 3 VAL HG21 1 1
7 756 1 1 3 VAL HG22 H 10.506 -0.870 -1.558 1.00 . A A . 3 VAL HG22 1 1
7 757 1 1 3 VAL HG23 H 8.982 -0.119 -2.032 1.00 . A A . 3 VAL HG23 1 1
7 758 1 1 3 VAL N N 6.907 -2.315 -2.193 1.00 . A A . 3 VAL N 1 1
7 759 1 1 3 VAL O O 8.163 -4.347 -4.107 1.00 . A A . 3 VAL O 1 1
7 760 1 1 4 . C C 5.367 -3.797 -7.025 1.00 . A A . 4 DLE C 1 1
7 761 1 1 4 . CA C 6.795 -3.921 -6.489 1.00 . A A . 4 DLE CA 1 1
7 762 1 1 4 . CB C 7.870 -3.788 -7.569 1.00 . A A . 4 DLE CB 1 1
7 763 1 1 4 . CD1 C 7.745 -3.085 -9.988 1.00 . A A . 4 DLE CD1 1 1
7 764 1 1 4 . CD2 C 8.756 -1.529 -8.258 1.00 . A A . 4 DLE CD2 1 1
7 765 1 1 4 . CG C 7.710 -2.611 -8.534 1.00 . A A . 4 DLE CG 1 1
7 766 1 1 4 . H H 6.604 -2.037 -5.621 1.00 . A A . 4 DLE H 1 1
7 767 1 1 4 . HA H 6.911 -4.907 -6.039 1.00 . A A . 4 DLE HA 1 1
7 768 1 1 4 . HB2 H 7.889 -4.709 -8.151 1.00 . A A . 4 DLE HB2 1 1
7 769 1 1 4 . HB3 H 8.840 -3.700 -7.079 1.00 . A A . 4 DLE HB3 1 1
7 770 1 1 4 . HD11 H 7.149 -2.413 -10.604 1.00 . A A . 4 DLE HD11 1 1
7 771 1 1 4 . HD12 H 7.336 -4.094 -10.051 1.00 . A A . 4 DLE HD12 1 1
7 772 1 1 4 . HD13 H 8.775 -3.088 -10.344 1.00 . A A . 4 DLE HD13 1 1
7 773 1 1 4 . HD21 H 9.742 -1.897 -8.541 1.00 . A A . 4 DLE HD21 1 1
7 774 1 1 4 . HD22 H 8.751 -1.281 -7.197 1.00 . A A . 4 DLE HD22 1 1
7 775 1 1 4 . HD23 H 8.519 -0.638 -8.841 1.00 . A A . 4 DLE HD23 1 1
7 776 1 1 4 . HG H 6.731 -2.162 -8.365 1.00 . A A . 4 DLE HG 1 1
7 777 1 1 4 . N N 7.001 -2.937 -5.441 1.00 . A A . 4 DLE N 1 1
7 778 1 1 4 . O O 5.086 -4.043 -8.198 1.00 . A A . 4 DLE O 1 1
7 779 1 1 5 TYR C C 2.915 -2.546 -7.835 1.00 . A A . 5 TYR C 1 1
7 780 1 1 5 TYR CA C 3.059 -3.245 -6.487 1.00 . A A . 5 TYR CA 1 1
7 781 1 1 5 TYR CB C 2.328 -2.446 -5.406 1.00 . A A . 5 TYR CB 1 1
7 782 1 1 5 TYR CD1 C 0.791 -0.826 -6.585 1.00 . A A . 5 TYR CD1 1 1
7 783 1 1 5 TYR CD2 C -0.185 -2.688 -5.462 1.00 . A A . 5 TYR CD2 1 1
7 784 1 1 5 TYR CE1 C -0.463 -0.394 -6.970 1.00 . A A . 5 TYR CE1 1 1
7 785 1 1 5 TYR CE2 C -1.443 -2.264 -5.844 1.00 . A A . 5 TYR CE2 1 1
7 786 1 1 5 TYR CG C 0.953 -1.978 -5.825 1.00 . A A . 5 TYR CG 1 1
7 787 1 1 5 TYR CZ C -1.577 -1.117 -6.597 1.00 . A A . 5 TYR CZ 1 1
7 788 1 1 5 TYR H H 4.748 -3.226 -5.212 1.00 . A A . 5 TYR H 1 1
7 789 1 1 5 TYR HA H 2.618 -4.228 -6.554 1.00 . A A . 5 TYR HA 1 1
7 790 1 1 5 TYR HB2 H 2.214 -3.063 -4.528 1.00 . A A . 5 TYR HB2 1 1
7 791 1 1 5 TYR HB3 H 2.913 -1.574 -5.154 1.00 . A A . 5 TYR HB3 1 1
7 792 1 1 5 TYR HD1 H 1.666 -0.263 -6.876 1.00 . A A . 5 TYR HD1 1 1
7 793 1 1 5 TYR HD2 H -0.077 -3.587 -4.872 1.00 . A A . 5 TYR HD2 1 1
7 794 1 1 5 TYR HE1 H -0.568 0.504 -7.560 1.00 . A A . 5 TYR HE1 1 1
7 795 1 1 5 TYR HE2 H -2.316 -2.830 -5.552 1.00 . A A . 5 TYR HE2 1 1
7 796 1 1 5 TYR HH H -3.363 -1.449 -7.226 1.00 . A A . 5 TYR HH 1 1
7 797 1 1 5 TYR N N 4.464 -3.408 -6.132 1.00 . A A . 5 TYR N 1 1
7 798 1 1 5 TYR O O 3.619 -1.584 -8.144 1.00 . A A . 5 TYR O 1 1
7 799 1 1 5 TYR OH O -2.829 -0.691 -6.979 1.00 . A A . 5 TYR OH 1 1
7 800 1 1 6 PRO C C 1.924 -5.492 -8.253 1.00 . A A . 6 PRO C 1 1
7 801 1 1 6 PRO CA C 1.137 -4.187 -8.304 1.00 . A A . 6 PRO CA 1 1
7 802 1 1 6 PRO CB C 0.102 -4.229 -9.431 1.00 . A A . 6 PRO CB 1 1
7 803 1 1 6 PRO CD C 1.674 -2.522 -10.003 1.00 . A A . 6 PRO CD 1 1
7 804 1 1 6 PRO CG C 0.776 -3.576 -10.588 1.00 . A A . 6 PRO CG 1 1
7 805 1 1 6 PRO HA H 0.637 -4.032 -7.359 1.00 . A A . 6 PRO HA 1 1
7 806 1 1 6 PRO HB2 H -0.153 -5.257 -9.650 1.00 . A A . 6 PRO HB2 1 1
7 807 1 1 6 PRO HB3 H -0.783 -3.688 -9.133 1.00 . A A . 6 PRO HB3 1 1
7 808 1 1 6 PRO HD2 H 2.574 -2.423 -10.593 1.00 . A A . 6 PRO HD2 1 1
7 809 1 1 6 PRO HD3 H 1.156 -1.576 -9.941 1.00 . A A . 6 PRO HD3 1 1
7 810 1 1 6 PRO HG2 H 1.357 -4.304 -11.134 1.00 . A A . 6 PRO HG2 1 1
7 811 1 1 6 PRO HG3 H 0.038 -3.123 -11.234 1.00 . A A . 6 PRO HG3 1 1
7 812 1 1 6 PRO N N 1.980 -3.041 -8.660 1.00 . A A . 6 PRO N 1 1
7 813 1 1 6 PRO O O 1.544 -6.429 -7.551 1.00 . A A . 6 PRO O 1 1
7 814 1 1 7 TRP C C 4.777 -6.797 -7.823 1.00 . A A . 7 TRP C 1 1
7 815 1 1 7 TRP CA C 3.861 -6.737 -9.040 1.00 . A A . 7 TRP CA 1 1
7 816 1 1 7 TRP CB C 4.694 -6.756 -10.322 1.00 . A A . 7 TRP CB 1 1
7 817 1 1 7 TRP CD1 C 4.212 -5.561 -12.538 1.00 . A A . 7 TRP CD1 1 1
7 818 1 1 7 TRP CD2 C 2.647 -7.045 -11.932 1.00 . A A . 7 TRP CD2 1 1
7 819 1 1 7 TRP CE2 C 2.265 -6.463 -13.157 1.00 . A A . 7 TRP CE2 1 1
7 820 1 1 7 TRP CE3 C 1.816 -8.009 -11.357 1.00 . A A . 7 TRP CE3 1 1
7 821 1 1 7 TRP CG C 3.896 -6.454 -11.554 1.00 . A A . 7 TRP CG 1 1
7 822 1 1 7 TRP CH2 C 0.294 -7.762 -13.226 1.00 . A A . 7 TRP CH2 1 1
7 823 1 1 7 TRP CZ2 C 1.089 -6.815 -13.813 1.00 . A A . 7 TRP CZ2 1 1
7 824 1 1 7 TRP CZ3 C 0.648 -8.357 -12.009 1.00 . A A . 7 TRP CZ3 1 1
7 825 1 1 7 TRP H H 3.271 -4.766 -9.539 1.00 . A A . 7 TRP H 1 1
7 826 1 1 7 TRP HA H 3.211 -7.600 -9.031 1.00 . A A . 7 TRP HA 1 1
7 827 1 1 7 TRP HB2 H 5.479 -6.019 -10.245 1.00 . A A . 7 TRP HB2 1 1
7 828 1 1 7 TRP HB3 H 5.135 -7.735 -10.441 1.00 . A A . 7 TRP HB3 1 1
7 829 1 1 7 TRP HD1 H 5.102 -4.950 -12.541 1.00 . A A . 7 TRP HD1 1 1
7 830 1 1 7 TRP HE1 H 3.236 -5.006 -14.313 1.00 . A A . 7 TRP HE1 1 1
7 831 1 1 7 TRP HE3 H 2.072 -8.480 -10.419 1.00 . A A . 7 TRP HE3 1 1
7 832 1 1 7 TRP HH2 H -0.628 -8.064 -13.700 1.00 . A A . 7 TRP HH2 1 1
7 833 1 1 7 TRP HZ2 H 0.801 -6.365 -14.752 1.00 . A A . 7 TRP HZ2 1 1
7 834 1 1 7 TRP HZ3 H -0.007 -9.100 -11.579 1.00 . A A . 7 TRP HZ3 1 1
7 835 1 1 7 TRP N N 3.020 -5.546 -9.001 1.00 . A A . 7 TRP N 1 1
7 836 1 1 7 TRP NE1 N 3.236 -5.561 -13.505 1.00 . A A . 7 TRP NE1 1 1
7 837 1 1 7 TRP O O 5.976 -6.537 -7.922 1.00 . A A . 7 TRP O 1 1
7 838 1 1 8 CYS C C 5.732 -8.557 -5.367 1.00 . A A . 8 CYS C 1 1
7 839 1 1 8 CYS CA C 4.970 -7.237 -5.436 1.00 . A A . 8 CYS CA 1 1
7 840 1 1 8 CYS CB C 4.042 -7.107 -4.227 1.00 . A A . 8 CYS CB 1 1
7 841 1 1 8 CYS H H 3.244 -7.338 -6.657 1.00 . A A . 8 CYS H 1 1
7 842 1 1 8 CYS HA H 5.681 -6.424 -5.422 1.00 . A A . 8 CYS HA 1 1
7 843 1 1 8 CYS HB2 H 3.069 -7.499 -4.486 1.00 . A A . 8 CYS HB2 1 1
7 844 1 1 8 CYS HB3 H 4.449 -7.681 -3.408 1.00 . A A . 8 CYS HB3 1 1
7 845 1 1 8 CYS N N 4.205 -7.142 -6.674 1.00 . A A . 8 CYS N 1 1
7 846 1 1 8 CYS O O 6.168 -9.087 -6.389 1.00 . A A . 8 CYS O 1 1
7 847 1 1 8 CYS SG S 3.811 -5.396 -3.647 1.00 . A A . 8 CYS SG 1 1
8 848 1 1 1 GLY C C 3.532 -0.865 -0.878 1.00 . A A . 1 GLY C 1 1
8 849 1 1 1 GLY CA C 2.147 -0.250 -0.939 1.00 . A A . 1 GLY CA 1 1
8 850 1 1 1 GLY H1 H 0.482 -0.232 0.369 1.00 . A A . 1 GLY H1 1 1
8 851 1 1 1 GLY HA2 H 1.561 -0.780 -1.675 1.00 . A A . 1 GLY HA2 1 1
8 852 1 1 1 GLY HA3 H 2.238 0.783 -1.241 1.00 . A A . 1 GLY HA3 1 1
8 853 1 1 1 GLY N N 1.459 -0.305 0.338 1.00 . A A . 1 GLY N 1 1
8 854 1 1 1 GLY O O 4.508 -0.184 -0.562 1.00 . A A . 1 GLY O 1 1
8 855 1 1 2 CYS C C 5.690 -2.589 -2.428 1.00 . A A . 2 CYS C 1 1
8 856 1 1 2 CYS CA C 4.892 -2.864 -1.157 1.00 . A A . 2 CYS CA 1 1
8 857 1 1 2 CYS CB C 4.660 -4.368 -1.002 1.00 . A A . 2 CYS CB 1 1
8 858 1 1 2 CYS H H 2.803 -2.645 -1.425 1.00 . A A . 2 CYS H 1 1
8 859 1 1 2 CYS HA H 5.455 -2.506 -0.309 1.00 . A A . 2 CYS HA 1 1
8 860 1 1 2 CYS HB2 H 5.614 -4.861 -0.880 1.00 . A A . 2 CYS HB2 1 1
8 861 1 1 2 CYS HB3 H 4.055 -4.543 -0.125 1.00 . A A . 2 CYS HB3 1 1
8 862 1 1 2 CYS N N 3.618 -2.156 -1.180 1.00 . A A . 2 CYS N 1 1
8 863 1 1 2 CYS O O 5.137 -2.563 -3.528 1.00 . A A . 2 CYS O 1 1
8 864 1 1 2 CYS SG S 3.818 -5.141 -2.421 1.00 . A A . 2 CYS SG 1 1
8 865 1 1 3 VAL C C 7.695 -3.163 -4.495 1.00 . A A . 3 VAL C 1 1
8 866 1 1 3 VAL CA C 7.869 -2.113 -3.403 1.00 . A A . 3 VAL CA 1 1
8 867 1 1 3 VAL CB C 9.348 -2.075 -2.974 1.00 . A A . 3 VAL CB 1 1
8 868 1 1 3 VAL CG1 C 10.238 -1.724 -4.156 1.00 . A A . 3 VAL CG1 1 1
8 869 1 1 3 VAL CG2 C 9.546 -1.088 -1.834 1.00 . A A . 3 VAL CG2 1 1
8 870 1 1 3 VAL H H 7.376 -2.418 -1.368 1.00 . A A . 3 VAL H 1 1
8 871 1 1 3 VAL HA H 7.607 -1.145 -3.803 1.00 . A A . 3 VAL HA 1 1
8 872 1 1 3 VAL HB H 9.625 -3.059 -2.623 1.00 . A A . 3 VAL HB 1 1
8 873 1 1 3 VAL HG11 H 10.236 -2.540 -4.864 1.00 . A A . 3 VAL HG11 1 1
8 874 1 1 3 VAL HG12 H 9.865 -0.830 -4.635 1.00 . A A . 3 VAL HG12 1 1
8 875 1 1 3 VAL HG13 H 11.246 -1.553 -3.809 1.00 . A A . 3 VAL HG13 1 1
8 876 1 1 3 VAL HG21 H 10.595 -0.847 -1.746 1.00 . A A . 3 VAL HG21 1 1
8 877 1 1 3 VAL HG22 H 8.986 -0.187 -2.037 1.00 . A A . 3 VAL HG22 1 1
8 878 1 1 3 VAL HG23 H 9.199 -1.528 -0.912 1.00 . A A . 3 VAL HG23 1 1
8 879 1 1 3 VAL N N 6.994 -2.385 -2.269 1.00 . A A . 3 VAL N 1 1
8 880 1 1 3 VAL O O 8.207 -4.272 -4.352 1.00 . A A . 3 VAL O 1 1
8 881 1 1 4 . C C 5.307 -3.574 -7.132 1.00 . A A . 4 DLE C 1 1
8 882 1 1 4 . CA C 6.754 -3.712 -6.655 1.00 . A A . 4 DLE CA 1 1
8 883 1 1 4 . CB C 7.789 -3.493 -7.759 1.00 . A A . 4 DLE CB 1 1
8 884 1 1 4 . CD1 C 7.747 -2.159 -9.899 1.00 . A A . 4 DLE CD1 1 1
8 885 1 1 4 . CD2 C 9.063 -1.321 -7.899 1.00 . A A . 4 DLE CD2 1 1
8 886 1 1 4 . CG C 7.829 -2.092 -8.373 1.00 . A A . 4 DLE CG 1 1
8 887 1 1 4 . H H 6.572 -1.890 -5.660 1.00 . A A . 4 DLE H 1 1
8 888 1 1 4 . HA H 6.897 -4.723 -6.274 1.00 . A A . 4 DLE HA 1 1
8 889 1 1 4 . HB2 H 7.598 -4.212 -8.556 1.00 . A A . 4 DLE HB2 1 1
8 890 1 1 4 . HB3 H 8.776 -3.720 -7.355 1.00 . A A . 4 DLE HB3 1 1
8 891 1 1 4 . HD11 H 6.967 -2.863 -10.190 1.00 . A A . 4 DLE HD11 1 1
8 892 1 1 4 . HD12 H 8.705 -2.492 -10.300 1.00 . A A . 4 DLE HD12 1 1
8 893 1 1 4 . HD13 H 7.511 -1.171 -10.294 1.00 . A A . 4 DLE HD13 1 1
8 894 1 1 4 . HD21 H 9.301 -1.610 -6.875 1.00 . A A . 4 DLE HD21 1 1
8 895 1 1 4 . HD22 H 8.859 -0.251 -7.936 1.00 . A A . 4 DLE HD22 1 1
8 896 1 1 4 . HD23 H 9.908 -1.553 -8.547 1.00 . A A . 4 DLE HD23 1 1
8 897 1 1 4 . HG H 6.954 -1.542 -8.028 1.00 . A A . 4 DLE HG 1 1
8 898 1 1 4 . N N 6.985 -2.795 -5.552 1.00 . A A . 4 DLE N 1 1
8 899 1 1 4 . O O 4.988 -3.747 -8.309 1.00 . A A . 4 DLE O 1 1
8 900 1 1 5 TYR C C 2.813 -2.325 -7.784 1.00 . A A . 5 TYR C 1 1
8 901 1 1 5 TYR CA C 3.012 -3.092 -6.480 1.00 . A A . 5 TYR CA 1 1
8 902 1 1 5 TYR CB C 2.313 -2.360 -5.333 1.00 . A A . 5 TYR CB 1 1
8 903 1 1 5 TYR CD1 C 0.715 -0.699 -6.364 1.00 . A A . 5 TYR CD1 1 1
8 904 1 1 5 TYR CD2 C -0.197 -2.633 -5.312 1.00 . A A . 5 TYR CD2 1 1
8 905 1 1 5 TYR CE1 C -0.557 -0.264 -6.680 1.00 . A A . 5 TYR CE1 1 1
8 906 1 1 5 TYR CE2 C -1.473 -2.207 -5.624 1.00 . A A . 5 TYR CE2 1 1
8 907 1 1 5 TYR CG C 0.918 -1.889 -5.676 1.00 . A A . 5 TYR CG 1 1
8 908 1 1 5 TYR CZ C -1.648 -1.022 -6.308 1.00 . A A . 5 TYR CZ 1 1
8 909 1 1 5 TYR H H 4.745 -3.133 -5.265 1.00 . A A . 5 TYR H 1 1
8 910 1 1 5 TYR HA H 2.578 -4.076 -6.584 1.00 . A A . 5 TYR HA 1 1
8 911 1 1 5 TYR HB2 H 2.239 -3.023 -4.484 1.00 . A A . 5 TYR HB2 1 1
8 912 1 1 5 TYR HB3 H 2.898 -1.495 -5.058 1.00 . A A . 5 TYR HB3 1 1
8 913 1 1 5 TYR HD1 H 1.572 -0.108 -6.654 1.00 . A A . 5 TYR HD1 1 1
8 914 1 1 5 TYR HD2 H -0.056 -3.561 -4.776 1.00 . A A . 5 TYR HD2 1 1
8 915 1 1 5 TYR HE1 H -0.695 0.663 -7.215 1.00 . A A . 5 TYR HE1 1 1
8 916 1 1 5 TYR HE2 H -2.328 -2.799 -5.333 1.00 . A A . 5 TYR HE2 1 1
8 917 1 1 5 TYR HH H -2.895 0.342 -6.839 1.00 . A A . 5 TYR HH 1 1
8 918 1 1 5 TYR N N 4.431 -3.257 -6.185 1.00 . A A . 5 TYR N 1 1
8 919 1 1 5 TYR O O 3.494 -1.339 -8.065 1.00 . A A . 5 TYR O 1 1
8 920 1 1 5 TYR OH O -2.918 -0.593 -6.620 1.00 . A A . 5 TYR OH 1 1
8 921 1 1 6 PRO C C 1.841 -5.257 -8.323 1.00 . A A . 6 PRO C 1 1
8 922 1 1 6 PRO CA C 1.038 -3.962 -8.277 1.00 . A A . 6 PRO CA 1 1
8 923 1 1 6 PRO CB C -0.036 -3.958 -9.368 1.00 . A A . 6 PRO CB 1 1
8 924 1 1 6 PRO CD C 1.496 -2.202 -9.903 1.00 . A A . 6 PRO CD 1 1
8 925 1 1 6 PRO CG C 0.589 -3.236 -10.511 1.00 . A A . 6 PRO CG 1 1
8 926 1 1 6 PRO HA H 0.570 -3.864 -7.308 1.00 . A A . 6 PRO HA 1 1
8 927 1 1 6 PRO HB2 H -0.287 -4.976 -9.632 1.00 . A A . 6 PRO HB2 1 1
8 928 1 1 6 PRO HB3 H -0.916 -3.446 -9.010 1.00 . A A . 6 PRO HB3 1 1
8 929 1 1 6 PRO HD2 H 2.373 -2.061 -10.517 1.00 . A A . 6 PRO HD2 1 1
8 930 1 1 6 PRO HD3 H 0.969 -1.268 -9.772 1.00 . A A . 6 PRO HD3 1 1
8 931 1 1 6 PRO HG2 H 1.158 -3.926 -11.115 1.00 . A A . 6 PRO HG2 1 1
8 932 1 1 6 PRO HG3 H -0.177 -2.759 -11.106 1.00 . A A . 6 PRO HG3 1 1
8 933 1 1 6 PRO N N 1.855 -2.788 -8.600 1.00 . A A . 6 PRO N 1 1
8 934 1 1 6 PRO O O 1.492 -6.238 -7.666 1.00 . A A . 6 PRO O 1 1
8 935 1 1 7 TRP C C 4.719 -6.548 -8.049 1.00 . A A . 7 TRP C 1 1
8 936 1 1 7 TRP CA C 3.768 -6.430 -9.235 1.00 . A A . 7 TRP CA 1 1
8 937 1 1 7 TRP CB C 4.564 -6.365 -10.539 1.00 . A A . 7 TRP CB 1 1
8 938 1 1 7 TRP CD1 C 4.733 -8.196 -12.324 1.00 . A A . 7 TRP CD1 1 1
8 939 1 1 7 TRP CD2 C 2.680 -7.335 -12.080 1.00 . A A . 7 TRP CD2 1 1
8 940 1 1 7 TRP CE2 C 2.636 -8.322 -13.083 1.00 . A A . 7 TRP CE2 1 1
8 941 1 1 7 TRP CE3 C 1.503 -6.656 -11.751 1.00 . A A . 7 TRP CE3 1 1
8 942 1 1 7 TRP CG C 4.030 -7.270 -11.607 1.00 . A A . 7 TRP CG 1 1
8 943 1 1 7 TRP CH2 C 0.326 -7.963 -13.418 1.00 . A A . 7 TRP CH2 1 1
8 944 1 1 7 TRP CZ2 C 1.463 -8.644 -13.760 1.00 . A A . 7 TRP CZ2 1 1
8 945 1 1 7 TRP CZ3 C 0.340 -6.976 -12.424 1.00 . A A . 7 TRP CZ3 1 1
8 946 1 1 7 TRP H H 3.142 -4.441 -9.603 1.00 . A A . 7 TRP H 1 1
8 947 1 1 7 TRP HA H 3.129 -7.301 -9.257 1.00 . A A . 7 TRP HA 1 1
8 948 1 1 7 TRP HB2 H 4.542 -5.354 -10.917 1.00 . A A . 7 TRP HB2 1 1
8 949 1 1 7 TRP HB3 H 5.588 -6.649 -10.341 1.00 . A A . 7 TRP HB3 1 1
8 950 1 1 7 TRP HD1 H 5.788 -8.388 -12.201 1.00 . A A . 7 TRP HD1 1 1
8 951 1 1 7 TRP HE1 H 4.170 -9.537 -13.840 1.00 . A A . 7 TRP HE1 1 1
8 952 1 1 7 TRP HE3 H 1.494 -5.892 -10.988 1.00 . A A . 7 TRP HE3 1 1
8 953 1 1 7 TRP HH2 H -0.606 -8.181 -13.918 1.00 . A A . 7 TRP HH2 1 1
8 954 1 1 7 TRP HZ2 H 1.436 -9.403 -14.528 1.00 . A A . 7 TRP HZ2 1 1
8 955 1 1 7 TRP HZ3 H -0.579 -6.461 -12.184 1.00 . A A . 7 TRP HZ3 1 1
8 956 1 1 7 TRP N N 2.916 -5.254 -9.103 1.00 . A A . 7 TRP N 1 1
8 957 1 1 7 TRP NE1 N 3.901 -8.832 -13.214 1.00 . A A . 7 TRP NE1 1 1
8 958 1 1 7 TRP O O 5.888 -6.169 -8.138 1.00 . A A . 7 TRP O 1 1
8 959 1 1 8 CYS C C 5.743 -8.586 -5.749 1.00 . A A . 8 CYS C 1 1
8 960 1 1 8 CYS CA C 5.017 -7.244 -5.736 1.00 . A A . 8 CYS CA 1 1
8 961 1 1 8 CYS CB C 4.136 -7.141 -4.490 1.00 . A A . 8 CYS CB 1 1
8 962 1 1 8 CYS H H 3.274 -7.360 -6.930 1.00 . A A . 8 CYS H 1 1
8 963 1 1 8 CYS HA H 5.751 -6.452 -5.713 1.00 . A A . 8 CYS HA 1 1
8 964 1 1 8 CYS HB2 H 3.144 -7.496 -4.730 1.00 . A A . 8 CYS HB2 1 1
8 965 1 1 8 CYS HB3 H 4.555 -7.760 -3.710 1.00 . A A . 8 CYS HB3 1 1
8 966 1 1 8 CYS N N 4.213 -7.076 -6.940 1.00 . A A . 8 CYS N 1 1
8 967 1 1 8 CYS O O 5.152 -9.625 -5.455 1.00 . A A . 8 CYS O 1 1
8 968 1 1 8 CYS SG S 3.974 -5.450 -3.831 1.00 . A A . 8 CYS SG 1 1
9 969 1 1 1 GLY C C 3.496 -0.828 -0.882 1.00 . A A . 1 GLY C 1 1
9 970 1 1 1 GLY CA C 2.119 -0.199 -0.957 1.00 . A A . 1 GLY CA 1 1
9 971 1 1 1 GLY H1 H 1.874 -0.579 1.112 1.00 . A A . 1 GLY H1 1 1
9 972 1 1 1 GLY HA2 H 1.538 -0.718 -1.704 1.00 . A A . 1 GLY HA2 1 1
9 973 1 1 1 GLY HA3 H 2.224 0.835 -1.251 1.00 . A A . 1 GLY HA3 1 1
9 974 1 1 1 GLY N N 1.413 -0.256 0.310 1.00 . A A . 1 GLY N 1 1
9 975 1 1 1 GLY O O 4.477 -0.157 -0.560 1.00 . A A . 1 GLY O 1 1
9 976 1 1 2 CYS C C 5.649 -2.583 -2.405 1.00 . A A . 2 CYS C 1 1
9 977 1 1 2 CYS CA C 4.837 -2.843 -1.140 1.00 . A A . 2 CYS CA 1 1
9 978 1 1 2 CYS CB C 4.588 -4.345 -0.980 1.00 . A A . 2 CYS CB 1 1
9 979 1 1 2 CYS H H 2.753 -2.604 -1.427 1.00 . A A . 2 CYS H 1 1
9 980 1 1 2 CYS HA H 5.397 -2.488 -0.288 1.00 . A A . 2 CYS HA 1 1
9 981 1 1 2 CYS HB2 H 5.538 -4.852 -0.895 1.00 . A A . 2 CYS HB2 1 1
9 982 1 1 2 CYS HB3 H 4.014 -4.513 -0.080 1.00 . A A . 2 CYS HB3 1 1
9 983 1 1 2 CYS N N 3.571 -2.122 -1.177 1.00 . A A . 2 CYS N 1 1
9 984 1 1 2 CYS O O 5.106 -2.557 -3.510 1.00 . A A . 2 CYS O 1 1
9 985 1 1 2 CYS SG S 3.680 -5.099 -2.367 1.00 . A A . 2 CYS SG 1 1
9 986 1 1 3 VAL C C 7.665 -3.187 -4.452 1.00 . A A . 3 VAL C 1 1
9 987 1 1 3 VAL CA C 7.841 -2.135 -3.364 1.00 . A A . 3 VAL CA 1 1
9 988 1 1 3 VAL CB C 9.316 -2.110 -2.922 1.00 . A A . 3 VAL CB 1 1
9 989 1 1 3 VAL CG1 C 10.221 -1.782 -4.100 1.00 . A A . 3 VAL CG1 1 1
9 990 1 1 3 VAL CG2 C 9.517 -1.113 -1.791 1.00 . A A . 3 VAL CG2 1 1
9 991 1 1 3 VAL H H 7.327 -2.424 -1.331 1.00 . A A . 3 VAL H 1 1
9 992 1 1 3 VAL HA H 7.593 -1.165 -3.770 1.00 . A A . 3 VAL HA 1 1
9 993 1 1 3 VAL HB H 9.578 -3.093 -2.558 1.00 . A A . 3 VAL HB 1 1
9 994 1 1 3 VAL HG11 H 10.548 -2.699 -4.569 1.00 . A A . 3 VAL HG11 1 1
9 995 1 1 3 VAL HG12 H 9.677 -1.184 -4.816 1.00 . A A . 3 VAL HG12 1 1
9 996 1 1 3 VAL HG13 H 11.082 -1.231 -3.750 1.00 . A A . 3 VAL HG13 1 1
9 997 1 1 3 VAL HG21 H 8.646 -0.480 -1.712 1.00 . A A . 3 VAL HG21 1 1
9 998 1 1 3 VAL HG22 H 9.661 -1.646 -0.862 1.00 . A A . 3 VAL HG22 1 1
9 999 1 1 3 VAL HG23 H 10.387 -0.506 -1.995 1.00 . A A . 3 VAL HG23 1 1
9 1000 1 1 3 VAL N N 6.953 -2.391 -2.236 1.00 . A A . 3 VAL N 1 1
9 1001 1 1 3 VAL O O 8.163 -4.301 -4.299 1.00 . A A . 3 VAL O 1 1
9 1002 1 1 4 . C C 5.295 -3.586 -7.107 1.00 . A A . 4 DLE C 1 1
9 1003 1 1 4 . CA C 6.737 -3.736 -6.617 1.00 . A A . 4 DLE CA 1 1
9 1004 1 1 4 . CB C 7.784 -3.533 -7.714 1.00 . A A . 4 DLE CB 1 1
9 1005 1 1 4 . CD1 C 7.791 -2.361 -9.947 1.00 . A A . 4 DLE CD1 1 1
9 1006 1 1 4 . CD2 C 8.881 -1.273 -7.930 1.00 . A A . 4 DLE CD2 1 1
9 1007 1 1 4 . CG C 7.754 -2.180 -8.428 1.00 . A A . 4 DLE CG 1 1
9 1008 1 1 4 . H H 6.566 -1.908 -5.633 1.00 . A A . 4 DLE H 1 1
9 1009 1 1 4 . HA H 6.866 -4.747 -6.231 1.00 . A A . 4 DLE HA 1 1
9 1010 1 1 4 . HB2 H 7.657 -4.318 -8.460 1.00 . A A . 4 DLE HB2 1 1
9 1011 1 1 4 . HB3 H 8.772 -3.668 -7.275 1.00 . A A . 4 DLE HB3 1 1
9 1012 1 1 4 . HD11 H 8.775 -2.722 -10.245 1.00 . A A . 4 DLE HD11 1 1
9 1013 1 1 4 . HD12 H 7.593 -1.405 -10.431 1.00 . A A . 4 DLE HD12 1 1
9 1014 1 1 4 . HD13 H 7.033 -3.084 -10.246 1.00 . A A . 4 DLE HD13 1 1
9 1015 1 1 4 . HD21 H 9.089 -1.493 -6.883 1.00 . A A . 4 DLE HD21 1 1
9 1016 1 1 4 . HD22 H 8.579 -0.231 -8.030 1.00 . A A . 4 DLE HD22 1 1
9 1017 1 1 4 . HD23 H 9.778 -1.450 -8.523 1.00 . A A . 4 DLE HD23 1 1
9 1018 1 1 4 . HG H 6.813 -1.687 -8.185 1.00 . A A . 4 DLE HG 1 1
9 1019 1 1 4 . N N 6.968 -2.816 -5.516 1.00 . A A . 4 DLE N 1 1
9 1020 1 1 4 . O O 4.985 -3.760 -8.286 1.00 . A A . 4 DLE O 1 1
9 1021 1 1 5 TYR C C 2.820 -2.314 -7.786 1.00 . A A . 5 TYR C 1 1
9 1022 1 1 5 TYR CA C 3.001 -3.077 -6.477 1.00 . A A . 5 TYR CA 1 1
9 1023 1 1 5 TYR CB C 2.300 -2.333 -5.339 1.00 . A A . 5 TYR CB 1 1
9 1024 1 1 5 TYR CD1 C 0.728 -0.660 -6.391 1.00 . A A . 5 TYR CD1 1 1
9 1025 1 1 5 TYR CD2 C -0.214 -2.580 -5.338 1.00 . A A . 5 TYR CD2 1 1
9 1026 1 1 5 TYR CE1 C -0.538 -0.213 -6.719 1.00 . A A . 5 TYR CE1 1 1
9 1027 1 1 5 TYR CE2 C -1.483 -2.142 -5.664 1.00 . A A . 5 TYR CE2 1 1
9 1028 1 1 5 TYR CG C 0.912 -1.849 -5.696 1.00 . A A . 5 TYR CG 1 1
9 1029 1 1 5 TYR CZ C -1.640 -0.958 -6.354 1.00 . A A . 5 TYR CZ 1 1
9 1030 1 1 5 TYR H H 4.722 -3.130 -5.247 1.00 . A A . 5 TYR H 1 1
9 1031 1 1 5 TYR HA H 2.558 -4.056 -6.581 1.00 . A A . 5 TYR HA 1 1
9 1032 1 1 5 TYR HB2 H 2.212 -2.991 -4.489 1.00 . A A . 5 TYR HB2 1 1
9 1033 1 1 5 TYR HB3 H 2.891 -1.472 -5.063 1.00 . A A . 5 TYR HB3 1 1
9 1034 1 1 5 TYR HD1 H 1.593 -0.079 -6.677 1.00 . A A . 5 TYR HD1 1 1
9 1035 1 1 5 TYR HD2 H -0.087 -3.506 -4.797 1.00 . A A . 5 TYR HD2 1 1
9 1036 1 1 5 TYR HE1 H -0.661 0.714 -7.260 1.00 . A A . 5 TYR HE1 1 1
9 1037 1 1 5 TYR HE2 H -2.346 -2.724 -5.377 1.00 . A A . 5 TYR HE2 1 1
9 1038 1 1 5 TYR HH H -2.870 -0.039 -7.510 1.00 . A A . 5 TYR HH 1 1
9 1039 1 1 5 TYR N N 4.415 -3.255 -6.169 1.00 . A A . 5 TYR N 1 1
9 1040 1 1 5 TYR O O 3.514 -1.336 -8.065 1.00 . A A . 5 TYR O 1 1
9 1041 1 1 5 TYR OH O -2.902 -0.517 -6.678 1.00 . A A . 5 TYR OH 1 1
9 1042 1 1 6 PRO C C 1.823 -5.238 -8.321 1.00 . A A . 6 PRO C 1 1
9 1043 1 1 6 PRO CA C 1.033 -3.934 -8.287 1.00 . A A . 6 PRO CA 1 1
9 1044 1 1 6 PRO CB C -0.031 -3.924 -9.388 1.00 . A A . 6 PRO CB 1 1
9 1045 1 1 6 PRO CD C 1.523 -2.186 -9.917 1.00 . A A . 6 PRO CD 1 1
9 1046 1 1 6 PRO CG C 0.610 -3.213 -10.529 1.00 . A A . 6 PRO CG 1 1
9 1047 1 1 6 PRO HA H 0.557 -3.828 -7.323 1.00 . A A . 6 PRO HA 1 1
9 1048 1 1 6 PRO HB2 H -0.291 -4.940 -9.650 1.00 . A A . 6 PRO HB2 1 1
9 1049 1 1 6 PRO HB3 H -0.909 -3.401 -9.040 1.00 . A A . 6 PRO HB3 1 1
9 1050 1 1 6 PRO HD2 H 2.406 -2.057 -10.524 1.00 . A A . 6 PRO HD2 1 1
9 1051 1 1 6 PRO HD3 H 1.005 -1.246 -9.795 1.00 . A A . 6 PRO HD3 1 1
9 1052 1 1 6 PRO HG2 H 1.178 -3.912 -11.124 1.00 . A A . 6 PRO HG2 1 1
9 1053 1 1 6 PRO HG3 H -0.145 -2.731 -11.131 1.00 . A A . 6 PRO HG3 1 1
9 1054 1 1 6 PRO N N 1.865 -2.770 -8.609 1.00 . A A . 6 PRO N 1 1
9 1055 1 1 6 PRO O O 1.459 -6.212 -7.662 1.00 . A A . 6 PRO O 1 1
9 1056 1 1 7 TRP C C 4.686 -6.557 -8.018 1.00 . A A . 7 TRP C 1 1
9 1057 1 1 7 TRP CA C 3.745 -6.435 -9.211 1.00 . A A . 7 TRP CA 1 1
9 1058 1 1 7 TRP CB C 4.552 -6.384 -10.510 1.00 . A A . 7 TRP CB 1 1
9 1059 1 1 7 TRP CD1 C 4.716 -8.225 -12.285 1.00 . A A . 7 TRP CD1 1 1
9 1060 1 1 7 TRP CD2 C 2.670 -7.341 -12.061 1.00 . A A . 7 TRP CD2 1 1
9 1061 1 1 7 TRP CE2 C 2.624 -8.333 -13.060 1.00 . A A . 7 TRP CE2 1 1
9 1062 1 1 7 TRP CE3 C 1.499 -6.648 -11.745 1.00 . A A . 7 TRP CE3 1 1
9 1063 1 1 7 TRP CG C 4.017 -7.289 -11.578 1.00 . A A . 7 TRP CG 1 1
9 1064 1 1 7 TRP CH2 C 0.321 -7.951 -13.416 1.00 . A A . 7 TRP CH2 1 1
9 1065 1 1 7 TRP CZ2 C 1.453 -8.646 -13.745 1.00 . A A . 7 TRP CZ2 1 1
9 1066 1 1 7 TRP CZ3 C 0.337 -6.960 -12.426 1.00 . A A . 7 TRP CZ3 1 1
9 1067 1 1 7 TRP H H 3.142 -4.441 -9.594 1.00 . A A . 7 TRP H 1 1
9 1068 1 1 7 TRP HA H 3.097 -7.299 -9.235 1.00 . A A . 7 TRP HA 1 1
9 1069 1 1 7 TRP HB2 H 4.544 -5.375 -10.893 1.00 . A A . 7 TRP HB2 1 1
9 1070 1 1 7 TRP HB3 H 5.571 -6.678 -10.303 1.00 . A A . 7 TRP HB3 1 1
9 1071 1 1 7 TRP HD1 H 5.768 -8.428 -12.152 1.00 . A A . 7 TRP HD1 1 1
9 1072 1 1 7 TRP HE1 H 4.151 -9.568 -13.799 1.00 . A A . 7 TRP HE1 1 1
9 1073 1 1 7 TRP HE3 H 1.491 -5.880 -10.986 1.00 . A A . 7 TRP HE3 1 1
9 1074 1 1 7 TRP HH2 H -0.609 -8.161 -13.922 1.00 . A A . 7 TRP HH2 1 1
9 1075 1 1 7 TRP HZ2 H 1.424 -9.408 -14.510 1.00 . A A . 7 TRP HZ2 1 1
9 1076 1 1 7 TRP HZ3 H -0.579 -6.434 -12.196 1.00 . A A . 7 TRP HZ3 1 1
9 1077 1 1 7 TRP N N 2.904 -5.249 -9.092 1.00 . A A . 7 TRP N 1 1
9 1078 1 1 7 TRP NE1 N 3.885 -8.856 -13.178 1.00 . A A . 7 TRP NE1 1 1
9 1079 1 1 7 TRP O O 5.859 -6.190 -8.099 1.00 . A A . 7 TRP O 1 1
9 1080 1 1 8 CYS C C 5.672 -8.593 -5.701 1.00 . A A . 8 CYS C 1 1
9 1081 1 1 8 CYS CA C 4.958 -7.244 -5.699 1.00 . A A . 8 CYS CA 1 1
9 1082 1 1 8 CYS CB C 4.067 -7.128 -4.460 1.00 . A A . 8 CYS CB 1 1
9 1083 1 1 8 CYS H H 3.223 -7.347 -6.907 1.00 . A A . 8 CYS H 1 1
9 1084 1 1 8 CYS HA H 5.699 -6.459 -5.674 1.00 . A A . 8 CYS HA 1 1
9 1085 1 1 8 CYS HB2 H 3.074 -7.475 -4.707 1.00 . A A . 8 CYS HB2 1 1
9 1086 1 1 8 CYS HB3 H 4.474 -7.747 -3.674 1.00 . A A . 8 CYS HB3 1 1
9 1087 1 1 8 CYS N N 4.165 -7.074 -6.910 1.00 . A A . 8 CYS N 1 1
9 1088 1 1 8 CYS O O 6.579 -8.824 -6.500 1.00 . A A . 8 CYS O 1 1
9 1089 1 1 8 CYS SG S 3.915 -5.433 -3.810 1.00 . A A . 8 CYS SG 1 1
10 1090 1 1 1 GLY C C 3.485 -0.822 -0.888 1.00 . A A . 1 GLY C 1 1
10 1091 1 1 1 GLY CA C 2.107 -0.194 -0.969 1.00 . A A . 1 GLY CA 1 1
10 1092 1 1 1 GLY H1 H 1.338 0.499 0.878 1.00 . A A . 1 GLY H1 1 1
10 1093 1 1 1 GLY HA2 H 1.538 -0.697 -1.737 1.00 . A A . 1 GLY HA2 1 1
10 1094 1 1 1 GLY HA3 H 2.214 0.847 -1.239 1.00 . A A . 1 GLY HA3 1 1
10 1095 1 1 1 GLY N N 1.383 -0.280 0.285 1.00 . A A . 1 GLY N 1 1
10 1096 1 1 1 GLY O O 4.463 -0.149 -0.562 1.00 . A A . 1 GLY O 1 1
10 1097 1 1 2 CYS C C 5.646 -2.575 -2.400 1.00 . A A . 2 CYS C 1 1
10 1098 1 1 2 CYS CA C 4.829 -2.835 -1.138 1.00 . A A . 2 CYS CA 1 1
10 1099 1 1 2 CYS CB C 4.580 -4.337 -0.978 1.00 . A A . 2 CYS CB 1 1
10 1100 1 1 2 CYS H H 2.746 -2.598 -1.434 1.00 . A A . 2 CYS H 1 1
10 1101 1 1 2 CYS HA H 5.384 -2.478 -0.284 1.00 . A A . 2 CYS HA 1 1
10 1102 1 1 2 CYS HB2 H 5.531 -4.849 -0.944 1.00 . A A . 2 CYS HB2 1 1
10 1103 1 1 2 CYS HB3 H 4.051 -4.510 -0.053 1.00 . A A . 2 CYS HB3 1 1
10 1104 1 1 2 CYS N N 3.562 -2.115 -1.182 1.00 . A A . 2 CYS N 1 1
10 1105 1 1 2 CYS O O 5.108 -2.550 -3.507 1.00 . A A . 2 CYS O 1 1
10 1106 1 1 2 CYS SG S 3.603 -5.076 -2.326 1.00 . A A . 2 CYS SG 1 1
10 1107 1 1 3 VAL C C 7.672 -3.179 -4.437 1.00 . A A . 3 VAL C 1 1
10 1108 1 1 3 VAL CA C 7.842 -2.125 -3.349 1.00 . A A . 3 VAL CA 1 1
10 1109 1 1 3 VAL CB C 9.316 -2.099 -2.900 1.00 . A A . 3 VAL CB 1 1
10 1110 1 1 3 VAL CG1 C 10.227 -1.786 -4.078 1.00 . A A . 3 VAL CG1 1 1
10 1111 1 1 3 VAL CG2 C 9.513 -1.089 -1.780 1.00 . A A . 3 VAL CG2 1 1
10 1112 1 1 3 VAL H H 7.320 -2.414 -1.318 1.00 . A A . 3 VAL H 1 1
10 1113 1 1 3 VAL HA H 7.595 -1.156 -3.757 1.00 . A A . 3 VAL HA 1 1
10 1114 1 1 3 VAL HB H 9.574 -3.078 -2.524 1.00 . A A . 3 VAL HB 1 1
10 1115 1 1 3 VAL HG11 H 10.828 -0.919 -3.847 1.00 . A A . 3 VAL HG11 1 1
10 1116 1 1 3 VAL HG12 H 10.871 -2.632 -4.270 1.00 . A A . 3 VAL HG12 1 1
10 1117 1 1 3 VAL HG13 H 9.627 -1.584 -4.953 1.00 . A A . 3 VAL HG13 1 1
10 1118 1 1 3 VAL HG21 H 8.896 -0.223 -1.964 1.00 . A A . 3 VAL HG21 1 1
10 1119 1 1 3 VAL HG22 H 9.233 -1.537 -0.837 1.00 . A A . 3 VAL HG22 1 1
10 1120 1 1 3 VAL HG23 H 10.551 -0.791 -1.742 1.00 . A A . 3 VAL HG23 1 1
10 1121 1 1 3 VAL N N 6.950 -2.382 -2.225 1.00 . A A . 3 VAL N 1 1
10 1122 1 1 3 VAL O O 8.171 -4.292 -4.282 1.00 . A A . 3 VAL O 1 1
10 1123 1 1 4 . C C 5.315 -3.581 -7.103 1.00 . A A . 4 DLE C 1 1
10 1124 1 1 4 . CA C 6.754 -3.730 -6.606 1.00 . A A . 4 DLE CA 1 1
10 1125 1 1 4 . CB C 7.806 -3.527 -7.698 1.00 . A A . 4 DLE CB 1 1
10 1126 1 1 4 . CD1 C 7.210 -2.060 -9.660 1.00 . A A . 4 DLE CD1 1 1
10 1127 1 1 4 . CD2 C 9.344 -1.640 -8.355 1.00 . A A . 4 DLE CD2 1 1
10 1128 1 1 4 . CG C 7.893 -2.120 -8.293 1.00 . A A . 4 DLE CG 1 1
10 1129 1 1 4 . H H 6.577 -1.902 -5.624 1.00 . A A . 4 DLE H 1 1
10 1130 1 1 4 . HA H 6.883 -4.741 -6.218 1.00 . A A . 4 DLE HA 1 1
10 1131 1 1 4 . HB2 H 7.602 -4.230 -8.506 1.00 . A A . 4 DLE HB2 1 1
10 1132 1 1 4 . HB3 H 8.782 -3.788 -7.288 1.00 . A A . 4 DLE HB3 1 1
10 1133 1 1 4 . HD11 H 6.413 -1.316 -9.636 1.00 . A A . 4 DLE HD11 1 1
10 1134 1 1 4 . HD12 H 6.788 -3.036 -9.899 1.00 . A A . 4 DLE HD12 1 1
10 1135 1 1 4 . HD13 H 7.941 -1.784 -10.420 1.00 . A A . 4 DLE HD13 1 1
10 1136 1 1 4 . HD21 H 10.013 -2.499 -8.313 1.00 . A A . 4 DLE HD21 1 1
10 1137 1 1 4 . HD22 H 9.545 -0.981 -7.511 1.00 . A A . 4 DLE HD22 1 1
10 1138 1 1 4 . HD23 H 9.507 -1.097 -9.286 1.00 . A A . 4 DLE HD23 1 1
10 1139 1 1 4 . HG H 7.356 -1.437 -7.634 1.00 . A A . 4 DLE HG 1 1
10 1140 1 1 4 . N N 6.980 -2.809 -5.505 1.00 . A A . 4 DLE N 1 1
10 1141 1 1 4 . O O 5.010 -3.757 -8.283 1.00 . A A . 4 DLE O 1 1
10 1142 1 1 5 TYR C C 2.842 -2.311 -7.794 1.00 . A A . 5 TYR C 1 1
10 1143 1 1 5 TYR CA C 3.017 -3.073 -6.484 1.00 . A A . 5 TYR CA 1 1
10 1144 1 1 5 TYR CB C 2.310 -2.329 -5.350 1.00 . A A . 5 TYR CB 1 1
10 1145 1 1 5 TYR CD1 C 0.742 -0.658 -6.410 1.00 . A A . 5 TYR CD1 1 1
10 1146 1 1 5 TYR CD2 C -0.203 -2.579 -5.360 1.00 . A A . 5 TYR CD2 1 1
10 1147 1 1 5 TYR CE1 C -0.523 -0.213 -6.744 1.00 . A A . 5 TYR CE1 1 1
10 1148 1 1 5 TYR CE2 C -1.471 -2.142 -5.691 1.00 . A A . 5 TYR CE2 1 1
10 1149 1 1 5 TYR CG C 0.924 -1.847 -5.714 1.00 . A A . 5 TYR CG 1 1
10 1150 1 1 5 TYR CZ C -1.626 -0.959 -6.383 1.00 . A A . 5 TYR CZ 1 1
10 1151 1 1 5 TYR H H 4.733 -3.124 -5.246 1.00 . A A . 5 TYR H 1 1
10 1152 1 1 5 TYR HA H 2.575 -4.053 -6.589 1.00 . A A . 5 TYR HA 1 1
10 1153 1 1 5 TYR HB2 H 2.219 -2.987 -4.499 1.00 . A A . 5 TYR HB2 1 1
10 1154 1 1 5 TYR HB3 H 2.899 -1.468 -5.071 1.00 . A A . 5 TYR HB3 1 1
10 1155 1 1 5 TYR HD1 H 1.607 -0.077 -6.691 1.00 . A A . 5 TYR HD1 1 1
10 1156 1 1 5 TYR HD2 H -0.078 -3.505 -4.818 1.00 . A A . 5 TYR HD2 1 1
10 1157 1 1 5 TYR HE1 H -0.645 0.713 -7.286 1.00 . A A . 5 TYR HE1 1 1
10 1158 1 1 5 TYR HE2 H -2.335 -2.725 -5.408 1.00 . A A . 5 TYR HE2 1 1
10 1159 1 1 5 TYR HH H -3.534 -1.180 -6.454 1.00 . A A . 5 TYR HH 1 1
10 1160 1 1 5 TYR N N 4.430 -3.250 -6.169 1.00 . A A . 5 TYR N 1 1
10 1161 1 1 5 TYR O O 3.536 -1.332 -8.070 1.00 . A A . 5 TYR O 1 1
10 1162 1 1 5 TYR OH O -2.887 -0.519 -6.714 1.00 . A A . 5 TYR OH 1 1
10 1163 1 1 6 PRO C C 1.849 -5.236 -8.333 1.00 . A A . 6 PRO C 1 1
10 1164 1 1 6 PRO CA C 1.058 -3.933 -8.303 1.00 . A A . 6 PRO CA 1 1
10 1165 1 1 6 PRO CB C -0.001 -3.925 -9.408 1.00 . A A . 6 PRO CB 1 1
10 1166 1 1 6 PRO CD C 1.554 -2.186 -9.931 1.00 . A A . 6 PRO CD 1 1
10 1167 1 1 6 PRO CG C 0.646 -3.213 -10.546 1.00 . A A . 6 PRO CG 1 1
10 1168 1 1 6 PRO HA H 0.578 -3.826 -7.341 1.00 . A A . 6 PRO HA 1 1
10 1169 1 1 6 PRO HB2 H -0.258 -4.941 -9.671 1.00 . A A . 6 PRO HB2 1 1
10 1170 1 1 6 PRO HB3 H -0.880 -3.402 -9.065 1.00 . A A . 6 PRO HB3 1 1
10 1171 1 1 6 PRO HD2 H 2.441 -2.056 -10.534 1.00 . A A . 6 PRO HD2 1 1
10 1172 1 1 6 PRO HD3 H 1.035 -1.246 -9.812 1.00 . A A . 6 PRO HD3 1 1
10 1173 1 1 6 PRO HG2 H 1.217 -3.912 -11.139 1.00 . A A . 6 PRO HG2 1 1
10 1174 1 1 6 PRO HG3 H -0.107 -2.732 -11.153 1.00 . A A . 6 PRO HG3 1 1
10 1175 1 1 6 PRO N N 1.891 -2.769 -8.621 1.00 . A A . 6 PRO N 1 1
10 1176 1 1 6 PRO O O 1.483 -6.210 -7.674 1.00 . A A . 6 PRO O 1 1
10 1177 1 1 7 TRP C C 4.712 -6.553 -8.016 1.00 . A A . 7 TRP C 1 1
10 1178 1 1 7 TRP CA C 3.776 -6.432 -9.213 1.00 . A A . 7 TRP CA 1 1
10 1179 1 1 7 TRP CB C 4.589 -6.382 -10.508 1.00 . A A . 7 TRP CB 1 1
10 1180 1 1 7 TRP CD1 C 4.761 -8.224 -12.281 1.00 . A A . 7 TRP CD1 1 1
10 1181 1 1 7 TRP CD2 C 2.714 -7.341 -12.067 1.00 . A A . 7 TRP CD2 1 1
10 1182 1 1 7 TRP CE2 C 2.673 -8.333 -13.066 1.00 . A A . 7 TRP CE2 1 1
10 1183 1 1 7 TRP CE3 C 1.541 -6.649 -11.757 1.00 . A A . 7 TRP CE3 1 1
10 1184 1 1 7 TRP CG C 4.059 -7.288 -11.578 1.00 . A A . 7 TRP CG 1 1
10 1185 1 1 7 TRP CH2 C 0.371 -7.954 -13.431 1.00 . A A . 7 TRP CH2 1 1
10 1186 1 1 7 TRP CZ2 C 1.505 -8.647 -13.755 1.00 . A A . 7 TRP CZ2 1 1
10 1187 1 1 7 TRP CZ3 C 0.382 -6.961 -12.442 1.00 . A A . 7 TRP CZ3 1 1
10 1188 1 1 7 TRP H H 3.174 -4.439 -9.600 1.00 . A A . 7 TRP H 1 1
10 1189 1 1 7 TRP HA H 3.130 -7.297 -9.239 1.00 . A A . 7 TRP HA 1 1
10 1190 1 1 7 TRP HB2 H 4.581 -5.373 -10.892 1.00 . A A . 7 TRP HB2 1 1
10 1191 1 1 7 TRP HB3 H 5.608 -6.675 -10.297 1.00 . A A . 7 TRP HB3 1 1
10 1192 1 1 7 TRP HD1 H 5.813 -8.426 -12.144 1.00 . A A . 7 TRP HD1 1 1
10 1193 1 1 7 TRP HE1 H 4.204 -9.568 -13.797 1.00 . A A . 7 TRP HE1 1 1
10 1194 1 1 7 TRP HE3 H 1.530 -5.880 -10.998 1.00 . A A . 7 TRP HE3 1 1
10 1195 1 1 7 TRP HH2 H -0.557 -8.164 -13.941 1.00 . A A . 7 TRP HH2 1 1
10 1196 1 1 7 TRP HZ2 H 1.480 -9.410 -14.520 1.00 . A A . 7 TRP HZ2 1 1
10 1197 1 1 7 TRP HZ3 H -0.534 -6.436 -12.217 1.00 . A A . 7 TRP HZ3 1 1
10 1198 1 1 7 TRP N N 2.934 -5.247 -9.099 1.00 . A A . 7 TRP N 1 1
10 1199 1 1 7 TRP NE1 N 3.934 -8.856 -13.178 1.00 . A A . 7 TRP NE1 1 1
10 1200 1 1 7 TRP O O 5.885 -6.186 -8.092 1.00 . A A . 7 TRP O 1 1
10 1201 1 1 8 CYS C C 5.691 -8.584 -5.693 1.00 . A A . 8 CYS C 1 1
10 1202 1 1 8 CYS CA C 4.975 -7.236 -5.695 1.00 . A A . 8 CYS CA 1 1
10 1203 1 1 8 CYS CB C 4.078 -7.122 -4.460 1.00 . A A . 8 CYS CB 1 1
10 1204 1 1 8 CYS H H 3.245 -7.342 -6.909 1.00 . A A . 8 CYS H 1 1
10 1205 1 1 8 CYS HA H 5.714 -6.450 -5.666 1.00 . A A . 8 CYS HA 1 1
10 1206 1 1 8 CYS HB2 H 3.087 -7.470 -4.711 1.00 . A A . 8 CYS HB2 1 1
10 1207 1 1 8 CYS HB3 H 4.483 -7.740 -3.672 1.00 . A A . 8 CYS HB3 1 1
10 1208 1 1 8 CYS N N 4.187 -7.068 -6.909 1.00 . A A . 8 CYS N 1 1
10 1209 1 1 8 CYS O O 6.108 -9.077 -6.741 1.00 . A A . 8 CYS O 1 1
10 1210 1 1 8 CYS SG S 3.921 -5.427 -3.810 1.00 . A A . 8 CYS SG 1 1
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