NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
568195 |
2m6f   |
19131 | cing | 4-filtered-FRED | STAR | entry | full | 47 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2m6f
# This FRED archive file contains, for PDB entry <2m6f>:
#
# - 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_2m6f
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2m6f
_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
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 QB . 2 CYSS QB 1 2
4 1 1 1 1 2 CYS H . 2 CYSS H 1 2
4 1 2 1 1 2 CYS HA . 2 CYSS HA 1 2
5 1 1 1 1 2 CYS H . 2 CYSS H 1 2
5 1 2 1 1 3 VAL H . 3 VAL H 1 2
6 1 1 1 1 2 CYS HA . 2 CYSS HA 1 2
6 1 2 1 1 3 VAL H . 3 VAL H 1 2
7 1 1 1 1 2 CYS QB . 2 CYSS QB 1 2
7 1 2 1 1 5 TYR QD . 5 TYR QD 1 2
8 1 1 1 1 2 CYS HA . 2 CYSS HA 1 2
8 1 2 1 1 5 TYR QD . 5 TYR QD 1 2
9 1 1 1 1 2 CYS HA . 2 CYSS HA 1 2
9 1 2 1 1 5 TYR QE . 5 TYR QE 1 2
10 1 1 1 1 3 VAL H . 3 VAL H 1 2
10 1 2 1 1 3 VAL HA . 3 VAL HA 1 2
11 1 1 1 1 3 VAL H . 3 VAL H 1 2
11 1 2 1 1 3 VAL HB . 3 VAL HB 1 2
12 1 1 1 1 3 VAL H . 3 VAL H 1 2
12 1 2 1 1 3 VAL QG . 3 VAL QQG 1 2
13 1 1 1 1 3 VAL HA . 3 VAL HA 1 2
13 1 2 1 1 3 VAL HB . 3 VAL HB 1 2
14 1 1 1 1 3 VAL HA . 3 VAL HA 1 2
14 1 2 1 1 3 VAL QG . 3 VAL QQG 1 2
15 1 1 1 1 5 TYR H . 5 TYR H 1 2
15 1 2 1 1 5 TYR HA . 5 TYR HA 1 2
16 1 1 1 1 5 TYR HA . 5 TYR HA 1 2
16 1 2 1 1 5 TYR QD . 5 TYR QD 1 2
17 1 1 1 1 5 TYR H . 5 TYR H 1 2
17 1 2 1 1 5 TYR QD . 5 TYR QD 1 2
18 1 1 1 1 5 TYR QB . 5 TYR QB 1 2
18 1 2 1 1 5 TYR QE . 5 TYR QE 1 2
19 1 1 1 1 5 TYR HA . 5 TYR HA 1 2
19 1 2 1 1 5 TYR QE . 5 TYR QE 1 2
20 1 1 1 1 2 CYS H . 2 CYSS H 1 2
20 1 2 1 1 6 PRO HA . 6 PRO HA 1 2
21 1 1 1 1 5 TYR HA . 5 TYR HA 1 2
21 1 2 1 1 6 PRO QD . 6 PRO QD 1 2
22 1 1 1 1 6 PRO HA . 6 PRO HA 1 2
22 1 2 1 1 7 TRP H . 7 TRP H 1 2
23 1 1 1 1 6 PRO HA . 6 PRO HA 1 2
23 1 2 1 1 8 CYS H . 8 CYSS H 1 2
24 1 1 1 1 6 PRO QB . 6 PRO QB 1 2
24 1 2 1 1 7 TRP H . 7 TRP H 1 2
25 1 1 1 1 6 PRO QG . 6 PRO QG 1 2
25 1 2 1 1 7 TRP H . 7 TRP H 1 2
26 1 1 1 1 6 PRO QB . 6 PRO QB 1 2
26 1 2 1 1 7 TRP HE3 . 7 TRP HE3 1 2
27 1 1 1 1 6 PRO QG . 6 PRO QG 1 2
27 1 2 1 1 7 TRP HE3 . 7 TRP HE3 1 2
28 1 1 1 1 7 TRP H . 7 TRP H 1 2
28 1 2 1 1 7 TRP HE3 . 7 TRP HE3 1 2
29 1 1 1 1 7 TRP HA . 7 TRP HA 1 2
29 1 2 1 1 7 TRP QB . 7 TRP QB 1 2
30 1 1 1 1 7 TRP H . 7 TRP H 1 2
30 1 2 1 1 7 TRP HA . 7 TRP HA 1 2
31 1 1 1 1 7 TRP HA . 7 TRP HA 1 2
31 1 2 1 1 8 CYS H . 8 CYSS H 1 2
32 1 1 1 1 6 PRO QG . 6 PRO QG 1 2
32 1 2 1 1 7 TRP HZ3 . 7 TRP HZ3 1 2
33 1 1 1 1 7 TRP H . 7 TRP H 1 2
33 1 2 1 1 8 CYS H . 8 CYSS H 1 2
34 1 1 1 1 8 CYS H . 8 CYSS H 1 2
34 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 . . . . . . . 3.0 1 2
5 1 . . . . . . . 4.0 1 2
6 1 . . . . . . . 2.4 1 2
7 1 . . . . . . . 4.0 1 2
8 1 . . . . . . . 4.0 1 2
9 1 . . . . . . . 5.0 1 2
10 1 . . . . . . . 3.0 1 2
11 1 . . . . . . . 3.5 1 2
12 1 . . . . . . . 3.5 1 2
13 1 . . . . . . . 2.5 1 2
14 1 . . . . . . . 3.0 1 2
15 1 . . . . . . . 3.0 1 2
16 1 . . . . . . . 3.0 1 2
17 1 . . . . . . . 4.5 1 2
18 1 . . . . . . . 4.5 1 2
19 1 . . . . . . . 5.0 1 2
20 1 . . . . . . . 4.5 1 2
21 1 . . . . . . . 2.4 1 2
22 1 . . . . . . . 3.5 1 2
23 1 . . . . . . . 4.0 1 2
24 1 . . . . . . . 4.2 1 2
25 1 . . . . . . . 4.2 1 2
26 1 . . . . . . . 4.5 1 2
27 1 . . . . . . . 4.0 1 2
28 1 . . . . . . . 3.0 1 2
29 1 . . . . . . . 2.4 1 2
30 1 . . . . . . . 3.0 1 2
31 1 . . . . . . . 3.0 1 2
32 1 . . . . . . . 5.0 1 2
33 1 . . . . . . . 3.1 1 2
34 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
3 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 5 TYR O . 5 TYR O 1 3
1 1 2 1 1 8 CYS N . 8 CYSS N 1 3
2 1 1 1 1 2 CYS O . 2 CYSS O 1 3
2 1 2 1 1 5 TYR H . 5 TYR H 1 3
3 1 1 1 1 2 CYS O . 2 CYSS O 1 3
3 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 . . . . . . . 3.2 1 3
2 1 . . . . . . . 2.2 1 3
3 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 -150.0 -89.99999 . 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 -89.99999 -30.0 . 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 -150.0 -89.99999 . 7 TRP . . 7 TRP . . 7 TRP . . 7 TRP . 1 1
4 CHI1 1 1 7 TRP N 1 1 7 TRP CA 1 1 7 TRP CB 1 1 7 TRP CG 30.0 89.99999 . 7 TRP . . 7 TRP . . 7 TRP . . 7 TRP . 1 1
5 PHI 1 1 7 TRP C 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C -150.0 -89.99999 . 8 CYSS . . 8 CYSS . . 8 CYSS . . 8 CYSS . 1 1
6 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 3.540 0.320 -1.048 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 1.984 -0.972 -1.706 1.00 . A A . 1 GLY HA2 1 1
1 5 1 1 1 GLY HA3 H 1.641 0.739 -1.908 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 3.973 0.619 0.065 1.00 . A A . 1 GLY O 1 1
1 8 1 1 2 CYS C C 6.095 1.732 -2.947 1.00 . A A . 2 CYS C 1 1
1 9 1 1 2 CYS CA C 5.739 0.536 -2.069 1.00 . A A . 2 CYS CA 1 1
1 10 1 1 2 CYS CB C 6.541 -0.691 -2.510 1.00 . A A . 2 CYS CB 1 1
1 11 1 1 2 CYS H H 3.907 0.010 -2.990 1.00 . A A . 2 CYS H 1 1
1 12 1 1 2 CYS HA H 5.989 0.769 -1.045 1.00 . A A . 2 CYS HA 1 1
1 13 1 1 2 CYS HB2 H 5.965 -1.246 -3.236 1.00 . A A . 2 CYS HB2 1 1
1 14 1 1 2 CYS HB3 H 7.464 -0.363 -2.964 1.00 . A A . 2 CYS HB3 1 1
1 15 1 1 2 CYS N N 4.310 0.254 -2.129 1.00 . A A . 2 CYS N 1 1
1 16 1 1 2 CYS O O 6.561 1.571 -4.075 1.00 . A A . 2 CYS O 1 1
1 17 1 1 2 CYS SG S 6.963 -1.830 -1.152 1.00 . A A . 2 CYS SG 1 1
1 18 1 1 3 VAL C C 7.630 4.193 -3.593 1.00 . A A . 3 VAL C 1 1
1 19 1 1 3 VAL CA C 6.170 4.156 -3.155 1.00 . A A . 3 VAL CA 1 1
1 20 1 1 3 VAL CB C 5.868 5.407 -2.308 1.00 . A A . 3 VAL CB 1 1
1 21 1 1 3 VAL CG1 C 4.367 5.609 -2.171 1.00 . A A . 3 VAL CG1 1 1
1 22 1 1 3 VAL CG2 C 6.526 5.295 -0.941 1.00 . A A . 3 VAL CG2 1 1
1 23 1 1 3 VAL H H 5.499 2.996 -1.517 1.00 . A A . 3 VAL H 1 1
1 24 1 1 3 VAL HA H 5.540 4.181 -4.033 1.00 . A A . 3 VAL HA 1 1
1 25 1 1 3 VAL HB H 6.280 6.267 -2.814 1.00 . A A . 3 VAL HB 1 1
1 26 1 1 3 VAL HG11 H 3.997 6.152 -3.029 1.00 . A A . 3 VAL HG11 1 1
1 27 1 1 3 VAL HG12 H 3.877 4.648 -2.114 1.00 . A A . 3 VAL HG12 1 1
1 28 1 1 3 VAL HG13 H 4.160 6.172 -1.273 1.00 . A A . 3 VAL HG13 1 1
1 29 1 1 3 VAL HG21 H 5.764 5.235 -0.179 1.00 . A A . 3 VAL HG21 1 1
1 30 1 1 3 VAL HG22 H 7.140 4.406 -0.908 1.00 . A A . 3 VAL HG22 1 1
1 31 1 1 3 VAL HG23 H 7.143 6.164 -0.767 1.00 . A A . 3 VAL HG23 1 1
1 32 1 1 3 VAL N N 5.872 2.932 -2.421 1.00 . A A . 3 VAL N 1 1
1 33 1 1 3 VAL O O 8.516 4.166 -2.740 1.00 . A A . 3 VAL O 1 1
1 34 1 1 4 . C C 9.590 2.897 -5.922 1.00 . A A . 4 DLE C 1 1
1 35 1 1 4 . CA C 9.199 4.292 -5.431 1.00 . A A . 4 DLE CA 1 1
1 36 1 1 4 . CB C 9.321 5.378 -6.502 1.00 . A A . 4 DLE CB 1 1
1 37 1 1 4 . CD1 C 7.971 7.504 -6.647 1.00 . A A . 4 DLE CD1 1 1
1 38 1 1 4 . CD2 C 10.476 7.606 -6.256 1.00 . A A . 4 DLE CD2 1 1
1 39 1 1 4 . CG C 9.185 6.821 -6.013 1.00 . A A . 4 DLE CG 1 1
1 40 1 1 4 . H H 7.121 4.273 -5.586 1.00 . A A . 4 DLE H 1 1
1 41 1 1 4 . HA H 9.864 4.570 -4.614 1.00 . A A . 4 DLE HA 1 1
1 42 1 1 4 . HB2 H 8.558 5.200 -7.261 1.00 . A A . 4 DLE HB2 1 1
1 43 1 1 4 . HB3 H 10.289 5.271 -6.992 1.00 . A A . 4 DLE HB3 1 1
1 44 1 1 4 . HD11 H 7.663 8.345 -6.026 1.00 . A A . 4 DLE HD11 1 1
1 45 1 1 4 . HD12 H 7.152 6.789 -6.723 1.00 . A A . 4 DLE HD12 1 1
1 46 1 1 4 . HD13 H 8.235 7.863 -7.642 1.00 . A A . 4 DLE HD13 1 1
1 47 1 1 4 . HD21 H 10.645 7.704 -7.328 1.00 . A A . 4 DLE HD21 1 1
1 48 1 1 4 . HD22 H 11.314 7.077 -5.803 1.00 . A A . 4 DLE HD22 1 1
1 49 1 1 4 . HD23 H 10.388 8.597 -5.810 1.00 . A A . 4 DLE HD23 1 1
1 50 1 1 4 . HG H 9.018 6.803 -4.936 1.00 . A A . 4 DLE HG 1 1
1 51 1 1 4 . N N 7.847 4.252 -4.899 1.00 . A A . 4 DLE N 1 1
1 52 1 1 4 . O O 10.274 2.729 -6.932 1.00 . A A . 4 DLE O 1 1
1 53 1 1 5 TYR C C 8.159 -0.228 -5.944 1.00 . A A . 5 TYR C 1 1
1 54 1 1 5 TYR CA C 9.427 0.504 -5.515 1.00 . A A . 5 TYR CA 1 1
1 55 1 1 5 TYR CB C 10.061 -0.210 -4.319 1.00 . A A . 5 TYR CB 1 1
1 56 1 1 5 TYR CD1 C 12.230 0.954 -3.756 1.00 . A A . 5 TYR CD1 1 1
1 57 1 1 5 TYR CD2 C 10.362 1.299 -2.317 1.00 . A A . 5 TYR CD2 1 1
1 58 1 1 5 TYR CE1 C 13.001 1.782 -2.963 1.00 . A A . 5 TYR CE1 1 1
1 59 1 1 5 TYR CE2 C 11.125 2.130 -1.518 1.00 . A A . 5 TYR CE2 1 1
1 60 1 1 5 TYR CG C 10.900 0.698 -3.448 1.00 . A A . 5 TYR CG 1 1
1 61 1 1 5 TYR CZ C 12.443 2.367 -1.845 1.00 . A A . 5 TYR CZ 1 1
1 62 1 1 5 TYR H H 8.598 2.090 -4.386 1.00 . A A . 5 TYR H 1 1
1 63 1 1 5 TYR HA H 10.128 0.500 -6.337 1.00 . A A . 5 TYR HA 1 1
1 64 1 1 5 TYR HB2 H 9.281 -0.630 -3.704 1.00 . A A . 5 TYR HB2 1 1
1 65 1 1 5 TYR HB3 H 10.697 -1.005 -4.680 1.00 . A A . 5 TYR HB3 1 1
1 66 1 1 5 TYR HD1 H 12.664 0.494 -4.633 1.00 . A A . 5 TYR HD1 1 1
1 67 1 1 5 TYR HD2 H 9.329 1.111 -2.064 1.00 . A A . 5 TYR HD2 1 1
1 68 1 1 5 TYR HE1 H 14.033 1.969 -3.219 1.00 . A A . 5 TYR HE1 1 1
1 69 1 1 5 TYR HE2 H 10.689 2.588 -0.643 1.00 . A A . 5 TYR HE2 1 1
1 70 1 1 5 TYR HH H 13.048 2.987 -0.129 1.00 . A A . 5 TYR HH 1 1
1 71 1 1 5 TYR N N 9.138 1.893 -5.180 1.00 . A A . 5 TYR N 1 1
1 72 1 1 5 TYR O O 7.555 -0.979 -5.178 1.00 . A A . 5 TYR O 1 1
1 73 1 1 5 TYR OH O 13.207 3.194 -1.053 1.00 . A A . 5 TYR OH 1 1
1 74 1 1 6 PRO C C 6.729 -2.134 -7.983 1.00 . A A . 6 PRO C 1 1
1 75 1 1 6 PRO CA C 6.548 -0.636 -7.763 1.00 . A A . 6 PRO CA 1 1
1 76 1 1 6 PRO CB C 6.365 0.083 -9.102 1.00 . A A . 6 PRO CB 1 1
1 77 1 1 6 PRO CD C 8.418 0.876 -8.170 1.00 . A A . 6 PRO CD 1 1
1 78 1 1 6 PRO CG C 7.729 0.556 -9.468 1.00 . A A . 6 PRO CG 1 1
1 79 1 1 6 PRO HA H 5.682 -0.467 -7.140 1.00 . A A . 6 PRO HA 1 1
1 80 1 1 6 PRO HB2 H 5.976 -0.610 -9.835 1.00 . A A . 6 PRO HB2 1 1
1 81 1 1 6 PRO HB3 H 5.680 0.908 -8.981 1.00 . A A . 6 PRO HB3 1 1
1 82 1 1 6 PRO HD2 H 9.471 0.646 -8.235 1.00 . A A . 6 PRO HD2 1 1
1 83 1 1 6 PRO HD3 H 8.272 1.914 -7.911 1.00 . A A . 6 PRO HD3 1 1
1 84 1 1 6 PRO HG2 H 8.260 -0.223 -9.992 1.00 . A A . 6 PRO HG2 1 1
1 85 1 1 6 PRO HG3 H 7.657 1.442 -10.082 1.00 . A A . 6 PRO HG3 1 1
1 86 1 1 6 PRO N N 7.746 -0.006 -7.201 1.00 . A A . 6 PRO N 1 1
1 87 1 1 6 PRO O O 5.783 -2.837 -8.340 1.00 . A A . 6 PRO O 1 1
1 88 1 1 7 TRP C C 8.157 -4.776 -6.615 1.00 . A A . 7 TRP C 1 1
1 89 1 1 7 TRP CA C 8.252 -4.031 -7.942 1.00 . A A . 7 TRP CA 1 1
1 90 1 1 7 TRP CB C 9.649 -4.204 -8.540 1.00 . A A . 7 TRP CB 1 1
1 91 1 1 7 TRP CD1 C 11.327 -4.023 -6.611 1.00 . A A . 7 TRP CD1 1 1
1 92 1 1 7 TRP CD2 C 11.325 -2.264 -7.998 1.00 . A A . 7 TRP CD2 1 1
1 93 1 1 7 TRP CE2 C 12.283 -2.041 -6.990 1.00 . A A . 7 TRP CE2 1 1
1 94 1 1 7 TRP CE3 C 11.147 -1.292 -8.986 1.00 . A A . 7 TRP CE3 1 1
1 95 1 1 7 TRP CG C 10.725 -3.538 -7.737 1.00 . A A . 7 TRP CG 1 1
1 96 1 1 7 TRP CH2 C 12.864 0.050 -7.923 1.00 . A A . 7 TRP CH2 1 1
1 97 1 1 7 TRP CZ2 C 13.058 -0.885 -6.943 1.00 . A A . 7 TRP CZ2 1 1
1 98 1 1 7 TRP CZ3 C 11.917 -0.146 -8.938 1.00 . A A . 7 TRP CZ3 1 1
1 99 1 1 7 TRP H H 8.660 -2.005 -7.484 1.00 . A A . 7 TRP H 1 1
1 100 1 1 7 TRP HA H 7.524 -4.444 -8.626 1.00 . A A . 7 TRP HA 1 1
1 101 1 1 7 TRP HB2 H 9.881 -5.257 -8.599 1.00 . A A . 7 TRP HB2 1 1
1 102 1 1 7 TRP HB3 H 9.662 -3.780 -9.533 1.00 . A A . 7 TRP HB3 1 1
1 103 1 1 7 TRP HD1 H 11.088 -4.972 -6.155 1.00 . A A . 7 TRP HD1 1 1
1 104 1 1 7 TRP HE1 H 12.829 -3.249 -5.364 1.00 . A A . 7 TRP HE1 1 1
1 105 1 1 7 TRP HE3 H 10.423 -1.425 -9.776 1.00 . A A . 7 TRP HE3 1 1
1 106 1 1 7 TRP HH2 H 13.442 0.961 -7.925 1.00 . A A . 7 TRP HH2 1 1
1 107 1 1 7 TRP HZ2 H 13.792 -0.720 -6.168 1.00 . A A . 7 TRP HZ2 1 1
1 108 1 1 7 TRP HZ3 H 11.794 0.617 -9.693 1.00 . A A . 7 TRP HZ3 1 1
1 109 1 1 7 TRP N N 7.948 -2.616 -7.768 1.00 . A A . 7 TRP N 1 1
1 110 1 1 7 TRP NE1 N 12.264 -3.127 -6.156 1.00 . A A . 7 TRP NE1 1 1
1 111 1 1 7 TRP O O 8.869 -5.756 -6.389 1.00 . A A . 7 TRP O 1 1
1 112 1 1 8 CYS C C 6.046 -6.040 -4.506 1.00 . A A . 8 CYS C 1 1
1 113 1 1 8 CYS CA C 7.088 -4.928 -4.434 1.00 . A A . 8 CYS CA 1 1
1 114 1 1 8 CYS CB C 6.661 -3.880 -3.404 1.00 . A A . 8 CYS CB 1 1
1 115 1 1 8 CYS H H 6.736 -3.522 -5.977 1.00 . A A . 8 CYS H 1 1
1 116 1 1 8 CYS HA H 8.031 -5.354 -4.131 1.00 . A A . 8 CYS HA 1 1
1 117 1 1 8 CYS HB2 H 6.087 -3.111 -3.900 1.00 . A A . 8 CYS HB2 1 1
1 118 1 1 8 CYS HB3 H 6.045 -4.354 -2.654 1.00 . A A . 8 CYS HB3 1 1
1 119 1 1 8 CYS N N 7.275 -4.306 -5.739 1.00 . A A . 8 CYS N 1 1
1 120 1 1 8 CYS O O 6.378 -7.200 -4.751 1.00 . A A . 8 CYS O 1 1
1 121 1 1 8 CYS SG S 8.050 -3.068 -2.550 1.00 . A A . 8 CYS SG 1 1
2 122 1 1 1 GLY C C 3.562 0.274 -1.004 1.00 . A A . 1 GLY C 1 1
2 123 1 1 1 GLY CA C 2.094 -0.051 -1.197 1.00 . A A . 1 GLY CA 1 1
2 124 1 1 1 GLY H1 H 0.614 1.009 -0.115 1.00 . A A . 1 GLY H1 1 1
2 125 1 1 1 GLY HA2 H 1.834 -0.885 -0.564 1.00 . A A . 1 GLY HA2 1 1
2 126 1 1 1 GLY HA3 H 1.932 -0.331 -2.228 1.00 . A A . 1 GLY HA3 1 1
2 127 1 1 1 GLY N N 1.230 1.070 -0.875 1.00 . A A . 1 GLY N 1 1
2 128 1 1 1 GLY O O 3.998 0.573 0.108 1.00 . A A . 1 GLY O 1 1
2 129 1 1 2 CYS C C 6.102 1.703 -2.910 1.00 . A A . 2 CYS C 1 1
2 130 1 1 2 CYS CA C 5.755 0.503 -2.033 1.00 . A A . 2 CYS CA 1 1
2 131 1 1 2 CYS CB C 6.561 -0.719 -2.480 1.00 . A A . 2 CYS CB 1 1
2 132 1 1 2 CYS H H 3.922 -0.030 -2.947 1.00 . A A . 2 CYS H 1 1
2 133 1 1 2 CYS HA H 6.008 0.735 -1.010 1.00 . A A . 2 CYS HA 1 1
2 134 1 1 2 CYS HB2 H 5.984 -1.275 -3.205 1.00 . A A . 2 CYS HB2 1 1
2 135 1 1 2 CYS HB3 H 7.481 -0.386 -2.938 1.00 . A A . 2 CYS HB3 1 1
2 136 1 1 2 CYS N N 4.327 0.215 -2.088 1.00 . A A . 2 CYS N 1 1
2 137 1 1 2 CYS O O 6.563 1.546 -4.041 1.00 . A A . 2 CYS O 1 1
2 138 1 1 2 CYS SG S 6.994 -1.859 -1.126 1.00 . A A . 2 CYS SG 1 1
2 139 1 1 3 VAL C C 7.625 4.171 -3.557 1.00 . A A . 3 VAL C 1 1
2 140 1 1 3 VAL CA C 6.167 4.127 -3.113 1.00 . A A . 3 VAL CA 1 1
2 141 1 1 3 VAL CB C 5.863 5.375 -2.262 1.00 . A A . 3 VAL CB 1 1
2 142 1 1 3 VAL CG1 C 4.361 5.570 -2.117 1.00 . A A . 3 VAL CG1 1 1
2 143 1 1 3 VAL CG2 C 6.528 5.263 -0.898 1.00 . A A . 3 VAL CG2 1 1
2 144 1 1 3 VAL H H 5.508 2.961 -1.474 1.00 . A A . 3 VAL H 1 1
2 145 1 1 3 VAL HA H 5.533 4.151 -3.988 1.00 . A A . 3 VAL HA 1 1
2 146 1 1 3 VAL HB H 6.269 6.238 -2.767 1.00 . A A . 3 VAL HB 1 1
2 147 1 1 3 VAL HG11 H 3.997 6.174 -2.936 1.00 . A A . 3 VAL HG11 1 1
2 148 1 1 3 VAL HG12 H 3.870 4.608 -2.131 1.00 . A A . 3 VAL HG12 1 1
2 149 1 1 3 VAL HG13 H 4.151 6.068 -1.182 1.00 . A A . 3 VAL HG13 1 1
2 150 1 1 3 VAL HG21 H 5.769 5.204 -0.132 1.00 . A A . 3 VAL HG21 1 1
2 151 1 1 3 VAL HG22 H 7.141 4.374 -0.867 1.00 . A A . 3 VAL HG22 1 1
2 152 1 1 3 VAL HG23 H 7.146 6.132 -0.726 1.00 . A A . 3 VAL HG23 1 1
2 153 1 1 3 VAL N N 5.877 2.901 -2.380 1.00 . A A . 3 VAL N 1 1
2 154 1 1 3 VAL O O 8.514 4.147 -2.707 1.00 . A A . 3 VAL O 1 1
2 155 1 1 4 . C C 9.581 2.889 -5.897 1.00 . A A . 4 DLE C 1 1
2 156 1 1 4 . CA C 9.185 4.282 -5.401 1.00 . A A . 4 DLE CA 1 1
2 157 1 1 4 . CB C 9.298 5.370 -6.470 1.00 . A A . 4 DLE CB 1 1
2 158 1 1 4 . CD1 C 7.939 7.490 -6.605 1.00 . A A . 4 DLE CD1 1 1
2 159 1 1 4 . CD2 C 10.444 7.603 -6.223 1.00 . A A . 4 DLE CD2 1 1
2 160 1 1 4 . CG C 9.158 6.812 -5.977 1.00 . A A . 4 DLE CG 1 1
2 161 1 1 4 . H H 7.107 4.254 -5.547 1.00 . A A . 4 DLE H 1 1
2 162 1 1 4 . HA H 9.853 4.561 -4.586 1.00 . A A . 4 DLE HA 1 1
2 163 1 1 4 . HB2 H 8.533 5.190 -7.226 1.00 . A A . 4 DLE HB2 1 1
2 164 1 1 4 . HB3 H 10.264 5.268 -6.964 1.00 . A A . 4 DLE HB3 1 1
2 165 1 1 4 . HD11 H 7.033 6.967 -6.298 1.00 . A A . 4 DLE HD11 1 1
2 166 1 1 4 . HD12 H 8.025 7.460 -7.692 1.00 . A A . 4 DLE HD12 1 1
2 167 1 1 4 . HD13 H 7.889 8.527 -6.274 1.00 . A A . 4 DLE HD13 1 1
2 168 1 1 4 . HD21 H 10.473 8.466 -5.559 1.00 . A A . 4 DLE HD21 1 1
2 169 1 1 4 . HD22 H 10.470 7.941 -7.259 1.00 . A A . 4 DLE HD22 1 1
2 170 1 1 4 . HD23 H 11.306 6.965 -6.028 1.00 . A A . 4 DLE HD23 1 1
2 171 1 1 4 . HG H 8.994 6.790 -4.900 1.00 . A A . 4 DLE HG 1 1
2 172 1 1 4 . N N 7.836 4.235 -4.863 1.00 . A A . 4 DLE N 1 1
2 173 1 1 4 . O O 10.261 2.726 -6.910 1.00 . A A . 4 DLE O 1 1
2 174 1 1 5 TYR C C 8.163 -0.242 -5.920 1.00 . A A . 5 TYR C 1 1
2 175 1 1 5 TYR CA C 9.429 0.494 -5.494 1.00 . A A . 5 TYR CA 1 1
2 176 1 1 5 TYR CB C 10.071 -0.219 -4.303 1.00 . A A . 5 TYR CB 1 1
2 177 1 1 5 TYR CD1 C 12.237 0.954 -3.747 1.00 . A A . 5 TYR CD1 1 1
2 178 1 1 5 TYR CD2 C 10.375 1.285 -2.297 1.00 . A A . 5 TYR CD2 1 1
2 179 1 1 5 TYR CE1 C 13.008 1.783 -2.955 1.00 . A A . 5 TYR CE1 1 1
2 180 1 1 5 TYR CE2 C 11.137 2.117 -1.500 1.00 . A A . 5 TYR CE2 1 1
2 181 1 1 5 TYR CG C 10.910 0.690 -3.433 1.00 . A A . 5 TYR CG 1 1
2 182 1 1 5 TYR CZ C 12.453 2.363 -1.833 1.00 . A A . 5 TYR CZ 1 1
2 183 1 1 5 TYR H H 8.597 2.075 -4.359 1.00 . A A . 5 TYR H 1 1
2 184 1 1 5 TYR HA H 10.127 0.495 -6.319 1.00 . A A . 5 TYR HA 1 1
2 185 1 1 5 TYR HB2 H 9.295 -0.644 -3.685 1.00 . A A . 5 TYR HB2 1 1
2 186 1 1 5 TYR HB3 H 10.709 -1.011 -4.667 1.00 . A A . 5 TYR HB3 1 1
2 187 1 1 5 TYR HD1 H 12.669 0.499 -4.627 1.00 . A A . 5 TYR HD1 1 1
2 188 1 1 5 TYR HD2 H 9.344 1.089 -2.038 1.00 . A A . 5 TYR HD2 1 1
2 189 1 1 5 TYR HE1 H 14.038 1.977 -3.215 1.00 . A A . 5 TYR HE1 1 1
2 190 1 1 5 TYR HE2 H 10.703 2.570 -0.621 1.00 . A A . 5 TYR HE2 1 1
2 191 1 1 5 TYR HH H 13.953 3.532 -1.552 1.00 . A A . 5 TYR HH 1 1
2 192 1 1 5 TYR N N 9.135 1.882 -5.155 1.00 . A A . 5 TYR N 1 1
2 193 1 1 5 TYR O O 7.565 -0.997 -5.153 1.00 . A A . 5 TYR O 1 1
2 194 1 1 5 TYR OH O 13.216 3.190 -1.041 1.00 . A A . 5 TYR OH 1 1
2 195 1 1 6 PRO C C 6.733 -2.150 -7.957 1.00 . A A . 6 PRO C 1 1
2 196 1 1 6 PRO CA C 6.546 -0.653 -7.733 1.00 . A A . 6 PRO CA 1 1
2 197 1 1 6 PRO CB C 6.354 0.068 -9.070 1.00 . A A . 6 PRO CB 1 1
2 198 1 1 6 PRO CD C 8.408 0.868 -8.144 1.00 . A A . 6 PRO CD 1 1
2 199 1 1 6 PRO CG C 7.715 0.548 -9.440 1.00 . A A . 6 PRO CG 1 1
2 200 1 1 6 PRO HA H 5.681 -0.489 -7.107 1.00 . A A . 6 PRO HA 1 1
2 201 1 1 6 PRO HB2 H 5.966 -0.625 -9.803 1.00 . A A . 6 PRO HB2 1 1
2 202 1 1 6 PRO HB3 H 5.666 0.890 -8.944 1.00 . A A . 6 PRO HB3 1 1
2 203 1 1 6 PRO HD2 H 9.462 0.643 -8.215 1.00 . A A . 6 PRO HD2 1 1
2 204 1 1 6 PRO HD3 H 8.258 1.905 -7.882 1.00 . A A . 6 PRO HD3 1 1
2 205 1 1 6 PRO HG2 H 8.247 -0.228 -9.968 1.00 . A A . 6 PRO HG2 1 1
2 206 1 1 6 PRO HG3 H 7.637 1.435 -10.052 1.00 . A A . 6 PRO HG3 1 1
2 207 1 1 6 PRO N N 7.744 -0.019 -7.175 1.00 . A A . 6 PRO N 1 1
2 208 1 1 6 PRO O O 5.789 -2.856 -8.312 1.00 . A A . 6 PRO O 1 1
2 209 1 1 7 TRP C C 8.178 -4.789 -6.601 1.00 . A A . 7 TRP C 1 1
2 210 1 1 7 TRP CA C 8.264 -4.041 -7.927 1.00 . A A . 7 TRP CA 1 1
2 211 1 1 7 TRP CB C 9.659 -4.206 -8.531 1.00 . A A . 7 TRP CB 1 1
2 212 1 1 7 TRP CD1 C 11.336 -4.020 -6.601 1.00 . A A . 7 TRP CD1 1 1
2 213 1 1 7 TRP CD2 C 11.338 -2.267 -7.995 1.00 . A A . 7 TRP CD2 1 1
2 214 1 1 7 TRP CE2 C 12.297 -2.041 -6.988 1.00 . A A . 7 TRP CE2 1 1
2 215 1 1 7 TRP CE3 C 11.163 -1.298 -8.987 1.00 . A A . 7 TRP CE3 1 1
2 216 1 1 7 TRP CG C 10.736 -3.538 -7.730 1.00 . A A . 7 TRP CG 1 1
2 217 1 1 7 TRP CH2 C 12.881 0.045 -7.929 1.00 . A A . 7 TRP CH2 1 1
2 218 1 1 7 TRP CZ2 C 13.074 -0.887 -6.945 1.00 . A A . 7 TRP CZ2 1 1
2 219 1 1 7 TRP CZ3 C 11.935 -0.153 -8.943 1.00 . A A . 7 TRP CZ3 1 1
2 220 1 1 7 TRP H H 8.665 -2.013 -7.466 1.00 . A A . 7 TRP H 1 1
2 221 1 1 7 TRP HA H 7.535 -4.455 -8.608 1.00 . A A . 7 TRP HA 1 1
2 222 1 1 7 TRP HB2 H 9.895 -5.258 -8.595 1.00 . A A . 7 TRP HB2 1 1
2 223 1 1 7 TRP HB3 H 9.667 -3.778 -9.523 1.00 . A A . 7 TRP HB3 1 1
2 224 1 1 7 TRP HD1 H 11.096 -4.967 -6.142 1.00 . A A . 7 TRP HD1 1 1
2 225 1 1 7 TRP HE1 H 12.839 -3.244 -5.357 1.00 . A A . 7 TRP HE1 1 1
2 226 1 1 7 TRP HE3 H 10.439 -1.433 -9.777 1.00 . A A . 7 TRP HE3 1 1
2 227 1 1 7 TRP HH2 H 13.461 0.954 -7.934 1.00 . A A . 7 TRP HH2 1 1
2 228 1 1 7 TRP HZ2 H 13.807 -0.720 -6.170 1.00 . A A . 7 TRP HZ2 1 1
2 229 1 1 7 TRP HZ3 H 11.813 0.607 -9.701 1.00 . A A . 7 TRP HZ3 1 1
2 230 1 1 7 TRP N N 7.954 -2.627 -7.748 1.00 . A A . 7 TRP N 1 1
2 231 1 1 7 TRP NE1 N 12.275 -3.124 -6.150 1.00 . A A . 7 TRP NE1 1 1
2 232 1 1 7 TRP O O 8.895 -5.765 -6.380 1.00 . A A . 7 TRP O 1 1
2 233 1 1 8 CYS C C 6.081 -6.067 -4.485 1.00 . A A . 8 CYS C 1 1
2 234 1 1 8 CYS CA C 7.118 -4.950 -4.416 1.00 . A A . 8 CYS CA 1 1
2 235 1 1 8 CYS CB C 6.691 -3.906 -3.381 1.00 . A A . 8 CYS CB 1 1
2 236 1 1 8 CYS H H 6.755 -3.542 -5.954 1.00 . A A . 8 CYS H 1 1
2 237 1 1 8 CYS HA H 8.065 -5.373 -4.117 1.00 . A A . 8 CYS HA 1 1
2 238 1 1 8 CYS HB2 H 6.111 -3.139 -3.874 1.00 . A A . 8 CYS HB2 1 1
2 239 1 1 8 CYS HB3 H 6.081 -4.384 -2.630 1.00 . A A . 8 CYS HB3 1 1
2 240 1 1 8 CYS N N 7.298 -4.325 -5.720 1.00 . A A . 8 CYS N 1 1
2 241 1 1 8 CYS O O 6.260 -7.048 -5.208 1.00 . A A . 8 CYS O 1 1
2 242 1 1 8 CYS SG S 8.080 -3.089 -2.532 1.00 . A A . 8 CYS SG 1 1
3 243 1 1 1 GLY C C 3.553 0.227 -1.036 1.00 . A A . 1 GLY C 1 1
3 244 1 1 1 GLY CA C 2.085 -0.095 -1.236 1.00 . A A . 1 GLY CA 1 1
3 245 1 1 1 GLY H1 H 1.512 1.663 -0.204 1.00 . A A . 1 GLY H1 1 1
3 246 1 1 1 GLY HA2 H 1.828 -0.948 -0.627 1.00 . A A . 1 GLY HA2 1 1
3 247 1 1 1 GLY HA3 H 1.922 -0.344 -2.274 1.00 . A A . 1 GLY HA3 1 1
3 248 1 1 1 GLY N N 1.220 1.015 -0.879 1.00 . A A . 1 GLY N 1 1
3 249 1 1 1 GLY O O 3.987 0.515 0.080 1.00 . A A . 1 GLY O 1 1
3 250 1 1 2 CYS C C 6.100 1.672 -2.921 1.00 . A A . 2 CYS C 1 1
3 251 1 1 2 CYS CA C 5.750 0.463 -2.058 1.00 . A A . 2 CYS CA 1 1
3 252 1 1 2 CYS CB C 6.555 -0.755 -2.516 1.00 . A A . 2 CYS CB 1 1
3 253 1 1 2 CYS H H 3.918 -0.059 -2.981 1.00 . A A . 2 CYS H 1 1
3 254 1 1 2 CYS HA H 6.000 0.684 -1.031 1.00 . A A . 2 CYS HA 1 1
3 255 1 1 2 CYS HB2 H 5.979 -1.303 -3.247 1.00 . A A . 2 CYS HB2 1 1
3 256 1 1 2 CYS HB3 H 7.476 -0.418 -2.968 1.00 . A A . 2 CYS HB3 1 1
3 257 1 1 2 CYS N N 4.321 0.177 -2.119 1.00 . A A . 2 CYS N 1 1
3 258 1 1 2 CYS O O 6.563 1.527 -4.052 1.00 . A A . 2 CYS O 1 1
3 259 1 1 2 CYS SG S 6.985 -1.909 -1.174 1.00 . A A . 2 CYS SG 1 1
3 260 1 1 3 VAL C C 7.626 4.146 -3.537 1.00 . A A . 3 VAL C 1 1
3 261 1 1 3 VAL CA C 6.167 4.099 -3.097 1.00 . A A . 3 VAL CA 1 1
3 262 1 1 3 VAL CB C 5.863 5.337 -2.233 1.00 . A A . 3 VAL CB 1 1
3 263 1 1 3 VAL CG1 C 4.361 5.532 -2.089 1.00 . A A . 3 VAL CG1 1 1
3 264 1 1 3 VAL CG2 C 6.525 5.210 -0.869 1.00 . A A . 3 VAL CG2 1 1
3 265 1 1 3 VAL H H 5.503 2.915 -1.472 1.00 . A A . 3 VAL H 1 1
3 266 1 1 3 VAL HA H 5.535 4.133 -3.973 1.00 . A A . 3 VAL HA 1 1
3 267 1 1 3 VAL HB H 6.270 6.206 -2.728 1.00 . A A . 3 VAL HB 1 1
3 268 1 1 3 VAL HG11 H 3.904 4.600 -1.789 1.00 . A A . 3 VAL HG11 1 1
3 269 1 1 3 VAL HG12 H 4.165 6.288 -1.343 1.00 . A A . 3 VAL HG12 1 1
3 270 1 1 3 VAL HG13 H 3.947 5.846 -3.036 1.00 . A A . 3 VAL HG13 1 1
3 271 1 1 3 VAL HG21 H 5.764 5.152 -0.104 1.00 . A A . 3 VAL HG21 1 1
3 272 1 1 3 VAL HG22 H 7.129 4.315 -0.843 1.00 . A A . 3 VAL HG22 1 1
3 273 1 1 3 VAL HG23 H 7.151 6.071 -0.691 1.00 . A A . 3 VAL HG23 1 1
3 274 1 1 3 VAL N N 5.875 2.864 -2.378 1.00 . A A . 3 VAL N 1 1
3 275 1 1 3 VAL O O 8.513 4.112 -2.686 1.00 . A A . 3 VAL O 1 1
3 276 1 1 4 . C C 9.585 2.887 -5.887 1.00 . A A . 4 DLE C 1 1
3 277 1 1 4 . CA C 9.190 4.274 -5.377 1.00 . A A . 4 DLE CA 1 1
3 278 1 1 4 . CB C 9.307 5.374 -6.434 1.00 . A A . 4 DLE CB 1 1
3 279 1 1 4 . CD1 C 7.950 7.497 -6.548 1.00 . A A . 4 DLE CD1 1 1
3 280 1 1 4 . CD2 C 10.455 7.603 -6.160 1.00 . A A . 4 DLE CD2 1 1
3 281 1 1 4 . CG C 9.167 6.811 -5.925 1.00 . A A . 4 DLE CG 1 1
3 282 1 1 4 . H H 7.113 4.250 -5.528 1.00 . A A . 4 DLE H 1 1
3 283 1 1 4 . HA H 9.857 4.544 -4.557 1.00 . A A . 4 DLE HA 1 1
3 284 1 1 4 . HB2 H 8.544 5.203 -7.193 1.00 . A A . 4 DLE HB2 1 1
3 285 1 1 4 . HB3 H 10.274 5.277 -6.926 1.00 . A A . 4 DLE HB3 1 1
3 286 1 1 4 . HD11 H 7.849 8.502 -6.137 1.00 . A A . 4 DLE HD11 1 1
3 287 1 1 4 . HD12 H 7.053 6.921 -6.323 1.00 . A A . 4 DLE HD12 1 1
3 288 1 1 4 . HD13 H 8.080 7.558 -7.629 1.00 . A A . 4 DLE HD13 1 1
3 289 1 1 4 . HD21 H 10.841 7.382 -7.155 1.00 . A A . 4 DLE HD21 1 1
3 290 1 1 4 . HD22 H 11.196 7.322 -5.412 1.00 . A A . 4 DLE HD22 1 1
3 291 1 1 4 . HD23 H 10.244 8.670 -6.080 1.00 . A A . 4 DLE HD23 1 1
3 292 1 1 4 . HG H 9.002 6.777 -4.848 1.00 . A A . 4 DLE HG 1 1
3 293 1 1 4 . N N 7.840 4.223 -4.842 1.00 . A A . 4 DLE N 1 1
3 294 1 1 4 . O O 10.268 2.734 -6.900 1.00 . A A . 4 DLE O 1 1
3 295 1 1 5 TYR C C 8.165 -0.243 -5.947 1.00 . A A . 5 TYR C 1 1
3 296 1 1 5 TYR CA C 9.431 0.488 -5.510 1.00 . A A . 5 TYR CA 1 1
3 297 1 1 5 TYR CB C 10.069 -0.239 -4.326 1.00 . A A . 5 TYR CB 1 1
3 298 1 1 5 TYR CD1 C 12.236 0.924 -3.752 1.00 . A A . 5 TYR CD1 1 1
3 299 1 1 5 TYR CD2 C 10.370 1.244 -2.304 1.00 . A A . 5 TYR CD2 1 1
3 300 1 1 5 TYR CE1 C 13.006 1.744 -2.949 1.00 . A A . 5 TYR CE1 1 1
3 301 1 1 5 TYR CE2 C 11.132 2.066 -1.496 1.00 . A A . 5 TYR CE2 1 1
3 302 1 1 5 TYR CG C 10.907 0.660 -3.444 1.00 . A A . 5 TYR CG 1 1
3 303 1 1 5 TYR CZ C 12.449 2.313 -1.823 1.00 . A A . 5 TYR CZ 1 1
3 304 1 1 5 TYR H H 8.598 2.057 -4.360 1.00 . A A . 5 TYR H 1 1
3 305 1 1 5 TYR HA H 10.130 0.497 -6.334 1.00 . A A . 5 TYR HA 1 1
3 306 1 1 5 TYR HB2 H 9.292 -0.670 -3.715 1.00 . A A . 5 TYR HB2 1 1
3 307 1 1 5 TYR HB3 H 10.707 -1.027 -4.698 1.00 . A A . 5 TYR HB3 1 1
3 308 1 1 5 TYR HD1 H 12.670 0.477 -4.635 1.00 . A A . 5 TYR HD1 1 1
3 309 1 1 5 TYR HD2 H 9.338 1.048 -2.050 1.00 . A A . 5 TYR HD2 1 1
3 310 1 1 5 TYR HE1 H 14.037 1.938 -3.205 1.00 . A A . 5 TYR HE1 1 1
3 311 1 1 5 TYR HE2 H 10.696 2.511 -0.614 1.00 . A A . 5 TYR HE2 1 1
3 312 1 1 5 TYR HH H 13.180 4.029 -1.357 1.00 . A A . 5 TYR HH 1 1
3 313 1 1 5 TYR N N 9.137 1.872 -5.157 1.00 . A A . 5 TYR N 1 1
3 314 1 1 5 TYR O O 7.564 -1.005 -5.190 1.00 . A A . 5 TYR O 1 1
3 315 1 1 5 TYR OH O 13.211 3.130 -1.020 1.00 . A A . 5 TYR OH 1 1
3 316 1 1 6 PRO C C 6.736 -2.126 -8.008 1.00 . A A . 6 PRO C 1 1
3 317 1 1 6 PRO CA C 6.551 -0.632 -7.768 1.00 . A A . 6 PRO CA 1 1
3 318 1 1 6 PRO CB C 6.363 0.104 -9.097 1.00 . A A . 6 PRO CB 1 1
3 319 1 1 6 PRO CD C 8.415 0.892 -8.159 1.00 . A A . 6 PRO CD 1 1
3 320 1 1 6 PRO CG C 7.725 0.587 -9.459 1.00 . A A . 6 PRO CG 1 1
3 321 1 1 6 PRO HA H 5.685 -0.474 -7.141 1.00 . A A . 6 PRO HA 1 1
3 322 1 1 6 PRO HB2 H 5.975 -0.580 -9.839 1.00 . A A . 6 PRO HB2 1 1
3 323 1 1 6 PRO HB3 H 5.675 0.926 -8.964 1.00 . A A . 6 PRO HB3 1 1
3 324 1 1 6 PRO HD2 H 9.469 0.666 -8.229 1.00 . A A . 6 PRO HD2 1 1
3 325 1 1 6 PRO HD3 H 8.266 1.926 -7.886 1.00 . A A . 6 PRO HD3 1 1
3 326 1 1 6 PRO HG2 H 8.257 -0.184 -9.995 1.00 . A A . 6 PRO HG2 1 1
3 327 1 1 6 PRO HG3 H 7.649 1.480 -10.061 1.00 . A A . 6 PRO HG3 1 1
3 328 1 1 6 PRO N N 7.748 -0.005 -7.200 1.00 . A A . 6 PRO N 1 1
3 329 1 1 6 PRO O O 5.793 -2.827 -8.372 1.00 . A A . 6 PRO O 1 1
3 330 1 1 7 TRP C C 8.176 -4.781 -6.678 1.00 . A A . 7 TRP C 1 1
3 331 1 1 7 TRP CA C 8.265 -4.019 -7.995 1.00 . A A . 7 TRP CA 1 1
3 332 1 1 7 TRP CB C 9.662 -4.179 -8.597 1.00 . A A . 7 TRP CB 1 1
3 333 1 1 7 TRP CD1 C 11.341 -4.024 -6.667 1.00 . A A . 7 TRP CD1 1 1
3 334 1 1 7 TRP CD2 C 11.336 -2.245 -8.028 1.00 . A A . 7 TRP CD2 1 1
3 335 1 1 7 TRP CE2 C 12.295 -2.036 -7.017 1.00 . A A . 7 TRP CE2 1 1
3 336 1 1 7 TRP CE3 C 11.157 -1.259 -9.001 1.00 . A A . 7 TRP CE3 1 1
3 337 1 1 7 TRP CG C 10.738 -3.523 -7.785 1.00 . A A . 7 TRP CG 1 1
3 338 1 1 7 TRP CH2 C 12.872 0.070 -7.920 1.00 . A A . 7 TRP CH2 1 1
3 339 1 1 7 TRP CZ2 C 13.069 -0.880 -6.954 1.00 . A A . 7 TRP CZ2 1 1
3 340 1 1 7 TRP CZ3 C 11.925 -0.112 -8.937 1.00 . A A . 7 TRP CZ3 1 1
3 341 1 1 7 TRP H H 8.668 -1.997 -7.511 1.00 . A A . 7 TRP H 1 1
3 342 1 1 7 TRP HA H 7.538 -4.424 -8.683 1.00 . A A . 7 TRP HA 1 1
3 343 1 1 7 TRP HB2 H 9.896 -5.230 -8.673 1.00 . A A . 7 TRP HB2 1 1
3 344 1 1 7 TRP HB3 H 9.673 -3.739 -9.584 1.00 . A A . 7 TRP HB3 1 1
3 345 1 1 7 TRP HD1 H 11.104 -4.980 -6.225 1.00 . A A . 7 TRP HD1 1 1
3 346 1 1 7 TRP HE1 H 12.843 -3.266 -5.409 1.00 . A A . 7 TRP HE1 1 1
3 347 1 1 7 TRP HE3 H 10.432 -1.381 -9.793 1.00 . A A . 7 TRP HE3 1 1
3 348 1 1 7 TRP HH2 H 13.450 0.981 -7.908 1.00 . A A . 7 TRP HH2 1 1
3 349 1 1 7 TRP HZ2 H 13.803 -0.725 -6.177 1.00 . A A . 7 TRP HZ2 1 1
3 350 1 1 7 TRP HZ3 H 11.800 0.662 -9.680 1.00 . A A . 7 TRP HZ3 1 1
3 351 1 1 7 TRP N N 7.957 -2.606 -7.801 1.00 . A A . 7 TRP N 1 1
3 352 1 1 7 TRP NE1 N 12.278 -3.134 -6.199 1.00 . A A . 7 TRP NE1 1 1
3 353 1 1 7 TRP O O 8.890 -5.762 -6.466 1.00 . A A . 7 TRP O 1 1
3 354 1 1 8 CYS C C 6.072 -6.079 -4.581 1.00 . A A . 8 CYS C 1 1
3 355 1 1 8 CYS CA C 7.110 -4.965 -4.497 1.00 . A A . 8 CYS CA 1 1
3 356 1 1 8 CYS CB C 6.683 -3.932 -3.452 1.00 . A A . 8 CYS CB 1 1
3 357 1 1 8 CYS H H 6.752 -3.539 -6.020 1.00 . A A . 8 CYS H 1 1
3 358 1 1 8 CYS HA H 8.056 -5.393 -4.201 1.00 . A A . 8 CYS HA 1 1
3 359 1 1 8 CYS HB2 H 6.104 -3.159 -3.937 1.00 . A A . 8 CYS HB2 1 1
3 360 1 1 8 CYS HB3 H 6.070 -4.418 -2.707 1.00 . A A . 8 CYS HB3 1 1
3 361 1 1 8 CYS N N 7.294 -4.326 -5.794 1.00 . A A . 8 CYS N 1 1
3 362 1 1 8 CYS O O 6.129 -7.053 -3.830 1.00 . A A . 8 CYS O 1 1
3 363 1 1 8 CYS SG S 8.071 -3.126 -2.592 1.00 . A A . 8 CYS SG 1 1
4 364 1 1 1 GLY C C 3.585 0.252 -0.983 1.00 . A A . 1 GLY C 1 1
4 365 1 1 1 GLY CA C 2.118 -0.079 -1.170 1.00 . A A . 1 GLY CA 1 1
4 366 1 1 1 GLY H1 H 0.815 1.584 -1.311 1.00 . A A . 1 GLY H1 1 1
4 367 1 1 1 GLY HA2 H 1.896 -0.994 -0.641 1.00 . A A . 1 GLY HA2 1 1
4 368 1 1 1 GLY HA3 H 1.926 -0.228 -2.222 1.00 . A A . 1 GLY HA3 1 1
4 369 1 1 1 GLY N N 1.245 0.971 -0.679 1.00 . A A . 1 GLY N 1 1
4 370 1 1 1 GLY O O 4.026 0.551 0.127 1.00 . A A . 1 GLY O 1 1
4 371 1 1 2 CYS C C 6.109 1.695 -2.902 1.00 . A A . 2 CYS C 1 1
4 372 1 1 2 CYS CA C 5.772 0.493 -2.025 1.00 . A A . 2 CYS CA 1 1
4 373 1 1 2 CYS CB C 6.581 -0.725 -2.476 1.00 . A A . 2 CYS CB 1 1
4 374 1 1 2 CYS H H 3.936 -0.046 -2.930 1.00 . A A . 2 CYS H 1 1
4 375 1 1 2 CYS HA H 6.029 0.726 -1.003 1.00 . A A . 2 CYS HA 1 1
4 376 1 1 2 CYS HB2 H 6.003 -1.284 -3.198 1.00 . A A . 2 CYS HB2 1 1
4 377 1 1 2 CYS HB3 H 7.497 -0.388 -2.939 1.00 . A A . 2 CYS HB3 1 1
4 378 1 1 2 CYS N N 4.345 0.198 -2.072 1.00 . A A . 2 CYS N 1 1
4 379 1 1 2 CYS O O 6.563 1.541 -4.036 1.00 . A A . 2 CYS O 1 1
4 380 1 1 2 CYS SG S 7.027 -1.863 -1.125 1.00 . A A . 2 CYS SG 1 1
4 381 1 1 3 VAL C C 7.620 4.170 -3.555 1.00 . A A . 3 VAL C 1 1
4 382 1 1 3 VAL CA C 6.165 4.120 -3.103 1.00 . A A . 3 VAL CA 1 1
4 383 1 1 3 VAL CB C 5.860 5.365 -2.249 1.00 . A A . 3 VAL CB 1 1
4 384 1 1 3 VAL CG1 C 4.359 5.555 -2.097 1.00 . A A . 3 VAL CG1 1 1
4 385 1 1 3 VAL CG2 C 6.532 5.255 -0.889 1.00 . A A . 3 VAL CG2 1 1
4 386 1 1 3 VAL H H 5.521 2.949 -1.461 1.00 . A A . 3 VAL H 1 1
4 387 1 1 3 VAL HA H 5.526 4.142 -3.974 1.00 . A A . 3 VAL HA 1 1
4 388 1 1 3 VAL HB H 6.260 6.231 -2.756 1.00 . A A . 3 VAL HB 1 1
4 389 1 1 3 VAL HG11 H 3.901 5.599 -3.075 1.00 . A A . 3 VAL HG11 1 1
4 390 1 1 3 VAL HG12 H 3.945 4.726 -1.542 1.00 . A A . 3 VAL HG12 1 1
4 391 1 1 3 VAL HG13 H 4.164 6.476 -1.568 1.00 . A A . 3 VAL HG13 1 1
4 392 1 1 3 VAL HG21 H 7.163 6.117 -0.729 1.00 . A A . 3 VAL HG21 1 1
4 393 1 1 3 VAL HG22 H 5.778 5.213 -0.116 1.00 . A A . 3 VAL HG22 1 1
4 394 1 1 3 VAL HG23 H 7.132 4.358 -0.855 1.00 . A A . 3 VAL HG23 1 1
4 395 1 1 3 VAL N N 5.884 2.891 -2.370 1.00 . A A . 3 VAL N 1 1
4 396 1 1 3 VAL O O 8.514 4.149 -2.710 1.00 . A A . 3 VAL O 1 1
4 397 1 1 4 . C C 9.568 2.897 -5.906 1.00 . A A . 4 DLE C 1 1
4 398 1 1 4 . CA C 9.170 4.288 -5.408 1.00 . A A . 4 DLE CA 1 1
4 399 1 1 4 . CB C 9.272 5.377 -6.477 1.00 . A A . 4 DLE CB 1 1
4 400 1 1 4 . CD1 C 7.903 7.492 -6.603 1.00 . A A . 4 DLE CD1 1 1
4 401 1 1 4 . CD2 C 10.410 7.615 -6.235 1.00 . A A . 4 DLE CD2 1 1
4 402 1 1 4 . CG C 9.129 6.818 -5.982 1.00 . A A . 4 DLE CG 1 1
4 403 1 1 4 . H H 7.091 4.251 -5.542 1.00 . A A . 4 DLE H 1 1
4 404 1 1 4 . HA H 9.840 4.569 -4.596 1.00 . A A . 4 DLE HA 1 1
4 405 1 1 4 . HB2 H 8.504 5.194 -7.229 1.00 . A A . 4 DLE HB2 1 1
4 406 1 1 4 . HB3 H 10.236 5.279 -6.976 1.00 . A A . 4 DLE HB3 1 1
4 407 1 1 4 . HD11 H 7.631 8.366 -6.012 1.00 . A A . 4 DLE HD11 1 1
4 408 1 1 4 . HD12 H 7.070 6.789 -6.617 1.00 . A A . 4 DLE HD12 1 1
4 409 1 1 4 . HD13 H 8.136 7.800 -7.622 1.00 . A A . 4 DLE HD13 1 1
4 410 1 1 4 . HD21 H 10.242 8.662 -5.986 1.00 . A A . 4 DLE HD21 1 1
4 411 1 1 4 . HD22 H 10.689 7.531 -7.286 1.00 . A A . 4 DLE HD22 1 1
4 412 1 1 4 . HD23 H 11.213 7.218 -5.614 1.00 . A A . 4 DLE HD23 1 1
4 413 1 1 4 . HG H 8.972 6.795 -4.904 1.00 . A A . 4 DLE HG 1 1
4 414 1 1 4 . N N 7.824 4.235 -4.862 1.00 . A A . 4 DLE N 1 1
4 415 1 1 4 . O O 10.244 2.737 -6.923 1.00 . A A . 4 DLE O 1 1
4 416 1 1 5 TYR C C 8.163 -0.240 -5.924 1.00 . A A . 5 TYR C 1 1
4 417 1 1 5 TYR CA C 9.429 0.502 -5.504 1.00 . A A . 5 TYR CA 1 1
4 418 1 1 5 TYR CB C 10.080 -0.210 -4.317 1.00 . A A . 5 TYR CB 1 1
4 419 1 1 5 TYR CD1 C 12.243 0.974 -3.772 1.00 . A A . 5 TYR CD1 1 1
4 420 1 1 5 TYR CD2 C 10.388 1.292 -2.310 1.00 . A A . 5 TYR CD2 1 1
4 421 1 1 5 TYR CE1 C 13.014 1.806 -2.983 1.00 . A A . 5 TYR CE1 1 1
4 422 1 1 5 TYR CE2 C 11.151 2.126 -1.516 1.00 . A A . 5 TYR CE2 1 1
4 423 1 1 5 TYR CG C 10.919 0.702 -3.450 1.00 . A A . 5 TYR CG 1 1
4 424 1 1 5 TYR CZ C 12.463 2.380 -1.857 1.00 . A A . 5 TYR CZ 1 1
4 425 1 1 5 TYR H H 8.596 2.078 -4.364 1.00 . A A . 5 TYR H 1 1
4 426 1 1 5 TYR HA H 10.122 0.506 -6.333 1.00 . A A . 5 TYR HA 1 1
4 427 1 1 5 TYR HB2 H 9.308 -0.638 -3.696 1.00 . A A . 5 TYR HB2 1 1
4 428 1 1 5 TYR HB3 H 10.719 -0.999 -4.685 1.00 . A A . 5 TYR HB3 1 1
4 429 1 1 5 TYR HD1 H 12.672 0.523 -4.656 1.00 . A A . 5 TYR HD1 1 1
4 430 1 1 5 TYR HD2 H 9.360 1.091 -2.045 1.00 . A A . 5 TYR HD2 1 1
4 431 1 1 5 TYR HE1 H 14.041 2.005 -3.250 1.00 . A A . 5 TYR HE1 1 1
4 432 1 1 5 TYR HE2 H 10.720 2.576 -0.633 1.00 . A A . 5 TYR HE2 1 1
4 433 1 1 5 TYR HH H 13.877 2.688 -0.591 1.00 . A A . 5 TYR HH 1 1
4 434 1 1 5 TYR N N 9.131 1.887 -5.163 1.00 . A A . 5 TYR N 1 1
4 435 1 1 5 TYR O O 7.572 -0.998 -5.154 1.00 . A A . 5 TYR O 1 1
4 436 1 1 5 TYR OH O 13.227 3.209 -1.068 1.00 . A A . 5 TYR OH 1 1
4 437 1 1 6 PRO C C 6.730 -2.152 -7.955 1.00 . A A . 6 PRO C 1 1
4 438 1 1 6 PRO CA C 6.538 -0.656 -7.729 1.00 . A A . 6 PRO CA 1 1
4 439 1 1 6 PRO CB C 6.337 0.065 -9.064 1.00 . A A . 6 PRO CB 1 1
4 440 1 1 6 PRO CD C 8.392 0.873 -8.149 1.00 . A A . 6 PRO CD 1 1
4 441 1 1 6 PRO CG C 7.694 0.551 -9.441 1.00 . A A . 6 PRO CG 1 1
4 442 1 1 6 PRO HA H 5.677 -0.496 -7.098 1.00 . A A . 6 PRO HA 1 1
4 443 1 1 6 PRO HB2 H 5.947 -0.629 -9.796 1.00 . A A . 6 PRO HB2 1 1
4 444 1 1 6 PRO HB3 H 5.646 0.885 -8.934 1.00 . A A . 6 PRO HB3 1 1
4 445 1 1 6 PRO HD2 H 9.446 0.652 -8.225 1.00 . A A . 6 PRO HD2 1 1
4 446 1 1 6 PRO HD3 H 8.239 1.909 -7.885 1.00 . A A . 6 PRO HD3 1 1
4 447 1 1 6 PRO HG2 H 8.226 -0.222 -9.973 1.00 . A A . 6 PRO HG2 1 1
4 448 1 1 6 PRO HG3 H 7.609 1.438 -10.052 1.00 . A A . 6 PRO HG3 1 1
4 449 1 1 6 PRO N N 7.737 -0.018 -7.176 1.00 . A A . 6 PRO N 1 1
4 450 1 1 6 PRO O O 5.787 -2.862 -8.306 1.00 . A A . 6 PRO O 1 1
4 451 1 1 7 TRP C C 8.192 -4.786 -6.608 1.00 . A A . 7 TRP C 1 1
4 452 1 1 7 TRP CA C 8.269 -4.036 -7.934 1.00 . A A . 7 TRP CA 1 1
4 453 1 1 7 TRP CB C 9.662 -4.196 -8.544 1.00 . A A . 7 TRP CB 1 1
4 454 1 1 7 TRP CD1 C 11.364 -4.014 -6.636 1.00 . A A . 7 TRP CD1 1 1
4 455 1 1 7 TRP CD2 C 11.319 -2.239 -8.002 1.00 . A A . 7 TRP CD2 1 1
4 456 1 1 7 TRP CE2 C 12.288 -2.014 -7.004 1.00 . A A . 7 TRP CE2 1 1
4 457 1 1 7 TRP CE3 C 11.114 -1.258 -8.975 1.00 . A A . 7 TRP CE3 1 1
4 458 1 1 7 TRP CG C 10.740 -3.524 -7.748 1.00 . A A . 7 TRP CG 1 1
4 459 1 1 7 TRP CH2 C 12.826 0.096 -7.920 1.00 . A A . 7 TRP CH2 1 1
4 460 1 1 7 TRP CZ2 C 13.047 -0.848 -6.954 1.00 . A A . 7 TRP CZ2 1 1
4 461 1 1 7 TRP CZ3 C 11.868 -0.101 -8.924 1.00 . A A . 7 TRP CZ3 1 1
4 462 1 1 7 TRP H H 8.665 -2.008 -7.473 1.00 . A A . 7 TRP H 1 1
4 463 1 1 7 TRP HA H 7.539 -4.453 -8.612 1.00 . A A . 7 TRP HA 1 1
4 464 1 1 7 TRP HB2 H 9.902 -5.246 -8.610 1.00 . A A . 7 TRP HB2 1 1
4 465 1 1 7 TRP HB3 H 9.664 -3.767 -9.536 1.00 . A A . 7 TRP HB3 1 1
4 466 1 1 7 TRP HD1 H 11.145 -4.971 -6.188 1.00 . A A . 7 TRP HD1 1 1
4 467 1 1 7 TRP HE1 H 12.872 -3.233 -5.400 1.00 . A A . 7 TRP HE1 1 1
4 468 1 1 7 TRP HE3 H 10.381 -1.391 -9.757 1.00 . A A . 7 TRP HE3 1 1
4 469 1 1 7 TRP HH2 H 13.392 1.014 -7.919 1.00 . A A . 7 TRP HH2 1 1
4 470 1 1 7 TRP HZ2 H 13.789 -0.682 -6.187 1.00 . A A . 7 TRP HZ2 1 1
4 471 1 1 7 TRP HZ3 H 11.724 0.669 -9.668 1.00 . A A . 7 TRP HZ3 1 1
4 472 1 1 7 TRP N N 7.955 -2.624 -7.752 1.00 . A A . 7 TRP N 1 1
4 473 1 1 7 TRP NE1 N 12.295 -3.111 -6.183 1.00 . A A . 7 TRP NE1 1 1
4 474 1 1 7 TRP O O 8.913 -5.760 -6.392 1.00 . A A . 7 TRP O 1 1
4 475 1 1 8 CYS C C 6.110 -6.073 -4.484 1.00 . A A . 8 CYS C 1 1
4 476 1 1 8 CYS CA C 7.144 -4.952 -4.418 1.00 . A A . 8 CYS CA 1 1
4 477 1 1 8 CYS CB C 6.718 -3.911 -3.381 1.00 . A A . 8 CYS CB 1 1
4 478 1 1 8 CYS H H 6.768 -3.544 -5.953 1.00 . A A . 8 CYS H 1 1
4 479 1 1 8 CYS HA H 8.094 -5.372 -4.124 1.00 . A A . 8 CYS HA 1 1
4 480 1 1 8 CYS HB2 H 6.133 -3.146 -3.869 1.00 . A A . 8 CYS HB2 1 1
4 481 1 1 8 CYS HB3 H 6.114 -4.392 -2.626 1.00 . A A . 8 CYS HB3 1 1
4 482 1 1 8 CYS N N 7.315 -4.326 -5.723 1.00 . A A . 8 CYS N 1 1
4 483 1 1 8 CYS O O 6.436 -7.212 -4.819 1.00 . A A . 8 CYS O 1 1
4 484 1 1 8 CYS SG S 8.109 -3.089 -2.539 1.00 . A A . 8 CYS SG 1 1
5 485 1 1 1 GLY C C 3.575 0.260 -0.999 1.00 . A A . 1 GLY C 1 1
5 486 1 1 1 GLY CA C 2.108 -0.070 -1.189 1.00 . A A . 1 GLY CA 1 1
5 487 1 1 1 GLY H1 H 1.048 1.505 -0.251 1.00 . A A . 1 GLY H1 1 1
5 488 1 1 1 GLY HA2 H 1.981 -1.141 -1.137 1.00 . A A . 1 GLY HA2 1 1
5 489 1 1 1 GLY HA3 H 1.797 0.273 -2.165 1.00 . A A . 1 GLY HA3 1 1
5 490 1 1 1 GLY N N 1.264 0.551 -0.185 1.00 . A A . 1 GLY N 1 1
5 491 1 1 1 GLY O O 4.013 0.560 0.112 1.00 . A A . 1 GLY O 1 1
5 492 1 1 2 CYS C C 6.106 1.697 -2.912 1.00 . A A . 2 CYS C 1 1
5 493 1 1 2 CYS CA C 5.765 0.496 -2.034 1.00 . A A . 2 CYS CA 1 1
5 494 1 1 2 CYS CB C 6.574 -0.723 -2.481 1.00 . A A . 2 CYS CB 1 1
5 495 1 1 2 CYS H H 3.931 -0.042 -2.943 1.00 . A A . 2 CYS H 1 1
5 496 1 1 2 CYS HA H 6.019 0.731 -1.011 1.00 . A A . 2 CYS HA 1 1
5 497 1 1 2 CYS HB2 H 6.008 -1.268 -3.223 1.00 . A A . 2 CYS HB2 1 1
5 498 1 1 2 CYS HB3 H 7.503 -0.388 -2.919 1.00 . A A . 2 CYS HB3 1 1
5 499 1 1 2 CYS N N 4.338 0.203 -2.085 1.00 . A A . 2 CYS N 1 1
5 500 1 1 2 CYS O O 6.544 1.541 -4.052 1.00 . A A . 2 CYS O 1 1
5 501 1 1 2 CYS SG S 6.979 -1.881 -1.135 1.00 . A A . 2 CYS SG 1 1
5 502 1 1 3 VAL C C 7.644 4.165 -3.558 1.00 . A A . 3 VAL C 1 1
5 503 1 1 3 VAL CA C 6.188 4.122 -3.107 1.00 . A A . 3 VAL CA 1 1
5 504 1 1 3 VAL CB C 5.890 5.368 -2.253 1.00 . A A . 3 VAL CB 1 1
5 505 1 1 3 VAL CG1 C 4.389 5.566 -2.102 1.00 . A A . 3 VAL CG1 1 1
5 506 1 1 3 VAL CG2 C 6.561 5.255 -0.892 1.00 . A A . 3 VAL CG2 1 1
5 507 1 1 3 VAL H H 5.551 2.954 -1.460 1.00 . A A . 3 VAL H 1 1
5 508 1 1 3 VAL HA H 5.550 4.147 -3.978 1.00 . A A . 3 VAL HA 1 1
5 509 1 1 3 VAL HB H 6.295 6.232 -2.759 1.00 . A A . 3 VAL HB 1 1
5 510 1 1 3 VAL HG11 H 4.027 6.194 -2.902 1.00 . A A . 3 VAL HG11 1 1
5 511 1 1 3 VAL HG12 H 3.894 4.607 -2.143 1.00 . A A . 3 VAL HG12 1 1
5 512 1 1 3 VAL HG13 H 4.183 6.038 -1.153 1.00 . A A . 3 VAL HG13 1 1
5 513 1 1 3 VAL HG21 H 7.174 4.367 -0.867 1.00 . A A . 3 VAL HG21 1 1
5 514 1 1 3 VAL HG22 H 7.179 6.124 -0.721 1.00 . A A . 3 VAL HG22 1 1
5 515 1 1 3 VAL HG23 H 5.806 5.193 -0.122 1.00 . A A . 3 VAL HG23 1 1
5 516 1 1 3 VAL N N 5.902 2.895 -2.373 1.00 . A A . 3 VAL N 1 1
5 517 1 1 3 VAL O O 8.538 4.141 -2.713 1.00 . A A . 3 VAL O 1 1
5 518 1 1 4 . C C 9.587 2.881 -5.908 1.00 . A A . 4 DLE C 1 1
5 519 1 1 4 . CA C 9.195 4.274 -5.411 1.00 . A A . 4 DLE CA 1 1
5 520 1 1 4 . CB C 9.302 5.362 -6.482 1.00 . A A . 4 DLE CB 1 1
5 521 1 1 4 . CD1 C 7.943 7.482 -6.612 1.00 . A A . 4 DLE CD1 1 1
5 522 1 1 4 . CD2 C 10.450 7.594 -6.241 1.00 . A A . 4 DLE CD2 1 1
5 523 1 1 4 . CG C 9.165 6.804 -5.989 1.00 . A A . 4 DLE CG 1 1
5 524 1 1 4 . H H 7.116 4.247 -5.546 1.00 . A A . 4 DLE H 1 1
5 525 1 1 4 . HA H 9.866 4.554 -4.600 1.00 . A A . 4 DLE HA 1 1
5 526 1 1 4 . HB2 H 8.533 5.181 -7.233 1.00 . A A . 4 DLE HB2 1 1
5 527 1 1 4 . HB3 H 10.265 5.259 -6.981 1.00 . A A . 4 DLE HB3 1 1
5 528 1 1 4 . HD11 H 7.127 6.764 -6.687 1.00 . A A . 4 DLE HD11 1 1
5 529 1 1 4 . HD12 H 8.198 7.847 -7.607 1.00 . A A . 4 DLE HD12 1 1
5 530 1 1 4 . HD13 H 7.634 8.320 -5.987 1.00 . A A . 4 DLE HD13 1 1
5 531 1 1 4 . HD21 H 10.219 8.658 -6.289 1.00 . A A . 4 DLE HD21 1 1
5 532 1 1 4 . HD22 H 10.893 7.276 -7.186 1.00 . A A . 4 DLE HD22 1 1
5 533 1 1 4 . HD23 H 11.155 7.410 -5.430 1.00 . A A . 4 DLE HD23 1 1
5 534 1 1 4 . HG H 9.006 6.783 -4.911 1.00 . A A . 4 DLE HG 1 1
5 535 1 1 4 . N N 7.849 4.228 -4.866 1.00 . A A . 4 DLE N 1 1
5 536 1 1 4 . O O 10.264 2.717 -6.923 1.00 . A A . 4 DLE O 1 1
5 537 1 1 5 TYR C C 8.166 -0.249 -5.927 1.00 . A A . 5 TYR C 1 1
5 538 1 1 5 TYR CA C 9.435 0.487 -5.504 1.00 . A A . 5 TYR CA 1 1
5 539 1 1 5 TYR CB C 10.079 -0.227 -4.315 1.00 . A A . 5 TYR CB 1 1
5 540 1 1 5 TYR CD1 C 12.246 0.945 -3.763 1.00 . A A . 5 TYR CD1 1 1
5 541 1 1 5 TYR CD2 C 10.387 1.275 -2.308 1.00 . A A . 5 TYR CD2 1 1
5 542 1 1 5 TYR CE1 C 13.018 1.774 -2.972 1.00 . A A . 5 TYR CE1 1 1
5 543 1 1 5 TYR CE2 C 11.151 2.107 -1.513 1.00 . A A . 5 TYR CE2 1 1
5 544 1 1 5 TYR CG C 10.919 0.681 -3.446 1.00 . A A . 5 TYR CG 1 1
5 545 1 1 5 TYR CZ C 12.466 2.353 -1.848 1.00 . A A . 5 TYR CZ 1 1
5 546 1 1 5 TYR H H 8.608 2.068 -4.367 1.00 . A A . 5 TYR H 1 1
5 547 1 1 5 TYR HA H 10.130 0.487 -6.331 1.00 . A A . 5 TYR HA 1 1
5 548 1 1 5 TYR HB2 H 9.304 -0.653 -3.696 1.00 . A A . 5 TYR HB2 1 1
5 549 1 1 5 TYR HB3 H 10.716 -1.019 -4.681 1.00 . A A . 5 TYR HB3 1 1
5 550 1 1 5 TYR HD1 H 12.676 0.490 -4.643 1.00 . A A . 5 TYR HD1 1 1
5 551 1 1 5 TYR HD2 H 9.357 1.080 -2.048 1.00 . A A . 5 TYR HD2 1 1
5 552 1 1 5 TYR HE1 H 14.048 1.967 -3.234 1.00 . A A . 5 TYR HE1 1 1
5 553 1 1 5 TYR HE2 H 10.719 2.560 -0.632 1.00 . A A . 5 TYR HE2 1 1
5 554 1 1 5 TYR HH H 12.929 4.085 -1.156 1.00 . A A . 5 TYR HH 1 1
5 555 1 1 5 TYR N N 9.143 1.874 -5.164 1.00 . A A . 5 TYR N 1 1
5 556 1 1 5 TYR O O 7.569 -1.002 -5.158 1.00 . A A . 5 TYR O 1 1
5 557 1 1 5 TYR OH O 13.231 3.179 -1.057 1.00 . A A . 5 TYR OH 1 1
5 558 1 1 6 PRO C C 6.729 -2.155 -7.959 1.00 . A A . 6 PRO C 1 1
5 559 1 1 6 PRO CA C 6.544 -0.658 -7.736 1.00 . A A . 6 PRO CA 1 1
5 560 1 1 6 PRO CB C 6.350 0.062 -9.072 1.00 . A A . 6 PRO CB 1 1
5 561 1 1 6 PRO CD C 8.407 0.860 -8.152 1.00 . A A . 6 PRO CD 1 1
5 562 1 1 6 PRO CG C 7.711 0.541 -9.446 1.00 . A A . 6 PRO CG 1 1
5 563 1 1 6 PRO HA H 5.682 -0.493 -7.107 1.00 . A A . 6 PRO HA 1 1
5 564 1 1 6 PRO HB2 H 5.959 -0.631 -9.804 1.00 . A A . 6 PRO HB2 1 1
5 565 1 1 6 PRO HB3 H 5.663 0.886 -8.945 1.00 . A A . 6 PRO HB3 1 1
5 566 1 1 6 PRO HD2 H 9.460 0.634 -8.225 1.00 . A A . 6 PRO HD2 1 1
5 567 1 1 6 PRO HD3 H 8.259 1.897 -7.890 1.00 . A A . 6 PRO HD3 1 1
5 568 1 1 6 PRO HG2 H 8.241 -0.236 -9.975 1.00 . A A . 6 PRO HG2 1 1
5 569 1 1 6 PRO HG3 H 7.632 1.427 -10.058 1.00 . A A . 6 PRO HG3 1 1
5 570 1 1 6 PRO N N 7.745 -0.026 -7.180 1.00 . A A . 6 PRO N 1 1
5 571 1 1 6 PRO O O 5.783 -2.861 -8.312 1.00 . A A . 6 PRO O 1 1
5 572 1 1 7 TRP C C 8.172 -4.796 -6.605 1.00 . A A . 7 TRP C 1 1
5 573 1 1 7 TRP CA C 8.257 -4.048 -7.931 1.00 . A A . 7 TRP CA 1 1
5 574 1 1 7 TRP CB C 9.652 -4.216 -8.536 1.00 . A A . 7 TRP CB 1 1
5 575 1 1 7 TRP CD1 C 11.336 -4.050 -6.611 1.00 . A A . 7 TRP CD1 1 1
5 576 1 1 7 TRP CD2 C 11.333 -2.282 -7.986 1.00 . A A . 7 TRP CD2 1 1
5 577 1 1 7 TRP CE2 C 12.294 -2.067 -6.980 1.00 . A A . 7 TRP CE2 1 1
5 578 1 1 7 TRP CE3 C 11.154 -1.303 -8.967 1.00 . A A . 7 TRP CE3 1 1
5 579 1 1 7 TRP CG C 10.731 -3.556 -7.732 1.00 . A A . 7 TRP CG 1 1
5 580 1 1 7 TRP CH2 C 12.875 0.029 -7.901 1.00 . A A . 7 TRP CH2 1 1
5 581 1 1 7 TRP CZ2 C 13.071 -0.912 -6.928 1.00 . A A . 7 TRP CZ2 1 1
5 582 1 1 7 TRP CZ3 C 11.925 -0.158 -8.914 1.00 . A A . 7 TRP CZ3 1 1
5 583 1 1 7 TRP H H 8.663 -2.021 -7.472 1.00 . A A . 7 TRP H 1 1
5 584 1 1 7 TRP HA H 7.528 -4.461 -8.612 1.00 . A A . 7 TRP HA 1 1
5 585 1 1 7 TRP HB2 H 9.884 -5.268 -8.605 1.00 . A A . 7 TRP HB2 1 1
5 586 1 1 7 TRP HB3 H 9.661 -3.783 -9.526 1.00 . A A . 7 TRP HB3 1 1
5 587 1 1 7 TRP HD1 H 11.097 -5.001 -6.160 1.00 . A A . 7 TRP HD1 1 1
5 588 1 1 7 TRP HE1 H 12.843 -3.286 -5.363 1.00 . A A . 7 TRP HE1 1 1
5 589 1 1 7 TRP HE3 H 10.427 -1.429 -9.756 1.00 . A A . 7 TRP HE3 1 1
5 590 1 1 7 TRP HH2 H 13.455 0.939 -7.898 1.00 . A A . 7 TRP HH2 1 1
5 591 1 1 7 TRP HZ2 H 13.808 -0.754 -6.153 1.00 . A A . 7 TRP HZ2 1 1
5 592 1 1 7 TRP HZ3 H 11.801 0.610 -9.663 1.00 . A A . 7 TRP HZ3 1 1
5 593 1 1 7 TRP N N 7.950 -2.634 -7.752 1.00 . A A . 7 TRP N 1 1
5 594 1 1 7 TRP NE1 N 12.276 -3.159 -6.153 1.00 . A A . 7 TRP NE1 1 1
5 595 1 1 7 TRP O O 8.886 -5.775 -6.386 1.00 . A A . 7 TRP O 1 1
5 596 1 1 8 CYS C C 6.074 -6.068 -4.486 1.00 . A A . 8 CYS C 1 1
5 597 1 1 8 CYS CA C 7.115 -4.954 -4.418 1.00 . A A . 8 CYS CA 1 1
5 598 1 1 8 CYS CB C 6.693 -3.909 -3.383 1.00 . A A . 8 CYS CB 1 1
5 599 1 1 8 CYS H H 6.753 -3.545 -5.956 1.00 . A A . 8 CYS H 1 1
5 600 1 1 8 CYS HA H 8.061 -5.380 -4.121 1.00 . A A . 8 CYS HA 1 1
5 601 1 1 8 CYS HB2 H 6.116 -3.139 -3.875 1.00 . A A . 8 CYS HB2 1 1
5 602 1 1 8 CYS HB3 H 6.081 -4.385 -2.631 1.00 . A A . 8 CYS HB3 1 1
5 603 1 1 8 CYS N N 7.294 -4.329 -5.723 1.00 . A A . 8 CYS N 1 1
5 604 1 1 8 CYS O O 6.106 -6.906 -5.387 1.00 . A A . 8 CYS O 1 1
5 605 1 1 8 CYS SG S 8.085 -3.098 -2.534 1.00 . A A . 8 CYS SG 1 1
6 606 1 1 1 GLY C C 3.586 0.364 -0.985 1.00 . A A . 1 GLY C 1 1
6 607 1 1 1 GLY CA C 2.111 0.069 -1.177 1.00 . A A . 1 GLY CA 1 1
6 608 1 1 1 GLY H1 H 1.800 -2.025 -1.136 1.00 . A A . 1 GLY H1 1 1
6 609 1 1 1 GLY HA2 H 1.891 0.058 -2.234 1.00 . A A . 1 GLY HA2 1 1
6 610 1 1 1 GLY HA3 H 1.535 0.853 -0.707 1.00 . A A . 1 GLY HA3 1 1
6 611 1 1 1 GLY N N 1.721 -1.206 -0.604 1.00 . A A . 1 GLY N 1 1
6 612 1 1 1 GLY O O 4.028 0.660 0.125 1.00 . A A . 1 GLY O 1 1
6 613 1 1 2 CYS C C 6.155 1.729 -2.897 1.00 . A A . 2 CYS C 1 1
6 614 1 1 2 CYS CA C 5.784 0.539 -2.016 1.00 . A A . 2 CYS CA 1 1
6 615 1 1 2 CYS CB C 6.563 -0.701 -2.459 1.00 . A A . 2 CYS CB 1 1
6 616 1 1 2 CYS H H 3.939 0.040 -2.927 1.00 . A A . 2 CYS H 1 1
6 617 1 1 2 CYS HA H 6.042 0.770 -0.994 1.00 . A A . 2 CYS HA 1 1
6 618 1 1 2 CYS HB2 H 5.975 -1.246 -3.183 1.00 . A A . 2 CYS HB2 1 1
6 619 1 1 2 CYS HB3 H 7.489 -0.389 -2.918 1.00 . A A . 2 CYS HB3 1 1
6 620 1 1 2 CYS N N 4.350 0.281 -2.069 1.00 . A A . 2 CYS N 1 1
6 621 1 1 2 CYS O O 6.688 1.560 -3.994 1.00 . A A . 2 CYS O 1 1
6 622 1 1 2 CYS SG S 6.972 -1.846 -1.103 1.00 . A A . 2 CYS SG 1 1
6 623 1 1 3 VAL C C 7.637 4.179 -3.581 1.00 . A A . 3 VAL C 1 1
6 624 1 1 3 VAL CA C 6.175 4.150 -3.149 1.00 . A A . 3 VAL CA 1 1
6 625 1 1 3 VAL CB C 5.874 5.407 -2.312 1.00 . A A . 3 VAL CB 1 1
6 626 1 1 3 VAL CG1 C 4.373 5.581 -2.132 1.00 . A A . 3 VAL CG1 1 1
6 627 1 1 3 VAL CG2 C 6.575 5.330 -0.965 1.00 . A A . 3 VAL CG2 1 1
6 628 1 1 3 VAL H H 5.446 3.002 -1.528 1.00 . A A . 3 VAL H 1 1
6 629 1 1 3 VAL HA H 5.550 4.170 -4.030 1.00 . A A . 3 VAL HA 1 1
6 630 1 1 3 VAL HB H 6.253 6.268 -2.843 1.00 . A A . 3 VAL HB 1 1
6 631 1 1 3 VAL HG11 H 3.858 5.166 -2.985 1.00 . A A . 3 VAL HG11 1 1
6 632 1 1 3 VAL HG12 H 4.057 5.070 -1.234 1.00 . A A . 3 VAL HG12 1 1
6 633 1 1 3 VAL HG13 H 4.141 6.633 -2.049 1.00 . A A . 3 VAL HG13 1 1
6 634 1 1 3 VAL HG21 H 6.184 6.095 -0.311 1.00 . A A . 3 VAL HG21 1 1
6 635 1 1 3 VAL HG22 H 6.404 4.358 -0.524 1.00 . A A . 3 VAL HG22 1 1
6 636 1 1 3 VAL HG23 H 7.636 5.480 -1.101 1.00 . A A . 3 VAL HG23 1 1
6 637 1 1 3 VAL N N 5.870 2.932 -2.408 1.00 . A A . 3 VAL N 1 1
6 638 1 1 3 VAL O O 8.519 4.136 -2.725 1.00 . A A . 3 VAL O 1 1
6 639 1 1 4 . C C 9.601 2.888 -5.903 1.00 . A A . 4 DLE C 1 1
6 640 1 1 4 . CA C 9.214 4.284 -5.412 1.00 . A A . 4 DLE CA 1 1
6 641 1 1 4 . CB C 9.345 5.370 -6.482 1.00 . A A . 4 DLE CB 1 1
6 642 1 1 4 . CD1 C 7.998 7.496 -6.637 1.00 . A A . 4 DLE CD1 1 1
6 643 1 1 4 . CD2 C 10.499 7.598 -6.225 1.00 . A A . 4 DLE CD2 1 1
6 644 1 1 4 . CG C 9.206 6.814 -5.993 1.00 . A A . 4 DLE CG 1 1
6 645 1 1 4 . H H 7.137 4.284 -5.575 1.00 . A A . 4 DLE H 1 1
6 646 1 1 4 . HA H 9.877 4.558 -4.592 1.00 . A A . 4 DLE HA 1 1
6 647 1 1 4 . HB2 H 8.589 5.192 -7.247 1.00 . A A . 4 DLE HB2 1 1
6 648 1 1 4 . HB3 H 10.317 5.263 -6.963 1.00 . A A . 4 DLE HB3 1 1
6 649 1 1 4 . HD11 H 7.834 8.465 -6.165 1.00 . A A . 4 DLE HD11 1 1
6 650 1 1 4 . HD12 H 7.114 6.873 -6.502 1.00 . A A . 4 DLE HD12 1 1
6 651 1 1 4 . HD13 H 8.185 7.638 -7.701 1.00 . A A . 4 DLE HD13 1 1
6 652 1 1 4 . HD21 H 10.907 7.345 -7.204 1.00 . A A . 4 DLE HD21 1 1
6 653 1 1 4 . HD22 H 11.223 7.342 -5.452 1.00 . A A . 4 DLE HD22 1 1
6 654 1 1 4 . HD23 H 10.287 8.667 -6.185 1.00 . A A . 4 DLE HD23 1 1
6 655 1 1 4 . HG H 9.030 6.794 -4.917 1.00 . A A . 4 DLE HG 1 1
6 656 1 1 4 . N N 7.860 4.250 -4.885 1.00 . A A . 4 DLE N 1 1
6 657 1 1 4 . O O 10.277 2.717 -6.918 1.00 . A A . 4 DLE O 1 1
6 658 1 1 5 TYR C C 8.170 -0.237 -5.907 1.00 . A A . 5 TYR C 1 1
6 659 1 1 5 TYR CA C 9.441 0.496 -5.488 1.00 . A A . 5 TYR CA 1 1
6 660 1 1 5 TYR CB C 10.083 -0.215 -4.296 1.00 . A A . 5 TYR CB 1 1
6 661 1 1 5 TYR CD1 C 12.258 0.948 -3.754 1.00 . A A . 5 TYR CD1 1 1
6 662 1 1 5 TYR CD2 C 10.403 1.296 -2.298 1.00 . A A . 5 TYR CD2 1 1
6 663 1 1 5 TYR CE1 C 13.036 1.776 -2.970 1.00 . A A . 5 TYR CE1 1 1
6 664 1 1 5 TYR CE2 C 11.174 2.127 -1.508 1.00 . A A . 5 TYR CE2 1 1
6 665 1 1 5 TYR CG C 10.930 0.693 -3.434 1.00 . A A . 5 TYR CG 1 1
6 666 1 1 5 TYR CZ C 12.489 2.364 -1.848 1.00 . A A . 5 TYR CZ 1 1
6 667 1 1 5 TYR H H 8.620 2.085 -4.357 1.00 . A A . 5 TYR H 1 1
6 668 1 1 5 TYR HA H 10.136 0.489 -6.315 1.00 . A A . 5 TYR HA 1 1
6 669 1 1 5 TYR HB2 H 9.306 -0.632 -3.673 1.00 . A A . 5 TYR HB2 1 1
6 670 1 1 5 TYR HB3 H 10.714 -1.013 -4.658 1.00 . A A . 5 TYR HB3 1 1
6 671 1 1 5 TYR HD1 H 12.683 0.486 -4.634 1.00 . A A . 5 TYR HD1 1 1
6 672 1 1 5 TYR HD2 H 9.373 1.108 -2.035 1.00 . A A . 5 TYR HD2 1 1
6 673 1 1 5 TYR HE1 H 14.066 1.962 -3.235 1.00 . A A . 5 TYR HE1 1 1
6 674 1 1 5 TYR HE2 H 10.746 2.587 -0.629 1.00 . A A . 5 TYR HE2 1 1
6 675 1 1 5 TYR HH H 12.912 4.084 -1.100 1.00 . A A . 5 TYR HH 1 1
6 676 1 1 5 TYR N N 9.154 1.886 -5.154 1.00 . A A . 5 TYR N 1 1
6 677 1 1 5 TYR O O 7.571 -0.986 -5.135 1.00 . A A . 5 TYR O 1 1
6 678 1 1 5 TYR OH O 13.261 3.190 -1.063 1.00 . A A . 5 TYR OH 1 1
6 679 1 1 6 PRO C C 6.724 -2.145 -7.932 1.00 . A A . 6 PRO C 1 1
6 680 1 1 6 PRO CA C 6.545 -0.647 -7.713 1.00 . A A . 6 PRO CA 1 1
6 681 1 1 6 PRO CB C 6.352 0.070 -9.052 1.00 . A A . 6 PRO CB 1 1
6 682 1 1 6 PRO CD C 8.412 0.864 -8.136 1.00 . A A . 6 PRO CD 1 1
6 683 1 1 6 PRO CG C 7.713 0.542 -9.429 1.00 . A A . 6 PRO CG 1 1
6 684 1 1 6 PRO HA H 5.683 -0.477 -7.084 1.00 . A A . 6 PRO HA 1 1
6 685 1 1 6 PRO HB2 H 5.958 -0.624 -9.781 1.00 . A A . 6 PRO HB2 1 1
6 686 1 1 6 PRO HB3 H 5.668 0.896 -8.927 1.00 . A A . 6 PRO HB3 1 1
6 687 1 1 6 PRO HD2 H 9.465 0.634 -8.209 1.00 . A A . 6 PRO HD2 1 1
6 688 1 1 6 PRO HD3 H 8.268 1.902 -7.878 1.00 . A A . 6 PRO HD3 1 1
6 689 1 1 6 PRO HG2 H 8.240 -0.238 -9.956 1.00 . A A . 6 PRO HG2 1 1
6 690 1 1 6 PRO HG3 H 7.637 1.427 -10.043 1.00 . A A . 6 PRO HG3 1 1
6 691 1 1 6 PRO N N 7.747 -0.017 -7.161 1.00 . A A . 6 PRO N 1 1
6 692 1 1 6 PRO O O 5.776 -2.848 -8.283 1.00 . A A . 6 PRO O 1 1
6 693 1 1 7 TRP C C 8.156 -4.787 -6.569 1.00 . A A . 7 TRP C 1 1
6 694 1 1 7 TRP CA C 8.246 -4.044 -7.897 1.00 . A A . 7 TRP CA 1 1
6 695 1 1 7 TRP CB C 9.641 -4.218 -8.500 1.00 . A A . 7 TRP CB 1 1
6 696 1 1 7 TRP CD1 C 11.332 -4.015 -6.585 1.00 . A A . 7 TRP CD1 1 1
6 697 1 1 7 TRP CD2 C 11.307 -2.264 -7.981 1.00 . A A . 7 TRP CD2 1 1
6 698 1 1 7 TRP CE2 C 12.272 -2.028 -6.982 1.00 . A A . 7 TRP CE2 1 1
6 699 1 1 7 TRP CE3 C 11.116 -1.298 -8.973 1.00 . A A . 7 TRP CE3 1 1
6 700 1 1 7 TRP CG C 10.718 -3.540 -7.709 1.00 . A A . 7 TRP CG 1 1
6 701 1 1 7 TRP CH2 C 12.831 0.061 -7.931 1.00 . A A . 7 TRP CH2 1 1
6 702 1 1 7 TRP CZ2 C 13.039 -0.867 -6.948 1.00 . A A . 7 TRP CZ2 1 1
6 703 1 1 7 TRP CZ3 C 11.878 -0.146 -8.937 1.00 . A A . 7 TRP CZ3 1 1
6 704 1 1 7 TRP H H 8.658 -2.017 -7.444 1.00 . A A . 7 TRP H 1 1
6 705 1 1 7 TRP HA H 7.516 -4.456 -8.578 1.00 . A A . 7 TRP HA 1 1
6 706 1 1 7 TRP HB2 H 9.876 -5.270 -8.549 1.00 . A A . 7 TRP HB2 1 1
6 707 1 1 7 TRP HB3 H 9.648 -3.804 -9.498 1.00 . A A . 7 TRP HB3 1 1
6 708 1 1 7 TRP HD1 H 11.104 -4.962 -6.122 1.00 . A A . 7 TRP HD1 1 1
6 709 1 1 7 TRP HE1 H 12.839 -3.223 -5.354 1.00 . A A . 7 TRP HE1 1 1
6 710 1 1 7 TRP HE3 H 10.386 -1.440 -9.757 1.00 . A A . 7 TRP HE3 1 1
6 711 1 1 7 TRP HH2 H 13.403 0.976 -7.942 1.00 . A A . 7 TRP HH2 1 1
6 712 1 1 7 TRP HZ2 H 13.778 -0.693 -6.179 1.00 . A A . 7 TRP HZ2 1 1
6 713 1 1 7 TRP HZ3 H 11.743 0.612 -9.695 1.00 . A A . 7 TRP HZ3 1 1
6 714 1 1 7 TRP N N 7.943 -2.627 -7.723 1.00 . A A . 7 TRP N 1 1
6 715 1 1 7 TRP NE1 N 12.267 -3.110 -6.142 1.00 . A A . 7 TRP NE1 1 1
6 716 1 1 7 TRP O O 8.866 -5.768 -6.346 1.00 . A A . 7 TRP O 1 1
6 717 1 1 8 CYS C C 6.050 -6.046 -4.450 1.00 . A A . 8 CYS C 1 1
6 718 1 1 8 CYS CA C 7.094 -4.935 -4.384 1.00 . A A . 8 CYS CA 1 1
6 719 1 1 8 CYS CB C 6.674 -3.886 -3.353 1.00 . A A . 8 CYS CB 1 1
6 720 1 1 8 CYS H H 6.739 -3.530 -5.926 1.00 . A A . 8 CYS H 1 1
6 721 1 1 8 CYS HA H 8.039 -5.363 -4.084 1.00 . A A . 8 CYS HA 1 1
6 722 1 1 8 CYS HB2 H 6.111 -3.109 -3.850 1.00 . A A . 8 CYS HB2 1 1
6 723 1 1 8 CYS HB3 H 6.050 -4.355 -2.607 1.00 . A A . 8 CYS HB3 1 1
6 724 1 1 8 CYS N N 7.278 -4.315 -5.690 1.00 . A A . 8 CYS N 1 1
6 725 1 1 8 CYS O O 4.951 -5.847 -4.968 1.00 . A A . 8 CYS O 1 1
6 726 1 1 8 CYS SG S 8.068 -3.091 -2.490 1.00 . A A . 8 CYS SG 1 1
7 727 1 1 1 GLY C C 3.554 0.399 -1.020 1.00 . A A . 1 GLY C 1 1
7 728 1 1 1 GLY CA C 2.079 0.108 -1.216 1.00 . A A . 1 GLY CA 1 1
7 729 1 1 1 GLY H1 H 2.430 -1.950 -0.866 1.00 . A A . 1 GLY H1 1 1
7 730 1 1 1 GLY HA2 H 1.755 0.556 -2.144 1.00 . A A . 1 GLY HA2 1 1
7 731 1 1 1 GLY HA3 H 1.525 0.552 -0.402 1.00 . A A . 1 GLY HA3 1 1
7 732 1 1 1 GLY N N 1.794 -1.314 -1.256 1.00 . A A . 1 GLY N 1 1
7 733 1 1 1 GLY O O 3.993 0.696 0.091 1.00 . A A . 1 GLY O 1 1
7 734 1 1 2 CYS C C 6.133 1.754 -2.925 1.00 . A A . 2 CYS C 1 1
7 735 1 1 2 CYS CA C 5.755 0.567 -2.044 1.00 . A A . 2 CYS CA 1 1
7 736 1 1 2 CYS CB C 6.533 -0.675 -2.483 1.00 . A A . 2 CYS CB 1 1
7 737 1 1 2 CYS H H 3.912 0.072 -2.960 1.00 . A A . 2 CYS H 1 1
7 738 1 1 2 CYS HA H 6.011 0.798 -1.021 1.00 . A A . 2 CYS HA 1 1
7 739 1 1 2 CYS HB2 H 5.946 -1.220 -3.208 1.00 . A A . 2 CYS HB2 1 1
7 740 1 1 2 CYS HB3 H 7.462 -0.367 -2.938 1.00 . A A . 2 CYS HB3 1 1
7 741 1 1 2 CYS N N 4.321 0.313 -2.102 1.00 . A A . 2 CYS N 1 1
7 742 1 1 2 CYS O O 6.669 1.583 -4.020 1.00 . A A . 2 CYS O 1 1
7 743 1 1 2 CYS SG S 6.933 -1.821 -1.124 1.00 . A A . 2 CYS SG 1 1
7 744 1 1 3 VAL C C 7.625 4.199 -3.608 1.00 . A A . 3 VAL C 1 1
7 745 1 1 3 VAL CA C 6.161 4.175 -3.181 1.00 . A A . 3 VAL CA 1 1
7 746 1 1 3 VAL CB C 5.860 5.434 -2.346 1.00 . A A . 3 VAL CB 1 1
7 747 1 1 3 VAL CG1 C 4.359 5.612 -2.171 1.00 . A A . 3 VAL CG1 1 1
7 748 1 1 3 VAL CG2 C 6.557 5.357 -0.997 1.00 . A A . 3 VAL CG2 1 1
7 749 1 1 3 VAL H H 5.422 3.031 -1.561 1.00 . A A . 3 VAL H 1 1
7 750 1 1 3 VAL HA H 5.538 4.196 -4.064 1.00 . A A . 3 VAL HA 1 1
7 751 1 1 3 VAL HB H 6.242 6.293 -2.877 1.00 . A A . 3 VAL HB 1 1
7 752 1 1 3 VAL HG11 H 4.013 4.978 -1.368 1.00 . A A . 3 VAL HG11 1 1
7 753 1 1 3 VAL HG12 H 4.144 6.644 -1.935 1.00 . A A . 3 VAL HG12 1 1
7 754 1 1 3 VAL HG13 H 3.855 5.339 -3.087 1.00 . A A . 3 VAL HG13 1 1
7 755 1 1 3 VAL HG21 H 6.382 4.387 -0.557 1.00 . A A . 3 VAL HG21 1 1
7 756 1 1 3 VAL HG22 H 7.619 5.505 -1.131 1.00 . A A . 3 VAL HG22 1 1
7 757 1 1 3 VAL HG23 H 6.167 6.125 -0.345 1.00 . A A . 3 VAL HG23 1 1
7 758 1 1 3 VAL N N 5.850 2.959 -2.439 1.00 . A A . 3 VAL N 1 1
7 759 1 1 3 VAL O O 8.503 4.156 -2.748 1.00 . A A . 3 VAL O 1 1
7 760 1 1 4 . C C 9.593 2.900 -5.921 1.00 . A A . 4 DLE C 1 1
7 761 1 1 4 . CA C 9.208 4.299 -5.433 1.00 . A A . 4 DLE CA 1 1
7 762 1 1 4 . CB C 9.346 5.383 -6.504 1.00 . A A . 4 DLE CB 1 1
7 763 1 1 4 . CD1 C 8.004 7.512 -6.666 1.00 . A A . 4 DLE CD1 1 1
7 764 1 1 4 . CD2 C 10.504 7.608 -6.246 1.00 . A A . 4 DLE CD2 1 1
7 765 1 1 4 . CG C 9.209 6.827 -6.017 1.00 . A A . 4 DLE CG 1 1
7 766 1 1 4 . H H 7.132 4.304 -5.603 1.00 . A A . 4 DLE H 1 1
7 767 1 1 4 . HA H 9.869 4.572 -4.611 1.00 . A A . 4 DLE HA 1 1
7 768 1 1 4 . HB2 H 8.592 5.206 -7.271 1.00 . A A . 4 DLE HB2 1 1
7 769 1 1 4 . HB3 H 10.319 5.272 -6.981 1.00 . A A . 4 DLE HB3 1 1
7 770 1 1 4 . HD11 H 7.086 7.037 -6.321 1.00 . A A . 4 DLE HD11 1 1
7 771 1 1 4 . HD12 H 8.075 7.421 -7.750 1.00 . A A . 4 DLE HD12 1 1
7 772 1 1 4 . HD13 H 7.994 8.566 -6.390 1.00 . A A . 4 DLE HD13 1 1
7 773 1 1 4 . HD21 H 10.726 7.640 -7.313 1.00 . A A . 4 DLE HD21 1 1
7 774 1 1 4 . HD22 H 11.322 7.117 -5.719 1.00 . A A . 4 DLE HD22 1 1
7 775 1 1 4 . HD23 H 10.387 8.624 -5.869 1.00 . A A . 4 DLE HD23 1 1
7 776 1 1 4 . HG H 9.028 6.810 -4.943 1.00 . A A . 4 DLE HG 1 1
7 777 1 1 4 . N N 7.852 4.269 -4.911 1.00 . A A . 4 DLE N 1 1
7 778 1 1 4 . O O 10.272 2.726 -6.933 1.00 . A A . 4 DLE O 1 1
7 779 1 1 5 TYR C C 8.153 -0.221 -5.926 1.00 . A A . 5 TYR C 1 1
7 780 1 1 5 TYR CA C 9.424 0.509 -5.503 1.00 . A A . 5 TYR CA 1 1
7 781 1 1 5 TYR CB C 10.061 -0.202 -4.308 1.00 . A A . 5 TYR CB 1 1
7 782 1 1 5 TYR CD1 C 12.238 0.954 -3.759 1.00 . A A . 5 TYR CD1 1 1
7 783 1 1 5 TYR CD2 C 10.377 1.315 -2.313 1.00 . A A . 5 TYR CD2 1 1
7 784 1 1 5 TYR CE1 C 13.015 1.782 -2.973 1.00 . A A . 5 TYR CE1 1 1
7 785 1 1 5 TYR CE2 C 11.147 2.145 -1.522 1.00 . A A . 5 TYR CE2 1 1
7 786 1 1 5 TYR CG C 10.908 0.705 -3.444 1.00 . A A . 5 TYR CG 1 1
7 787 1 1 5 TYR CZ C 12.465 2.375 -1.855 1.00 . A A . 5 TYR CZ 1 1
7 788 1 1 5 TYR H H 8.605 2.103 -4.377 1.00 . A A . 5 TYR H 1 1
7 789 1 1 5 TYR HA H 10.122 0.500 -6.328 1.00 . A A . 5 TYR HA 1 1
7 790 1 1 5 TYR HB2 H 9.281 -0.616 -3.687 1.00 . A A . 5 TYR HB2 1 1
7 791 1 1 5 TYR HB3 H 10.691 -1.002 -4.667 1.00 . A A . 5 TYR HB3 1 1
7 792 1 1 5 TYR HD1 H 12.665 0.489 -4.635 1.00 . A A . 5 TYR HD1 1 1
7 793 1 1 5 TYR HD2 H 9.344 1.132 -2.055 1.00 . A A . 5 TYR HD2 1 1
7 794 1 1 5 TYR HE1 H 14.047 1.963 -3.234 1.00 . A A . 5 TYR HE1 1 1
7 795 1 1 5 TYR HE2 H 10.717 2.609 -0.647 1.00 . A A . 5 TYR HE2 1 1
7 796 1 1 5 TYR HH H 13.471 2.744 -0.259 1.00 . A A . 5 TYR HH 1 1
7 797 1 1 5 TYR N N 9.141 1.901 -5.172 1.00 . A A . 5 TYR N 1 1
7 798 1 1 5 TYR O O 7.550 -0.967 -5.155 1.00 . A A . 5 TYR O 1 1
7 799 1 1 5 TYR OH O 13.236 3.201 -1.070 1.00 . A A . 5 TYR OH 1 1
7 800 1 1 6 PRO C C 6.709 -2.128 -7.953 1.00 . A A . 6 PRO C 1 1
7 801 1 1 6 PRO CA C 6.533 -0.629 -7.737 1.00 . A A . 6 PRO CA 1 1
7 802 1 1 6 PRO CB C 6.346 0.087 -9.077 1.00 . A A . 6 PRO CB 1 1
7 803 1 1 6 PRO CD C 8.406 0.877 -8.156 1.00 . A A . 6 PRO CD 1 1
7 804 1 1 6 PRO CG C 7.711 0.555 -9.450 1.00 . A A . 6 PRO CG 1 1
7 805 1 1 6 PRO HA H 5.670 -0.455 -7.111 1.00 . A A . 6 PRO HA 1 1
7 806 1 1 6 PRO HB2 H 5.953 -0.607 -9.807 1.00 . A A . 6 PRO HB2 1 1
7 807 1 1 6 PRO HB3 H 5.664 0.915 -8.956 1.00 . A A . 6 PRO HB3 1 1
7 808 1 1 6 PRO HD2 H 9.458 0.644 -8.225 1.00 . A A . 6 PRO HD2 1 1
7 809 1 1 6 PRO HD3 H 8.264 1.916 -7.899 1.00 . A A . 6 PRO HD3 1 1
7 810 1 1 6 PRO HG2 H 8.237 -0.227 -9.974 1.00 . A A . 6 PRO HG2 1 1
7 811 1 1 6 PRO HG3 H 7.639 1.440 -10.066 1.00 . A A . 6 PRO HG3 1 1
7 812 1 1 6 PRO N N 7.736 -0.001 -7.181 1.00 . A A . 6 PRO N 1 1
7 813 1 1 6 PRO O O 5.760 -2.829 -8.306 1.00 . A A . 6 PRO O 1 1
7 814 1 1 7 TRP C C 8.129 -4.771 -6.582 1.00 . A A . 7 TRP C 1 1
7 815 1 1 7 TRP CA C 8.226 -4.030 -7.911 1.00 . A A . 7 TRP CA 1 1
7 816 1 1 7 TRP CB C 9.622 -4.209 -8.508 1.00 . A A . 7 TRP CB 1 1
7 817 1 1 7 TRP CD1 C 11.304 -3.999 -6.585 1.00 . A A . 7 TRP CD1 1 1
7 818 1 1 7 TRP CD2 C 11.295 -2.258 -7.994 1.00 . A A . 7 TRP CD2 1 1
7 819 1 1 7 TRP CE2 C 12.255 -2.020 -6.991 1.00 . A A . 7 TRP CE2 1 1
7 820 1 1 7 TRP CE3 C 11.113 -1.299 -8.994 1.00 . A A . 7 TRP CE3 1 1
7 821 1 1 7 TRP CG C 10.698 -3.530 -7.716 1.00 . A A . 7 TRP CG 1 1
7 822 1 1 7 TRP CH2 C 12.828 0.060 -7.952 1.00 . A A . 7 TRP CH2 1 1
7 823 1 1 7 TRP CZ2 C 13.027 -0.862 -6.961 1.00 . A A . 7 TRP CZ2 1 1
7 824 1 1 7 TRP CZ3 C 11.880 -0.150 -8.963 1.00 . A A . 7 TRP CZ3 1 1
7 825 1 1 7 TRP H H 8.642 -2.004 -7.459 1.00 . A A . 7 TRP H 1 1
7 826 1 1 7 TRP HA H 7.497 -4.441 -8.593 1.00 . A A . 7 TRP HA 1 1
7 827 1 1 7 TRP HB2 H 9.856 -5.262 -8.553 1.00 . A A . 7 TRP HB2 1 1
7 828 1 1 7 TRP HB3 H 9.634 -3.798 -9.507 1.00 . A A . 7 TRP HB3 1 1
7 829 1 1 7 TRP HD1 H 11.069 -4.942 -6.116 1.00 . A A . 7 TRP HD1 1 1
7 830 1 1 7 TRP HE1 H 12.807 -3.205 -5.351 1.00 . A A . 7 TRP HE1 1 1
7 831 1 1 7 TRP HE3 H 10.388 -1.443 -9.781 1.00 . A A . 7 TRP HE3 1 1
7 832 1 1 7 TRP HH2 H 13.405 0.972 -7.967 1.00 . A A . 7 TRP HH2 1 1
7 833 1 1 7 TRP HZ2 H 13.762 -0.685 -6.190 1.00 . A A . 7 TRP HZ2 1 1
7 834 1 1 7 TRP HZ3 H 11.753 0.603 -9.727 1.00 . A A . 7 TRP HZ3 1 1
7 835 1 1 7 TRP N N 7.926 -2.613 -7.739 1.00 . A A . 7 TRP N 1 1
7 836 1 1 7 TRP NE1 N 12.240 -3.095 -6.144 1.00 . A A . 7 TRP NE1 1 1
7 837 1 1 7 TRP O O 8.836 -5.754 -6.355 1.00 . A A . 7 TRP O 1 1
7 838 1 1 8 CYS C C 6.012 -6.021 -4.469 1.00 . A A . 8 CYS C 1 1
7 839 1 1 8 CYS CA C 7.059 -4.914 -4.400 1.00 . A A . 8 CYS CA 1 1
7 840 1 1 8 CYS CB C 6.639 -3.862 -3.372 1.00 . A A . 8 CYS CB 1 1
7 841 1 1 8 CYS H H 6.714 -3.509 -5.946 1.00 . A A . 8 CYS H 1 1
7 842 1 1 8 CYS HA H 8.002 -5.344 -4.097 1.00 . A A . 8 CYS HA 1 1
7 843 1 1 8 CYS HB2 H 6.079 -3.085 -3.872 1.00 . A A . 8 CYS HB2 1 1
7 844 1 1 8 CYS HB3 H 6.010 -4.328 -2.627 1.00 . A A . 8 CYS HB3 1 1
7 845 1 1 8 CYS N N 7.249 -4.296 -5.707 1.00 . A A . 8 CYS N 1 1
7 846 1 1 8 CYS O O 5.657 -6.616 -3.451 1.00 . A A . 8 CYS O 1 1
7 847 1 1 8 CYS SG S 8.032 -3.070 -2.505 1.00 . A A . 8 CYS SG 1 1
8 848 1 1 1 GLY C C 3.735 -0.002 -0.963 1.00 . A A . 1 GLY C 1 1
8 849 1 1 1 GLY CA C 2.363 -0.548 -1.304 1.00 . A A . 1 GLY CA 1 1
8 850 1 1 1 GLY H1 H 1.524 0.238 0.474 1.00 . A A . 1 GLY H1 1 1
8 851 1 1 1 GLY HA2 H 2.377 -1.622 -1.193 1.00 . A A . 1 GLY HA2 1 1
8 852 1 1 1 GLY HA3 H 2.138 -0.305 -2.332 1.00 . A A . 1 GLY HA3 1 1
8 853 1 1 1 GLY N N 1.321 -0.002 -0.455 1.00 . A A . 1 GLY N 1 1
8 854 1 1 1 GLY O O 4.016 0.313 0.194 1.00 . A A . 1 GLY O 1 1
8 855 1 1 2 CYS C C 6.238 1.771 -2.731 1.00 . A A . 2 CYS C 1 1
8 856 1 1 2 CYS CA C 5.945 0.620 -1.772 1.00 . A A . 2 CYS CA 1 1
8 857 1 1 2 CYS CB C 6.969 -0.498 -1.973 1.00 . A A . 2 CYS CB 1 1
8 858 1 1 2 CYS H H 4.311 -0.157 -2.872 1.00 . A A . 2 CYS H 1 1
8 859 1 1 2 CYS HA H 6.017 0.985 -0.759 1.00 . A A . 2 CYS HA 1 1
8 860 1 1 2 CYS HB2 H 7.192 -0.588 -3.026 1.00 . A A . 2 CYS HB2 1 1
8 861 1 1 2 CYS HB3 H 7.874 -0.248 -1.439 1.00 . A A . 2 CYS HB3 1 1
8 862 1 1 2 CYS N N 4.594 0.111 -1.971 1.00 . A A . 2 CYS N 1 1
8 863 1 1 2 CYS O O 6.682 1.556 -3.859 1.00 . A A . 2 CYS O 1 1
8 864 1 1 2 CYS SG S 6.412 -2.130 -1.386 1.00 . A A . 2 CYS SG 1 1
8 865 1 1 3 VAL C C 7.668 4.226 -3.581 1.00 . A A . 3 VAL C 1 1
8 866 1 1 3 VAL CA C 6.226 4.179 -3.089 1.00 . A A . 3 VAL CA 1 1
8 867 1 1 3 VAL CB C 5.920 5.469 -2.306 1.00 . A A . 3 VAL CB 1 1
8 868 1 1 3 VAL CG1 C 4.419 5.647 -2.135 1.00 . A A . 3 VAL CG1 1 1
8 869 1 1 3 VAL CG2 C 6.620 5.451 -0.955 1.00 . A A . 3 VAL CG2 1 1
8 870 1 1 3 VAL H H 5.635 3.101 -1.366 1.00 . A A . 3 VAL H 1 1
8 871 1 1 3 VAL HA H 5.565 4.135 -3.942 1.00 . A A . 3 VAL HA 1 1
8 872 1 1 3 VAL HB H 6.297 6.308 -2.872 1.00 . A A . 3 VAL HB 1 1
8 873 1 1 3 VAL HG11 H 4.214 6.055 -1.156 1.00 . A A . 3 VAL HG11 1 1
8 874 1 1 3 VAL HG12 H 4.048 6.323 -2.892 1.00 . A A . 3 VAL HG12 1 1
8 875 1 1 3 VAL HG13 H 3.929 4.690 -2.235 1.00 . A A . 3 VAL HG13 1 1
8 876 1 1 3 VAL HG21 H 7.224 6.340 -0.852 1.00 . A A . 3 VAL HG21 1 1
8 877 1 1 3 VAL HG22 H 5.881 5.425 -0.167 1.00 . A A . 3 VAL HG22 1 1
8 878 1 1 3 VAL HG23 H 7.249 4.577 -0.887 1.00 . A A . 3 VAL HG23 1 1
8 879 1 1 3 VAL N N 5.988 2.994 -2.273 1.00 . A A . 3 VAL N 1 1
8 880 1 1 3 VAL O O 8.584 4.260 -2.761 1.00 . A A . 3 VAL O 1 1
8 881 1 1 4 . C C 9.577 2.862 -5.907 1.00 . A A . 4 DLE C 1 1
8 882 1 1 4 . CA C 9.167 4.272 -5.479 1.00 . A A . 4 DLE CA 1 1
8 883 1 1 4 . CB C 9.221 5.299 -6.612 1.00 . A A . 4 DLE CB 1 1
8 884 1 1 4 . CD1 C 7.816 7.383 -6.819 1.00 . A A . 4 DLE CD1 1 1
8 885 1 1 4 . CD2 C 10.330 7.563 -6.532 1.00 . A A . 4 DLE CD2 1 1
8 886 1 1 4 . CG C 9.069 6.764 -6.197 1.00 . A A . 4 DLE CG 1 1
8 887 1 1 4 . H H 7.086 4.201 -5.556 1.00 . A A . 4 DLE H 1 1
8 888 1 1 4 . HA H 9.853 4.611 -4.703 1.00 . A A . 4 DLE HA 1 1
8 889 1 1 4 . HB2 H 8.435 5.062 -7.329 1.00 . A A . 4 DLE HB2 1 1
8 890 1 1 4 . HB3 H 10.172 5.187 -7.132 1.00 . A A . 4 DLE HB3 1 1
8 891 1 1 4 . HD11 H 7.001 6.659 -6.790 1.00 . A A . 4 DLE HD11 1 1
8 892 1 1 4 . HD12 H 8.021 7.658 -7.853 1.00 . A A . 4 DLE HD12 1 1
8 893 1 1 4 . HD13 H 7.532 8.272 -6.256 1.00 . A A . 4 DLE HD13 1 1
8 894 1 1 4 . HD21 H 11.167 7.184 -5.946 1.00 . A A . 4 DLE HD21 1 1
8 895 1 1 4 . HD22 H 10.167 8.615 -6.297 1.00 . A A . 4 DLE HD22 1 1
8 896 1 1 4 . HD23 H 10.554 7.459 -7.594 1.00 . A A . 4 DLE HD23 1 1
8 897 1 1 4 . HG H 8.943 6.801 -5.114 1.00 . A A . 4 DLE HG 1 1
8 898 1 1 4 . N N 7.837 4.228 -4.895 1.00 . A A . 4 DLE N 1 1
8 899 1 1 4 . O O 10.335 2.663 -6.857 1.00 . A A . 4 DLE O 1 1
8 900 1 1 5 TYR C C 8.108 -0.254 -5.946 1.00 . A A . 5 TYR C 1 1
8 901 1 1 5 TYR CA C 9.354 0.481 -5.461 1.00 . A A . 5 TYR CA 1 1
8 902 1 1 5 TYR CB C 9.910 -0.205 -4.212 1.00 . A A . 5 TYR CB 1 1
8 903 1 1 5 TYR CD1 C 10.313 1.554 -2.445 1.00 . A A . 5 TYR CD1 1 1
8 904 1 1 5 TYR CD2 C 12.203 0.636 -3.570 1.00 . A A . 5 TYR CD2 1 1
8 905 1 1 5 TYR CE1 C 11.145 2.363 -1.696 1.00 . A A . 5 TYR CE1 1 1
8 906 1 1 5 TYR CE2 C 13.043 1.440 -2.824 1.00 . A A . 5 TYR CE2 1 1
8 907 1 1 5 TYR CG C 10.826 0.678 -3.394 1.00 . A A . 5 TYR CG 1 1
8 908 1 1 5 TYR CZ C 12.510 2.302 -1.889 1.00 . A A . 5 TYR CZ 1 1
8 909 1 1 5 TYR H H 8.459 2.101 -4.436 1.00 . A A . 5 TYR H 1 1
8 910 1 1 5 TYR HA H 10.102 0.450 -6.239 1.00 . A A . 5 TYR HA 1 1
8 911 1 1 5 TYR HB2 H 9.090 -0.507 -3.579 1.00 . A A . 5 TYR HB2 1 1
8 912 1 1 5 TYR HB3 H 10.470 -1.080 -4.508 1.00 . A A . 5 TYR HB3 1 1
8 913 1 1 5 TYR HD1 H 9.244 1.599 -2.296 1.00 . A A . 5 TYR HD1 1 1
8 914 1 1 5 TYR HD2 H 12.618 -0.040 -4.304 1.00 . A A . 5 TYR HD2 1 1
8 915 1 1 5 TYR HE1 H 10.728 3.038 -0.963 1.00 . A A . 5 TYR HE1 1 1
8 916 1 1 5 TYR HE2 H 14.112 1.393 -2.975 1.00 . A A . 5 TYR HE2 1 1
8 917 1 1 5 TYR HH H 13.421 2.750 -0.256 1.00 . A A . 5 TYR HH 1 1
8 918 1 1 5 TYR N N 9.057 1.880 -5.180 1.00 . A A . 5 TYR N 1 1
8 919 1 1 5 TYR O O 7.488 -1.027 -5.215 1.00 . A A . 5 TYR O 1 1
8 920 1 1 5 TYR OH O 13.343 3.105 -1.145 1.00 . A A . 5 TYR OH 1 1
8 921 1 1 6 PRO C C 6.762 -2.129 -8.069 1.00 . A A . 6 PRO C 1 1
8 922 1 1 6 PRO CA C 6.558 -0.638 -7.822 1.00 . A A . 6 PRO CA 1 1
8 923 1 1 6 PRO CB C 6.409 0.109 -9.151 1.00 . A A . 6 PRO CB 1 1
8 924 1 1 6 PRO CD C 8.424 0.901 -8.138 1.00 . A A . 6 PRO CD 1 1
8 925 1 1 6 PRO CG C 7.779 0.604 -9.463 1.00 . A A . 6 PRO CG 1 1
8 926 1 1 6 PRO HA H 5.671 -0.491 -7.223 1.00 . A A . 6 PRO HA 1 1
8 927 1 1 6 PRO HB2 H 6.051 -0.572 -9.910 1.00 . A A . 6 PRO HB2 1 1
8 928 1 1 6 PRO HB3 H 5.712 0.925 -9.033 1.00 . A A . 6 PRO HB3 1 1
8 929 1 1 6 PRO HD2 H 9.481 0.683 -8.175 1.00 . A A . 6 PRO HD2 1 1
8 930 1 1 6 PRO HD3 H 8.259 1.932 -7.861 1.00 . A A . 6 PRO HD3 1 1
8 931 1 1 6 PRO HG2 H 8.334 -0.159 -9.987 1.00 . A A . 6 PRO HG2 1 1
8 932 1 1 6 PRO HG3 H 7.717 1.502 -10.059 1.00 . A A . 6 PRO HG3 1 1
8 933 1 1 6 PRO N N 7.732 -0.009 -7.209 1.00 . A A . 6 PRO N 1 1
8 934 1 1 6 PRO O O 5.841 -2.829 -8.491 1.00 . A A . 6 PRO O 1 1
8 935 1 1 7 TRP C C 8.115 -4.799 -6.700 1.00 . A A . 7 TRP C 1 1
8 936 1 1 7 TRP CA C 8.295 -4.016 -7.997 1.00 . A A . 7 TRP CA 1 1
8 937 1 1 7 TRP CB C 9.731 -4.167 -8.502 1.00 . A A . 7 TRP CB 1 1
8 938 1 1 7 TRP CD1 C 11.279 -3.893 -6.479 1.00 . A A . 7 TRP CD1 1 1
8 939 1 1 7 TRP CD2 C 11.320 -2.170 -7.910 1.00 . A A . 7 TRP CD2 1 1
8 940 1 1 7 TRP CE2 C 12.208 -1.896 -6.851 1.00 . A A . 7 TRP CE2 1 1
8 941 1 1 7 TRP CE3 C 11.181 -1.228 -8.932 1.00 . A A . 7 TRP CE3 1 1
8 942 1 1 7 TRP CG C 10.737 -3.452 -7.652 1.00 . A A . 7 TRP CG 1 1
8 943 1 1 7 TRP CH2 C 12.793 0.185 -7.802 1.00 . A A . 7 TRP CH2 1 1
8 944 1 1 7 TRP CZ2 C 12.950 -0.720 -6.787 1.00 . A A . 7 TRP CZ2 1 1
8 945 1 1 7 TRP CZ3 C 11.917 -0.061 -8.867 1.00 . A A . 7 TRP CZ3 1 1
8 946 1 1 7 TRP H H 8.664 -1.999 -7.469 1.00 . A A . 7 TRP H 1 1
8 947 1 1 7 TRP HA H 7.618 -4.412 -8.739 1.00 . A A . 7 TRP HA 1 1
8 948 1 1 7 TRP HB2 H 9.992 -5.214 -8.519 1.00 . A A . 7 TRP HB2 1 1
8 949 1 1 7 TRP HB3 H 9.795 -3.767 -9.504 1.00 . A A . 7 TRP HB3 1 1
8 950 1 1 7 TRP HD1 H 11.037 -4.836 -6.013 1.00 . A A . 7 TRP HD1 1 1
8 951 1 1 7 TRP HE1 H 12.681 -3.048 -5.162 1.00 . A A . 7 TRP HE1 1 1
8 952 1 1 7 TRP HE3 H 10.511 -1.399 -9.762 1.00 . A A . 7 TRP HE3 1 1
8 953 1 1 7 TRP HH2 H 13.348 1.111 -7.792 1.00 . A A . 7 TRP HH2 1 1
8 954 1 1 7 TRP HZ2 H 13.630 -0.516 -5.973 1.00 . A A . 7 TRP HZ2 1 1
8 955 1 1 7 TRP HZ3 H 11.822 0.680 -9.648 1.00 . A A . 7 TRP HZ3 1 1
8 956 1 1 7 TRP N N 7.971 -2.607 -7.803 1.00 . A A . 7 TRP N 1 1
8 957 1 1 7 TRP NE1 N 12.164 -2.962 -5.991 1.00 . A A . 7 TRP NE1 1 1
8 958 1 1 7 TRP O O 8.788 -5.804 -6.471 1.00 . A A . 7 TRP O 1 1
8 959 1 1 8 CYS C C 5.863 -6.065 -4.739 1.00 . A A . 8 CYS C 1 1
8 960 1 1 8 CYS CA C 6.933 -4.989 -4.581 1.00 . A A . 8 CYS CA 1 1
8 961 1 1 8 CYS CB C 6.488 -3.961 -3.538 1.00 . A A . 8 CYS CB 1 1
8 962 1 1 8 CYS H H 6.696 -3.527 -6.094 1.00 . A A . 8 CYS H 1 1
8 963 1 1 8 CYS HA H 7.848 -5.454 -4.248 1.00 . A A . 8 CYS HA 1 1
8 964 1 1 8 CYS HB2 H 5.983 -3.148 -4.039 1.00 . A A . 8 CYS HB2 1 1
8 965 1 1 8 CYS HB3 H 5.804 -4.433 -2.848 1.00 . A A . 8 CYS HB3 1 1
8 966 1 1 8 CYS N N 7.202 -4.333 -5.855 1.00 . A A . 8 CYS N 1 1
8 967 1 1 8 CYS O O 5.062 -6.026 -5.673 1.00 . A A . 8 CYS O 1 1
8 968 1 1 8 CYS SG S 7.855 -3.249 -2.567 1.00 . A A . 8 CYS SG 1 1
9 969 1 1 1 GLY C C 3.702 0.028 -1.011 1.00 . A A . 1 GLY C 1 1
9 970 1 1 1 GLY CA C 2.327 -0.504 -1.363 1.00 . A A . 1 GLY CA 1 1
9 971 1 1 1 GLY H1 H 1.862 -0.730 0.690 1.00 . A A . 1 GLY H1 1 1
9 972 1 1 1 GLY HA2 H 2.436 -1.475 -1.824 1.00 . A A . 1 GLY HA2 1 1
9 973 1 1 1 GLY HA3 H 1.863 0.169 -2.069 1.00 . A A . 1 GLY HA3 1 1
9 974 1 1 1 GLY N N 1.467 -0.630 -0.201 1.00 . A A . 1 GLY N 1 1
9 975 1 1 1 GLY O O 3.979 0.334 0.149 1.00 . A A . 1 GLY O 1 1
9 976 1 1 2 CYS C C 6.230 1.789 -2.756 1.00 . A A . 2 CYS C 1 1
9 977 1 1 2 CYS CA C 5.921 0.636 -1.805 1.00 . A A . 2 CYS CA 1 1
9 978 1 1 2 CYS CB C 6.937 -0.491 -2.005 1.00 . A A . 2 CYS CB 1 1
9 979 1 1 2 CYS H H 4.287 -0.121 -2.917 1.00 . A A . 2 CYS H 1 1
9 980 1 1 2 CYS HA H 5.990 0.995 -0.789 1.00 . A A . 2 CYS HA 1 1
9 981 1 1 2 CYS HB2 H 7.165 -0.577 -3.058 1.00 . A A . 2 CYS HB2 1 1
9 982 1 1 2 CYS HB3 H 7.841 -0.251 -1.465 1.00 . A A . 2 CYS HB3 1 1
9 983 1 1 2 CYS N N 4.567 0.139 -2.014 1.00 . A A . 2 CYS N 1 1
9 984 1 1 2 CYS O O 6.678 1.576 -3.882 1.00 . A A . 2 CYS O 1 1
9 985 1 1 2 CYS SG S 6.363 -2.121 -1.429 1.00 . A A . 2 CYS SG 1 1
9 986 1 1 3 VAL C C 7.686 4.236 -3.585 1.00 . A A . 3 VAL C 1 1
9 987 1 1 3 VAL CA C 6.241 4.198 -3.101 1.00 . A A . 3 VAL CA 1 1
9 988 1 1 3 VAL CB C 5.942 5.487 -2.312 1.00 . A A . 3 VAL CB 1 1
9 989 1 1 3 VAL CG1 C 4.442 5.678 -2.149 1.00 . A A . 3 VAL CG1 1 1
9 990 1 1 3 VAL CG2 C 6.634 5.456 -0.958 1.00 . A A . 3 VAL CG2 1 1
9 991 1 1 3 VAL H H 5.631 3.117 -1.386 1.00 . A A . 3 VAL H 1 1
9 992 1 1 3 VAL HA H 5.584 4.165 -3.958 1.00 . A A . 3 VAL HA 1 1
9 993 1 1 3 VAL HB H 6.330 6.326 -2.872 1.00 . A A . 3 VAL HB 1 1
9 994 1 1 3 VAL HG11 H 4.223 6.729 -2.028 1.00 . A A . 3 VAL HG11 1 1
9 995 1 1 3 VAL HG12 H 3.933 5.301 -3.024 1.00 . A A . 3 VAL HG12 1 1
9 996 1 1 3 VAL HG13 H 4.104 5.138 -1.276 1.00 . A A . 3 VAL HG13 1 1
9 997 1 1 3 VAL HG21 H 5.891 5.412 -0.176 1.00 . A A . 3 VAL HG21 1 1
9 998 1 1 3 VAL HG22 H 7.272 4.586 -0.899 1.00 . A A . 3 VAL HG22 1 1
9 999 1 1 3 VAL HG23 H 7.232 6.348 -0.838 1.00 . A A . 3 VAL HG23 1 1
9 1000 1 1 3 VAL N N 5.988 3.011 -2.293 1.00 . A A . 3 VAL N 1 1
9 1001 1 1 3 VAL O O 8.598 4.257 -2.760 1.00 . A A . 3 VAL O 1 1
9 1002 1 1 4 . C C 9.596 2.867 -5.908 1.00 . A A . 4 DLE C 1 1
9 1003 1 1 4 . CA C 9.195 4.278 -5.474 1.00 . A A . 4 DLE CA 1 1
9 1004 1 1 4 . CB C 9.265 5.311 -6.601 1.00 . A A . 4 DLE CB 1 1
9 1005 1 1 4 . CD1 C 7.879 7.407 -6.805 1.00 . A A . 4 DLE CD1 1 1
9 1006 1 1 4 . CD2 C 10.393 7.564 -6.505 1.00 . A A . 4 DLE CD2 1 1
9 1007 1 1 4 . CG C 9.123 6.775 -6.180 1.00 . A A . 4 DLE CG 1 1
9 1008 1 1 4 . H H 7.115 4.226 -5.563 1.00 . A A . 4 DLE H 1 1
9 1009 1 1 4 . HA H 9.880 4.607 -4.693 1.00 . A A . 4 DLE HA 1 1
9 1010 1 1 4 . HB2 H 8.481 5.084 -7.324 1.00 . A A . 4 DLE HB2 1 1
9 1011 1 1 4 . HB3 H 10.218 5.193 -7.117 1.00 . A A . 4 DLE HB3 1 1
9 1012 1 1 4 . HD11 H 7.482 8.169 -6.134 1.00 . A A . 4 DLE HD11 1 1
9 1013 1 1 4 . HD12 H 7.123 6.638 -6.968 1.00 . A A . 4 DLE HD12 1 1
9 1014 1 1 4 . HD13 H 8.144 7.865 -7.758 1.00 . A A . 4 DLE HD13 1 1
9 1015 1 1 4 . HD21 H 10.909 7.094 -7.342 1.00 . A A . 4 DLE HD21 1 1
9 1016 1 1 4 . HD22 H 11.048 7.574 -5.634 1.00 . A A . 4 DLE HD22 1 1
9 1017 1 1 4 . HD23 H 10.126 8.587 -6.771 1.00 . A A . 4 DLE HD23 1 1
9 1018 1 1 4 . HG H 8.992 6.807 -5.098 1.00 . A A . 4 DLE HG 1 1
9 1019 1 1 4 . N N 7.862 4.243 -4.898 1.00 . A A . 4 DLE N 1 1
9 1020 1 1 4 . O O 10.358 2.666 -6.854 1.00 . A A . 4 DLE O 1 1
9 1021 1 1 5 TYR C C 8.100 -0.236 -5.970 1.00 . A A . 5 TYR C 1 1
9 1022 1 1 5 TYR CA C 9.349 0.485 -5.475 1.00 . A A . 5 TYR CA 1 1
9 1023 1 1 5 TYR CB C 9.893 -0.212 -4.226 1.00 . A A . 5 TYR CB 1 1
9 1024 1 1 5 TYR CD1 C 10.301 1.535 -2.448 1.00 . A A . 5 TYR CD1 1 1
9 1025 1 1 5 TYR CD2 C 12.189 0.606 -3.567 1.00 . A A . 5 TYR CD2 1 1
9 1026 1 1 5 TYR CE1 C 11.136 2.332 -1.690 1.00 . A A . 5 TYR CE1 1 1
9 1027 1 1 5 TYR CE2 C 13.032 1.398 -2.812 1.00 . A A . 5 TYR CE2 1 1
9 1028 1 1 5 TYR CG C 10.811 0.659 -3.398 1.00 . A A . 5 TYR CG 1 1
9 1029 1 1 5 TYR CZ C 12.501 2.260 -1.876 1.00 . A A . 5 TYR CZ 1 1
9 1030 1 1 5 TYR H H 8.463 2.108 -4.446 1.00 . A A . 5 TYR H 1 1
9 1031 1 1 5 TYR HA H 10.102 0.452 -6.249 1.00 . A A . 5 TYR HA 1 1
9 1032 1 1 5 TYR HB2 H 9.066 -0.509 -3.600 1.00 . A A . 5 TYR HB2 1 1
9 1033 1 1 5 TYR HB3 H 10.447 -1.090 -4.524 1.00 . A A . 5 TYR HB3 1 1
9 1034 1 1 5 TYR HD1 H 9.231 1.589 -2.305 1.00 . A A . 5 TYR HD1 1 1
9 1035 1 1 5 TYR HD2 H 12.602 -0.070 -4.302 1.00 . A A . 5 TYR HD2 1 1
9 1036 1 1 5 TYR HE1 H 10.720 3.007 -0.956 1.00 . A A . 5 TYR HE1 1 1
9 1037 1 1 5 TYR HE2 H 14.101 1.343 -2.958 1.00 . A A . 5 TYR HE2 1 1
9 1038 1 1 5 TYR HH H 12.924 3.240 -0.276 1.00 . A A . 5 TYR HH 1 1
9 1039 1 1 5 TYR N N 9.063 1.886 -5.188 1.00 . A A . 5 TYR N 1 1
9 1040 1 1 5 TYR O O 7.469 -1.008 -5.247 1.00 . A A . 5 TYR O 1 1
9 1041 1 1 5 TYR OH O 13.337 3.053 -1.123 1.00 . A A . 5 TYR OH 1 1
9 1042 1 1 6 PRO C C 6.749 -2.088 -8.111 1.00 . A A . 6 PRO C 1 1
9 1043 1 1 6 PRO CA C 6.557 -0.596 -7.858 1.00 . A A . 6 PRO CA 1 1
9 1044 1 1 6 PRO CB C 6.422 0.158 -9.183 1.00 . A A . 6 PRO CB 1 1
9 1045 1 1 6 PRO CD C 8.438 0.928 -8.155 1.00 . A A . 6 PRO CD 1 1
9 1046 1 1 6 PRO CG C 7.798 0.643 -9.485 1.00 . A A . 6 PRO CG 1 1
9 1047 1 1 6 PRO HA H 5.668 -0.445 -7.263 1.00 . A A . 6 PRO HA 1 1
9 1048 1 1 6 PRO HB2 H 6.062 -0.515 -9.948 1.00 . A A . 6 PRO HB2 1 1
9 1049 1 1 6 PRO HB3 H 5.732 0.980 -9.065 1.00 . A A . 6 PRO HB3 1 1
9 1050 1 1 6 PRO HD2 H 9.494 0.701 -8.187 1.00 . A A . 6 PRO HD2 1 1
9 1051 1 1 6 PRO HD3 H 8.281 1.958 -7.873 1.00 . A A . 6 PRO HD3 1 1
9 1052 1 1 6 PRO HG2 H 8.350 -0.122 -10.010 1.00 . A A . 6 PRO HG2 1 1
9 1053 1 1 6 PRO HG3 H 7.748 1.544 -10.077 1.00 . A A . 6 PRO HG3 1 1
9 1054 1 1 6 PRO N N 7.733 0.019 -7.235 1.00 . A A . 6 PRO N 1 1
9 1055 1 1 6 PRO O O 5.825 -2.777 -8.542 1.00 . A A . 6 PRO O 1 1
9 1056 1 1 7 TRP C C 8.071 -4.777 -6.749 1.00 . A A . 7 TRP C 1 1
9 1057 1 1 7 TRP CA C 8.265 -3.989 -8.040 1.00 . A A . 7 TRP CA 1 1
9 1058 1 1 7 TRP CB C 9.703 -4.150 -8.538 1.00 . A A . 7 TRP CB 1 1
9 1059 1 1 7 TRP CD1 C 11.242 -3.899 -6.504 1.00 . A A . 7 TRP CD1 1 1
9 1060 1 1 7 TRP CD2 C 11.306 -2.170 -7.926 1.00 . A A . 7 TRP CD2 1 1
9 1061 1 1 7 TRP CE2 C 12.190 -1.909 -6.861 1.00 . A A . 7 TRP CE2 1 1
9 1062 1 1 7 TRP CE3 C 11.180 -1.221 -8.944 1.00 . A A . 7 TRP CE3 1 1
9 1063 1 1 7 TRP CG C 10.711 -3.448 -7.679 1.00 . A A . 7 TRP CG 1 1
9 1064 1 1 7 TRP CH2 C 12.798 0.172 -7.798 1.00 . A A . 7 TRP CH2 1 1
9 1065 1 1 7 TRP CZ2 C 12.942 -0.739 -6.787 1.00 . A A . 7 TRP CZ2 1 1
9 1066 1 1 7 TRP CZ3 C 11.926 -0.061 -8.870 1.00 . A A . 7 TRP CZ3 1 1
9 1067 1 1 7 TRP H H 8.649 -1.978 -7.500 1.00 . A A . 7 TRP H 1 1
9 1068 1 1 7 TRP HA H 7.589 -4.375 -8.788 1.00 . A A . 7 TRP HA 1 1
9 1069 1 1 7 TRP HB2 H 9.955 -5.199 -8.558 1.00 . A A . 7 TRP HB2 1 1
9 1070 1 1 7 TRP HB3 H 9.776 -3.746 -9.537 1.00 . A A . 7 TRP HB3 1 1
9 1071 1 1 7 TRP HD1 H 10.989 -4.843 -6.045 1.00 . A A . 7 TRP HD1 1 1
9 1072 1 1 7 TRP HE1 H 12.644 -3.073 -5.176 1.00 . A A . 7 TRP HE1 1 1
9 1073 1 1 7 TRP HE3 H 10.514 -1.383 -9.779 1.00 . A A . 7 TRP HE3 1 1
9 1074 1 1 7 TRP HH2 H 13.361 1.093 -7.780 1.00 . A A . 7 TRP HH2 1 1
9 1075 1 1 7 TRP HZ2 H 13.619 -0.545 -5.968 1.00 . A A . 7 TRP HZ2 1 1
9 1076 1 1 7 TRP HZ3 H 11.842 0.684 -9.647 1.00 . A A . 7 TRP HZ3 1 1
9 1077 1 1 7 TRP N N 7.953 -2.579 -7.841 1.00 . A A . 7 TRP N 1 1
9 1078 1 1 7 TRP NE1 N 12.133 -2.978 -6.007 1.00 . A A . 7 TRP NE1 1 1
9 1079 1 1 7 TRP O O 8.734 -5.789 -6.521 1.00 . A A . 7 TRP O 1 1
9 1080 1 1 8 CYS C C 5.797 -6.033 -4.806 1.00 . A A . 8 CYS C 1 1
9 1081 1 1 8 CYS CA C 6.875 -4.967 -4.637 1.00 . A A . 8 CYS CA 1 1
9 1082 1 1 8 CYS CB C 6.434 -3.941 -3.591 1.00 . A A . 8 CYS CB 1 1
9 1083 1 1 8 CYS H H 6.660 -3.495 -6.143 1.00 . A A . 8 CYS H 1 1
9 1084 1 1 8 CYS HA H 7.784 -5.443 -4.301 1.00 . A A . 8 CYS HA 1 1
9 1085 1 1 8 CYS HB2 H 5.939 -3.120 -4.090 1.00 . A A . 8 CYS HB2 1 1
9 1086 1 1 8 CYS HB3 H 5.742 -4.410 -2.908 1.00 . A A . 8 CYS HB3 1 1
9 1087 1 1 8 CYS N N 7.157 -4.307 -5.906 1.00 . A A . 8 CYS N 1 1
9 1088 1 1 8 CYS O O 5.499 -6.782 -3.875 1.00 . A A . 8 CYS O 1 1
9 1089 1 1 8 CYS SG S 7.802 -3.246 -2.608 1.00 . A A . 8 CYS SG 1 1
10 1090 1 1 1 GLY C C 3.778 -0.001 -0.916 1.00 . A A . 1 GLY C 1 1
10 1091 1 1 1 GLY CA C 2.401 -0.542 -1.248 1.00 . A A . 1 GLY CA 1 1
10 1092 1 1 1 GLY H1 H 0.456 0.029 -0.638 1.00 . A A . 1 GLY H1 1 1
10 1093 1 1 1 GLY HA2 H 2.431 -1.621 -1.209 1.00 . A A . 1 GLY HA2 1 1
10 1094 1 1 1 GLY HA3 H 2.139 -0.236 -2.250 1.00 . A A . 1 GLY HA3 1 1
10 1095 1 1 1 GLY N N 1.382 -0.068 -0.331 1.00 . A A . 1 GLY N 1 1
10 1096 1 1 1 GLY O O 4.069 0.310 0.239 1.00 . A A . 1 GLY O 1 1
10 1097 1 1 2 CYS C C 6.272 1.767 -2.701 1.00 . A A . 2 CYS C 1 1
10 1098 1 1 2 CYS CA C 5.983 0.617 -1.742 1.00 . A A . 2 CYS CA 1 1
10 1099 1 1 2 CYS CB C 7.002 -0.505 -1.951 1.00 . A A . 2 CYS CB 1 1
10 1100 1 1 2 CYS H H 4.338 -0.153 -2.830 1.00 . A A . 2 CYS H 1 1
10 1101 1 1 2 CYS HA H 6.063 0.980 -0.729 1.00 . A A . 2 CYS HA 1 1
10 1102 1 1 2 CYS HB2 H 7.217 -0.594 -3.007 1.00 . A A . 2 CYS HB2 1 1
10 1103 1 1 2 CYS HB3 H 7.911 -0.258 -1.424 1.00 . A A . 2 CYS HB3 1 1
10 1104 1 1 2 CYS N N 4.628 0.111 -1.931 1.00 . A A . 2 CYS N 1 1
10 1105 1 1 2 CYS O O 6.707 1.553 -3.833 1.00 . A A . 2 CYS O 1 1
10 1106 1 1 2 CYS SG S 6.444 -2.136 -1.362 1.00 . A A . 2 CYS SG 1 1
10 1107 1 1 3 VAL C C 7.703 4.219 -3.559 1.00 . A A . 3 VAL C 1 1
10 1108 1 1 3 VAL CA C 6.265 4.176 -3.056 1.00 . A A . 3 VAL CA 1 1
10 1109 1 1 3 VAL CB C 5.969 5.466 -2.269 1.00 . A A . 3 VAL CB 1 1
10 1110 1 1 3 VAL CG1 C 4.470 5.649 -2.087 1.00 . A A . 3 VAL CG1 1 1
10 1111 1 1 3 VAL CG2 C 6.678 5.444 -0.924 1.00 . A A . 3 VAL CG2 1 1
10 1112 1 1 3 VAL H H 5.683 3.098 -1.330 1.00 . A A . 3 VAL H 1 1
10 1113 1 1 3 VAL HA H 5.597 4.135 -3.905 1.00 . A A . 3 VAL HA 1 1
10 1114 1 1 3 VAL HB H 6.345 6.304 -2.837 1.00 . A A . 3 VAL HB 1 1
10 1115 1 1 3 VAL HG11 H 4.283 6.549 -1.519 1.00 . A A . 3 VAL HG11 1 1
10 1116 1 1 3 VAL HG12 H 3.996 5.728 -3.055 1.00 . A A . 3 VAL HG12 1 1
10 1117 1 1 3 VAL HG13 H 4.065 4.799 -1.557 1.00 . A A . 3 VAL HG13 1 1
10 1118 1 1 3 VAL HG21 H 5.945 5.420 -0.131 1.00 . A A . 3 VAL HG21 1 1
10 1119 1 1 3 VAL HG22 H 7.305 4.566 -0.861 1.00 . A A . 3 VAL HG22 1 1
10 1120 1 1 3 VAL HG23 H 7.289 6.329 -0.823 1.00 . A A . 3 VAL HG23 1 1
10 1121 1 1 3 VAL N N 6.029 2.990 -2.240 1.00 . A A . 3 VAL N 1 1
10 1122 1 1 3 VAL O O 8.625 4.249 -2.746 1.00 . A A . 3 VAL O 1 1
10 1123 1 1 4 . C C 9.591 2.852 -5.902 1.00 . A A . 4 DLE C 1 1
10 1124 1 1 4 . CA C 9.188 4.263 -5.468 1.00 . A A . 4 DLE CA 1 1
10 1125 1 1 4 . CB C 9.237 5.291 -6.600 1.00 . A A . 4 DLE CB 1 1
10 1126 1 1 4 . CD1 C 7.835 7.379 -6.793 1.00 . A A . 4 DLE CD1 1 1
10 1127 1 1 4 . CD2 C 10.352 7.552 -6.528 1.00 . A A . 4 DLE CD2 1 1
10 1128 1 1 4 . CG C 9.092 6.756 -6.182 1.00 . A A . 4 DLE CG 1 1
10 1129 1 1 4 . H H 7.106 4.198 -5.529 1.00 . A A . 4 DLE H 1 1
10 1130 1 1 4 . HA H 9.881 4.599 -4.697 1.00 . A A . 4 DLE HA 1 1
10 1131 1 1 4 . HB2 H 8.445 5.057 -7.312 1.00 . A A . 4 DLE HB2 1 1
10 1132 1 1 4 . HB3 H 10.184 5.177 -7.127 1.00 . A A . 4 DLE HB3 1 1
10 1133 1 1 4 . HD11 H 6.954 7.007 -6.269 1.00 . A A . 4 DLE HD11 1 1
10 1134 1 1 4 . HD12 H 7.771 7.109 -7.847 1.00 . A A . 4 DLE HD12 1 1
10 1135 1 1 4 . HD13 H 7.883 8.463 -6.698 1.00 . A A . 4 DLE HD13 1 1
10 1136 1 1 4 . HD21 H 11.225 6.906 -6.440 1.00 . A A . 4 DLE HD21 1 1
10 1137 1 1 4 . HD22 H 10.450 8.393 -5.840 1.00 . A A . 4 DLE HD22 1 1
10 1138 1 1 4 . HD23 H 10.277 7.925 -7.549 1.00 . A A . 4 DLE HD23 1 1
10 1139 1 1 4 . HG H 8.975 6.792 -5.099 1.00 . A A . 4 DLE HG 1 1
10 1140 1 1 4 . N N 7.862 4.223 -4.875 1.00 . A A . 4 DLE N 1 1
10 1141 1 1 4 . O O 10.341 2.652 -6.857 1.00 . A A . 4 DLE O 1 1
10 1142 1 1 5 TYR C C 8.112 -0.260 -5.933 1.00 . A A . 5 TYR C 1 1
10 1143 1 1 5 TYR CA C 9.363 0.471 -5.456 1.00 . A A . 5 TYR CA 1 1
10 1144 1 1 5 TYR CB C 9.927 -0.218 -4.212 1.00 . A A . 5 TYR CB 1 1
10 1145 1 1 5 TYR CD1 C 10.348 1.537 -2.446 1.00 . A A . 5 TYR CD1 1 1
10 1146 1 1 5 TYR CD2 C 12.227 0.615 -3.586 1.00 . A A . 5 TYR CD2 1 1
10 1147 1 1 5 TYR CE1 C 11.189 2.343 -1.702 1.00 . A A . 5 TYR CE1 1 1
10 1148 1 1 5 TYR CE2 C 13.075 1.415 -2.846 1.00 . A A . 5 TYR CE2 1 1
10 1149 1 1 5 TYR CG C 10.851 0.661 -3.400 1.00 . A A . 5 TYR CG 1 1
10 1150 1 1 5 TYR CZ C 12.551 2.278 -1.905 1.00 . A A . 5 TYR CZ 1 1
10 1151 1 1 5 TYR H H 8.481 2.093 -4.422 1.00 . A A . 5 TYR H 1 1
10 1152 1 1 5 TYR HA H 10.105 0.439 -6.240 1.00 . A A . 5 TYR HA 1 1
10 1153 1 1 5 TYR HB2 H 9.110 -0.518 -3.574 1.00 . A A . 5 TYR HB2 1 1
10 1154 1 1 5 TYR HB3 H 10.482 -1.094 -4.514 1.00 . A A . 5 TYR HB3 1 1
10 1155 1 1 5 TYR HD1 H 9.280 1.586 -2.290 1.00 . A A . 5 TYR HD1 1 1
10 1156 1 1 5 TYR HD2 H 12.634 -0.061 -4.324 1.00 . A A . 5 TYR HD2 1 1
10 1157 1 1 5 TYR HE1 H 10.779 3.018 -0.966 1.00 . A A . 5 TYR HE1 1 1
10 1158 1 1 5 TYR HE2 H 14.142 1.365 -3.005 1.00 . A A . 5 TYR HE2 1 1
10 1159 1 1 5 TYR HH H 12.884 3.776 -0.747 1.00 . A A . 5 TYR HH 1 1
10 1160 1 1 5 TYR N N 9.073 1.871 -5.172 1.00 . A A . 5 TYR N 1 1
10 1161 1 1 5 TYR O O 7.495 -1.032 -5.198 1.00 . A A . 5 TYR O 1 1
10 1162 1 1 5 TYR OH O 13.393 3.078 -1.167 1.00 . A A . 5 TYR OH 1 1
10 1163 1 1 6 PRO C C 6.743 -2.127 -8.048 1.00 . A A . 6 PRO C 1 1
10 1164 1 1 6 PRO CA C 6.546 -0.635 -7.798 1.00 . A A . 6 PRO CA 1 1
10 1165 1 1 6 PRO CB C 6.389 0.113 -9.124 1.00 . A A . 6 PRO CB 1 1
10 1166 1 1 6 PRO CD C 8.414 0.898 -8.125 1.00 . A A . 6 PRO CD 1 1
10 1167 1 1 6 PRO CG C 7.759 0.604 -9.446 1.00 . A A . 6 PRO CG 1 1
10 1168 1 1 6 PRO HA H 5.664 -0.487 -7.192 1.00 . A A . 6 PRO HA 1 1
10 1169 1 1 6 PRO HB2 H 6.024 -0.565 -9.882 1.00 . A A . 6 PRO HB2 1 1
10 1170 1 1 6 PRO HB3 H 5.696 0.931 -9.000 1.00 . A A . 6 PRO HB3 1 1
10 1171 1 1 6 PRO HD2 H 9.471 0.677 -8.171 1.00 . A A . 6 PRO HD2 1 1
10 1172 1 1 6 PRO HD3 H 8.255 1.929 -7.846 1.00 . A A . 6 PRO HD3 1 1
10 1173 1 1 6 PRO HG2 H 8.307 -0.160 -9.976 1.00 . A A . 6 PRO HG2 1 1
10 1174 1 1 6 PRO HG3 H 7.695 1.503 -10.041 1.00 . A A . 6 PRO HG3 1 1
10 1175 1 1 6 PRO N N 7.727 -0.011 -7.193 1.00 . A A . 6 PRO N 1 1
10 1176 1 1 6 PRO O O 5.817 -2.823 -8.464 1.00 . A A . 6 PRO O 1 1
10 1177 1 1 7 TRP C C 8.098 -4.803 -6.693 1.00 . A A . 7 TRP C 1 1
10 1178 1 1 7 TRP CA C 8.271 -4.020 -7.990 1.00 . A A . 7 TRP CA 1 1
10 1179 1 1 7 TRP CB C 9.703 -4.174 -8.506 1.00 . A A . 7 TRP CB 1 1
10 1180 1 1 7 TRP CD1 C 11.268 -3.907 -6.494 1.00 . A A . 7 TRP CD1 1 1
10 1181 1 1 7 TRP CD2 C 11.303 -2.183 -7.923 1.00 . A A . 7 TRP CD2 1 1
10 1182 1 1 7 TRP CE2 C 12.199 -1.913 -6.871 1.00 . A A . 7 TRP CE2 1 1
10 1183 1 1 7 TRP CE3 C 11.158 -1.239 -8.943 1.00 . A A . 7 TRP CE3 1 1
10 1184 1 1 7 TRP CG C 10.718 -3.463 -7.663 1.00 . A A . 7 TRP CG 1 1
10 1185 1 1 7 TRP CH2 C 12.783 0.168 -7.823 1.00 . A A . 7 TRP CH2 1 1
10 1186 1 1 7 TRP CZ2 C 12.945 -0.738 -6.811 1.00 . A A . 7 TRP CZ2 1 1
10 1187 1 1 7 TRP CZ3 C 11.899 -0.073 -8.882 1.00 . A A . 7 TRP CZ3 1 1
10 1188 1 1 7 TRP H H 8.651 -2.004 -7.463 1.00 . A A . 7 TRP H 1 1
10 1189 1 1 7 TRP HA H 7.588 -4.412 -8.728 1.00 . A A . 7 TRP HA 1 1
10 1190 1 1 7 TRP HB2 H 9.961 -5.222 -8.526 1.00 . A A . 7 TRP HB2 1 1
10 1191 1 1 7 TRP HB3 H 9.761 -3.773 -9.508 1.00 . A A . 7 TRP HB3 1 1
10 1192 1 1 7 TRP HD1 H 11.026 -4.850 -6.028 1.00 . A A . 7 TRP HD1 1 1
10 1193 1 1 7 TRP HE1 H 12.682 -3.068 -5.187 1.00 . A A . 7 TRP HE1 1 1
10 1194 1 1 7 TRP HE3 H 10.481 -1.407 -9.768 1.00 . A A . 7 TRP HE3 1 1
10 1195 1 1 7 TRP HH2 H 13.341 1.092 -7.816 1.00 . A A . 7 TRP HH2 1 1
10 1196 1 1 7 TRP HZ2 H 13.632 -0.538 -6.001 1.00 . A A . 7 TRP HZ2 1 1
10 1197 1 1 7 TRP HZ3 H 11.800 0.668 -9.662 1.00 . A A . 7 TRP HZ3 1 1
10 1198 1 1 7 TRP N N 7.954 -2.610 -7.792 1.00 . A A . 7 TRP N 1 1
10 1199 1 1 7 TRP NE1 N 12.159 -2.979 -6.012 1.00 . A A . 7 TRP NE1 1 1
10 1200 1 1 7 TRP O O 8.770 -5.811 -6.471 1.00 . A A . 7 TRP O 1 1
10 1201 1 1 8 CYS C C 5.857 -6.065 -4.717 1.00 . A A . 8 CYS C 1 1
10 1202 1 1 8 CYS CA C 6.932 -4.992 -4.565 1.00 . A A . 8 CYS CA 1 1
10 1203 1 1 8 CYS CB C 6.498 -3.965 -3.518 1.00 . A A . 8 CYS CB 1 1
10 1204 1 1 8 CYS H H 6.688 -3.527 -6.074 1.00 . A A . 8 CYS H 1 1
10 1205 1 1 8 CYS HA H 7.848 -5.461 -4.240 1.00 . A A . 8 CYS HA 1 1
10 1206 1 1 8 CYS HB2 H 5.992 -3.149 -4.013 1.00 . A A . 8 CYS HB2 1 1
10 1207 1 1 8 CYS HB3 H 5.818 -4.435 -2.823 1.00 . A A . 8 CYS HB3 1 1
10 1208 1 1 8 CYS N N 7.193 -4.335 -5.840 1.00 . A A . 8 CYS N 1 1
10 1209 1 1 8 CYS O O 5.032 -6.007 -5.629 1.00 . A A . 8 CYS O 1 1
10 1210 1 1 8 CYS SG S 7.874 -3.258 -2.556 1.00 . A A . 8 CYS SG 1 1
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