NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
568310 |
2m6h   |
19133 | cing | 4-filtered-FRED | STAR | entry | full | 29 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2m6h
# This FRED archive file contains, for PDB entry <2m6h>:
#
# - 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_2m6h
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2m6h
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 942.05
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_Lo A . 1 1
stop_
save_
save_Contryphan_Lo
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Contryphan Lo"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code GCPXDPWC
_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 PRO . 1 1
4 DTR $DTR 1 1
5 ASP . 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
PRO 3 3 1 1
DTR 4 4 1 1
ASP 5 5 1 1
PRO 6 6 1 1
TRP 7 7 1 1
CYS 8 8 1 1
stop_
save_
save_DTR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DTR
_Chem_comp.Type non-polymer
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 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 . . . . . . . 4.25 1 1
stop_
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 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
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 QA . 1 GLY QA 1 2
1 1 2 1 1 2 CYS H . 2 CYSS H 1 2
2 1 1 1 1 2 CYS H . 2 CYSS H 1 2
2 1 2 1 1 2 CYS QB . 2 CYSS QB 1 2
3 1 1 1 1 2 CYS HA . 2 CYSS HA 1 2
3 1 2 1 1 3 PRO QD . 3 PRO QD 1 2
4 1 1 1 1 2 CYS H . 2 CYSS H 1 2
4 1 2 1 1 6 PRO HA . 6 PRO HA 1 2
5 1 1 1 1 3 PRO HA . 3 PRO HA 1 2
5 1 2 1 1 4 DTR H . 4 DTR H 1 2
6 1 1 1 1 4 DTR H . 4 DTR H 1 2
6 1 2 1 1 4 DTR HA . 4 DTR HA 1 2
7 1 1 1 1 4 DTR H . 4 DTR H 1 2
7 1 2 1 1 5 ASP H . 5 ASP H 1 2
8 1 1 1 1 3 PRO HA . 3 PRO HA 1 2
8 1 2 1 1 4 DTR HD1 . 4 DTR HD1 1 2
9 1 1 1 1 4 DTR HA . 4 DTR HA 1 2
9 1 2 1 1 5 ASP H . 5 ASP H 1 2
10 1 1 1 1 5 ASP HA . 5 ASP HA 1 2
10 1 2 1 1 6 PRO QD . 6 PRO QD 1 2
11 1 1 1 1 6 PRO HA . 6 PRO HA 1 2
11 1 2 1 1 7 TRP H . 7 TRP H 1 2
12 1 1 1 1 6 PRO QD . 6 PRO QD 1 2
12 1 2 1 1 7 TRP H . 7 TRP H 1 2
13 1 1 1 1 6 PRO QG . 6 PRO QG 1 2
13 1 2 1 1 7 TRP H . 7 TRP H 1 2
14 1 1 1 1 7 TRP HA . 7 TRP HA 1 2
14 1 2 1 1 7 TRP HE3 . 7 TRP HE3 1 2
15 1 1 1 1 7 TRP HA . 7 TRP HA 1 2
15 1 2 1 1 8 CYS H . 8 CYSS H 1 2
16 1 1 1 1 7 TRP H . 7 TRP H 1 2
16 1 2 1 1 8 CYS H . 8 CYSS H 1 2
17 1 1 1 1 8 CYS H . 8 CYSS H 1 2
17 1 2 1 1 8 CYS QB . 8 CYSS QB 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 . . . . . . . 2.5 1 2
2 1 . . . . . . . 3.5 1 2
3 1 . . . . . . . 2.5 1 2
4 1 . . . . . . . 3.5 1 2
5 1 . . . . . . . 2.5 1 2
6 1 . . . . . . . 3.5 1 2
7 1 . . . . . . . 5.0 1 2
8 1 . . . . . . . 5.0 1 2
9 1 . . . . . . . 3.0 1 2
10 1 . . . . . . . 2.5 1 2
11 1 . . . . . . . 3.5 1 2
12 1 . . . . . . . 3.5 1 2
13 1 . . . . . . . 5.0 1 2
14 1 . . . . . . . 3.5 1 2
15 1 . . . . . . . 5.0 1 2
16 1 . . . . . . . 2.5 1 2
17 1 . . . . . . . 3.5 1 2
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 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
4 1 . . . 1 3
5 1 . . . 1 3
6 1 . . . 1 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 CYS N . 2 CYSS N 1 3
1 1 2 1 1 5 ASP O . 5 ASP O 1 3
2 1 1 1 1 2 CYS H . 2 CYSS H 1 3
2 1 2 1 1 5 ASP O . 5 ASP O 1 3
3 1 1 1 1 5 ASP O . 5 ASP O 1 3
3 1 2 1 1 8 CYS H . 8 CYSS H 1 3
4 1 1 1 1 5 ASP O . 5 ASP O 1 3
4 1 2 1 1 8 CYS N . 8 CYSS N 1 3
5 1 1 1 1 2 CYS O . 2 CYSS O 1 3
5 1 2 1 1 5 ASP H . 5 ASP H 1 3
6 1 1 1 1 2 CYS O . 2 CYSS O 1 3
6 1 2 1 1 5 ASP N . 5 ASP 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 . . . . . . . 2.2 1 3
4 1 . . . . . . . 3.2 1 3
5 1 . . . . . . . 2.2 1 3
6 1 . . . . . . . 3.2 1 3
stop_
save_
save_DYANA/DIANA_dihedral_5
_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 -140.0 -89.99999 . 2 CYSS . . 2 CYSS . . 2 CYSS . . 2 CYSS . 1 1
2 PHI 1 1 4 DTR C 1 1 5 ASP N 1 1 5 ASP CA 1 1 5 ASP C -140.0 -89.99999 . 5 ASP . . 5 ASP . . 5 ASP . . 5 ASP . 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 1.664 -1.135 -2.165 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 1.901 0.939 -1.754 1.00 . A A . 1 GLY HA2 1 1
1 5 1 1 1 GLY HA3 H 3.125 -0.091 -1.026 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 0.507 -1.557 -2.167 1.00 . A A . 1 GLY O 1 1
1 8 1 1 2 CYS C C 3.095 -3.986 -3.457 1.00 . A A . 2 CYS C 1 1
1 9 1 1 2 CYS CA C 2.351 -2.722 -3.878 1.00 . A A . 2 CYS CA 1 1
1 10 1 1 2 CYS CB C 2.761 -2.324 -5.297 1.00 . A A . 2 CYS CB 1 1
1 11 1 1 2 CYS H H 3.520 -1.251 -2.902 1.00 . A A . 2 CYS H 1 1
1 12 1 1 2 CYS HA H 1.290 -2.921 -3.862 1.00 . A A . 2 CYS HA 1 1
1 13 1 1 2 CYS HB2 H 3.839 -2.344 -5.371 1.00 . A A . 2 CYS HB2 1 1
1 14 1 1 2 CYS HB3 H 2.344 -3.033 -5.996 1.00 . A A . 2 CYS HB3 1 1
1 15 1 1 2 CYS N N 2.616 -1.630 -2.949 1.00 . A A . 2 CYS N 1 1
1 16 1 1 2 CYS O O 4.120 -3.936 -2.777 1.00 . A A . 2 CYS O 1 1
1 17 1 1 2 CYS SG S 2.204 -0.662 -5.793 1.00 . A A . 2 CYS SG 1 1
1 18 1 1 3 PRO C C 4.485 -6.674 -4.279 1.00 . A A . 3 PRO C 1 1
1 19 1 1 3 PRO CA C 3.165 -6.448 -3.550 1.00 . A A . 3 PRO CA 1 1
1 20 1 1 3 PRO CB C 2.112 -7.450 -4.028 1.00 . A A . 3 PRO CB 1 1
1 21 1 1 3 PRO CD C 1.348 -5.283 -4.685 1.00 . A A . 3 PRO CD 1 1
1 22 1 1 3 PRO CG C 1.358 -6.730 -5.092 1.00 . A A . 3 PRO CG 1 1
1 23 1 1 3 PRO HA H 3.318 -6.562 -2.487 1.00 . A A . 3 PRO HA 1 1
1 24 1 1 3 PRO HB2 H 2.601 -8.332 -4.417 1.00 . A A . 3 PRO HB2 1 1
1 25 1 1 3 PRO HB3 H 1.469 -7.722 -3.204 1.00 . A A . 3 PRO HB3 1 1
1 26 1 1 3 PRO HD2 H 1.392 -4.645 -5.555 1.00 . A A . 3 PRO HD2 1 1
1 27 1 1 3 PRO HD3 H 0.468 -5.063 -4.098 1.00 . A A . 3 PRO HD3 1 1
1 28 1 1 3 PRO HG2 H 1.859 -6.849 -6.041 1.00 . A A . 3 PRO HG2 1 1
1 29 1 1 3 PRO HG3 H 0.349 -7.111 -5.149 1.00 . A A . 3 PRO HG3 1 1
1 30 1 1 3 PRO N N 2.568 -5.148 -3.871 1.00 . A A . 3 PRO N 1 1
1 31 1 1 3 PRO O O 4.477 -6.859 -5.495 1.00 . A A . 3 PRO O 1 1
1 32 1 1 4 DTR C C 7.569 -5.495 -4.248 1.00 . A A . 4 DTR C 1 1
1 33 1 1 4 DTR CA C 6.891 -6.861 -4.118 1.00 . A A . 4 DTR CA 1 1
1 34 1 1 4 DTR CB C 7.710 -7.859 -3.296 1.00 . A A . 4 DTR CB 1 1
1 35 1 1 4 DTR CD1 C 6.426 -9.989 -3.983 1.00 . A A . 4 DTR CD1 1 1
1 36 1 1 4 DTR CD2 C 8.626 -10.244 -4.021 1.00 . A A . 4 DTR CD2 1 1
1 37 1 1 4 DTR CE2 C 8.065 -11.445 -4.405 1.00 . A A . 4 DTR CE2 1 1
1 38 1 1 4 DTR CE3 C 10.020 -10.078 -3.943 1.00 . A A . 4 DTR CE3 1 1
1 39 1 1 4 DTR CG C 7.558 -9.312 -3.751 1.00 . A A . 4 DTR CG 1 1
1 40 1 1 4 DTR CH2 C 10.215 -12.431 -4.671 1.00 . A A . 4 DTR CH2 1 1
1 41 1 1 4 DTR CZ2 C 8.824 -12.573 -4.741 1.00 . A A . 4 DTR CZ2 1 1
1 42 1 1 4 DTR CZ3 C 10.764 -11.215 -4.282 1.00 . A A . 4 DTR CZ3 1 1
1 43 1 1 4 DTR H H 5.576 -6.505 -2.542 1.00 . A A . 4 DTR H 1 1
1 44 1 1 4 DTR HA H 6.750 -7.302 -5.104 1.00 . A A . 4 DTR HA 1 1
1 45 1 1 4 DTR HB2 H 7.412 -7.783 -2.250 1.00 . A A . 4 DTR HB2 1 1
1 46 1 1 4 DTR HB3 H 8.763 -7.580 -3.349 1.00 . A A . 4 DTR HB3 1 1
1 47 1 1 4 DTR HD1 H 5.426 -9.570 -3.872 1.00 . A A . 4 DTR HD1 1 1
1 48 1 1 4 DTR HE1 H 5.943 -12.044 -4.631 1.00 . A A . 4 DTR HE1 1 1
1 49 1 1 4 DTR HE3 H 10.487 -9.141 -3.642 1.00 . A A . 4 DTR HE3 1 1
1 50 1 1 4 DTR HH2 H 10.864 -13.270 -4.919 1.00 . A A . 4 DTR HH2 1 1
1 51 1 1 4 DTR HZ2 H 8.356 -13.510 -5.041 1.00 . A A . 4 DTR HZ2 1 1
1 52 1 1 4 DTR HZ3 H 11.851 -11.141 -4.238 1.00 . A A . 4 DTR HZ3 1 1
1 53 1 1 4 DTR N N 5.578 -6.656 -3.530 1.00 . A A . 4 DTR N 1 1
1 54 1 1 4 DTR NE1 N 6.685 -11.285 -4.381 1.00 . A A . 4 DTR NE1 1 1
1 55 1 1 4 DTR O O 8.795 -5.374 -4.260 1.00 . A A . 4 DTR O 1 1
1 56 1 1 5 ASP C C 6.559 -2.179 -3.457 1.00 . A A . 5 ASP C 1 1
1 57 1 1 5 ASP CA C 7.230 -3.096 -4.475 1.00 . A A . 5 ASP CA 1 1
1 58 1 1 5 ASP CB C 6.983 -2.574 -5.891 1.00 . A A . 5 ASP CB 1 1
1 59 1 1 5 ASP CG C 7.857 -1.383 -6.230 1.00 . A A . 5 ASP CG 1 1
1 60 1 1 5 ASP H H 5.772 -4.624 -4.330 1.00 . A A . 5 ASP H 1 1
1 61 1 1 5 ASP HA H 8.293 -3.106 -4.286 1.00 . A A . 5 ASP HA 1 1
1 62 1 1 5 ASP HB2 H 7.191 -3.362 -6.600 1.00 . A A . 5 ASP HB2 1 1
1 63 1 1 5 ASP HB3 H 5.948 -2.277 -5.982 1.00 . A A . 5 ASP HB3 1 1
1 64 1 1 5 ASP N N 6.739 -4.463 -4.346 1.00 . A A . 5 ASP N 1 1
1 65 1 1 5 ASP O O 5.635 -1.430 -3.774 1.00 . A A . 5 ASP O 1 1
1 66 1 1 5 ASP OD1 O 8.198 -0.616 -5.306 1.00 . A A . 5 ASP OD1 1 1
1 67 1 1 5 ASP OD2 O 8.199 -1.216 -7.420 1.00 . A A . 5 ASP OD2 1 1
1 68 1 1 6 PRO C C 6.831 0.057 -1.275 1.00 . A A . 6 PRO C 1 1
1 69 1 1 6 PRO CA C 6.493 -1.421 -1.113 1.00 . A A . 6 PRO CA 1 1
1 70 1 1 6 PRO CB C 7.177 -1.993 0.131 1.00 . A A . 6 PRO CB 1 1
1 71 1 1 6 PRO CD C 8.133 -3.109 -1.754 1.00 . A A . 6 PRO CD 1 1
1 72 1 1 6 PRO CG C 8.442 -2.596 -0.375 1.00 . A A . 6 PRO CG 1 1
1 73 1 1 6 PRO HA H 5.423 -1.537 -1.023 1.00 . A A . 6 PRO HA 1 1
1 74 1 1 6 PRO HB2 H 7.372 -1.197 0.836 1.00 . A A . 6 PRO HB2 1 1
1 75 1 1 6 PRO HB3 H 6.540 -2.736 0.587 1.00 . A A . 6 PRO HB3 1 1
1 76 1 1 6 PRO HD2 H 8.994 -3.005 -2.397 1.00 . A A . 6 PRO HD2 1 1
1 77 1 1 6 PRO HD3 H 7.814 -4.140 -1.711 1.00 . A A . 6 PRO HD3 1 1
1 78 1 1 6 PRO HG2 H 9.215 -1.845 -0.419 1.00 . A A . 6 PRO HG2 1 1
1 79 1 1 6 PRO HG3 H 8.743 -3.410 0.268 1.00 . A A . 6 PRO HG3 1 1
1 80 1 1 6 PRO N N 7.033 -2.239 -2.204 1.00 . A A . 6 PRO N 1 1
1 81 1 1 6 PRO O O 6.327 0.903 -0.537 1.00 . A A . 6 PRO O 1 1
1 82 1 1 7 TRP C C 7.526 2.231 -3.830 1.00 . A A . 7 TRP C 1 1
1 83 1 1 7 TRP CA C 8.092 1.738 -2.503 1.00 . A A . 7 TRP CA 1 1
1 84 1 1 7 TRP CB C 9.617 1.849 -2.511 1.00 . A A . 7 TRP CB 1 1
1 85 1 1 7 TRP CD1 C 11.134 1.160 -0.564 1.00 . A A . 7 TRP CD1 1 1
1 86 1 1 7 TRP CD2 C 9.918 3.000 -0.177 1.00 . A A . 7 TRP CD2 1 1
1 87 1 1 7 TRP CE2 C 10.703 2.732 0.962 1.00 . A A . 7 TRP CE2 1 1
1 88 1 1 7 TRP CE3 C 9.073 4.113 -0.165 1.00 . A A . 7 TRP CE3 1 1
1 89 1 1 7 TRP CG C 10.210 1.983 -1.141 1.00 . A A . 7 TRP CG 1 1
1 90 1 1 7 TRP CH2 C 9.826 4.617 2.083 1.00 . A A . 7 TRP CH2 1 1
1 91 1 1 7 TRP CZ2 C 10.663 3.535 2.099 1.00 . A A . 7 TRP CZ2 1 1
1 92 1 1 7 TRP CZ3 C 9.035 4.909 0.964 1.00 . A A . 7 TRP CZ3 1 1
1 93 1 1 7 TRP H H 8.055 -0.359 -2.800 1.00 . A A . 7 TRP H 1 1
1 94 1 1 7 TRP HA H 7.699 2.352 -1.706 1.00 . A A . 7 TRP HA 1 1
1 95 1 1 7 TRP HB2 H 10.034 0.966 -2.970 1.00 . A A . 7 TRP HB2 1 1
1 96 1 1 7 TRP HB3 H 9.904 2.718 -3.086 1.00 . A A . 7 TRP HB3 1 1
1 97 1 1 7 TRP HD1 H 11.557 0.290 -1.043 1.00 . A A . 7 TRP HD1 1 1
1 98 1 1 7 TRP HE1 H 12.071 1.182 1.316 1.00 . A A . 7 TRP HE1 1 1
1 99 1 1 7 TRP HE3 H 8.455 4.354 -1.018 1.00 . A A . 7 TRP HE3 1 1
1 100 1 1 7 TRP HH2 H 9.764 5.266 2.943 1.00 . A A . 7 TRP HH2 1 1
1 101 1 1 7 TRP HZ2 H 11.268 3.324 2.969 1.00 . A A . 7 TRP HZ2 1 1
1 102 1 1 7 TRP HZ3 H 8.387 5.773 0.991 1.00 . A A . 7 TRP HZ3 1 1
1 103 1 1 7 TRP N N 7.687 0.360 -2.244 1.00 . A A . 7 TRP N 1 1
1 104 1 1 7 TRP NE1 N 11.435 1.604 0.701 1.00 . A A . 7 TRP NE1 1 1
1 105 1 1 7 TRP O O 7.969 3.248 -4.365 1.00 . A A . 7 TRP O 1 1
1 106 1 1 8 CYS C C 5.189 3.205 -5.503 1.00 . A A . 8 CYS C 1 1
1 107 1 1 8 CYS CA C 5.918 1.870 -5.621 1.00 . A A . 8 CYS CA 1 1
1 108 1 1 8 CYS CB C 4.941 0.780 -6.063 1.00 . A A . 8 CYS CB 1 1
1 109 1 1 8 CYS H H 6.234 0.706 -3.882 1.00 . A A . 8 CYS H 1 1
1 110 1 1 8 CYS HA H 6.697 1.965 -6.363 1.00 . A A . 8 CYS HA 1 1
1 111 1 1 8 CYS HB2 H 4.653 0.959 -7.089 1.00 . A A . 8 CYS HB2 1 1
1 112 1 1 8 CYS HB3 H 5.430 -0.181 -5.994 1.00 . A A . 8 CYS HB3 1 1
1 113 1 1 8 CYS N N 6.545 1.506 -4.356 1.00 . A A . 8 CYS N 1 1
1 114 1 1 8 CYS O O 4.865 3.651 -4.402 1.00 . A A . 8 CYS O 1 1
1 115 1 1 8 CYS SG S 3.417 0.699 -5.067 1.00 . A A . 8 CYS SG 1 1
2 116 1 1 1 GLY C C 1.609 -1.238 -2.127 1.00 . A A . 1 GLY C 1 1
2 117 1 1 1 GLY CA C 1.989 -0.199 -1.090 1.00 . A A . 1 GLY CA 1 1
2 118 1 1 1 GLY H1 H 1.291 0.373 0.825 1.00 . A A . 1 GLY H1 1 1
2 119 1 1 1 GLY HA2 H 1.881 0.784 -1.524 1.00 . A A . 1 GLY HA2 1 1
2 120 1 1 1 GLY HA3 H 3.023 -0.347 -0.812 1.00 . A A . 1 GLY HA3 1 1
2 121 1 1 1 GLY N N 1.167 -0.278 0.103 1.00 . A A . 1 GLY N 1 1
2 122 1 1 1 GLY O O 0.442 -1.613 -2.241 1.00 . A A . 1 GLY O 1 1
2 123 1 1 2 CYS C C 3.030 -4.026 -3.560 1.00 . A A . 2 CYS C 1 1
2 124 1 1 2 CYS CA C 2.359 -2.703 -3.919 1.00 . A A . 2 CYS CA 1 1
2 125 1 1 2 CYS CB C 2.880 -2.205 -5.269 1.00 . A A . 2 CYS CB 1 1
2 126 1 1 2 CYS H H 3.506 -1.366 -2.747 1.00 . A A . 2 CYS H 1 1
2 127 1 1 2 CYS HA H 1.294 -2.862 -3.991 1.00 . A A . 2 CYS HA 1 1
2 128 1 1 2 CYS HB2 H 3.959 -2.261 -5.272 1.00 . A A . 2 CYS HB2 1 1
2 129 1 1 2 CYS HB3 H 2.490 -2.837 -6.053 1.00 . A A . 2 CYS HB3 1 1
2 130 1 1 2 CYS N N 2.596 -1.703 -2.885 1.00 . A A . 2 CYS N 1 1
2 131 1 1 2 CYS O O 4.006 -4.073 -2.812 1.00 . A A . 2 CYS O 1 1
2 132 1 1 2 CYS SG S 2.414 -0.487 -5.657 1.00 . A A . 2 CYS SG 1 1
2 133 1 1 3 PRO C C 4.384 -6.689 -4.515 1.00 . A A . 3 PRO C 1 1
2 134 1 1 3 PRO CA C 3.025 -6.472 -3.858 1.00 . A A . 3 PRO CA 1 1
2 135 1 1 3 PRO CB C 1.974 -7.390 -4.488 1.00 . A A . 3 PRO CB 1 1
2 136 1 1 3 PRO CD C 1.330 -5.147 -5.007 1.00 . A A . 3 PRO CD 1 1
2 137 1 1 3 PRO CG C 1.320 -6.555 -5.535 1.00 . A A . 3 PRO CG 1 1
2 138 1 1 3 PRO HA H 3.100 -6.680 -2.801 1.00 . A A . 3 PRO HA 1 1
2 139 1 1 3 PRO HB2 H 2.459 -8.255 -4.918 1.00 . A A . 3 PRO HB2 1 1
2 140 1 1 3 PRO HB3 H 1.267 -7.704 -3.735 1.00 . A A . 3 PRO HB3 1 1
2 141 1 1 3 PRO HD2 H 1.456 -4.442 -5.815 1.00 . A A . 3 PRO HD2 1 1
2 142 1 1 3 PRO HD3 H 0.419 -4.942 -4.463 1.00 . A A . 3 PRO HD3 1 1
2 143 1 1 3 PRO HG2 H 1.881 -6.614 -6.455 1.00 . A A . 3 PRO HG2 1 1
2 144 1 1 3 PRO HG3 H 0.306 -6.890 -5.690 1.00 . A A . 3 PRO HG3 1 1
2 145 1 1 3 PRO N N 2.494 -5.128 -4.106 1.00 . A A . 3 PRO N 1 1
2 146 1 1 3 PRO O O 4.454 -6.772 -5.740 1.00 . A A . 3 PRO O 1 1
2 147 1 1 4 DTR C C 7.496 -5.638 -4.179 1.00 . A A . 4 DTR C 1 1
2 148 1 1 4 DTR CA C 6.765 -6.982 -4.210 1.00 . A A . 4 DTR CA 1 1
2 149 1 1 4 DTR CB C 7.491 -8.076 -3.424 1.00 . A A . 4 DTR CB 1 1
2 150 1 1 4 DTR CD1 C 6.410 -10.023 -4.728 1.00 . A A . 4 DTR CD1 1 1
2 151 1 1 4 DTR CD2 C 8.507 -10.424 -4.137 1.00 . A A . 4 DTR CD2 1 1
2 152 1 1 4 DTR CE2 C 8.051 -11.533 -4.820 1.00 . A A . 4 DTR CE2 1 1
2 153 1 1 4 DTR CE3 C 9.815 -10.365 -3.625 1.00 . A A . 4 DTR CE3 1 1
2 154 1 1 4 DTR CG C 7.438 -9.455 -4.084 1.00 . A A . 4 DTR CG 1 1
2 155 1 1 4 DTR CH2 C 10.146 -12.631 -4.552 1.00 . A A . 4 DTR CH2 1 1
2 156 1 1 4 DTR CZ2 C 8.839 -12.667 -5.054 1.00 . A A . 4 DTR CZ2 1 1
2 157 1 1 4 DTR CZ3 C 10.589 -11.506 -3.866 1.00 . A A . 4 DTR CZ3 1 1
2 158 1 1 4 DTR H H 5.357 -6.707 -2.701 1.00 . A A . 4 DTR H 1 1
2 159 1 1 4 DTR HA H 6.678 -7.335 -5.238 1.00 . A A . 4 DTR HA 1 1
2 160 1 1 4 DTR HB2 H 7.054 -8.144 -2.428 1.00 . A A . 4 DTR HB2 1 1
2 161 1 1 4 DTR HB3 H 8.534 -7.785 -3.296 1.00 . A A . 4 DTR HB3 1 1
2 162 1 1 4 DTR HD1 H 5.438 -9.550 -4.869 1.00 . A A . 4 DTR HD1 1 1
2 163 1 1 4 DTR HE1 H 6.081 -11.954 -5.746 1.00 . A A . 4 DTR HE1 1 1
2 164 1 1 4 DTR HE3 H 10.198 -9.501 -3.082 1.00 . A A . 4 DTR HE3 1 1
2 165 1 1 4 DTR HH2 H 10.812 -13.481 -4.699 1.00 . A A . 4 DTR HH2 1 1
2 166 1 1 4 DTR HZ2 H 8.456 -13.531 -5.596 1.00 . A A . 4 DTR HZ2 1 1
2 167 1 1 4 DTR HZ3 H 11.612 -11.513 -3.490 1.00 . A A . 4 DTR HZ3 1 1
2 168 1 1 4 DTR N N 5.422 -6.775 -3.696 1.00 . A A . 4 DTR N 1 1
2 169 1 1 4 DTR NE1 N 6.735 -11.282 -5.191 1.00 . A A . 4 DTR NE1 1 1
2 170 1 1 4 DTR O O 8.722 -5.564 -4.099 1.00 . A A . 4 DTR O 1 1
2 171 1 1 5 ASP C C 6.544 -2.362 -3.177 1.00 . A A . 5 ASP C 1 1
2 172 1 1 5 ASP CA C 7.253 -3.217 -4.223 1.00 . A A . 5 ASP CA 1 1
2 173 1 1 5 ASP CB C 7.121 -2.570 -5.603 1.00 . A A . 5 ASP CB 1 1
2 174 1 1 5 ASP CG C 8.031 -3.210 -6.632 1.00 . A A . 5 ASP CG 1 1
2 175 1 1 5 ASP H H 5.738 -4.694 -4.306 1.00 . A A . 5 ASP H 1 1
2 176 1 1 5 ASP HA H 8.299 -3.284 -3.966 1.00 . A A . 5 ASP HA 1 1
2 177 1 1 5 ASP HB2 H 6.100 -2.668 -5.942 1.00 . A A . 5 ASP HB2 1 1
2 178 1 1 5 ASP HB3 H 7.372 -1.523 -5.527 1.00 . A A . 5 ASP HB3 1 1
2 179 1 1 5 ASP N N 6.709 -4.570 -4.243 1.00 . A A . 5 ASP N 1 1
2 180 1 1 5 ASP O O 5.670 -1.554 -3.489 1.00 . A A . 5 ASP O 1 1
2 181 1 1 5 ASP OD1 O 9.249 -3.303 -6.371 1.00 . A A . 5 ASP OD1 1 1
2 182 1 1 5 ASP OD2 O 7.526 -3.620 -7.697 1.00 . A A . 5 ASP OD2 1 1
2 183 1 1 6 PRO C C 6.740 -0.327 -0.799 1.00 . A A . 6 PRO C 1 1
2 184 1 1 6 PRO CA C 6.342 -1.799 -0.786 1.00 . A A . 6 PRO CA 1 1
2 185 1 1 6 PRO CB C 6.919 -2.499 0.447 1.00 . A A . 6 PRO CB 1 1
2 186 1 1 6 PRO CD C 7.965 -3.491 -1.460 1.00 . A A . 6 PRO CD 1 1
2 187 1 1 6 PRO CG C 8.195 -3.107 -0.024 1.00 . A A . 6 PRO CG 1 1
2 188 1 1 6 PRO HA H 5.265 -1.880 -0.777 1.00 . A A . 6 PRO HA 1 1
2 189 1 1 6 PRO HB2 H 7.092 -1.772 1.228 1.00 . A A . 6 PRO HB2 1 1
2 190 1 1 6 PRO HB3 H 6.228 -3.251 0.795 1.00 . A A . 6 PRO HB3 1 1
2 191 1 1 6 PRO HD2 H 8.872 -3.368 -2.033 1.00 . A A . 6 PRO HD2 1 1
2 192 1 1 6 PRO HD3 H 7.610 -4.509 -1.526 1.00 . A A . 6 PRO HD3 1 1
2 193 1 1 6 PRO HG2 H 8.994 -2.385 0.047 1.00 . A A . 6 PRO HG2 1 1
2 194 1 1 6 PRO HG3 H 8.424 -3.982 0.565 1.00 . A A . 6 PRO HG3 1 1
2 195 1 1 6 PRO N N 6.929 -2.544 -1.905 1.00 . A A . 6 PRO N 1 1
2 196 1 1 6 PRO O O 6.215 0.474 -0.026 1.00 . A A . 6 PRO O 1 1
2 197 1 1 7 TRP C C 7.682 2.023 -3.107 1.00 . A A . 7 TRP C 1 1
2 198 1 1 7 TRP CA C 8.138 1.399 -1.793 1.00 . A A . 7 TRP CA 1 1
2 199 1 1 7 TRP CB C 9.663 1.451 -1.691 1.00 . A A . 7 TRP CB 1 1
2 200 1 1 7 TRP CD1 C 10.887 3.632 -2.251 1.00 . A A . 7 TRP CD1 1 1
2 201 1 1 7 TRP CD2 C 10.070 3.544 -0.168 1.00 . A A . 7 TRP CD2 1 1
2 202 1 1 7 TRP CE2 C 10.714 4.784 -0.346 1.00 . A A . 7 TRP CE2 1 1
2 203 1 1 7 TRP CE3 C 9.477 3.264 1.066 1.00 . A A . 7 TRP CE3 1 1
2 204 1 1 7 TRP CG C 10.192 2.823 -1.399 1.00 . A A . 7 TRP CG 1 1
2 205 1 1 7 TRP CH2 C 10.193 5.439 1.863 1.00 . A A . 7 TRP CH2 1 1
2 206 1 1 7 TRP CZ2 C 10.781 5.739 0.665 1.00 . A A . 7 TRP CZ2 1 1
2 207 1 1 7 TRP CZ3 C 9.546 4.213 2.069 1.00 . A A . 7 TRP CZ3 1 1
2 208 1 1 7 TRP H H 8.052 -0.662 -2.270 1.00 . A A . 7 TRP H 1 1
2 209 1 1 7 TRP HA H 7.712 1.961 -0.975 1.00 . A A . 7 TRP HA 1 1
2 210 1 1 7 TRP HB2 H 9.987 0.793 -0.899 1.00 . A A . 7 TRP HB2 1 1
2 211 1 1 7 TRP HB3 H 10.090 1.121 -2.627 1.00 . A A . 7 TRP HB3 1 1
2 212 1 1 7 TRP HD1 H 11.144 3.368 -3.265 1.00 . A A . 7 TRP HD1 1 1
2 213 1 1 7 TRP HE1 H 11.701 5.556 -2.028 1.00 . A A . 7 TRP HE1 1 1
2 214 1 1 7 TRP HE3 H 8.973 2.325 1.244 1.00 . A A . 7 TRP HE3 1 1
2 215 1 1 7 TRP HH2 H 10.222 6.150 2.674 1.00 . A A . 7 TRP HH2 1 1
2 216 1 1 7 TRP HZ2 H 11.276 6.689 0.522 1.00 . A A . 7 TRP HZ2 1 1
2 217 1 1 7 TRP HZ3 H 9.094 4.014 3.030 1.00 . A A . 7 TRP HZ3 1 1
2 218 1 1 7 TRP N N 7.670 0.022 -1.680 1.00 . A A . 7 TRP N 1 1
2 219 1 1 7 TRP NE1 N 11.205 4.813 -1.624 1.00 . A A . 7 TRP NE1 1 1
2 220 1 1 7 TRP O O 8.195 3.062 -3.524 1.00 . A A . 7 TRP O 1 1
2 221 1 1 8 CYS C C 5.498 3.223 -4.841 1.00 . A A . 8 CYS C 1 1
2 222 1 1 8 CYS CA C 6.190 1.875 -5.025 1.00 . A A . 8 CYS CA 1 1
2 223 1 1 8 CYS CB C 5.209 0.864 -5.622 1.00 . A A . 8 CYS CB 1 1
2 224 1 1 8 CYS H H 6.345 0.560 -3.374 1.00 . A A . 8 CYS H 1 1
2 225 1 1 8 CYS HA H 7.021 2.001 -5.702 1.00 . A A . 8 CYS HA 1 1
2 226 1 1 8 CYS HB2 H 4.999 1.139 -6.645 1.00 . A A . 8 CYS HB2 1 1
2 227 1 1 8 CYS HB3 H 5.660 -0.117 -5.603 1.00 . A A . 8 CYS HB3 1 1
2 228 1 1 8 CYS N N 6.715 1.384 -3.757 1.00 . A A . 8 CYS N 1 1
2 229 1 1 8 CYS O O 6.015 4.259 -5.260 1.00 . A A . 8 CYS O 1 1
2 230 1 1 8 CYS SG S 3.619 0.761 -4.739 1.00 . A A . 8 CYS SG 1 1
3 231 1 1 1 GLY C C 1.784 -1.436 -2.314 1.00 . A A . 1 GLY C 1 1
3 232 1 1 1 GLY CA C 2.086 -0.287 -1.372 1.00 . A A . 1 GLY CA 1 1
3 233 1 1 1 GLY H1 H 2.333 -1.663 0.218 1.00 . A A . 1 GLY H1 1 1
3 234 1 1 1 GLY HA2 H 1.298 0.447 -1.452 1.00 . A A . 1 GLY HA2 1 1
3 235 1 1 1 GLY HA3 H 3.019 0.169 -1.667 1.00 . A A . 1 GLY HA3 1 1
3 236 1 1 1 GLY N N 2.191 -0.716 0.010 1.00 . A A . 1 GLY N 1 1
3 237 1 1 1 GLY O O 0.649 -1.908 -2.386 1.00 . A A . 1 GLY O 1 1
3 238 1 1 2 CYS C C 3.417 -4.216 -3.523 1.00 . A A . 2 CYS C 1 1
3 239 1 1 2 CYS CA C 2.641 -2.985 -3.984 1.00 . A A . 2 CYS CA 1 1
3 240 1 1 2 CYS CB C 3.114 -2.563 -5.376 1.00 . A A . 2 CYS CB 1 1
3 241 1 1 2 CYS H H 3.684 -1.469 -2.938 1.00 . A A . 2 CYS H 1 1
3 242 1 1 2 CYS HA H 1.592 -3.233 -4.030 1.00 . A A . 2 CYS HA 1 1
3 243 1 1 2 CYS HB2 H 4.194 -2.534 -5.388 1.00 . A A . 2 CYS HB2 1 1
3 244 1 1 2 CYS HB3 H 2.771 -3.287 -6.100 1.00 . A A . 2 CYS HB3 1 1
3 245 1 1 2 CYS N N 2.802 -1.886 -3.040 1.00 . A A . 2 CYS N 1 1
3 246 1 1 2 CYS O O 4.397 -4.123 -2.785 1.00 . A A . 2 CYS O 1 1
3 247 1 1 2 CYS SG S 2.512 -0.925 -5.901 1.00 . A A . 2 CYS SG 1 1
3 248 1 1 3 PRO C C 4.974 -6.835 -4.268 1.00 . A A . 3 PRO C 1 1
3 249 1 1 3 PRO CA C 3.605 -6.671 -3.616 1.00 . A A . 3 PRO CA 1 1
3 250 1 1 3 PRO CB C 2.628 -7.719 -4.155 1.00 . A A . 3 PRO CB 1 1
3 251 1 1 3 PRO CD C 1.804 -5.586 -4.852 1.00 . A A . 3 PRO CD 1 1
3 252 1 1 3 PRO CG C 1.905 -7.029 -5.261 1.00 . A A . 3 PRO CG 1 1
3 253 1 1 3 PRO HA H 3.701 -6.784 -2.546 1.00 . A A . 3 PRO HA 1 1
3 254 1 1 3 PRO HB2 H 3.178 -8.576 -4.517 1.00 . A A . 3 PRO HB2 1 1
3 255 1 1 3 PRO HB3 H 1.951 -8.023 -3.371 1.00 . A A . 3 PRO HB3 1 1
3 256 1 1 3 PRO HD2 H 1.870 -4.943 -5.717 1.00 . A A . 3 PRO HD2 1 1
3 257 1 1 3 PRO HD3 H 0.883 -5.408 -4.317 1.00 . A A . 3 PRO HD3 1 1
3 258 1 1 3 PRO HG2 H 2.464 -7.121 -6.179 1.00 . A A . 3 PRO HG2 1 1
3 259 1 1 3 PRO HG3 H 0.919 -7.455 -5.376 1.00 . A A . 3 PRO HG3 1 1
3 260 1 1 3 PRO N N 2.968 -5.399 -3.969 1.00 . A A . 3 PRO N 1 1
3 261 1 1 3 PRO O O 5.044 -7.015 -5.483 1.00 . A A . 3 PRO O 1 1
3 262 1 1 4 DTR C C 7.994 -5.516 -4.057 1.00 . A A . 4 DTR C 1 1
3 263 1 1 4 DTR CA C 7.373 -6.911 -3.968 1.00 . A A . 4 DTR CA 1 1
3 264 1 1 4 DTR CB C 8.187 -7.874 -3.101 1.00 . A A . 4 DTR CB 1 1
3 265 1 1 4 DTR CD1 C 7.257 -10.118 -2.230 1.00 . A A . 4 DTR CD1 1 1
3 266 1 1 4 DTR CD2 C 7.754 -10.156 -4.389 1.00 . A A . 4 DTR CD2 1 1
3 267 1 1 4 DTR CE2 C 7.272 -11.405 -4.054 1.00 . A A . 4 DTR CE2 1 1
3 268 1 1 4 DTR CE3 C 8.161 -9.855 -5.701 1.00 . A A . 4 DTR CE3 1 1
3 269 1 1 4 DTR CG C 7.740 -9.333 -3.203 1.00 . A A . 4 DTR CG 1 1
3 270 1 1 4 DTR CH2 C 7.551 -12.175 -6.289 1.00 . A A . 4 DTR CH2 1 1
3 271 1 1 4 DTR CZ2 C 7.152 -12.452 -4.976 1.00 . A A . 4 DTR CZ2 1 1
3 272 1 1 4 DTR CZ3 C 8.034 -10.912 -6.610 1.00 . A A . 4 DTR CZ3 1 1
3 273 1 1 4 DTR H H 5.954 -6.622 -2.470 1.00 . A A . 4 DTR H 1 1
3 274 1 1 4 DTR HA H 7.309 -7.355 -4.961 1.00 . A A . 4 DTR HA 1 1
3 275 1 1 4 DTR HB2 H 8.120 -7.555 -2.061 1.00 . A A . 4 DTR HB2 1 1
3 276 1 1 4 DTR HB3 H 9.237 -7.805 -3.388 1.00 . A A . 4 DTR HB3 1 1
3 277 1 1 4 DTR HD1 H 7.117 -9.799 -1.198 1.00 . A A . 4 DTR HD1 1 1
3 278 1 1 4 DTR HE1 H 6.556 -12.208 -2.116 1.00 . A A . 4 DTR HE1 1 1
3 279 1 1 4 DTR HE3 H 8.545 -8.876 -5.990 1.00 . A A . 4 DTR HE3 1 1
3 280 1 1 4 DTR HH2 H 7.483 -12.946 -7.056 1.00 . A A . 4 DTR HH2 1 1
3 281 1 1 4 DTR HZ2 H 6.768 -13.430 -4.687 1.00 . A A . 4 DTR HZ2 1 1
3 282 1 1 4 DTR HZ3 H 8.336 -10.732 -7.641 1.00 . A A . 4 DTR HZ3 1 1
3 283 1 1 4 DTR N N 6.020 -6.769 -3.457 1.00 . A A . 4 DTR N 1 1
3 284 1 1 4 DTR NE1 N 6.960 -11.381 -2.700 1.00 . A A . 4 DTR NE1 1 1
3 285 1 1 4 DTR O O 9.210 -5.338 -3.998 1.00 . A A . 4 DTR O 1 1
3 286 1 1 5 ASP C C 6.790 -2.253 -3.321 1.00 . A A . 5 ASP C 1 1
3 287 1 1 5 ASP CA C 7.558 -3.134 -4.301 1.00 . A A . 5 ASP CA 1 1
3 288 1 1 5 ASP CB C 7.367 -2.618 -5.728 1.00 . A A . 5 ASP CB 1 1
3 289 1 1 5 ASP CG C 8.094 -1.310 -5.973 1.00 . A A . 5 ASP CG 1 1
3 290 1 1 5 ASP H H 6.166 -4.728 -4.243 1.00 . A A . 5 ASP H 1 1
3 291 1 1 5 ASP HA H 8.608 -3.096 -4.053 1.00 . A A . 5 ASP HA 1 1
3 292 1 1 5 ASP HB2 H 7.743 -3.354 -6.424 1.00 . A A . 5 ASP HB2 1 1
3 293 1 1 5 ASP HB3 H 6.313 -2.463 -5.910 1.00 . A A . 5 ASP HB3 1 1
3 294 1 1 5 ASP N N 7.124 -4.522 -4.202 1.00 . A A . 5 ASP N 1 1
3 295 1 1 5 ASP O O 5.852 -1.545 -3.688 1.00 . A A . 5 ASP O 1 1
3 296 1 1 5 ASP OD1 O 8.707 -0.785 -5.021 1.00 . A A . 5 ASP OD1 1 1
3 297 1 1 5 ASP OD2 O 8.049 -0.812 -7.118 1.00 . A A . 5 ASP OD2 1 1
3 298 1 1 6 PRO C C 6.836 -0.016 -1.123 1.00 . A A . 6 PRO C 1 1
3 299 1 1 6 PRO CA C 6.557 -1.509 -0.984 1.00 . A A . 6 PRO CA 1 1
3 300 1 1 6 PRO CB C 7.195 -2.055 0.297 1.00 . A A . 6 PRO CB 1 1
3 301 1 1 6 PRO CD C 8.305 -3.118 -1.534 1.00 . A A . 6 PRO CD 1 1
3 302 1 1 6 PRO CG C 8.512 -2.598 -0.138 1.00 . A A . 6 PRO CG 1 1
3 303 1 1 6 PRO HA H 5.490 -1.673 -0.954 1.00 . A A . 6 PRO HA 1 1
3 304 1 1 6 PRO HB2 H 7.313 -1.253 1.012 1.00 . A A . 6 PRO HB2 1 1
3 305 1 1 6 PRO HB3 H 6.568 -2.828 0.714 1.00 . A A . 6 PRO HB3 1 1
3 306 1 1 6 PRO HD2 H 9.196 -2.972 -2.127 1.00 . A A . 6 PRO HD2 1 1
3 307 1 1 6 PRO HD3 H 8.032 -4.163 -1.510 1.00 . A A . 6 PRO HD3 1 1
3 308 1 1 6 PRO HG2 H 9.252 -1.812 -0.137 1.00 . A A . 6 PRO HG2 1 1
3 309 1 1 6 PRO HG3 H 8.813 -3.399 0.519 1.00 . A A . 6 PRO HG3 1 1
3 310 1 1 6 PRO N N 7.194 -2.296 -2.043 1.00 . A A . 6 PRO N 1 1
3 311 1 1 6 PRO O O 6.253 0.803 -0.413 1.00 . A A . 6 PRO O 1 1
3 312 1 1 7 TRP C C 7.575 2.198 -3.631 1.00 . A A . 7 TRP C 1 1
3 313 1 1 7 TRP CA C 8.086 1.725 -2.274 1.00 . A A . 7 TRP CA 1 1
3 314 1 1 7 TRP CB C 9.603 1.906 -2.195 1.00 . A A . 7 TRP CB 1 1
3 315 1 1 7 TRP CD1 C 11.018 1.721 -0.066 1.00 . A A . 7 TRP CD1 1 1
3 316 1 1 7 TRP CD2 C 9.639 3.486 -0.105 1.00 . A A . 7 TRP CD2 1 1
3 317 1 1 7 TRP CE2 C 10.354 3.500 1.109 1.00 . A A . 7 TRP CE2 1 1
3 318 1 1 7 TRP CE3 C 8.713 4.502 -0.354 1.00 . A A . 7 TRP CE3 1 1
3 319 1 1 7 TRP CG C 10.079 2.340 -0.842 1.00 . A A . 7 TRP CG 1 1
3 320 1 1 7 TRP CH2 C 9.255 5.473 1.800 1.00 . A A . 7 TRP CH2 1 1
3 321 1 1 7 TRP CZ2 C 10.168 4.491 2.070 1.00 . A A . 7 TRP CZ2 1 1
3 322 1 1 7 TRP CZ3 C 8.530 5.484 0.601 1.00 . A A . 7 TRP CZ3 1 1
3 323 1 1 7 TRP H H 8.162 -0.369 -2.577 1.00 . A A . 7 TRP H 1 1
3 324 1 1 7 TRP HA H 7.621 2.318 -1.501 1.00 . A A . 7 TRP HA 1 1
3 325 1 1 7 TRP HB2 H 10.084 0.970 -2.434 1.00 . A A . 7 TRP HB2 1 1
3 326 1 1 7 TRP HB3 H 9.906 2.655 -2.912 1.00 . A A . 7 TRP HB3 1 1
3 327 1 1 7 TRP HD1 H 11.540 0.819 -0.347 1.00 . A A . 7 TRP HD1 1 1
3 328 1 1 7 TRP HE1 H 11.806 2.169 1.829 1.00 . A A . 7 TRP HE1 1 1
3 329 1 1 7 TRP HE3 H 8.145 4.528 -1.272 1.00 . A A . 7 TRP HE3 1 1
3 330 1 1 7 TRP HH2 H 9.079 6.260 2.517 1.00 . A A . 7 TRP HH2 1 1
3 331 1 1 7 TRP HZ2 H 10.720 4.496 2.998 1.00 . A A . 7 TRP HZ2 1 1
3 332 1 1 7 TRP HZ3 H 7.818 6.278 0.427 1.00 . A A . 7 TRP HZ3 1 1
3 333 1 1 7 TRP N N 7.730 0.330 -2.042 1.00 . A A . 7 TRP N 1 1
3 334 1 1 7 TRP NE1 N 11.187 2.413 1.109 1.00 . A A . 7 TRP NE1 1 1
3 335 1 1 7 TRP O O 8.003 3.235 -4.139 1.00 . A A . 7 TRP O 1 1
3 336 1 1 8 CYS C C 5.293 3.073 -5.432 1.00 . A A . 8 CYS C 1 1
3 337 1 1 8 CYS CA C 6.089 1.773 -5.511 1.00 . A A . 8 CYS CA 1 1
3 338 1 1 8 CYS CB C 5.190 0.641 -6.010 1.00 . A A . 8 CYS CB 1 1
3 339 1 1 8 CYS H H 6.357 0.617 -3.758 1.00 . A A . 8 CYS H 1 1
3 340 1 1 8 CYS HA H 6.904 1.907 -6.206 1.00 . A A . 8 CYS HA 1 1
3 341 1 1 8 CYS HB2 H 4.954 0.811 -7.051 1.00 . A A . 8 CYS HB2 1 1
3 342 1 1 8 CYS HB3 H 5.718 -0.296 -5.915 1.00 . A A . 8 CYS HB3 1 1
3 343 1 1 8 CYS N N 6.659 1.433 -4.213 1.00 . A A . 8 CYS N 1 1
3 344 1 1 8 CYS O O 5.823 4.154 -5.689 1.00 . A A . 8 CYS O 1 1
3 345 1 1 8 CYS SG S 3.617 0.486 -5.104 1.00 . A A . 8 CYS SG 1 1
4 346 1 1 1 GLY C C 1.710 -1.005 -2.324 1.00 . A A . 1 GLY C 1 1
4 347 1 1 1 GLY CA C 2.102 0.119 -1.386 1.00 . A A . 1 GLY CA 1 1
4 348 1 1 1 GLY H1 H 0.481 -0.397 -0.127 1.00 . A A . 1 GLY H1 1 1
4 349 1 1 1 GLY HA2 H 1.984 1.061 -1.901 1.00 . A A . 1 GLY HA2 1 1
4 350 1 1 1 GLY HA3 H 3.140 -0.002 -1.112 1.00 . A A . 1 GLY HA3 1 1
4 351 1 1 1 GLY N N 1.299 0.141 -0.178 1.00 . A A . 1 GLY N 1 1
4 352 1 1 1 GLY O O 0.539 -1.381 -2.399 1.00 . A A . 1 GLY O 1 1
4 353 1 1 2 CYS C C 3.108 -3.920 -3.510 1.00 . A A . 2 CYS C 1 1
4 354 1 1 2 CYS CA C 2.441 -2.631 -3.982 1.00 . A A . 2 CYS CA 1 1
4 355 1 1 2 CYS CB C 2.954 -2.257 -5.374 1.00 . A A . 2 CYS CB 1 1
4 356 1 1 2 CYS H H 3.603 -1.202 -2.938 1.00 . A A . 2 CYS H 1 1
4 357 1 1 2 CYS HA H 1.374 -2.789 -4.031 1.00 . A A . 2 CYS HA 1 1
4 358 1 1 2 CYS HB2 H 4.033 -2.319 -5.379 1.00 . A A . 2 CYS HB2 1 1
4 359 1 1 2 CYS HB3 H 2.555 -2.955 -6.095 1.00 . A A . 2 CYS HB3 1 1
4 360 1 1 2 CYS N N 2.689 -1.544 -3.042 1.00 . A A . 2 CYS N 1 1
4 361 1 1 2 CYS O O 4.090 -3.905 -2.768 1.00 . A A . 2 CYS O 1 1
4 362 1 1 2 CYS SG S 2.494 -0.578 -5.910 1.00 . A A . 2 CYS SG 1 1
4 363 1 1 3 PRO C C 4.443 -6.664 -4.233 1.00 . A A . 3 PRO C 1 1
4 364 1 1 3 PRO CA C 3.089 -6.383 -3.589 1.00 . A A . 3 PRO CA 1 1
4 365 1 1 3 PRO CB C 2.030 -7.348 -4.128 1.00 . A A . 3 PRO CB 1 1
4 366 1 1 3 PRO CD C 1.392 -5.156 -4.840 1.00 . A A . 3 PRO CD 1 1
4 367 1 1 3 PRO CG C 1.373 -6.606 -5.240 1.00 . A A . 3 PRO CG 1 1
4 368 1 1 3 PRO HA H 3.171 -6.497 -2.518 1.00 . A A . 3 PRO HA 1 1
4 369 1 1 3 PRO HB2 H 2.508 -8.250 -4.482 1.00 . A A . 3 PRO HB2 1 1
4 370 1 1 3 PRO HB3 H 1.327 -7.589 -3.345 1.00 . A A . 3 PRO HB3 1 1
4 371 1 1 3 PRO HD2 H 1.516 -4.527 -5.709 1.00 . A A . 3 PRO HD2 1 1
4 372 1 1 3 PRO HD3 H 0.487 -4.899 -4.311 1.00 . A A . 3 PRO HD3 1 1
4 373 1 1 3 PRO HG2 H 1.927 -6.750 -6.155 1.00 . A A . 3 PRO HG2 1 1
4 374 1 1 3 PRO HG3 H 0.355 -6.948 -5.358 1.00 . A A . 3 PRO HG3 1 1
4 375 1 1 3 PRO N N 2.563 -5.064 -3.952 1.00 . A A . 3 PRO N 1 1
4 376 1 1 3 PRO O O 4.503 -6.856 -5.447 1.00 . A A . 3 PRO O 1 1
4 377 1 1 4 DTR C C 7.562 -5.605 -4.013 1.00 . A A . 4 DTR C 1 1
4 378 1 1 4 DTR CA C 6.825 -6.942 -3.920 1.00 . A A . 4 DTR CA 1 1
4 379 1 1 4 DTR CB C 7.551 -7.966 -3.045 1.00 . A A . 4 DTR CB 1 1
4 380 1 1 4 DTR CD1 C 6.341 -10.208 -3.454 1.00 . A A . 4 DTR CD1 1 1
4 381 1 1 4 DTR CD2 C 8.435 -10.200 -4.178 1.00 . A A . 4 DTR CD2 1 1
4 382 1 1 4 DTR CE2 C 7.907 -11.444 -4.455 1.00 . A A . 4 DTR CE2 1 1
4 383 1 1 4 DTR CE3 C 9.759 -9.873 -4.517 1.00 . A A . 4 DTR CE3 1 1
4 384 1 1 4 DTR CG C 7.414 -9.410 -3.532 1.00 . A A . 4 DTR CG 1 1
4 385 1 1 4 DTR CH2 C 9.956 -12.160 -5.431 1.00 . A A . 4 DTR CH2 1 1
4 386 1 1 4 DTR CZ2 C 8.634 -12.462 -5.084 1.00 . A A . 4 DTR CZ2 1 1
4 387 1 1 4 DTR CZ3 C 10.473 -10.901 -5.145 1.00 . A A . 4 DTR CZ3 1 1
4 388 1 1 4 DTR H H 5.428 -6.527 -2.431 1.00 . A A . 4 DTR H 1 1
4 389 1 1 4 DTR HA H 6.728 -7.384 -4.912 1.00 . A A . 4 DTR HA 1 1
4 390 1 1 4 DTR HB2 H 7.165 -7.898 -2.028 1.00 . A A . 4 DTR HB2 1 1
4 391 1 1 4 DTR HB3 H 8.609 -7.706 -3.002 1.00 . A A . 4 DTR HB3 1 1
4 392 1 1 4 DTR HD1 H 5.388 -9.914 -3.015 1.00 . A A . 4 DTR HD1 1 1
4 393 1 1 4 DTR HE1 H 5.892 -12.281 -4.065 1.00 . A A . 4 DTR HE1 1 1
4 394 1 1 4 DTR HE3 H 10.199 -8.898 -4.309 1.00 . A A . 4 DTR HE3 1 1
4 395 1 1 4 DTR HH2 H 10.578 -12.908 -5.923 1.00 . A A . 4 DTR HH2 1 1
4 396 1 1 4 DTR HZ2 H 8.194 -13.438 -5.292 1.00 . A A . 4 DTR HZ2 1 1
4 397 1 1 4 DTR HZ3 H 11.506 -10.701 -5.429 1.00 . A A . 4 DTR HZ3 1 1
4 398 1 1 4 DTR N N 5.486 -6.684 -3.417 1.00 . A A . 4 DTR N 1 1
4 399 1 1 4 DTR NE1 N 6.593 -11.450 -4.001 1.00 . A A . 4 DTR NE1 1 1
4 400 1 1 4 DTR O O 8.789 -5.530 -3.949 1.00 . A A . 4 DTR O 1 1
4 401 1 1 5 ASP C C 6.634 -2.248 -3.299 1.00 . A A . 5 ASP C 1 1
4 402 1 1 5 ASP CA C 7.330 -3.196 -4.270 1.00 . A A . 5 ASP CA 1 1
4 403 1 1 5 ASP CB C 7.190 -2.673 -5.701 1.00 . A A . 5 ASP CB 1 1
4 404 1 1 5 ASP CG C 7.754 -3.636 -6.727 1.00 . A A . 5 ASP CG 1 1
4 405 1 1 5 ASP H H 5.808 -4.666 -4.211 1.00 . A A . 5 ASP H 1 1
4 406 1 1 5 ASP HA H 8.378 -3.246 -4.016 1.00 . A A . 5 ASP HA 1 1
4 407 1 1 5 ASP HB2 H 6.144 -2.516 -5.919 1.00 . A A . 5 ASP HB2 1 1
4 408 1 1 5 ASP HB3 H 7.717 -1.734 -5.787 1.00 . A A . 5 ASP HB3 1 1
4 409 1 1 5 ASP N N 6.779 -4.542 -4.167 1.00 . A A . 5 ASP N 1 1
4 410 1 1 5 ASP O O 5.760 -1.466 -3.675 1.00 . A A . 5 ASP O 1 1
4 411 1 1 5 ASP OD1 O 8.969 -3.560 -7.006 1.00 . A A . 5 ASP OD1 1 1
4 412 1 1 5 ASP OD2 O 6.981 -4.465 -7.251 1.00 . A A . 5 ASP OD2 1 1
4 413 1 1 6 PRO C C 6.858 -0.011 -1.113 1.00 . A A . 6 PRO C 1 1
4 414 1 1 6 PRO CA C 6.454 -1.474 -0.966 1.00 . A A . 6 PRO CA 1 1
4 415 1 1 6 PRO CB C 7.038 -2.064 0.320 1.00 . A A . 6 PRO CB 1 1
4 416 1 1 6 PRO CD C 8.064 -3.227 -1.499 1.00 . A A . 6 PRO CD 1 1
4 417 1 1 6 PRO CG C 8.307 -2.718 -0.106 1.00 . A A . 6 PRO CG 1 1
4 418 1 1 6 PRO HA H 5.377 -1.548 -0.942 1.00 . A A . 6 PRO HA 1 1
4 419 1 1 6 PRO HB2 H 7.220 -1.271 1.032 1.00 . A A . 6 PRO HB2 1 1
4 420 1 1 6 PRO HB3 H 6.346 -2.779 0.738 1.00 . A A . 6 PRO HB3 1 1
4 421 1 1 6 PRO HD2 H 8.966 -3.160 -2.089 1.00 . A A . 6 PRO HD2 1 1
4 422 1 1 6 PRO HD3 H 7.704 -4.245 -1.472 1.00 . A A . 6 PRO HD3 1 1
4 423 1 1 6 PRO HG2 H 9.110 -1.997 -0.105 1.00 . A A . 6 PRO HG2 1 1
4 424 1 1 6 PRO HG3 H 8.537 -3.538 0.558 1.00 . A A . 6 PRO HG3 1 1
4 425 1 1 6 PRO N N 7.028 -2.318 -2.019 1.00 . A A . 6 PRO N 1 1
4 426 1 1 6 PRO O O 6.342 0.858 -0.410 1.00 . A A . 6 PRO O 1 1
4 427 1 1 7 TRP C C 7.792 2.119 -3.629 1.00 . A A . 7 TRP C 1 1
4 428 1 1 7 TRP CA C 8.254 1.613 -2.267 1.00 . A A . 7 TRP CA 1 1
4 429 1 1 7 TRP CB C 9.781 1.667 -2.180 1.00 . A A . 7 TRP CB 1 1
4 430 1 1 7 TRP CD1 C 11.175 3.768 -1.720 1.00 . A A . 7 TRP CD1 1 1
4 431 1 1 7 TRP CD2 C 9.939 3.083 0.018 1.00 . A A . 7 TRP CD2 1 1
4 432 1 1 7 TRP CE2 C 10.652 4.237 0.400 1.00 . A A . 7 TRP CE2 1 1
4 433 1 1 7 TRP CE3 C 9.093 2.476 0.950 1.00 . A A . 7 TRP CE3 1 1
4 434 1 1 7 TRP CG C 10.288 2.801 -1.341 1.00 . A A . 7 TRP CG 1 1
4 435 1 1 7 TRP CH2 C 9.708 4.176 2.564 1.00 . A A . 7 TRP CH2 1 1
4 436 1 1 7 TRP CZ2 C 10.544 4.792 1.672 1.00 . A A . 7 TRP CZ2 1 1
4 437 1 1 7 TRP CZ3 C 8.987 3.027 2.213 1.00 . A A . 7 TRP CZ3 1 1
4 438 1 1 7 TRP H H 8.156 -0.482 -2.558 1.00 . A A . 7 TRP H 1 1
4 439 1 1 7 TRP HA H 7.836 2.248 -1.500 1.00 . A A . 7 TRP HA 1 1
4 440 1 1 7 TRP HB2 H 10.143 0.746 -1.750 1.00 . A A . 7 TRP HB2 1 1
4 441 1 1 7 TRP HB3 H 10.187 1.780 -3.175 1.00 . A A . 7 TRP HB3 1 1
4 442 1 1 7 TRP HD1 H 11.627 3.828 -2.698 1.00 . A A . 7 TRP HD1 1 1
4 443 1 1 7 TRP HE1 H 11.996 5.412 -0.703 1.00 . A A . 7 TRP HE1 1 1
4 444 1 1 7 TRP HE3 H 8.529 1.590 0.698 1.00 . A A . 7 TRP HE3 1 1
4 445 1 1 7 TRP HH2 H 9.595 4.572 3.562 1.00 . A A . 7 TRP HH2 1 1
4 446 1 1 7 TRP HZ2 H 11.093 5.677 1.959 1.00 . A A . 7 TRP HZ2 1 1
4 447 1 1 7 TRP HZ3 H 8.339 2.571 2.946 1.00 . A A . 7 TRP HZ3 1 1
4 448 1 1 7 TRP N N 7.782 0.254 -2.029 1.00 . A A . 7 TRP N 1 1
4 449 1 1 7 TRP NE1 N 11.399 4.634 -0.677 1.00 . A A . 7 TRP NE1 1 1
4 450 1 1 7 TRP O O 8.307 3.114 -4.140 1.00 . A A . 7 TRP O 1 1
4 451 1 1 8 CYS C C 5.604 3.171 -5.450 1.00 . A A . 8 CYS C 1 1
4 452 1 1 8 CYS CA C 6.287 1.808 -5.516 1.00 . A A . 8 CYS CA 1 1
4 453 1 1 8 CYS CB C 5.297 0.753 -6.013 1.00 . A A . 8 CYS CB 1 1
4 454 1 1 8 CYS H H 6.448 0.644 -3.756 1.00 . A A . 8 CYS H 1 1
4 455 1 1 8 CYS HA H 7.114 1.867 -6.208 1.00 . A A . 8 CYS HA 1 1
4 456 1 1 8 CYS HB2 H 5.081 0.936 -7.056 1.00 . A A . 8 CYS HB2 1 1
4 457 1 1 8 CYS HB3 H 5.742 -0.225 -5.910 1.00 . A A . 8 CYS HB3 1 1
4 458 1 1 8 CYS N N 6.819 1.429 -4.213 1.00 . A A . 8 CYS N 1 1
4 459 1 1 8 CYS O O 4.989 3.519 -4.442 1.00 . A A . 8 CYS O 1 1
4 460 1 1 8 CYS SG S 3.712 0.740 -5.115 1.00 . A A . 8 CYS SG 1 1
5 461 1 1 1 GLY C C 1.914 -1.780 -1.761 1.00 . A A . 1 GLY C 1 1
5 462 1 1 1 GLY CA C 2.332 -0.791 -0.691 1.00 . A A . 1 GLY CA 1 1
5 463 1 1 1 GLY H1 H 0.539 -1.223 0.349 1.00 . A A . 1 GLY H1 1 1
5 464 1 1 1 GLY HA2 H 2.440 0.185 -1.140 1.00 . A A . 1 GLY HA2 1 1
5 465 1 1 1 GLY HA3 H 3.286 -1.098 -0.287 1.00 . A A . 1 GLY HA3 1 1
5 466 1 1 1 GLY N N 1.371 -0.705 0.392 1.00 . A A . 1 GLY N 1 1
5 467 1 1 1 GLY O O 0.785 -2.273 -1.755 1.00 . A A . 1 GLY O 1 1
5 468 1 1 2 CYS C C 3.386 -4.270 -3.626 1.00 . A A . 2 CYS C 1 1
5 469 1 1 2 CYS CA C 2.544 -3.006 -3.768 1.00 . A A . 2 CYS CA 1 1
5 470 1 1 2 CYS CB C 2.817 -2.347 -5.121 1.00 . A A . 2 CYS CB 1 1
5 471 1 1 2 CYS H H 3.707 -1.646 -2.637 1.00 . A A . 2 CYS H 1 1
5 472 1 1 2 CYS HA H 1.500 -3.275 -3.712 1.00 . A A . 2 CYS HA 1 1
5 473 1 1 2 CYS HB2 H 3.884 -2.282 -5.273 1.00 . A A . 2 CYS HB2 1 1
5 474 1 1 2 CYS HB3 H 2.384 -2.954 -5.902 1.00 . A A . 2 CYS HB3 1 1
5 475 1 1 2 CYS N N 2.824 -2.071 -2.684 1.00 . A A . 2 CYS N 1 1
5 476 1 1 2 CYS O O 4.459 -4.268 -3.021 1.00 . A A . 2 CYS O 1 1
5 477 1 1 2 CYS SG S 2.133 -0.666 -5.281 1.00 . A A . 2 CYS SG 1 1
5 478 1 1 3 PRO C C 4.848 -6.682 -4.997 1.00 . A A . 3 PRO C 1 1
5 479 1 1 3 PRO CA C 3.581 -6.670 -4.149 1.00 . A A . 3 PRO CA 1 1
5 480 1 1 3 PRO CB C 2.548 -7.646 -4.718 1.00 . A A . 3 PRO CB 1 1
5 481 1 1 3 PRO CD C 1.618 -5.454 -4.934 1.00 . A A . 3 PRO CD 1 1
5 482 1 1 3 PRO CG C 1.673 -6.808 -5.586 1.00 . A A . 3 PRO CG 1 1
5 483 1 1 3 PRO HA H 3.825 -6.952 -3.136 1.00 . A A . 3 PRO HA 1 1
5 484 1 1 3 PRO HB2 H 3.051 -8.415 -5.288 1.00 . A A . 3 PRO HB2 1 1
5 485 1 1 3 PRO HB3 H 1.989 -8.095 -3.911 1.00 . A A . 3 PRO HB3 1 1
5 486 1 1 3 PRO HD2 H 1.558 -4.678 -5.682 1.00 . A A . 3 PRO HD2 1 1
5 487 1 1 3 PRO HD3 H 0.778 -5.396 -4.258 1.00 . A A . 3 PRO HD3 1 1
5 488 1 1 3 PRO HG2 H 2.102 -6.731 -6.574 1.00 . A A . 3 PRO HG2 1 1
5 489 1 1 3 PRO HG3 H 0.685 -7.240 -5.637 1.00 . A A . 3 PRO HG3 1 1
5 490 1 1 3 PRO N N 2.890 -5.378 -4.197 1.00 . A A . 3 PRO N 1 1
5 491 1 1 3 PRO O O 4.752 -6.659 -6.224 1.00 . A A . 3 PRO O 1 1
5 492 1 1 4 DTR C C 7.857 -5.323 -4.979 1.00 . A A . 4 DTR C 1 1
5 493 1 1 4 DTR CA C 7.266 -6.733 -5.040 1.00 . A A . 4 DTR CA 1 1
5 494 1 1 4 DTR CB C 8.200 -7.798 -4.463 1.00 . A A . 4 DTR CB 1 1
5 495 1 1 4 DTR CD1 C 6.796 -9.737 -5.427 1.00 . A A . 4 DTR CD1 1 1
5 496 1 1 4 DTR CD2 C 7.902 -10.288 -3.588 1.00 . A A . 4 DTR CD2 1 1
5 497 1 1 4 DTR CE2 C 7.199 -11.403 -3.996 1.00 . A A . 4 DTR CE2 1 1
5 498 1 1 4 DTR CE3 C 8.712 -10.312 -2.439 1.00 . A A . 4 DTR CE3 1 1
5 499 1 1 4 DTR CG C 7.634 -9.218 -4.519 1.00 . A A . 4 DTR CG 1 1
5 500 1 1 4 DTR CH2 C 8.034 -12.672 -2.164 1.00 . A A . 4 DTR CH2 1 1
5 501 1 1 4 DTR CZ2 C 7.234 -12.624 -3.312 1.00 . A A . 4 DTR CZ2 1 1
5 502 1 1 4 DTR CZ3 C 8.736 -11.540 -1.766 1.00 . A A . 4 DTR CZ3 1 1
5 503 1 1 4 DTR H H 6.065 -6.737 -3.338 1.00 . A A . 4 DTR H 1 1
5 504 1 1 4 DTR HA H 7.069 -7.010 -6.076 1.00 . A A . 4 DTR HA 1 1
5 505 1 1 4 DTR HB2 H 8.424 -7.548 -3.426 1.00 . A A . 4 DTR HB2 1 1
5 506 1 1 4 DTR HB3 H 9.144 -7.772 -5.008 1.00 . A A . 4 DTR HB3 1 1
5 507 1 1 4 DTR HD1 H 6.394 -9.186 -6.277 1.00 . A A . 4 DTR HD1 1 1
5 508 1 1 4 DTR HE1 H 5.850 -11.709 -5.728 1.00 . A A . 4 DTR HE1 1 1
5 509 1 1 4 DTR HE3 H 9.277 -9.446 -2.096 1.00 . A A . 4 DTR HE3 1 1
5 510 1 1 4 DTR HH2 H 8.106 -13.592 -1.585 1.00 . A A . 4 DTR HH2 1 1
5 511 1 1 4 DTR HZ2 H 6.668 -13.491 -3.654 1.00 . A A . 4 DTR HZ2 1 1
5 512 1 1 4 DTR HZ3 H 9.349 -11.614 -0.868 1.00 . A A . 4 DTR HZ3 1 1
5 513 1 1 4 DTR N N 5.995 -6.718 -4.335 1.00 . A A . 4 DTR N 1 1
5 514 1 1 4 DTR NE1 N 6.504 -11.057 -5.149 1.00 . A A . 4 DTR NE1 1 1
5 515 1 1 4 DTR O O 9.069 -5.119 -5.056 1.00 . A A . 4 DTR O 1 1
5 516 1 1 5 ASP C C 6.737 -2.263 -3.556 1.00 . A A . 5 ASP C 1 1
5 517 1 1 5 ASP CA C 7.372 -2.948 -4.762 1.00 . A A . 5 ASP CA 1 1
5 518 1 1 5 ASP CB C 6.984 -2.212 -6.045 1.00 . A A . 5 ASP CB 1 1
5 519 1 1 5 ASP CG C 7.629 -0.844 -6.147 1.00 . A A . 5 ASP CG 1 1
5 520 1 1 5 ASP H H 6.015 -4.572 -4.782 1.00 . A A . 5 ASP H 1 1
5 521 1 1 5 ASP HA H 8.446 -2.919 -4.653 1.00 . A A . 5 ASP HA 1 1
5 522 1 1 5 ASP HB2 H 7.294 -2.799 -6.898 1.00 . A A . 5 ASP HB2 1 1
5 523 1 1 5 ASP HB3 H 5.911 -2.087 -6.070 1.00 . A A . 5 ASP HB3 1 1
5 524 1 1 5 ASP N N 6.967 -4.347 -4.838 1.00 . A A . 5 ASP N 1 1
5 525 1 1 5 ASP O O 5.752 -1.534 -3.673 1.00 . A A . 5 ASP O 1 1
5 526 1 1 5 ASP OD1 O 8.181 -0.371 -5.131 1.00 . A A . 5 ASP OD1 1 1
5 527 1 1 5 ASP OD2 O 7.583 -0.246 -7.242 1.00 . A A . 5 ASP OD2 1 1
5 528 1 1 6 PRO C C 7.064 -0.414 -1.044 1.00 . A A . 6 PRO C 1 1
5 529 1 1 6 PRO CA C 6.820 -1.917 -1.118 1.00 . A A . 6 PRO CA 1 1
5 530 1 1 6 PRO CB C 7.631 -2.644 -0.042 1.00 . A A . 6 PRO CB 1 1
5 531 1 1 6 PRO CD C 8.490 -3.360 -2.155 1.00 . A A . 6 PRO CD 1 1
5 532 1 1 6 PRO CG C 8.881 -3.068 -0.733 1.00 . A A . 6 PRO CG 1 1
5 533 1 1 6 PRO HA H 5.768 -2.117 -0.974 1.00 . A A . 6 PRO HA 1 1
5 534 1 1 6 PRO HB2 H 7.839 -1.967 0.774 1.00 . A A . 6 PRO HB2 1 1
5 535 1 1 6 PRO HB3 H 7.073 -3.494 0.321 1.00 . A A . 6 PRO HB3 1 1
5 536 1 1 6 PRO HD2 H 9.290 -3.092 -2.829 1.00 . A A . 6 PRO HD2 1 1
5 537 1 1 6 PRO HD3 H 8.232 -4.402 -2.269 1.00 . A A . 6 PRO HD3 1 1
5 538 1 1 6 PRO HG2 H 9.607 -2.270 -0.700 1.00 . A A . 6 PRO HG2 1 1
5 539 1 1 6 PRO HG3 H 9.276 -3.957 -0.263 1.00 . A A . 6 PRO HG3 1 1
5 540 1 1 6 PRO N N 7.313 -2.501 -2.368 1.00 . A A . 6 PRO N 1 1
5 541 1 1 6 PRO O O 6.576 0.260 -0.137 1.00 . A A . 6 PRO O 1 1
5 542 1 1 7 TRP C C 7.433 2.202 -3.225 1.00 . A A . 7 TRP C 1 1
5 543 1 1 7 TRP CA C 8.130 1.530 -2.047 1.00 . A A . 7 TRP CA 1 1
5 544 1 1 7 TRP CB C 9.641 1.743 -2.144 1.00 . A A . 7 TRP CB 1 1
5 545 1 1 7 TRP CD1 C 10.693 4.079 -2.084 1.00 . A A . 7 TRP CD1 1 1
5 546 1 1 7 TRP CD2 C 10.029 3.317 -0.085 1.00 . A A . 7 TRP CD2 1 1
5 547 1 1 7 TRP CE2 C 10.584 4.600 0.085 1.00 . A A . 7 TRP CE2 1 1
5 548 1 1 7 TRP CE3 C 9.541 2.640 1.036 1.00 . A A . 7 TRP CE3 1 1
5 549 1 1 7 TRP CG C 10.107 3.003 -1.480 1.00 . A A . 7 TRP CG 1 1
5 550 1 1 7 TRP CH2 C 10.181 4.530 2.412 1.00 . A A . 7 TRP CH2 1 1
5 551 1 1 7 TRP CZ2 C 10.666 5.216 1.331 1.00 . A A . 7 TRP CZ2 1 1
5 552 1 1 7 TRP CZ3 C 9.623 3.252 2.272 1.00 . A A . 7 TRP CZ3 1 1
5 553 1 1 7 TRP H H 8.182 -0.484 -2.700 1.00 . A A . 7 TRP H 1 1
5 554 1 1 7 TRP HA H 7.771 1.974 -1.130 1.00 . A A . 7 TRP HA 1 1
5 555 1 1 7 TRP HB2 H 10.146 0.912 -1.674 1.00 . A A . 7 TRP HB2 1 1
5 556 1 1 7 TRP HB3 H 9.925 1.789 -3.185 1.00 . A A . 7 TRP HB3 1 1
5 557 1 1 7 TRP HD1 H 10.894 4.148 -3.142 1.00 . A A . 7 TRP HD1 1 1
5 558 1 1 7 TRP HE1 H 11.405 5.908 -1.335 1.00 . A A . 7 TRP HE1 1 1
5 559 1 1 7 TRP HE3 H 9.107 1.654 0.948 1.00 . A A . 7 TRP HE3 1 1
5 560 1 1 7 TRP HH2 H 10.224 4.970 3.396 1.00 . A A . 7 TRP HH2 1 1
5 561 1 1 7 TRP HZ2 H 11.092 6.201 1.455 1.00 . A A . 7 TRP HZ2 1 1
5 562 1 1 7 TRP HZ3 H 9.251 2.744 3.150 1.00 . A A . 7 TRP HZ3 1 1
5 563 1 1 7 TRP N N 7.821 0.105 -2.004 1.00 . A A . 7 TRP N 1 1
5 564 1 1 7 TRP NE1 N 10.983 5.043 -1.148 1.00 . A A . 7 TRP NE1 1 1
5 565 1 1 7 TRP O O 7.777 3.322 -3.606 1.00 . A A . 7 TRP O 1 1
5 566 1 1 8 CYS C C 4.918 3.287 -4.534 1.00 . A A . 8 CYS C 1 1
5 567 1 1 8 CYS CA C 5.707 2.043 -4.934 1.00 . A A . 8 CYS CA 1 1
5 568 1 1 8 CYS CB C 4.757 0.980 -5.488 1.00 . A A . 8 CYS CB 1 1
5 569 1 1 8 CYS H H 6.224 0.625 -3.450 1.00 . A A . 8 CYS H 1 1
5 570 1 1 8 CYS HA H 6.417 2.314 -5.700 1.00 . A A . 8 CYS HA 1 1
5 571 1 1 8 CYS HB2 H 4.378 1.310 -6.445 1.00 . A A . 8 CYS HB2 1 1
5 572 1 1 8 CYS HB3 H 5.301 0.056 -5.621 1.00 . A A . 8 CYS HB3 1 1
5 573 1 1 8 CYS N N 6.452 1.513 -3.799 1.00 . A A . 8 CYS N 1 1
5 574 1 1 8 CYS O O 4.678 4.171 -5.355 1.00 . A A . 8 CYS O 1 1
5 575 1 1 8 CYS SG S 3.325 0.631 -4.418 1.00 . A A . 8 CYS SG 1 1
6 576 1 1 1 GLY C C 1.688 -1.351 -2.038 1.00 . A A . 1 GLY C 1 1
6 577 1 1 1 GLY CA C 2.273 -0.390 -1.021 1.00 . A A . 1 GLY CA 1 1
6 578 1 1 1 GLY H1 H 0.613 0.266 0.117 1.00 . A A . 1 GLY H1 1 1
6 579 1 1 1 GLY HA2 H 2.384 0.580 -1.481 1.00 . A A . 1 GLY HA2 1 1
6 580 1 1 1 GLY HA3 H 3.247 -0.750 -0.723 1.00 . A A . 1 GLY HA3 1 1
6 581 1 1 1 GLY N N 1.440 -0.258 0.160 1.00 . A A . 1 GLY N 1 1
6 582 1 1 1 GLY O O 0.497 -1.658 -1.999 1.00 . A A . 1 GLY O 1 1
6 583 1 1 2 CYS C C 2.724 -4.128 -3.788 1.00 . A A . 2 CYS C 1 1
6 584 1 1 2 CYS CA C 2.088 -2.755 -3.986 1.00 . A A . 2 CYS CA 1 1
6 585 1 1 2 CYS CB C 2.441 -2.212 -5.372 1.00 . A A . 2 CYS CB 1 1
6 586 1 1 2 CYS H H 3.467 -1.543 -2.932 1.00 . A A . 2 CYS H 1 1
6 587 1 1 2 CYS HA H 1.016 -2.853 -3.909 1.00 . A A . 2 CYS HA 1 1
6 588 1 1 2 CYS HB2 H 3.503 -2.323 -5.535 1.00 . A A . 2 CYS HB2 1 1
6 589 1 1 2 CYS HB3 H 1.907 -2.781 -6.119 1.00 . A A . 2 CYS HB3 1 1
6 590 1 1 2 CYS N N 2.528 -1.825 -2.952 1.00 . A A . 2 CYS N 1 1
6 591 1 1 2 CYS O O 3.792 -4.266 -3.193 1.00 . A A . 2 CYS O 1 1
6 592 1 1 2 CYS SG S 2.026 -0.454 -5.610 1.00 . A A . 2 CYS SG 1 1
6 593 1 1 3 PRO C C 3.768 -6.802 -5.050 1.00 . A A . 3 PRO C 1 1
6 594 1 1 3 PRO CA C 2.531 -6.551 -4.194 1.00 . A A . 3 PRO CA 1 1
6 595 1 1 3 PRO CB C 1.349 -7.378 -4.706 1.00 . A A . 3 PRO CB 1 1
6 596 1 1 3 PRO CD C 0.772 -5.080 -5.023 1.00 . A A . 3 PRO CD 1 1
6 597 1 1 3 PRO CG C 0.604 -6.455 -5.608 1.00 . A A . 3 PRO CG 1 1
6 598 1 1 3 PRO HA H 2.743 -6.819 -3.169 1.00 . A A . 3 PRO HA 1 1
6 599 1 1 3 PRO HB2 H 1.717 -8.243 -5.241 1.00 . A A . 3 PRO HB2 1 1
6 600 1 1 3 PRO HB3 H 0.739 -7.694 -3.874 1.00 . A A . 3 PRO HB3 1 1
6 601 1 1 3 PRO HD2 H 0.823 -4.340 -5.808 1.00 . A A . 3 PRO HD2 1 1
6 602 1 1 3 PRO HD3 H -0.038 -4.857 -4.345 1.00 . A A . 3 PRO HD3 1 1
6 603 1 1 3 PRO HG2 H 1.024 -6.494 -6.601 1.00 . A A . 3 PRO HG2 1 1
6 604 1 1 3 PRO HG3 H -0.440 -6.728 -5.630 1.00 . A A . 3 PRO HG3 1 1
6 605 1 1 3 PRO N N 2.052 -5.170 -4.300 1.00 . A A . 3 PRO N 1 1
6 606 1 1 3 PRO O O 3.658 -6.823 -6.275 1.00 . A A . 3 PRO O 1 1
6 607 1 1 4 DTR C C 6.953 -5.935 -5.120 1.00 . A A . 4 DTR C 1 1
6 608 1 1 4 DTR CA C 6.147 -7.235 -5.108 1.00 . A A . 4 DTR CA 1 1
6 609 1 1 4 DTR CB C 6.911 -8.406 -4.486 1.00 . A A . 4 DTR CB 1 1
6 610 1 1 4 DTR CD1 C 7.082 -7.952 -1.951 1.00 . A A . 4 DTR CD1 1 1
6 611 1 1 4 DTR CD2 C 9.024 -7.784 -3.003 1.00 . A A . 4 DTR CD2 1 1
6 612 1 1 4 DTR CE2 C 9.254 -7.520 -1.668 1.00 . A A . 4 DTR CE2 1 1
6 613 1 1 4 DTR CE3 C 10.068 -7.756 -3.945 1.00 . A A . 4 DTR CE3 1 1
6 614 1 1 4 DTR CG C 7.619 -8.061 -3.174 1.00 . A A . 4 DTR CG 1 1
6 615 1 1 4 DTR CH2 C 11.573 -7.176 -2.074 1.00 . A A . 4 DTR CH2 1 1
6 616 1 1 4 DTR CZ2 C 10.518 -7.210 -1.154 1.00 . A A . 4 DTR CZ2 1 1
6 617 1 1 4 DTR CZ3 C 11.326 -7.444 -3.415 1.00 . A A . 4 DTR CZ3 1 1
6 618 1 1 4 DTR H H 4.986 -6.969 -3.399 1.00 . A A . 4 DTR H 1 1
6 619 1 1 4 DTR HA H 5.894 -7.527 -6.127 1.00 . A A . 4 DTR HA 1 1
6 620 1 1 4 DTR HB2 H 7.650 -8.765 -5.202 1.00 . A A . 4 DTR HB2 1 1
6 621 1 1 4 DTR HB3 H 6.216 -9.226 -4.308 1.00 . A A . 4 DTR HB3 1 1
6 622 1 1 4 DTR HD1 H 6.025 -8.102 -1.730 1.00 . A A . 4 DTR HD1 1 1
6 623 1 1 4 DTR HE1 H 7.863 -7.478 0.058 1.00 . A A . 4 DTR HE1 1 1
6 624 1 1 4 DTR HE3 H 9.913 -7.961 -5.004 1.00 . A A . 4 DTR HE3 1 1
6 625 1 1 4 DTR HH2 H 12.584 -6.941 -1.740 1.00 . A A . 4 DTR HH2 1 1
6 626 1 1 4 DTR HZ2 H 10.673 -7.005 -0.094 1.00 . A A . 4 DTR HZ2 1 1
6 627 1 1 4 DTR HZ3 H 12.171 -7.410 -4.103 1.00 . A A . 4 DTR HZ3 1 1
6 628 1 1 4 DTR N N 4.905 -6.987 -4.395 1.00 . A A . 4 DTR N 1 1
6 629 1 1 4 DTR NE1 N 8.035 -7.626 -1.008 1.00 . A A . 4 DTR NE1 1 1
6 630 1 1 4 DTR O O 8.181 -5.929 -5.215 1.00 . A A . 4 DTR O 1 1
6 631 1 1 5 ASP C C 6.349 -2.672 -3.842 1.00 . A A . 5 ASP C 1 1
6 632 1 1 5 ASP CA C 6.851 -3.505 -5.017 1.00 . A A . 5 ASP CA 1 1
6 633 1 1 5 ASP CB C 6.564 -2.780 -6.333 1.00 . A A . 5 ASP CB 1 1
6 634 1 1 5 ASP CG C 7.531 -1.640 -6.588 1.00 . A A . 5 ASP CG 1 1
6 635 1 1 5 ASP H H 5.255 -4.895 -4.948 1.00 . A A . 5 ASP H 1 1
6 636 1 1 5 ASP HA H 7.917 -3.641 -4.917 1.00 . A A . 5 ASP HA 1 1
6 637 1 1 5 ASP HB2 H 6.642 -3.483 -7.149 1.00 . A A . 5 ASP HB2 1 1
6 638 1 1 5 ASP HB3 H 5.562 -2.378 -6.303 1.00 . A A . 5 ASP HB3 1 1
6 639 1 1 5 ASP N N 6.230 -4.825 -5.021 1.00 . A A . 5 ASP N 1 1
6 640 1 1 5 ASP O O 5.489 -1.804 -3.988 1.00 . A A . 5 ASP O 1 1
6 641 1 1 5 ASP OD1 O 8.649 -1.675 -6.033 1.00 . A A . 5 ASP OD1 1 1
6 642 1 1 5 ASP OD2 O 7.170 -0.714 -7.343 1.00 . A A . 5 ASP OD2 1 1
6 643 1 1 6 PRO C C 6.999 -0.780 -1.427 1.00 . A A . 6 PRO C 1 1
6 644 1 1 6 PRO CA C 6.521 -2.228 -1.425 1.00 . A A . 6 PRO CA 1 1
6 645 1 1 6 PRO CB C 7.225 -3.021 -0.320 1.00 . A A . 6 PRO CB 1 1
6 646 1 1 6 PRO CD C 7.930 -3.963 -2.401 1.00 . A A . 6 PRO CD 1 1
6 647 1 1 6 PRO CG C 8.383 -3.669 -0.998 1.00 . A A . 6 PRO CG 1 1
6 648 1 1 6 PRO HA H 5.453 -2.253 -1.264 1.00 . A A . 6 PRO HA 1 1
6 649 1 1 6 PRO HB2 H 7.549 -2.347 0.460 1.00 . A A . 6 PRO HB2 1 1
6 650 1 1 6 PRO HB3 H 6.546 -3.755 0.089 1.00 . A A . 6 PRO HB3 1 1
6 651 1 1 6 PRO HD2 H 8.752 -3.857 -3.094 1.00 . A A . 6 PRO HD2 1 1
6 652 1 1 6 PRO HD3 H 7.509 -4.957 -2.462 1.00 . A A . 6 PRO HD3 1 1
6 653 1 1 6 PRO HG2 H 9.225 -2.994 -1.010 1.00 . A A . 6 PRO HG2 1 1
6 654 1 1 6 PRO HG3 H 8.641 -4.585 -0.488 1.00 . A A . 6 PRO HG3 1 1
6 655 1 1 6 PRO N N 6.898 -2.942 -2.648 1.00 . A A . 6 PRO N 1 1
6 656 1 1 6 PRO O O 6.636 0.005 -0.551 1.00 . A A . 6 PRO O 1 1
6 657 1 1 7 TRP C C 7.741 1.638 -3.738 1.00 . A A . 7 TRP C 1 1
6 658 1 1 7 TRP CA C 8.341 0.922 -2.533 1.00 . A A . 7 TRP CA 1 1
6 659 1 1 7 TRP CB C 9.866 0.890 -2.650 1.00 . A A . 7 TRP CB 1 1
6 660 1 1 7 TRP CD1 C 11.458 -0.159 -0.937 1.00 . A A . 7 TRP CD1 1 1
6 661 1 1 7 TRP CD2 C 10.416 1.688 -0.216 1.00 . A A . 7 TRP CD2 1 1
6 662 1 1 7 TRP CE2 C 11.255 1.214 0.812 1.00 . A A . 7 TRP CE2 1 1
6 663 1 1 7 TRP CE3 C 9.662 2.842 0.009 1.00 . A A . 7 TRP CE3 1 1
6 664 1 1 7 TRP CG C 10.561 0.795 -1.326 1.00 . A A . 7 TRP CG 1 1
6 665 1 1 7 TRP CH2 C 10.606 2.983 2.237 1.00 . A A . 7 TRP CH2 1 1
6 666 1 1 7 TRP CZ2 C 11.357 1.855 2.044 1.00 . A A . 7 TRP CZ2 1 1
6 667 1 1 7 TRP CZ3 C 9.763 3.477 1.232 1.00 . A A . 7 TRP CZ3 1 1
6 668 1 1 7 TRP H H 8.067 -1.104 -3.086 1.00 . A A . 7 TRP H 1 1
6 669 1 1 7 TRP HA H 8.069 1.460 -1.637 1.00 . A A . 7 TRP HA 1 1
6 670 1 1 7 TRP HB2 H 10.157 0.035 -3.241 1.00 . A A . 7 TRP HB2 1 1
6 671 1 1 7 TRP HB3 H 10.201 1.793 -3.140 1.00 . A A . 7 TRP HB3 1 1
6 672 1 1 7 TRP HD1 H 11.778 -0.982 -1.558 1.00 . A A . 7 TRP HD1 1 1
6 673 1 1 7 TRP HE1 H 12.522 -0.457 0.849 1.00 . A A . 7 TRP HE1 1 1
6 674 1 1 7 TRP HE3 H 9.006 3.238 -0.753 1.00 . A A . 7 TRP HE3 1 1
6 675 1 1 7 TRP HH2 H 10.654 3.511 3.176 1.00 . A A . 7 TRP HH2 1 1
6 676 1 1 7 TRP HZ2 H 12.002 1.487 2.828 1.00 . A A . 7 TRP HZ2 1 1
6 677 1 1 7 TRP HZ3 H 9.187 4.370 1.424 1.00 . A A . 7 TRP HZ3 1 1
6 678 1 1 7 TRP N N 7.814 -0.433 -2.417 1.00 . A A . 7 TRP N 1 1
6 679 1 1 7 TRP NE1 N 11.878 0.086 0.348 1.00 . A A . 7 TRP NE1 1 1
6 680 1 1 7 TRP O O 8.251 2.669 -4.177 1.00 . A A . 7 TRP O 1 1
6 681 1 1 8 CYS C C 5.409 3.041 -5.081 1.00 . A A . 8 CYS C 1 1
6 682 1 1 8 CYS CA C 5.986 1.671 -5.424 1.00 . A A . 8 CYS CA 1 1
6 683 1 1 8 CYS CB C 4.873 0.746 -5.918 1.00 . A A . 8 CYS CB 1 1
6 684 1 1 8 CYS H H 6.296 0.263 -3.875 1.00 . A A . 8 CYS H 1 1
6 685 1 1 8 CYS HA H 6.719 1.789 -6.208 1.00 . A A . 8 CYS HA 1 1
6 686 1 1 8 CYS HB2 H 4.536 1.085 -6.887 1.00 . A A . 8 CYS HB2 1 1
6 687 1 1 8 CYS HB3 H 5.263 -0.257 -6.010 1.00 . A A . 8 CYS HB3 1 1
6 688 1 1 8 CYS N N 6.656 1.085 -4.269 1.00 . A A . 8 CYS N 1 1
6 689 1 1 8 CYS O O 5.029 3.297 -3.939 1.00 . A A . 8 CYS O 1 1
6 690 1 1 8 CYS SG S 3.420 0.679 -4.821 1.00 . A A . 8 CYS SG 1 1
7 691 1 1 1 GLY C C 1.867 -1.909 -1.762 1.00 . A A . 1 GLY C 1 1
7 692 1 1 1 GLY CA C 2.262 -0.933 -0.671 1.00 . A A . 1 GLY CA 1 1
7 693 1 1 1 GLY H1 H 1.362 -1.839 1.018 1.00 . A A . 1 GLY H1 1 1
7 694 1 1 1 GLY HA2 H 2.220 0.070 -1.068 1.00 . A A . 1 GLY HA2 1 1
7 695 1 1 1 GLY HA3 H 3.275 -1.146 -0.363 1.00 . A A . 1 GLY HA3 1 1
7 696 1 1 1 GLY N N 1.392 -1.015 0.488 1.00 . A A . 1 GLY N 1 1
7 697 1 1 1 GLY O O 0.753 -2.433 -1.763 1.00 . A A . 1 GLY O 1 1
7 698 1 1 2 CYS C C 3.409 -4.311 -3.691 1.00 . A A . 2 CYS C 1 1
7 699 1 1 2 CYS CA C 2.525 -3.071 -3.797 1.00 . A A . 2 CYS CA 1 1
7 700 1 1 2 CYS CB C 2.766 -2.372 -5.136 1.00 . A A . 2 CYS CB 1 1
7 701 1 1 2 CYS H H 3.653 -1.705 -2.639 1.00 . A A . 2 CYS H 1 1
7 702 1 1 2 CYS HA H 1.491 -3.376 -3.741 1.00 . A A . 2 CYS HA 1 1
7 703 1 1 2 CYS HB2 H 3.830 -2.269 -5.293 1.00 . A A . 2 CYS HB2 1 1
7 704 1 1 2 CYS HB3 H 2.348 -2.975 -5.929 1.00 . A A . 2 CYS HB3 1 1
7 705 1 1 2 CYS N N 2.782 -2.154 -2.694 1.00 . A A . 2 CYS N 1 1
7 706 1 1 2 CYS O O 4.485 -4.287 -3.093 1.00 . A A . 2 CYS O 1 1
7 707 1 1 2 CYS SG S 2.027 -0.711 -5.252 1.00 . A A . 2 CYS SG 1 1
7 708 1 1 3 PRO C C 4.938 -6.641 -5.128 1.00 . A A . 3 PRO C 1 1
7 709 1 1 3 PRO CA C 3.677 -6.690 -4.272 1.00 . A A . 3 PRO CA 1 1
7 710 1 1 3 PRO CB C 2.672 -7.685 -4.857 1.00 . A A . 3 PRO CB 1 1
7 711 1 1 3 PRO CD C 1.670 -5.521 -5.015 1.00 . A A . 3 PRO CD 1 1
7 712 1 1 3 PRO CG C 1.765 -6.857 -5.699 1.00 . A A . 3 PRO CG 1 1
7 713 1 1 3 PRO HA H 3.938 -6.988 -3.267 1.00 . A A . 3 PRO HA 1 1
7 714 1 1 3 PRO HB2 H 3.195 -8.424 -5.448 1.00 . A A . 3 PRO HB2 1 1
7 715 1 1 3 PRO HB3 H 2.134 -8.171 -4.057 1.00 . A A . 3 PRO HB3 1 1
7 716 1 1 3 PRO HD2 H 1.580 -4.729 -5.744 1.00 . A A . 3 PRO HD2 1 1
7 717 1 1 3 PRO HD3 H 0.833 -5.505 -4.332 1.00 . A A . 3 PRO HD3 1 1
7 718 1 1 3 PRO HG2 H 2.183 -6.743 -6.688 1.00 . A A . 3 PRO HG2 1 1
7 719 1 1 3 PRO HG3 H 0.790 -7.319 -5.753 1.00 . A A . 3 PRO HG3 1 1
7 720 1 1 3 PRO N N 2.945 -5.421 -4.285 1.00 . A A . 3 PRO N 1 1
7 721 1 1 3 PRO O O 4.832 -6.593 -6.353 1.00 . A A . 3 PRO O 1 1
7 722 1 1 4 DTR C C 7.901 -5.184 -5.098 1.00 . A A . 4 DTR C 1 1
7 723 1 1 4 DTR CA C 7.356 -6.611 -5.188 1.00 . A A . 4 DTR CA 1 1
7 724 1 1 4 DTR CB C 8.328 -7.658 -4.642 1.00 . A A . 4 DTR CB 1 1
7 725 1 1 4 DTR CD1 C 7.046 -9.729 -5.494 1.00 . A A . 4 DTR CD1 1 1
7 726 1 1 4 DTR CD2 C 7.829 -9.971 -3.436 1.00 . A A . 4 DTR CD2 1 1
7 727 1 1 4 DTR CE2 C 7.171 -11.138 -3.767 1.00 . A A . 4 DTR CE2 1 1
7 728 1 1 4 DTR CE3 C 8.443 -9.807 -2.182 1.00 . A A . 4 DTR CE3 1 1
7 729 1 1 4 DTR CG C 7.742 -9.069 -4.559 1.00 . A A . 4 DTR CG 1 1
7 730 1 1 4 DTR CH2 C 7.669 -12.089 -1.643 1.00 . A A . 4 DTR CH2 1 1
7 731 1 1 4 DTR CZ2 C 7.064 -12.231 -2.898 1.00 . A A . 4 DTR CZ2 1 1
7 732 1 1 4 DTR CZ3 C 8.328 -10.908 -1.325 1.00 . A A . 4 DTR CZ3 1 1
7 733 1 1 4 DTR H H 6.168 -6.693 -3.479 1.00 . A A . 4 DTR H 1 1
7 734 1 1 4 DTR HA H 7.161 -6.870 -6.228 1.00 . A A . 4 DTR HA 1 1
7 735 1 1 4 DTR HB2 H 8.656 -7.352 -3.649 1.00 . A A . 4 DTR HB2 1 1
7 736 1 1 4 DTR HB3 H 9.215 -7.681 -5.277 1.00 . A A . 4 DTR HB3 1 1
7 737 1 1 4 DTR HD1 H 6.800 -9.325 -6.476 1.00 . A A . 4 DTR HD1 1 1
7 738 1 1 4 DTR HE1 H 6.110 -11.725 -5.623 1.00 . A A . 4 DTR HE1 1 1
7 739 1 1 4 DTR HE3 H 8.969 -8.895 -1.897 1.00 . A A . 4 DTR HE3 1 1
7 740 1 1 4 DTR HH2 H 7.623 -12.903 -0.919 1.00 . A A . 4 DTR HH2 1 1
7 741 1 1 4 DTR HZ2 H 6.539 -13.142 -3.183 1.00 . A A . 4 DTR HZ2 1 1
7 742 1 1 4 DTR HZ3 H 8.787 -10.833 -0.339 1.00 . A A . 4 DTR HZ3 1 1
7 743 1 1 4 DTR N N 6.090 -6.654 -4.475 1.00 . A A . 4 DTR N 1 1
7 744 1 1 4 DTR NE1 N 6.680 -10.986 -5.058 1.00 . A A . 4 DTR NE1 1 1
7 745 1 1 4 DTR O O 9.105 -4.939 -5.177 1.00 . A A . 4 DTR O 1 1
7 746 1 1 5 ASP C C 6.694 -2.196 -3.596 1.00 . A A . 5 ASP C 1 1
7 747 1 1 5 ASP CA C 7.340 -2.832 -4.823 1.00 . A A . 5 ASP CA 1 1
7 748 1 1 5 ASP CB C 6.917 -2.079 -6.085 1.00 . A A . 5 ASP CB 1 1
7 749 1 1 5 ASP CG C 7.848 -2.336 -7.253 1.00 . A A . 5 ASP CG 1 1
7 750 1 1 5 ASP H H 6.037 -4.499 -4.872 1.00 . A A . 5 ASP H 1 1
7 751 1 1 5 ASP HA H 8.413 -2.770 -4.721 1.00 . A A . 5 ASP HA 1 1
7 752 1 1 5 ASP HB2 H 5.922 -2.393 -6.367 1.00 . A A . 5 ASP HB2 1 1
7 753 1 1 5 ASP HB3 H 6.910 -1.019 -5.879 1.00 . A A . 5 ASP HB3 1 1
7 754 1 1 5 ASP N N 6.981 -4.241 -4.928 1.00 . A A . 5 ASP N 1 1
7 755 1 1 5 ASP O O 5.684 -1.498 -3.687 1.00 . A A . 5 ASP O 1 1
7 756 1 1 5 ASP OD1 O 8.997 -2.765 -7.013 1.00 . A A . 5 ASP OD1 1 1
7 757 1 1 5 ASP OD2 O 7.429 -2.110 -8.407 1.00 . A A . 5 ASP OD2 1 1
7 758 1 1 6 PRO C C 6.983 -0.397 -1.043 1.00 . A A . 6 PRO C 1 1
7 759 1 1 6 PRO CA C 6.787 -1.906 -1.151 1.00 . A A . 6 PRO CA 1 1
7 760 1 1 6 PRO CB C 7.632 -2.630 -0.099 1.00 . A A . 6 PRO CB 1 1
7 761 1 1 6 PRO CD C 8.495 -3.267 -2.236 1.00 . A A . 6 PRO CD 1 1
7 762 1 1 6 PRO CG C 8.889 -2.996 -0.810 1.00 . A A . 6 PRO CG 1 1
7 763 1 1 6 PRO HA H 5.744 -2.144 -1.003 1.00 . A A . 6 PRO HA 1 1
7 764 1 1 6 PRO HB2 H 7.825 -1.966 0.731 1.00 . A A . 6 PRO HB2 1 1
7 765 1 1 6 PRO HB3 H 7.106 -3.507 0.248 1.00 . A A . 6 PRO HB3 1 1
7 766 1 1 6 PRO HD2 H 9.280 -2.957 -2.910 1.00 . A A . 6 PRO HD2 1 1
7 767 1 1 6 PRO HD3 H 8.271 -4.315 -2.372 1.00 . A A . 6 PRO HD3 1 1
7 768 1 1 6 PRO HG2 H 9.589 -2.175 -0.764 1.00 . A A . 6 PRO HG2 1 1
7 769 1 1 6 PRO HG3 H 9.318 -3.881 -0.365 1.00 . A A . 6 PRO HG3 1 1
7 770 1 1 6 PRO N N 7.288 -2.444 -2.419 1.00 . A A . 6 PRO N 1 1
7 771 1 1 6 PRO O O 6.481 0.239 -0.117 1.00 . A A . 6 PRO O 1 1
7 772 1 1 7 TRP C C 7.248 2.279 -3.167 1.00 . A A . 7 TRP C 1 1
7 773 1 1 7 TRP CA C 7.975 1.604 -2.009 1.00 . A A . 7 TRP CA 1 1
7 774 1 1 7 TRP CB C 9.478 1.869 -2.109 1.00 . A A . 7 TRP CB 1 1
7 775 1 1 7 TRP CD1 C 10.158 4.331 -1.904 1.00 . A A . 7 TRP CD1 1 1
7 776 1 1 7 TRP CD2 C 10.162 3.210 0.035 1.00 . A A . 7 TRP CD2 1 1
7 777 1 1 7 TRP CE2 C 10.552 4.541 0.284 1.00 . A A . 7 TRP CE2 1 1
7 778 1 1 7 TRP CE3 C 10.091 2.317 1.107 1.00 . A A . 7 TRP CE3 1 1
7 779 1 1 7 TRP CG C 9.915 3.098 -1.371 1.00 . A A . 7 TRP CG 1 1
7 780 1 1 7 TRP CH2 C 10.791 4.100 2.592 1.00 . A A . 7 TRP CH2 1 1
7 781 1 1 7 TRP CZ2 C 10.869 4.996 1.561 1.00 . A A . 7 TRP CZ2 1 1
7 782 1 1 7 TRP CZ3 C 10.407 2.771 2.374 1.00 . A A . 7 TRP CZ3 1 1
7 783 1 1 7 TRP H H 8.087 -0.391 -2.709 1.00 . A A . 7 TRP H 1 1
7 784 1 1 7 TRP HA H 7.607 2.015 -1.080 1.00 . A A . 7 TRP HA 1 1
7 785 1 1 7 TRP HB2 H 10.014 1.026 -1.700 1.00 . A A . 7 TRP HB2 1 1
7 786 1 1 7 TRP HB3 H 9.745 1.991 -3.149 1.00 . A A . 7 TRP HB3 1 1
7 787 1 1 7 TRP HD1 H 10.061 4.571 -2.952 1.00 . A A . 7 TRP HD1 1 1
7 788 1 1 7 TRP HE1 H 10.770 6.148 -1.046 1.00 . A A . 7 TRP HE1 1 1
7 789 1 1 7 TRP HE3 H 9.797 1.288 0.959 1.00 . A A . 7 TRP HE3 1 1
7 790 1 1 7 TRP HH2 H 11.028 4.411 3.598 1.00 . A A . 7 TRP HH2 1 1
7 791 1 1 7 TRP HZ2 H 11.166 6.018 1.746 1.00 . A A . 7 TRP HZ2 1 1
7 792 1 1 7 TRP HZ3 H 10.358 2.095 3.215 1.00 . A A . 7 TRP HZ3 1 1
7 793 1 1 7 TRP N N 7.714 0.169 -1.997 1.00 . A A . 7 TRP N 1 1
7 794 1 1 7 TRP NE1 N 10.542 5.204 -0.914 1.00 . A A . 7 TRP NE1 1 1
7 795 1 1 7 TRP O O 7.553 3.418 -3.525 1.00 . A A . 7 TRP O 1 1
7 796 1 1 8 CYS C C 4.690 3.312 -4.434 1.00 . A A . 8 CYS C 1 1
7 797 1 1 8 CYS CA C 5.515 2.103 -4.867 1.00 . A A . 8 CYS CA 1 1
7 798 1 1 8 CYS CB C 4.596 1.022 -5.439 1.00 . A A . 8 CYS CB 1 1
7 799 1 1 8 CYS H H 6.089 0.670 -3.419 1.00 . A A . 8 CYS H 1 1
7 800 1 1 8 CYS HA H 6.211 2.413 -5.632 1.00 . A A . 8 CYS HA 1 1
7 801 1 1 8 CYS HB2 H 4.199 1.362 -6.384 1.00 . A A . 8 CYS HB2 1 1
7 802 1 1 8 CYS HB3 H 5.168 0.120 -5.598 1.00 . A A . 8 CYS HB3 1 1
7 803 1 1 8 CYS N N 6.286 1.572 -3.749 1.00 . A A . 8 CYS N 1 1
7 804 1 1 8 CYS O O 4.523 4.266 -5.194 1.00 . A A . 8 CYS O 1 1
7 805 1 1 8 CYS SG S 3.184 0.603 -4.366 1.00 . A A . 8 CYS SG 1 1
8 806 1 1 1 GLY C C 1.727 -1.442 -2.164 1.00 . A A . 1 GLY C 1 1
8 807 1 1 1 GLY CA C 2.032 -0.295 -1.220 1.00 . A A . 1 GLY CA 1 1
8 808 1 1 1 GLY H1 H 0.394 -0.036 0.097 1.00 . A A . 1 GLY H1 1 1
8 809 1 1 1 GLY HA2 H 2.612 0.447 -1.748 1.00 . A A . 1 GLY HA2 1 1
8 810 1 1 1 GLY HA3 H 2.615 -0.671 -0.392 1.00 . A A . 1 GLY HA3 1 1
8 811 1 1 1 GLY N N 0.830 0.331 -0.701 1.00 . A A . 1 GLY N 1 1
8 812 1 1 1 GLY O O 0.610 -1.961 -2.181 1.00 . A A . 1 GLY O 1 1
8 813 1 1 2 CYS C C 3.404 -4.132 -3.508 1.00 . A A . 2 CYS C 1 1
8 814 1 1 2 CYS CA C 2.554 -2.929 -3.904 1.00 . A A . 2 CYS CA 1 1
8 815 1 1 2 CYS CB C 2.930 -2.466 -5.313 1.00 . A A . 2 CYS CB 1 1
8 816 1 1 2 CYS H H 3.588 -1.384 -2.892 1.00 . A A . 2 CYS H 1 1
8 817 1 1 2 CYS HA H 1.514 -3.220 -3.897 1.00 . A A . 2 CYS HA 1 1
8 818 1 1 2 CYS HB2 H 4.006 -2.391 -5.384 1.00 . A A . 2 CYS HB2 1 1
8 819 1 1 2 CYS HB3 H 2.578 -3.193 -6.029 1.00 . A A . 2 CYS HB3 1 1
8 820 1 1 2 CYS N N 2.720 -1.837 -2.952 1.00 . A A . 2 CYS N 1 1
8 821 1 1 2 CYS O O 4.420 -4.007 -2.823 1.00 . A A . 2 CYS O 1 1
8 822 1 1 2 CYS SG S 2.233 -0.848 -5.776 1.00 . A A . 2 CYS SG 1 1
8 823 1 1 3 PRO C C 5.026 -6.670 -4.381 1.00 . A A . 3 PRO C 1 1
8 824 1 1 3 PRO CA C 3.690 -6.575 -3.652 1.00 . A A . 3 PRO CA 1 1
8 825 1 1 3 PRO CB C 2.729 -7.655 -4.155 1.00 . A A . 3 PRO CB 1 1
8 826 1 1 3 PRO CD C 1.780 -5.549 -4.769 1.00 . A A . 3 PRO CD 1 1
8 827 1 1 3 PRO CG C 1.918 -6.981 -5.207 1.00 . A A . 3 PRO CG 1 1
8 828 1 1 3 PRO HA H 3.850 -6.698 -2.591 1.00 . A A . 3 PRO HA 1 1
8 829 1 1 3 PRO HB2 H 3.294 -8.483 -4.560 1.00 . A A . 3 PRO HB2 1 1
8 830 1 1 3 PRO HB3 H 2.111 -8.000 -3.339 1.00 . A A . 3 PRO HB3 1 1
8 831 1 1 3 PRO HD2 H 1.770 -4.892 -5.626 1.00 . A A . 3 PRO HD2 1 1
8 832 1 1 3 PRO HD3 H 0.883 -5.419 -4.181 1.00 . A A . 3 PRO HD3 1 1
8 833 1 1 3 PRO HG2 H 2.429 -7.036 -6.156 1.00 . A A . 3 PRO HG2 1 1
8 834 1 1 3 PRO HG3 H 0.946 -7.447 -5.275 1.00 . A A . 3 PRO HG3 1 1
8 835 1 1 3 PRO N N 2.982 -5.326 -3.948 1.00 . A A . 3 PRO N 1 1
8 836 1 1 3 PRO O O 5.037 -6.828 -5.601 1.00 . A A . 3 PRO O 1 1
8 837 1 1 4 DTR C C 7.996 -5.228 -4.312 1.00 . A A . 4 DTR C 1 1
8 838 1 1 4 DTR CA C 7.439 -6.650 -4.214 1.00 . A A . 4 DTR CA 1 1
8 839 1 1 4 DTR CB C 8.340 -7.590 -3.411 1.00 . A A . 4 DTR CB 1 1
8 840 1 1 4 DTR CD1 C 6.894 -9.486 -2.422 1.00 . A A . 4 DTR CD1 1 1
8 841 1 1 4 DTR CD2 C 8.173 -10.148 -4.106 1.00 . A A . 4 DTR CD2 1 1
8 842 1 1 4 DTR CE2 C 7.458 -11.247 -3.673 1.00 . A A . 4 DTR CE2 1 1
8 843 1 1 4 DTR CE3 C 9.084 -10.241 -5.173 1.00 . A A . 4 DTR CE3 1 1
8 844 1 1 4 DTR CG C 7.800 -9.017 -3.291 1.00 . A A . 4 DTR CG 1 1
8 845 1 1 4 DTR CH2 C 8.482 -12.632 -5.316 1.00 . A A . 4 DTR CH2 1 1
8 846 1 1 4 DTR CZ2 C 7.580 -12.517 -4.251 1.00 . A A . 4 DTR CZ2 1 1
8 847 1 1 4 DTR CZ3 C 9.194 -11.516 -5.739 1.00 . A A . 4 DTR CZ3 1 1
8 848 1 1 4 DTR H H 6.095 -6.444 -2.636 1.00 . A A . 4 DTR H 1 1
8 849 1 1 4 DTR HA H 7.339 -7.080 -5.210 1.00 . A A . 4 DTR HA 1 1
8 850 1 1 4 DTR HB2 H 8.477 -7.179 -2.410 1.00 . A A . 4 DTR HB2 1 1
8 851 1 1 4 DTR HB3 H 9.323 -7.623 -3.879 1.00 . A A . 4 DTR HB3 1 1
8 852 1 1 4 DTR HD1 H 6.406 -8.881 -1.658 1.00 . A A . 4 DTR HD1 1 1
8 853 1 1 4 DTR HE1 H 5.965 -11.454 -2.048 1.00 . A A . 4 DTR HE1 1 1
8 854 1 1 4 DTR HE3 H 9.660 -9.388 -5.533 1.00 . A A . 4 DTR HE3 1 1
8 855 1 1 4 DTR HH2 H 8.624 -13.593 -5.810 1.00 . A A . 4 DTR HH2 1 1
8 856 1 1 4 DTR HZ2 H 7.004 -13.369 -3.891 1.00 . A A . 4 DTR HZ2 1 1
8 857 1 1 4 DTR HZ3 H 9.887 -11.643 -6.571 1.00 . A A . 4 DTR HZ3 1 1
8 858 1 1 4 DTR N N 6.112 -6.573 -3.627 1.00 . A A . 4 DTR N 1 1
8 859 1 1 4 DTR NE1 N 6.656 -10.831 -2.617 1.00 . A A . 4 DTR NE1 1 1
8 860 1 1 4 DTR O O 9.206 -5.000 -4.316 1.00 . A A . 4 DTR O 1 1
8 861 1 1 5 ASP C C 6.698 -2.030 -3.455 1.00 . A A . 5 ASP C 1 1
8 862 1 1 5 ASP CA C 7.449 -2.863 -4.489 1.00 . A A . 5 ASP CA 1 1
8 863 1 1 5 ASP CB C 7.162 -2.335 -5.895 1.00 . A A . 5 ASP CB 1 1
8 864 1 1 5 ASP CG C 8.117 -2.895 -6.931 1.00 . A A . 5 ASP CG 1 1
8 865 1 1 5 ASP H H 6.130 -4.515 -4.383 1.00 . A A . 5 ASP H 1 1
8 866 1 1 5 ASP HA H 8.508 -2.785 -4.295 1.00 . A A . 5 ASP HA 1 1
8 867 1 1 5 ASP HB2 H 6.155 -2.608 -6.176 1.00 . A A . 5 ASP HB2 1 1
8 868 1 1 5 ASP HB3 H 7.251 -1.258 -5.893 1.00 . A A . 5 ASP HB3 1 1
8 869 1 1 5 ASP N N 7.079 -4.270 -4.391 1.00 . A A . 5 ASP N 1 1
8 870 1 1 5 ASP O O 5.713 -1.358 -3.761 1.00 . A A . 5 ASP O 1 1
8 871 1 1 5 ASP OD1 O 9.199 -2.301 -7.123 1.00 . A A . 5 ASP OD1 1 1
8 872 1 1 5 ASP OD2 O 7.783 -3.927 -7.548 1.00 . A A . 5 ASP OD2 1 1
8 873 1 1 6 PRO C C 6.767 0.174 -1.225 1.00 . A A . 6 PRO C 1 1
8 874 1 1 6 PRO CA C 6.558 -1.331 -1.096 1.00 . A A . 6 PRO CA 1 1
8 875 1 1 6 PRO CB C 7.285 -1.868 0.139 1.00 . A A . 6 PRO CB 1 1
8 876 1 1 6 PRO CD C 8.341 -2.856 -1.764 1.00 . A A . 6 PRO CD 1 1
8 877 1 1 6 PRO CG C 8.599 -2.348 -0.373 1.00 . A A . 6 PRO CG 1 1
8 878 1 1 6 PRO HA H 5.502 -1.541 -1.014 1.00 . A A . 6 PRO HA 1 1
8 879 1 1 6 PRO HB2 H 7.408 -1.073 0.861 1.00 . A A . 6 PRO HB2 1 1
8 880 1 1 6 PRO HB3 H 6.714 -2.674 0.576 1.00 . A A . 6 PRO HB3 1 1
8 881 1 1 6 PRO HD2 H 9.192 -2.664 -2.401 1.00 . A A . 6 PRO HD2 1 1
8 882 1 1 6 PRO HD3 H 8.113 -3.912 -1.745 1.00 . A A . 6 PRO HD3 1 1
8 883 1 1 6 PRO HG2 H 9.304 -1.531 -0.397 1.00 . A A . 6 PRO HG2 1 1
8 884 1 1 6 PRO HG3 H 8.968 -3.146 0.254 1.00 . A A . 6 PRO HG3 1 1
8 885 1 1 6 PRO N N 7.171 -2.076 -2.201 1.00 . A A . 6 PRO N 1 1
8 886 1 1 6 PRO O O 6.188 0.956 -0.472 1.00 . A A . 6 PRO O 1 1
8 887 1 1 7 TRP C C 7.276 2.455 -3.729 1.00 . A A . 7 TRP C 1 1
8 888 1 1 7 TRP CA C 7.880 1.984 -2.411 1.00 . A A . 7 TRP CA 1 1
8 889 1 1 7 TRP CB C 9.390 2.227 -2.411 1.00 . A A . 7 TRP CB 1 1
8 890 1 1 7 TRP CD1 C 10.935 1.293 -0.592 1.00 . A A . 7 TRP CD1 1 1
8 891 1 1 7 TRP CD2 C 9.714 3.057 0.053 1.00 . A A . 7 TRP CD2 1 1
8 892 1 1 7 TRP CE2 C 10.514 2.643 1.137 1.00 . A A . 7 TRP CE2 1 1
8 893 1 1 7 TRP CE3 C 8.863 4.152 0.224 1.00 . A A . 7 TRP CE3 1 1
8 894 1 1 7 TRP CG C 9.999 2.180 -1.043 1.00 . A A . 7 TRP CG 1 1
8 895 1 1 7 TRP CH2 C 9.641 4.355 2.511 1.00 . A A . 7 TRP CH2 1 1
8 896 1 1 7 TRP CZ2 C 10.484 3.286 2.371 1.00 . A A . 7 TRP CZ2 1 1
8 897 1 1 7 TRP CZ3 C 8.834 4.788 1.450 1.00 . A A . 7 TRP CZ3 1 1
8 898 1 1 7 TRP H H 8.027 -0.101 -2.752 1.00 . A A . 7 TRP H 1 1
8 899 1 1 7 TRP HA H 7.434 2.545 -1.603 1.00 . A A . 7 TRP HA 1 1
8 900 1 1 7 TRP HB2 H 9.870 1.473 -3.016 1.00 . A A . 7 TRP HB2 1 1
8 901 1 1 7 TRP HB3 H 9.590 3.202 -2.832 1.00 . A A . 7 TRP HB3 1 1
8 902 1 1 7 TRP HD1 H 11.356 0.499 -1.189 1.00 . A A . 7 TRP HD1 1 1
8 903 1 1 7 TRP HE1 H 11.895 1.069 1.263 1.00 . A A . 7 TRP HE1 1 1
8 904 1 1 7 TRP HE3 H 8.233 4.501 -0.581 1.00 . A A . 7 TRP HE3 1 1
8 905 1 1 7 TRP HH2 H 9.587 4.882 3.450 1.00 . A A . 7 TRP HH2 1 1
8 906 1 1 7 TRP HZ2 H 11.101 2.964 3.198 1.00 . A A . 7 TRP HZ2 1 1
8 907 1 1 7 TRP HZ3 H 8.182 5.636 1.601 1.00 . A A . 7 TRP HZ3 1 1
8 908 1 1 7 TRP N N 7.596 0.571 -2.184 1.00 . A A . 7 TRP N 1 1
8 909 1 1 7 TRP NE1 N 11.248 1.565 0.718 1.00 . A A . 7 TRP NE1 1 1
8 910 1 1 7 TRP O O 7.631 3.518 -4.241 1.00 . A A . 7 TRP O 1 1
8 911 1 1 8 CYS C C 4.865 3.257 -5.389 1.00 . A A . 8 CYS C 1 1
8 912 1 1 8 CYS CA C 5.709 1.995 -5.534 1.00 . A A . 8 CYS CA 1 1
8 913 1 1 8 CYS CB C 4.833 0.833 -6.004 1.00 . A A . 8 CYS CB 1 1
8 914 1 1 8 CYS H H 6.122 0.825 -3.819 1.00 . A A . 8 CYS H 1 1
8 915 1 1 8 CYS HA H 6.479 2.174 -6.270 1.00 . A A . 8 CYS HA 1 1
8 916 1 1 8 CYS HB2 H 4.534 1.008 -7.027 1.00 . A A . 8 CYS HB2 1 1
8 917 1 1 8 CYS HB3 H 5.404 -0.083 -5.953 1.00 . A A . 8 CYS HB3 1 1
8 918 1 1 8 CYS N N 6.363 1.659 -4.275 1.00 . A A . 8 CYS N 1 1
8 919 1 1 8 CYS O O 5.121 4.266 -6.047 1.00 . A A . 8 CYS O 1 1
8 920 1 1 8 CYS SG S 3.319 0.598 -5.018 1.00 . A A . 8 CYS SG 1 1
9 921 1 1 1 GLY C C 1.643 -1.273 -2.256 1.00 . A A . 1 GLY C 1 1
9 922 1 1 1 GLY CA C 1.988 -0.185 -1.259 1.00 . A A . 1 GLY CA 1 1
9 923 1 1 1 GLY H1 H 0.241 0.021 -0.080 1.00 . A A . 1 GLY H1 1 1
9 924 1 1 1 GLY HA2 H 1.834 0.777 -1.724 1.00 . A A . 1 GLY HA2 1 1
9 925 1 1 1 GLY HA3 H 3.028 -0.280 -0.986 1.00 . A A . 1 GLY HA3 1 1
9 926 1 1 1 GLY N N 1.179 -0.259 -0.056 1.00 . A A . 1 GLY N 1 1
9 927 1 1 1 GLY O O 0.491 -1.698 -2.350 1.00 . A A . 1 GLY O 1 1
9 928 1 1 2 CYS C C 3.165 -4.051 -3.604 1.00 . A A . 2 CYS C 1 1
9 929 1 1 2 CYS CA C 2.441 -2.769 -4.003 1.00 . A A . 2 CYS CA 1 1
9 930 1 1 2 CYS CB C 2.934 -2.297 -5.373 1.00 . A A . 2 CYS CB 1 1
9 931 1 1 2 CYS H H 3.540 -1.347 -2.885 1.00 . A A . 2 CYS H 1 1
9 932 1 1 2 CYS HA H 1.382 -2.971 -4.062 1.00 . A A . 2 CYS HA 1 1
9 933 1 1 2 CYS HB2 H 4.014 -2.311 -5.382 1.00 . A A . 2 CYS HB2 1 1
9 934 1 1 2 CYS HB3 H 2.564 -2.970 -6.132 1.00 . A A . 2 CYS HB3 1 1
9 935 1 1 2 CYS N N 2.643 -1.725 -3.006 1.00 . A A . 2 CYS N 1 1
9 936 1 1 2 CYS O O 4.147 -4.033 -2.861 1.00 . A A . 2 CYS O 1 1
9 937 1 1 2 CYS SG S 2.399 -0.613 -5.815 1.00 . A A . 2 CYS SG 1 1
9 938 1 1 3 PRO C C 4.618 -6.689 -4.477 1.00 . A A . 3 PRO C 1 1
9 939 1 1 3 PRO CA C 3.255 -6.504 -3.818 1.00 . A A . 3 PRO CA 1 1
9 940 1 1 3 PRO CB C 2.238 -7.484 -4.410 1.00 . A A . 3 PRO CB 1 1
9 941 1 1 3 PRO CD C 1.503 -5.287 -5.000 1.00 . A A . 3 PRO CD 1 1
9 942 1 1 3 PRO CG C 1.546 -6.712 -5.480 1.00 . A A . 3 PRO CG 1 1
9 943 1 1 3 PRO HA H 3.344 -6.673 -2.755 1.00 . A A . 3 PRO HA 1 1
9 944 1 1 3 PRO HB2 H 2.755 -8.343 -4.813 1.00 . A A . 3 PRO HB2 1 1
9 945 1 1 3 PRO HB3 H 1.548 -7.799 -3.642 1.00 . A A . 3 PRO HB3 1 1
9 946 1 1 3 PRO HD2 H 1.596 -4.606 -5.832 1.00 . A A . 3 PRO HD2 1 1
9 947 1 1 3 PRO HD3 H 0.588 -5.100 -4.457 1.00 . A A . 3 PRO HD3 1 1
9 948 1 1 3 PRO HG2 H 2.104 -6.780 -6.401 1.00 . A A . 3 PRO HG2 1 1
9 949 1 1 3 PRO HG3 H 0.545 -7.091 -5.616 1.00 . A A . 3 PRO HG3 1 1
9 950 1 1 3 PRO N N 2.670 -5.191 -4.108 1.00 . A A . 3 PRO N 1 1
9 951 1 1 3 PRO O O 4.685 -6.812 -5.699 1.00 . A A . 3 PRO O 1 1
9 952 1 1 4 DTR C C 7.688 -5.505 -4.198 1.00 . A A . 4 DTR C 1 1
9 953 1 1 4 DTR CA C 7.011 -6.878 -4.179 1.00 . A A . 4 DTR CA 1 1
9 954 1 1 4 DTR CB C 7.784 -7.914 -3.361 1.00 . A A . 4 DTR CB 1 1
9 955 1 1 4 DTR CD1 C 6.236 -9.944 -3.739 1.00 . A A . 4 DTR CD1 1 1
9 956 1 1 4 DTR CD2 C 8.376 -10.400 -4.086 1.00 . A A . 4 DTR CD2 1 1
9 957 1 1 4 DTR CE2 C 7.664 -11.559 -4.320 1.00 . A A . 4 DTR CE2 1 1
9 958 1 1 4 DTR CE3 C 9.775 -10.359 -4.222 1.00 . A A . 4 DTR CE3 1 1
9 959 1 1 4 DTR CG C 7.443 -9.364 -3.712 1.00 . A A . 4 DTR CG 1 1
9 960 1 1 4 DTR CH2 C 9.657 -12.746 -4.846 1.00 . A A . 4 DTR CH2 1 1
9 961 1 1 4 DTR CZ2 C 8.265 -12.763 -4.704 1.00 . A A . 4 DTR CZ2 1 1
9 962 1 1 4 DTR CZ3 C 10.360 -11.571 -4.607 1.00 . A A . 4 DTR CZ3 1 1
9 963 1 1 4 DTR H H 5.601 -6.607 -2.670 1.00 . A A . 4 DTR H 1 1
9 964 1 1 4 DTR HA H 6.932 -7.268 -5.193 1.00 . A A . 4 DTR HA 1 1
9 965 1 1 4 DTR HB2 H 7.583 -7.750 -2.302 1.00 . A A . 4 DTR HB2 1 1
9 966 1 1 4 DTR HB3 H 8.852 -7.756 -3.511 1.00 . A A . 4 DTR HB3 1 1
9 967 1 1 4 DTR HD1 H 5.303 -9.431 -3.504 1.00 . A A . 4 DTR HD1 1 1
9 968 1 1 4 DTR HE1 H 5.489 -11.969 -4.201 1.00 . A A . 4 DTR HE1 1 1
9 969 1 1 4 DTR HE3 H 10.359 -9.457 -4.043 1.00 . A A . 4 DTR HE3 1 1
9 970 1 1 4 DTR HH2 H 10.188 -13.651 -5.143 1.00 . A A . 4 DTR HH2 1 1
9 971 1 1 4 DTR HZ2 H 7.680 -13.665 -4.883 1.00 . A A . 4 DTR HZ2 1 1
9 972 1 1 4 DTR HZ3 H 11.443 -11.595 -4.727 1.00 . A A . 4 DTR HZ3 1 1
9 973 1 1 4 DTR N N 5.664 -6.707 -3.663 1.00 . A A . 4 DTR N 1 1
9 974 1 1 4 DTR NE1 N 6.321 -11.272 -4.102 1.00 . A A . 4 DTR NE1 1 1
9 975 1 1 4 DTR O O 8.911 -5.380 -4.129 1.00 . A A . 4 DTR O 1 1
9 976 1 1 5 ASP C C 6.612 -2.237 -3.303 1.00 . A A . 5 ASP C 1 1
9 977 1 1 5 ASP CA C 7.349 -3.099 -4.323 1.00 . A A . 5 ASP CA 1 1
9 978 1 1 5 ASP CB C 7.184 -2.506 -5.724 1.00 . A A . 5 ASP CB 1 1
9 979 1 1 5 ASP CG C 7.910 -3.312 -6.783 1.00 . A A . 5 ASP CG 1 1
9 980 1 1 5 ASP H H 5.894 -4.636 -4.345 1.00 . A A . 5 ASP H 1 1
9 981 1 1 5 ASP HA H 8.398 -3.116 -4.071 1.00 . A A . 5 ASP HA 1 1
9 982 1 1 5 ASP HB2 H 6.134 -2.479 -5.975 1.00 . A A . 5 ASP HB2 1 1
9 983 1 1 5 ASP HB3 H 7.577 -1.500 -5.730 1.00 . A A . 5 ASP HB3 1 1
9 984 1 1 5 ASP N N 6.859 -4.472 -4.294 1.00 . A A . 5 ASP N 1 1
9 985 1 1 5 ASP O O 5.705 -1.475 -3.637 1.00 . A A . 5 ASP O 1 1
9 986 1 1 5 ASP OD1 O 9.133 -3.517 -6.638 1.00 . A A . 5 ASP OD1 1 1
9 987 1 1 5 ASP OD2 O 7.254 -3.737 -7.758 1.00 . A A . 5 ASP OD2 1 1
9 988 1 1 6 PRO C C 6.739 -0.115 -0.997 1.00 . A A . 6 PRO C 1 1
9 989 1 1 6 PRO CA C 6.400 -1.600 -0.932 1.00 . A A . 6 PRO CA 1 1
9 990 1 1 6 PRO CB C 7.010 -2.234 0.321 1.00 . A A . 6 PRO CB 1 1
9 991 1 1 6 PRO CD C 8.085 -3.249 -1.557 1.00 . A A . 6 PRO CD 1 1
9 992 1 1 6 PRO CG C 8.307 -2.807 -0.137 1.00 . A A . 6 PRO CG 1 1
9 993 1 1 6 PRO HA H 5.327 -1.723 -0.913 1.00 . A A . 6 PRO HA 1 1
9 994 1 1 6 PRO HB2 H 7.158 -1.474 1.076 1.00 . A A . 6 PRO HB2 1 1
9 995 1 1 6 PRO HB3 H 6.351 -3.001 0.699 1.00 . A A . 6 PRO HB3 1 1
9 996 1 1 6 PRO HD2 H 8.983 -3.110 -2.140 1.00 . A A . 6 PRO HD2 1 1
9 997 1 1 6 PRO HD3 H 7.770 -4.282 -1.586 1.00 . A A . 6 PRO HD3 1 1
9 998 1 1 6 PRO HG2 H 9.077 -2.052 -0.095 1.00 . A A . 6 PRO HG2 1 1
9 999 1 1 6 PRO HG3 H 8.573 -3.652 0.481 1.00 . A A . 6 PRO HG3 1 1
9 1000 1 1 6 PRO N N 7.010 -2.360 -2.027 1.00 . A A . 6 PRO N 1 1
9 1001 1 1 6 PRO O O 6.186 0.691 -0.249 1.00 . A A . 6 PRO O 1 1
9 1002 1 1 7 TRP C C 7.576 2.189 -3.390 1.00 . A A . 7 TRP C 1 1
9 1003 1 1 7 TRP CA C 8.062 1.629 -2.058 1.00 . A A . 7 TRP CA 1 1
9 1004 1 1 7 TRP CB C 9.585 1.745 -1.968 1.00 . A A . 7 TRP CB 1 1
9 1005 1 1 7 TRP CD1 C 10.509 4.135 -2.012 1.00 . A A . 7 TRP CD1 1 1
9 1006 1 1 7 TRP CD2 C 10.094 3.346 0.043 1.00 . A A . 7 TRP CD2 1 1
9 1007 1 1 7 TRP CE2 C 10.594 4.658 0.157 1.00 . A A . 7 TRP CE2 1 1
9 1008 1 1 7 TRP CE3 C 9.760 2.649 1.207 1.00 . A A . 7 TRP CE3 1 1
9 1009 1 1 7 TRP CG C 10.047 3.032 -1.353 1.00 . A A . 7 TRP CG 1 1
9 1010 1 1 7 TRP CH2 C 10.433 4.577 2.513 1.00 . A A . 7 TRP CH2 1 1
9 1011 1 1 7 TRP CZ2 C 10.768 5.283 1.389 1.00 . A A . 7 TRP CZ2 1 1
9 1012 1 1 7 TRP CZ3 C 9.933 3.270 2.429 1.00 . A A . 7 TRP CZ3 1 1
9 1013 1 1 7 TRP H H 8.056 -0.449 -2.464 1.00 . A A . 7 TRP H 1 1
9 1014 1 1 7 TRP HA H 7.619 2.202 -1.257 1.00 . A A . 7 TRP HA 1 1
9 1015 1 1 7 TRP HB2 H 9.967 0.933 -1.368 1.00 . A A . 7 TRP HB2 1 1
9 1016 1 1 7 TRP HB3 H 10.003 1.681 -2.962 1.00 . A A . 7 TRP HB3 1 1
9 1017 1 1 7 TRP HD1 H 10.598 4.210 -3.085 1.00 . A A . 7 TRP HD1 1 1
9 1018 1 1 7 TRP HE1 H 11.194 6.003 -1.337 1.00 . A A . 7 TRP HE1 1 1
9 1019 1 1 7 TRP HE3 H 9.373 1.641 1.162 1.00 . A A . 7 TRP HE3 1 1
9 1020 1 1 7 TRP HH2 H 10.552 5.023 3.488 1.00 . A A . 7 TRP HH2 1 1
9 1021 1 1 7 TRP HZ2 H 11.151 6.290 1.471 1.00 . A A . 7 TRP HZ2 1 1
9 1022 1 1 7 TRP HZ3 H 9.681 2.747 3.339 1.00 . A A . 7 TRP HZ3 1 1
9 1023 1 1 7 TRP N N 7.650 0.240 -1.896 1.00 . A A . 7 TRP N 1 1
9 1024 1 1 7 TRP NE1 N 10.840 5.117 -1.110 1.00 . A A . 7 TRP NE1 1 1
9 1025 1 1 7 TRP O O 8.045 3.233 -3.845 1.00 . A A . 7 TRP O 1 1
9 1026 1 1 8 CYS C C 5.340 3.243 -5.151 1.00 . A A . 8 CYS C 1 1
9 1027 1 1 8 CYS CA C 6.082 1.917 -5.293 1.00 . A A . 8 CYS CA 1 1
9 1028 1 1 8 CYS CB C 5.138 0.848 -5.847 1.00 . A A . 8 CYS CB 1 1
9 1029 1 1 8 CYS H H 6.298 0.665 -3.599 1.00 . A A . 8 CYS H 1 1
9 1030 1 1 8 CYS HA H 6.904 2.050 -5.979 1.00 . A A . 8 CYS HA 1 1
9 1031 1 1 8 CYS HB2 H 4.910 1.080 -6.878 1.00 . A A . 8 CYS HB2 1 1
9 1032 1 1 8 CYS HB3 H 5.627 -0.113 -5.801 1.00 . A A . 8 CYS HB3 1 1
9 1033 1 1 8 CYS N N 6.632 1.490 -4.012 1.00 . A A . 8 CYS N 1 1
9 1034 1 1 8 CYS O O 5.007 3.663 -4.043 1.00 . A A . 8 CYS O 1 1
9 1035 1 1 8 CYS SG S 3.559 0.712 -4.949 1.00 . A A . 8 CYS SG 1 1
10 1036 1 1 1 GLY C C 1.596 -1.567 -2.330 1.00 . A A . 1 GLY C 1 1
10 1037 1 1 1 GLY CA C 1.855 -0.594 -1.197 1.00 . A A . 1 GLY CA 1 1
10 1038 1 1 1 GLY H1 H 1.671 -0.915 0.888 1.00 . A A . 1 GLY H1 1 1
10 1039 1 1 1 GLY HA2 H 1.003 0.062 -1.097 1.00 . A A . 1 GLY HA2 1 1
10 1040 1 1 1 GLY HA3 H 2.726 -0.002 -1.439 1.00 . A A . 1 GLY HA3 1 1
10 1041 1 1 1 GLY N N 2.082 -1.265 0.070 1.00 . A A . 1 GLY N 1 1
10 1042 1 1 1 GLY O O 0.463 -2.000 -2.539 1.00 . A A . 1 GLY O 1 1
10 1043 1 1 2 CYS C C 3.280 -4.135 -3.898 1.00 . A A . 2 CYS C 1 1
10 1044 1 1 2 CYS CA C 2.530 -2.837 -4.184 1.00 . A A . 2 CYS CA 1 1
10 1045 1 1 2 CYS CB C 3.071 -2.195 -5.464 1.00 . A A . 2 CYS CB 1 1
10 1046 1 1 2 CYS H H 3.527 -1.532 -2.849 1.00 . A A . 2 CYS H 1 1
10 1047 1 1 2 CYS HA H 1.484 -3.063 -4.319 1.00 . A A . 2 CYS HA 1 1
10 1048 1 1 2 CYS HB2 H 4.080 -1.854 -5.287 1.00 . A A . 2 CYS HB2 1 1
10 1049 1 1 2 CYS HB3 H 3.078 -2.933 -6.252 1.00 . A A . 2 CYS HB3 1 1
10 1050 1 1 2 CYS N N 2.649 -1.911 -3.065 1.00 . A A . 2 CYS N 1 1
10 1051 1 1 2 CYS O O 4.219 -4.176 -3.102 1.00 . A A . 2 CYS O 1 1
10 1052 1 1 2 CYS SG S 2.099 -0.769 -6.047 1.00 . A A . 2 CYS SG 1 1
10 1053 1 1 3 PRO C C 4.876 -6.604 -4.990 1.00 . A A . 3 PRO C 1 1
10 1054 1 1 3 PRO CA C 3.474 -6.541 -4.395 1.00 . A A . 3 PRO CA 1 1
10 1055 1 1 3 PRO CB C 2.528 -7.473 -5.156 1.00 . A A . 3 PRO CB 1 1
10 1056 1 1 3 PRO CD C 1.743 -5.245 -5.524 1.00 . A A . 3 PRO CD 1 1
10 1057 1 1 3 PRO CG C 1.866 -6.600 -6.165 1.00 . A A . 3 PRO CG 1 1
10 1058 1 1 3 PRO HA H 3.511 -6.833 -3.356 1.00 . A A . 3 PRO HA 1 1
10 1059 1 1 3 PRO HB2 H 3.097 -8.262 -5.627 1.00 . A A . 3 PRO HB2 1 1
10 1060 1 1 3 PRO HB3 H 1.810 -7.900 -4.472 1.00 . A A . 3 PRO HB3 1 1
10 1061 1 1 3 PRO HD2 H 1.856 -4.466 -6.263 1.00 . A A . 3 PRO HD2 1 1
10 1062 1 1 3 PRO HD3 H 0.794 -5.153 -5.017 1.00 . A A . 3 PRO HD3 1 1
10 1063 1 1 3 PRO HG2 H 2.475 -6.540 -7.055 1.00 . A A . 3 PRO HG2 1 1
10 1064 1 1 3 PRO HG3 H 0.888 -6.991 -6.404 1.00 . A A . 3 PRO HG3 1 1
10 1065 1 1 3 PRO N N 2.856 -5.221 -4.561 1.00 . A A . 3 PRO N 1 1
10 1066 1 1 3 PRO O O 5.011 -6.604 -6.213 1.00 . A A . 3 PRO O 1 1
10 1067 1 1 4 DTR C C 7.862 -5.319 -4.445 1.00 . A A . 4 DTR C 1 1
10 1068 1 1 4 DTR CA C 7.257 -6.718 -4.578 1.00 . A A . 4 DTR CA 1 1
10 1069 1 1 4 DTR CB C 8.039 -7.784 -3.808 1.00 . A A . 4 DTR CB 1 1
10 1070 1 1 4 DTR CD1 C 6.614 -9.631 -4.912 1.00 . A A . 4 DTR CD1 1 1
10 1071 1 1 4 DTR CD2 C 8.300 -10.425 -3.714 1.00 . A A . 4 DTR CD2 1 1
10 1072 1 1 4 DTR CE2 C 7.624 -11.506 -4.244 1.00 . A A . 4 DTR CE2 1 1
10 1073 1 1 4 DTR CE3 C 9.431 -10.597 -2.898 1.00 . A A . 4 DTR CE3 1 1
10 1074 1 1 4 DTR CG C 7.638 -9.220 -4.152 1.00 . A A . 4 DTR CG 1 1
10 1075 1 1 4 DTR CH2 C 9.129 -13.029 -3.206 1.00 . A A . 4 DTR CH2 1 1
10 1076 1 1 4 DTR CZ2 C 8.004 -12.834 -4.016 1.00 . A A . 4 DTR CZ2 1 1
10 1077 1 1 4 DTR CZ3 C 9.798 -11.930 -2.679 1.00 . A A . 4 DTR CZ3 1 1
10 1078 1 1 4 DTR H H 5.759 -6.654 -3.131 1.00 . A A . 4 DTR H 1 1
10 1079 1 1 4 DTR HA H 7.250 -7.023 -5.624 1.00 . A A . 4 DTR HA 1 1
10 1080 1 1 4 DTR HB2 H 7.897 -7.623 -2.740 1.00 . A A . 4 DTR HB2 1 1
10 1081 1 1 4 DTR HB3 H 9.103 -7.656 -4.011 1.00 . A A . 4 DTR HB3 1 1
10 1082 1 1 4 DTR HD1 H 5.906 -8.962 -5.402 1.00 . A A . 4 DTR HD1 1 1
10 1083 1 1 4 DTR HE1 H 5.835 -11.595 -5.549 1.00 . A A . 4 DTR HE1 1 1
10 1084 1 1 4 DTR HE3 H 9.981 -9.760 -2.467 1.00 . A A . 4 DTR HE3 1 1
10 1085 1 1 4 DTR HH2 H 9.478 -14.039 -2.988 1.00 . A A . 4 DTR HH2 1 1
10 1086 1 1 4 DTR HZ2 H 7.454 -13.671 -4.447 1.00 . A A . 4 DTR HZ2 1 1
10 1087 1 1 4 DTR HZ3 H 10.669 -12.120 -2.053 1.00 . A A . 4 DTR HZ3 1 1
10 1088 1 1 4 DTR N N 5.878 -6.655 -4.124 1.00 . A A . 4 DTR N 1 1
10 1089 1 1 4 DTR NE1 N 6.567 -11.007 -4.996 1.00 . A A . 4 DTR NE1 1 1
10 1090 1 1 4 DTR O O 9.073 -5.143 -4.304 1.00 . A A . 4 DTR O 1 1
10 1091 1 1 5 ASP C C 6.666 -2.229 -3.245 1.00 . A A . 5 ASP C 1 1
10 1092 1 1 5 ASP CA C 7.407 -2.929 -4.380 1.00 . A A . 5 ASP CA 1 1
10 1093 1 1 5 ASP CB C 7.163 -2.191 -5.697 1.00 . A A . 5 ASP CB 1 1
10 1094 1 1 5 ASP CG C 7.576 -3.010 -6.905 1.00 . A A . 5 ASP CG 1 1
10 1095 1 1 5 ASP H H 6.035 -4.526 -4.607 1.00 . A A . 5 ASP H 1 1
10 1096 1 1 5 ASP HA H 8.464 -2.919 -4.163 1.00 . A A . 5 ASP HA 1 1
10 1097 1 1 5 ASP HB2 H 6.110 -1.963 -5.785 1.00 . A A . 5 ASP HB2 1 1
10 1098 1 1 5 ASP HB3 H 7.728 -1.271 -5.697 1.00 . A A . 5 ASP HB3 1 1
10 1099 1 1 5 ASP N N 6.987 -4.321 -4.493 1.00 . A A . 5 ASP N 1 1
10 1100 1 1 5 ASP O O 5.683 -1.519 -3.458 1.00 . A A . 5 ASP O 1 1
10 1101 1 1 5 ASP OD1 O 8.552 -3.781 -6.792 1.00 . A A . 5 ASP OD1 1 1
10 1102 1 1 5 ASP OD2 O 6.925 -2.879 -7.962 1.00 . A A . 5 ASP OD2 1 1
10 1103 1 1 6 PRO C C 6.760 -0.321 -0.758 1.00 . A A . 6 PRO C 1 1
10 1104 1 1 6 PRO CA C 6.545 -1.829 -0.817 1.00 . A A . 6 PRO CA 1 1
10 1105 1 1 6 PRO CB C 7.276 -2.519 0.337 1.00 . A A . 6 PRO CB 1 1
10 1106 1 1 6 PRO CD C 8.315 -3.266 -1.682 1.00 . A A . 6 PRO CD 1 1
10 1107 1 1 6 PRO CG C 8.585 -2.937 -0.240 1.00 . A A . 6 PRO CG 1 1
10 1108 1 1 6 PRO HA H 5.488 -2.044 -0.754 1.00 . A A . 6 PRO HA 1 1
10 1109 1 1 6 PRO HB2 H 7.408 -1.821 1.152 1.00 . A A . 6 PRO HB2 1 1
10 1110 1 1 6 PRO HB3 H 6.704 -3.371 0.674 1.00 . A A . 6 PRO HB3 1 1
10 1111 1 1 6 PRO HD2 H 9.164 -2.999 -2.295 1.00 . A A . 6 PRO HD2 1 1
10 1112 1 1 6 PRO HD3 H 8.083 -4.315 -1.793 1.00 . A A . 6 PRO HD3 1 1
10 1113 1 1 6 PRO HG2 H 9.294 -2.127 -0.166 1.00 . A A . 6 PRO HG2 1 1
10 1114 1 1 6 PRO HG3 H 8.954 -3.809 0.280 1.00 . A A . 6 PRO HG3 1 1
10 1115 1 1 6 PRO N N 7.147 -2.432 -2.010 1.00 . A A . 6 PRO N 1 1
10 1116 1 1 6 PRO O O 6.197 0.363 0.097 1.00 . A A . 6 PRO O 1 1
10 1117 1 1 7 TRP C C 6.851 2.349 -2.595 1.00 . A A . 7 TRP C 1 1
10 1118 1 1 7 TRP CA C 7.866 1.620 -1.723 1.00 . A A . 7 TRP CA 1 1
10 1119 1 1 7 TRP CB C 9.280 1.856 -2.258 1.00 . A A . 7 TRP CB 1 1
10 1120 1 1 7 TRP CD1 C 11.250 1.590 -0.640 1.00 . A A . 7 TRP CD1 1 1
10 1121 1 1 7 TRP CD2 C 10.288 3.613 -0.596 1.00 . A A . 7 TRP CD2 1 1
10 1122 1 1 7 TRP CE2 C 11.349 3.599 0.331 1.00 . A A . 7 TRP CE2 1 1
10 1123 1 1 7 TRP CE3 C 9.538 4.783 -0.744 1.00 . A A . 7 TRP CE3 1 1
10 1124 1 1 7 TRP CG C 10.243 2.319 -1.207 1.00 . A A . 7 TRP CG 1 1
10 1125 1 1 7 TRP CH2 C 10.923 5.840 0.941 1.00 . A A . 7 TRP CH2 1 1
10 1126 1 1 7 TRP CZ2 C 11.674 4.709 1.106 1.00 . A A . 7 TRP CZ2 1 1
10 1127 1 1 7 TRP CZ3 C 9.862 5.883 0.026 1.00 . A A . 7 TRP CZ3 1 1
10 1128 1 1 7 TRP H H 7.997 -0.406 -2.327 1.00 . A A . 7 TRP H 1 1
10 1129 1 1 7 TRP HA H 7.803 2.006 -0.716 1.00 . A A . 7 TRP HA 1 1
10 1130 1 1 7 TRP HB2 H 9.659 0.935 -2.675 1.00 . A A . 7 TRP HB2 1 1
10 1131 1 1 7 TRP HB3 H 9.242 2.609 -3.032 1.00 . A A . 7 TRP HB3 1 1
10 1132 1 1 7 TRP HD1 H 11.474 0.565 -0.892 1.00 . A A . 7 TRP HD1 1 1
10 1133 1 1 7 TRP HE1 H 12.681 2.055 0.825 1.00 . A A . 7 TRP HE1 1 1
10 1134 1 1 7 TRP HE3 H 8.717 4.835 -1.444 1.00 . A A . 7 TRP HE3 1 1
10 1135 1 1 7 TRP HH2 H 11.140 6.724 1.522 1.00 . A A . 7 TRP HH2 1 1
10 1136 1 1 7 TRP HZ2 H 12.489 4.692 1.815 1.00 . A A . 7 TRP HZ2 1 1
10 1137 1 1 7 TRP HZ3 H 9.294 6.796 -0.074 1.00 . A A . 7 TRP HZ3 1 1
10 1138 1 1 7 TRP N N 7.577 0.191 -1.671 1.00 . A A . 7 TRP N 1 1
10 1139 1 1 7 TRP NE1 N 11.918 2.354 0.286 1.00 . A A . 7 TRP NE1 1 1
10 1140 1 1 7 TRP O O 6.952 3.558 -2.805 1.00 . A A . 7 TRP O 1 1
10 1141 1 1 8 CYS C C 4.212 3.411 -3.293 1.00 . A A . 8 CYS C 1 1
10 1142 1 1 8 CYS CA C 4.836 2.184 -3.952 1.00 . A A . 8 CYS CA 1 1
10 1143 1 1 8 CYS CB C 3.754 1.145 -4.249 1.00 . A A . 8 CYS CB 1 1
10 1144 1 1 8 CYS H H 5.843 0.649 -2.898 1.00 . A A . 8 CYS H 1 1
10 1145 1 1 8 CYS HA H 5.298 2.485 -4.879 1.00 . A A . 8 CYS HA 1 1
10 1146 1 1 8 CYS HB2 H 4.012 0.217 -3.759 1.00 . A A . 8 CYS HB2 1 1
10 1147 1 1 8 CYS HB3 H 2.810 1.499 -3.861 1.00 . A A . 8 CYS HB3 1 1
10 1148 1 1 8 CYS N N 5.871 1.608 -3.101 1.00 . A A . 8 CYS N 1 1
10 1149 1 1 8 CYS O O 3.594 4.240 -3.962 1.00 . A A . 8 CYS O 1 1
10 1150 1 1 8 CYS SG S 3.529 0.791 -6.021 1.00 . A A . 8 CYS SG 1 1
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