NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
568216 |
2m6g   |
19132 | cing | 4-filtered-FRED | STAR | entry | full | 25 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2m6g
# This FRED archive file contains, for PDB entry <2m6g>:
#
# - 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_2m6g
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2m6g
_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 HA . 2 CYSS HA 1 2
2 1 2 1 1 3 PRO HA . 3 PROO HA 1 2
3 1 1 1 1 2 CYS HA . 2 CYSS HA 1 2
3 1 2 1 1 5 ASP H . 5 ASP H 1 2
4 1 1 1 1 3 PRO QB . 3 PROO QB 1 2
4 1 2 1 1 4 DTR H . 4 DTR H 1 2
5 1 1 1 1 3 PRO HA . 3 PROO 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 QB . 3 PROO QB 1 2
8 1 2 1 1 4 DTR HD1 . 4 DTR HD1 1 2
9 1 1 1 1 3 PRO QB . 3 PROO QB 1 2
9 1 2 1 1 4 DTR HE3 . 4 DTR HE3 1 2
10 1 1 1 1 4 DTR HA . 4 DTR HA 1 2
10 1 2 1 1 4 DTR HE3 . 4 DTR HE3 1 2
11 1 1 1 1 6 PRO HA . 6 PROO 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 PROO 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 PROO QG 1 2
13 1 2 1 1 7 TRP H . 7 TRP H 1 2
14 1 1 1 1 7 TRP H . 7 TRP H 1 2
14 1 2 1 1 7 TRP HE3 . 7 TRP HE3 1 2
15 1 1 1 1 6 PRO QG . 6 PROO QG 1 2
15 1 2 1 1 7 TRP HE3 . 7 TRP HE3 1 2
16 1 1 1 1 6 PRO HA . 6 PROO HA 1 2
16 1 2 1 1 8 CYS H . 8 CYSS H 1 2
17 1 1 1 1 7 TRP H . 7 TRP H 1 2
17 1 2 1 1 8 CYS H . 8 CYSS H 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 . . . . . . . 2.5 1 2
3 1 . . . . . . . 3.5 1 2
4 1 . . . . . . . 3.5 1 2
5 1 . . . . . . . 2.5 1 2
6 1 . . . . . . . 3.5 1 2
7 1 . . . . . . . 3.5 1 2
8 1 . . . . . . . 5.0 1 2
9 1 . . . . . . . 3.5 1 2
10 1 . . . . . . . 5.0 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 . . . . . . . 3.5 1 2
16 1 . . . . . . . 3.5 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
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 5 ASP O . 5 ASP O 1 3
1 1 2 1 1 8 CYS N . 8 CYSS 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
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 -150.0 -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 -89.99999 -30.0 . 5 ASP . . 5 ASP . . 5 ASP . . 5 ASP . 1 1
3 PHI 1 1 6 PRO C 1 1 7 TRP N 1 1 7 TRP CA 1 1 7 TRP C -150.0 -89.99999 . 7 TRP . . 7 TRP . . 7 TRP . . 7 TRP . 1 1
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 2.199 1.388 -1.845 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 3.060 -0.394 -1.066 1.00 . A A . 1 GLY HA2 1 1
1 5 1 1 1 GLY HA3 H 1.564 -0.638 -1.955 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 1.297 2.215 -1.712 1.00 . A A . 1 GLY O 1 1
1 8 1 1 2 CYS C C 4.237 2.779 -4.484 1.00 . A A . 2 CYS C 1 1
1 9 1 1 2 CYS CA C 3.569 2.943 -3.122 1.00 . A A . 2 CYS CA 1 1
1 10 1 1 2 CYS CB C 4.445 3.807 -2.213 1.00 . A A . 2 CYS CB 1 1
1 11 1 1 2 CYS H H 4.008 0.946 -2.575 1.00 . A A . 2 CYS H 1 1
1 12 1 1 2 CYS HA H 2.616 3.431 -3.258 1.00 . A A . 2 CYS HA 1 1
1 13 1 1 2 CYS HB2 H 4.977 3.167 -1.524 1.00 . A A . 2 CYS HB2 1 1
1 14 1 1 2 CYS HB3 H 5.159 4.346 -2.819 1.00 . A A . 2 CYS HB3 1 1
1 15 1 1 2 CYS N N 3.324 1.646 -2.503 1.00 . A A . 2 CYS N 1 1
1 16 1 1 2 CYS O O 4.870 1.763 -4.775 1.00 . A A . 2 CYS O 1 1
1 17 1 1 2 CYS SG S 3.519 5.029 -1.229 1.00 . A A . 2 CYS SG 1 1
1 18 1 1 3 PRO C C 1.836 4.820 -5.142 1.00 . A A . 3 PRO C 1 1
1 19 1 1 3 PRO CA C 3.343 5.015 -5.005 1.00 . A A . 3 PRO CA 1 1
1 20 1 1 3 PRO CB C 3.845 6.037 -6.028 1.00 . A A . 3 PRO CB 1 1
1 21 1 1 3 PRO CD C 4.654 3.852 -6.701 1.00 . A A . 3 PRO CD 1 1
1 22 1 1 3 PRO CG C 4.604 5.232 -7.026 1.00 . A A . 3 PRO CG 1 1
1 23 1 1 3 PRO HA H 3.571 5.360 -4.007 1.00 . A A . 3 PRO HA 1 1
1 24 1 1 3 PRO HB2 H 3.002 6.538 -6.483 1.00 . A A . 3 PRO HB2 1 1
1 25 1 1 3 PRO HB3 H 4.480 6.759 -5.539 1.00 . A A . 3 PRO HB3 1 1
1 26 1 1 3 PRO HD2 H 4.402 2.960 -7.255 1.00 . A A . 3 PRO HD2 1 1
1 27 1 1 3 PRO HD3 H 5.725 3.989 -6.671 1.00 . A A . 3 PRO HD3 1 1
1 28 1 1 3 PRO HG2 H 3.930 4.842 -7.773 1.00 . A A . 3 PRO HG2 1 1
1 29 1 1 3 PRO HG3 H 5.365 5.844 -7.488 1.00 . A A . 3 PRO HG3 1 1
1 30 1 1 3 PRO N N 4.094 3.801 -5.340 1.00 . A A . 3 PRO N 1 1
1 31 1 1 3 PRO O O 1.409 3.842 -5.754 1.00 . A A . 3 PRO O 1 1
1 32 1 1 4 DTR C C -0.945 6.289 -3.370 1.00 . A A . 4 DTR C 1 1
1 33 1 1 4 DTR CA C -0.376 5.661 -4.644 1.00 . A A . 4 DTR CA 1 1
1 34 1 1 4 DTR CB C -0.904 6.317 -5.921 1.00 . A A . 4 DTR CB 1 1
1 35 1 1 4 DTR CD1 C -0.601 4.512 -7.741 1.00 . A A . 4 DTR CD1 1 1
1 36 1 1 4 DTR CD2 C 0.598 6.338 -8.111 1.00 . A A . 4 DTR CD2 1 1
1 37 1 1 4 DTR CE2 C 0.849 5.462 -9.148 1.00 . A A . 4 DTR CE2 1 1
1 38 1 1 4 DTR CE3 C 1.214 7.600 -8.054 1.00 . A A . 4 DTR CE3 1 1
1 39 1 1 4 DTR CG C -0.340 5.714 -7.209 1.00 . A A . 4 DTR CG 1 1
1 40 1 1 4 DTR CH2 C 2.345 7.006 -10.168 1.00 . A A . 4 DTR CH2 1 1
1 41 1 1 4 DTR CZ2 C 1.720 5.754 -10.204 1.00 . A A . 4 DTR CZ2 1 1
1 42 1 1 4 DTR CZ3 C 2.081 7.877 -9.118 1.00 . A A . 4 DTR CZ3 1 1
1 43 1 1 4 DTR H H 1.429 6.536 -4.081 1.00 . A A . 4 DTR H 1 1
1 44 1 1 4 DTR HA H -0.647 4.607 -4.692 1.00 . A A . 4 DTR HA 1 1
1 45 1 1 4 DTR HB2 H -0.667 7.380 -5.896 1.00 . A A . 4 DTR HB2 1 1
1 46 1 1 4 DTR HB3 H -1.991 6.232 -5.938 1.00 . A A . 4 DTR HB3 1 1
1 47 1 1 4 DTR HD1 H -1.279 3.781 -7.301 1.00 . A A . 4 DTR HD1 1 1
1 48 1 1 4 DTR HE1 H 0.065 3.427 -9.545 1.00 . A A . 4 DTR HE1 1 1
1 49 1 1 4 DTR HE3 H 1.032 8.310 -7.247 1.00 . A A . 4 DTR HE3 1 1
1 50 1 1 4 DTR HH2 H 3.034 7.297 -10.960 1.00 . A A . 4 DTR HH2 1 1
1 51 1 1 4 DTR HZ2 H 1.902 5.044 -11.012 1.00 . A A . 4 DTR HZ2 1 1
1 52 1 1 4 DTR HZ3 H 2.585 8.844 -9.122 1.00 . A A . 4 DTR HZ3 1 1
1 53 1 1 4 DTR N N 1.073 5.744 -4.576 1.00 . A A . 4 DTR N 1 1
1 54 1 1 4 DTR NE1 N 0.097 4.316 -8.915 1.00 . A A . 4 DTR NE1 1 1
1 55 1 1 4 DTR O O -1.746 7.223 -3.405 1.00 . A A . 4 DTR O 1 1
1 56 1 1 5 ASP C C -0.777 7.752 -0.833 1.00 . A A . 5 ASP C 1 1
1 57 1 1 5 ASP CA C -0.957 6.240 -0.937 1.00 . A A . 5 ASP CA 1 1
1 58 1 1 5 ASP CB C -0.188 5.544 0.187 1.00 . A A . 5 ASP CB 1 1
1 59 1 1 5 ASP CG C -0.864 4.268 0.647 1.00 . A A . 5 ASP CG 1 1
1 60 1 1 5 ASP H H 0.129 5.009 -2.273 1.00 . A A . 5 ASP H 1 1
1 61 1 1 5 ASP HA H -2.007 6.008 -0.839 1.00 . A A . 5 ASP HA 1 1
1 62 1 1 5 ASP HB2 H 0.804 5.297 -0.164 1.00 . A A . 5 ASP HB2 1 1
1 63 1 1 5 ASP HB3 H -0.111 6.214 1.030 1.00 . A A . 5 ASP HB3 1 1
1 64 1 1 5 ASP N N -0.509 5.752 -2.236 1.00 . A A . 5 ASP N 1 1
1 65 1 1 5 ASP O O -0.002 8.361 -1.570 1.00 . A A . 5 ASP O 1 1
1 66 1 1 5 ASP OD1 O -0.624 3.211 0.026 1.00 . A A . 5 ASP OD1 1 1
1 67 1 1 5 ASP OD2 O -1.633 4.325 1.629 1.00 . A A . 5 ASP OD2 1 1
1 68 1 1 6 PRO C C -0.025 10.308 0.579 1.00 . A A . 6 PRO C 1 1
1 69 1 1 6 PRO CA C -1.448 9.820 0.327 1.00 . A A . 6 PRO CA 1 1
1 70 1 1 6 PRO CB C -2.313 10.024 1.573 1.00 . A A . 6 PRO CB 1 1
1 71 1 1 6 PRO CD C -2.453 7.708 1.019 1.00 . A A . 6 PRO CD 1 1
1 72 1 1 6 PRO CG C -2.296 8.706 2.266 1.00 . A A . 6 PRO CG 1 1
1 73 1 1 6 PRO HA H -1.873 10.367 -0.502 1.00 . A A . 6 PRO HA 1 1
1 74 1 1 6 PRO HB2 H -1.883 10.801 2.189 1.00 . A A . 6 PRO HB2 1 1
1 75 1 1 6 PRO HB3 H -3.314 10.303 1.279 1.00 . A A . 6 PRO HB3 1 1
1 76 1 1 6 PRO HD2 H -1.996 6.849 1.488 1.00 . A A . 6 PRO HD2 1 1
1 77 1 1 6 PRO HD3 H -3.355 7.421 0.499 1.00 . A A . 6 PRO HD3 1 1
1 78 1 1 6 PRO HG2 H -1.348 8.565 2.763 1.00 . A A . 6 PRO HG2 1 1
1 79 1 1 6 PRO HG3 H -3.106 8.656 2.979 1.00 . A A . 6 PRO HG3 1 1
1 80 1 1 6 PRO N N -1.509 8.372 0.104 1.00 . A A . 6 PRO N 1 1
1 81 1 1 6 PRO O O 0.274 11.490 0.413 1.00 . A A . 6 PRO O 1 1
1 82 1 1 7 TRP C C 3.112 9.480 0.032 1.00 . A A . 7 TRP C 1 1
1 83 1 1 7 TRP CA C 2.239 9.728 1.257 1.00 . A A . 7 TRP CA 1 1
1 84 1 1 7 TRP CB C 2.758 8.913 2.442 1.00 . A A . 7 TRP CB 1 1
1 85 1 1 7 TRP CD1 C 4.400 9.939 4.121 1.00 . A A . 7 TRP CD1 1 1
1 86 1 1 7 TRP CD2 C 2.264 10.528 4.445 1.00 . A A . 7 TRP CD2 1 1
1 87 1 1 7 TRP CE2 C 3.057 11.155 5.426 1.00 . A A . 7 TRP CE2 1 1
1 88 1 1 7 TRP CE3 C 0.885 10.753 4.449 1.00 . A A . 7 TRP CE3 1 1
1 89 1 1 7 TRP CG C 3.143 9.756 3.620 1.00 . A A . 7 TRP CG 1 1
1 90 1 1 7 TRP CH2 C 1.161 12.191 6.381 1.00 . A A . 7 TRP CH2 1 1
1 91 1 1 7 TRP CZ2 C 2.514 11.989 6.400 1.00 . A A . 7 TRP CZ2 1 1
1 92 1 1 7 TRP CZ3 C 0.348 11.581 5.417 1.00 . A A . 7 TRP CZ3 1 1
1 93 1 1 7 TRP H H 0.548 8.464 1.096 1.00 . A A . 7 TRP H 1 1
1 94 1 1 7 TRP HA H 2.281 10.778 1.508 1.00 . A A . 7 TRP HA 1 1
1 95 1 1 7 TRP HB2 H 1.990 8.225 2.762 1.00 . A A . 7 TRP HB2 1 1
1 96 1 1 7 TRP HB3 H 3.629 8.355 2.131 1.00 . A A . 7 TRP HB3 1 1
1 97 1 1 7 TRP HD1 H 5.289 9.483 3.713 1.00 . A A . 7 TRP HD1 1 1
1 98 1 1 7 TRP HE1 H 5.129 11.064 5.738 1.00 . A A . 7 TRP HE1 1 1
1 99 1 1 7 TRP HE3 H 0.241 10.292 3.715 1.00 . A A . 7 TRP HE3 1 1
1 100 1 1 7 TRP HH2 H 0.699 12.829 7.118 1.00 . A A . 7 TRP HH2 1 1
1 101 1 1 7 TRP HZ2 H 3.128 12.467 7.150 1.00 . A A . 7 TRP HZ2 1 1
1 102 1 1 7 TRP HZ3 H -0.716 11.766 5.436 1.00 . A A . 7 TRP HZ3 1 1
1 103 1 1 7 TRP N N 0.847 9.390 0.981 1.00 . A A . 7 TRP N 1 1
1 104 1 1 7 TRP NE1 N 4.356 10.779 5.207 1.00 . A A . 7 TRP NE1 1 1
1 105 1 1 7 TRP O O 4.325 9.302 0.147 1.00 . A A . 7 TRP O 1 1
1 106 1 1 8 CYS C C 2.545 9.988 -3.543 1.00 . A A . 8 CYS C 1 1
1 107 1 1 8 CYS CA C 3.208 9.242 -2.389 1.00 . A A . 8 CYS CA 1 1
1 108 1 1 8 CYS CB C 3.269 7.746 -2.702 1.00 . A A . 8 CYS CB 1 1
1 109 1 1 8 CYS H H 1.519 9.617 -1.170 1.00 . A A . 8 CYS H 1 1
1 110 1 1 8 CYS HA H 4.213 9.616 -2.265 1.00 . A A . 8 CYS HA 1 1
1 111 1 1 8 CYS HB2 H 2.299 7.307 -2.516 1.00 . A A . 8 CYS HB2 1 1
1 112 1 1 8 CYS HB3 H 3.523 7.614 -3.743 1.00 . A A . 8 CYS HB3 1 1
1 113 1 1 8 CYS N N 2.488 9.469 -1.142 1.00 . A A . 8 CYS N 1 1
1 114 1 1 8 CYS O O 2.567 11.218 -3.594 1.00 . A A . 8 CYS O 1 1
1 115 1 1 8 CYS SG S 4.490 6.828 -1.711 1.00 . A A . 8 CYS SG 1 1
2 116 1 1 1 GLY C C 2.186 1.263 -2.187 1.00 . A A . 1 GLY C 1 1
2 117 1 1 1 GLY CA C 2.092 -0.114 -1.560 1.00 . A A . 1 GLY CA 1 1
2 118 1 1 1 GLY H1 H 0.148 -0.850 -1.964 1.00 . A A . 1 GLY H1 1 1
2 119 1 1 1 GLY HA2 H 1.839 -0.007 -0.516 1.00 . A A . 1 GLY HA2 1 1
2 120 1 1 1 GLY HA3 H 3.054 -0.599 -1.639 1.00 . A A . 1 GLY HA3 1 1
2 121 1 1 1 GLY N N 1.093 -0.949 -2.202 1.00 . A A . 1 GLY N 1 1
2 122 1 1 1 GLY O O 1.170 1.922 -2.411 1.00 . A A . 1 GLY O 1 1
2 123 1 1 2 CYS C C 4.318 2.873 -4.428 1.00 . A A . 2 CYS C 1 1
2 124 1 1 2 CYS CA C 3.632 3.009 -3.072 1.00 . A A . 2 CYS CA 1 1
2 125 1 1 2 CYS CB C 4.480 3.882 -2.145 1.00 . A A . 2 CYS CB 1 1
2 126 1 1 2 CYS H H 4.179 1.129 -2.268 1.00 . A A . 2 CYS H 1 1
2 127 1 1 2 CYS HA H 2.670 3.478 -3.214 1.00 . A A . 2 CYS HA 1 1
2 128 1 1 2 CYS HB2 H 5.018 3.246 -1.457 1.00 . A A . 2 CYS HB2 1 1
2 129 1 1 2 CYS HB3 H 5.188 4.442 -2.738 1.00 . A A . 2 CYS HB3 1 1
2 130 1 1 2 CYS N N 3.408 1.701 -2.470 1.00 . A A . 2 CYS N 1 1
2 131 1 1 2 CYS O O 4.975 1.875 -4.723 1.00 . A A . 2 CYS O 1 1
2 132 1 1 2 CYS SG S 3.517 5.073 -1.159 1.00 . A A . 2 CYS SG 1 1
2 133 1 1 3 PRO C C 1.881 4.870 -5.092 1.00 . A A . 3 PRO C 1 1
2 134 1 1 3 PRO CA C 3.382 5.095 -4.937 1.00 . A A . 3 PRO CA 1 1
2 135 1 1 3 PRO CB C 3.873 6.138 -5.944 1.00 . A A . 3 PRO CB 1 1
2 136 1 1 3 PRO CD C 4.736 3.978 -6.630 1.00 . A A . 3 PRO CD 1 1
2 137 1 1 3 PRO CG C 5.065 5.515 -6.583 1.00 . A A . 3 PRO CG 1 1
2 138 1 1 3 PRO HA H 3.592 5.435 -3.933 1.00 . A A . 3 PRO HA 1 1
2 139 1 1 3 PRO HB2 H 3.095 6.338 -6.667 1.00 . A A . 3 PRO HB2 1 1
2 140 1 1 3 PRO HB3 H 4.134 7.049 -5.426 1.00 . A A . 3 PRO HB3 1 1
2 141 1 1 3 PRO HD2 H 4.300 3.231 -7.276 1.00 . A A . 3 PRO HD2 1 1
2 142 1 1 3 PRO HD3 H 5.810 3.872 -6.599 1.00 . A A . 3 PRO HD3 1 1
2 143 1 1 3 PRO HG2 H 5.136 5.830 -7.613 1.00 . A A . 3 PRO HG2 1 1
2 144 1 1 3 PRO HG3 H 5.958 5.791 -6.042 1.00 . A A . 3 PRO HG3 1 1
2 145 1 1 3 PRO N N 4.162 3.902 -5.276 1.00 . A A . 3 PRO N 1 1
2 146 1 1 3 PRO O O 1.482 3.890 -5.718 1.00 . A A . 3 PRO O 1 1
2 147 1 1 4 DTR C C -0.948 6.239 -3.325 1.00 . A A . 4 DTR C 1 1
2 148 1 1 4 DTR CA C -0.353 5.659 -4.610 1.00 . A A . 4 DTR CA 1 1
2 149 1 1 4 DTR CB C -0.884 6.339 -5.874 1.00 . A A . 4 DTR CB 1 1
2 150 1 1 4 DTR CD1 C -0.710 4.467 -7.642 1.00 . A A . 4 DTR CD1 1 1
2 151 1 1 4 DTR CD2 C 0.458 6.275 -8.165 1.00 . A A . 4 DTR CD2 1 1
2 152 1 1 4 DTR CE2 C 0.636 5.360 -9.183 1.00 . A A . 4 DTR CE2 1 1
2 153 1 1 4 DTR CE3 C 1.076 7.537 -8.199 1.00 . A A . 4 DTR CE3 1 1
2 154 1 1 4 DTR CG C -0.413 5.687 -7.176 1.00 . A A . 4 DTR CG 1 1
2 155 1 1 4 DTR CH2 C 2.054 6.862 -10.365 1.00 . A A . 4 DTR CH2 1 1
2 156 1 1 4 DTR CZ2 C 1.429 5.611 -10.310 1.00 . A A . 4 DTR CZ2 1 1
2 157 1 1 4 DTR CZ3 C 1.865 7.772 -9.331 1.00 . A A . 4 DTR CZ3 1 1
2 158 1 1 4 DTR H H 1.426 6.567 -4.019 1.00 . A A . 4 DTR H 1 1
2 159 1 1 4 DTR HA H -0.601 4.601 -4.691 1.00 . A A . 4 DTR HA 1 1
2 160 1 1 4 DTR HB2 H -0.574 7.384 -5.870 1.00 . A A . 4 DTR HB2 1 1
2 161 1 1 4 DTR HB3 H -1.974 6.330 -5.849 1.00 . A A . 4 DTR HB3 1 1
2 162 1 1 4 DTR HD1 H -1.355 3.754 -7.128 1.00 . A A . 4 DTR HD1 1 1
2 163 1 1 4 DTR HE1 H -0.175 3.314 -9.447 1.00 . A A . 4 DTR HE1 1 1
2 164 1 1 4 DTR HE3 H 0.952 8.277 -7.408 1.00 . A A . 4 DTR HE3 1 1
2 165 1 1 4 DTR HH2 H 2.685 7.121 -11.214 1.00 . A A . 4 DTR HH2 1 1
2 166 1 1 4 DTR HZ2 H 1.553 4.871 -11.101 1.00 . A A . 4 DTR HZ2 1 1
2 167 1 1 4 DTR HZ3 H 2.367 8.737 -9.408 1.00 . A A . 4 DTR HZ3 1 1
2 168 1 1 4 DTR N N 1.093 5.772 -4.526 1.00 . A A . 4 DTR N 1 1
2 169 1 1 4 DTR NE1 N -0.098 4.226 -8.855 1.00 . A A . 4 DTR NE1 1 1
2 170 1 1 4 DTR O O -1.778 7.149 -3.343 1.00 . A A . 4 DTR O 1 1
2 171 1 1 5 ASP C C -0.839 7.644 -0.753 1.00 . A A . 5 ASP C 1 1
2 172 1 1 5 ASP CA C -0.972 6.131 -0.894 1.00 . A A . 5 ASP CA 1 1
2 173 1 1 5 ASP CB C -0.188 5.431 0.217 1.00 . A A . 5 ASP CB 1 1
2 174 1 1 5 ASP CG C -0.805 4.104 0.613 1.00 . A A . 5 ASP CG 1 1
2 175 1 1 5 ASP H H 0.159 4.966 -2.253 1.00 . A A . 5 ASP H 1 1
2 176 1 1 5 ASP HA H -2.015 5.865 -0.809 1.00 . A A . 5 ASP HA 1 1
2 177 1 1 5 ASP HB2 H 0.821 5.251 -0.123 1.00 . A A . 5 ASP HB2 1 1
2 178 1 1 5 ASP HB3 H -0.162 6.070 1.087 1.00 . A A . 5 ASP HB3 1 1
2 179 1 1 5 ASP N N -0.503 5.688 -2.202 1.00 . A A . 5 ASP N 1 1
2 180 1 1 5 ASP O O -0.079 8.295 -1.471 1.00 . A A . 5 ASP O 1 1
2 181 1 1 5 ASP OD1 O -2.040 3.965 0.494 1.00 . A A . 5 ASP OD1 1 1
2 182 1 1 5 ASP OD2 O -0.052 3.205 1.043 1.00 . A A . 5 ASP OD2 1 1
2 183 1 1 6 PRO C C -0.174 10.187 0.724 1.00 . A A . 6 PRO C 1 1
2 184 1 1 6 PRO CA C -1.580 9.662 0.451 1.00 . A A . 6 PRO CA 1 1
2 185 1 1 6 PRO CB C -2.457 9.810 1.697 1.00 . A A . 6 PRO CB 1 1
2 186 1 1 6 PRO CD C -2.524 7.505 1.086 1.00 . A A . 6 PRO CD 1 1
2 187 1 1 6 PRO CG C -2.316 8.513 2.415 1.00 . A A . 6 PRO CG 1 1
2 188 1 1 6 PRO HA H -2.017 10.216 -0.367 1.00 . A A . 6 PRO HA 1 1
2 189 1 1 6 PRO HB2 H -2.099 10.636 2.296 1.00 . A A . 6 PRO HB2 1 1
2 190 1 1 6 PRO HB3 H -3.480 9.989 1.402 1.00 . A A . 6 PRO HB3 1 1
2 191 1 1 6 PRO HD2 H -2.044 6.648 1.536 1.00 . A A . 6 PRO HD2 1 1
2 192 1 1 6 PRO HD3 H -3.415 7.205 0.554 1.00 . A A . 6 PRO HD3 1 1
2 193 1 1 6 PRO HG2 H -1.300 8.391 2.758 1.00 . A A . 6 PRO HG2 1 1
2 194 1 1 6 PRO HG3 H -3.002 8.479 3.249 1.00 . A A . 6 PRO HG3 1 1
2 195 1 1 6 PRO N N -1.595 8.219 0.194 1.00 . A A . 6 PRO N 1 1
2 196 1 1 6 PRO O O 0.090 11.382 0.587 1.00 . A A . 6 PRO O 1 1
2 197 1 1 7 TRP C C 2.990 9.468 0.177 1.00 . A A . 7 TRP C 1 1
2 198 1 1 7 TRP CA C 2.103 9.661 1.402 1.00 . A A . 7 TRP CA 1 1
2 199 1 1 7 TRP CB C 2.640 8.834 2.571 1.00 . A A . 7 TRP CB 1 1
2 200 1 1 7 TRP CD1 C 4.256 9.506 4.444 1.00 . A A . 7 TRP CD1 1 1
2 201 1 1 7 TRP CD2 C 2.432 10.798 4.293 1.00 . A A . 7 TRP CD2 1 1
2 202 1 1 7 TRP CE2 C 3.231 11.270 5.353 1.00 . A A . 7 TRP CE2 1 1
2 203 1 1 7 TRP CE3 C 1.233 11.457 4.009 1.00 . A A . 7 TRP CE3 1 1
2 204 1 1 7 TRP CG C 3.106 9.670 3.725 1.00 . A A . 7 TRP CG 1 1
2 205 1 1 7 TRP CH2 C 1.688 12.994 5.827 1.00 . A A . 7 TRP CH2 1 1
2 206 1 1 7 TRP CZ2 C 2.867 12.368 6.127 1.00 . A A . 7 TRP CZ2 1 1
2 207 1 1 7 TRP CZ3 C 0.873 12.547 4.778 1.00 . A A . 7 TRP CZ3 1 1
2 208 1 1 7 TRP H H 0.452 8.350 1.201 1.00 . A A . 7 TRP H 1 1
2 209 1 1 7 TRP HA H 2.111 10.706 1.677 1.00 . A A . 7 TRP HA 1 1
2 210 1 1 7 TRP HB2 H 1.861 8.178 2.928 1.00 . A A . 7 TRP HB2 1 1
2 211 1 1 7 TRP HB3 H 3.476 8.242 2.229 1.00 . A A . 7 TRP HB3 1 1
2 212 1 1 7 TRP HD1 H 4.984 8.731 4.258 1.00 . A A . 7 TRP HD1 1 1
2 213 1 1 7 TRP HE1 H 5.069 10.557 6.070 1.00 . A A . 7 TRP HE1 1 1
2 214 1 1 7 TRP HE3 H 0.592 11.127 3.205 1.00 . A A . 7 TRP HE3 1 1
2 215 1 1 7 TRP HH2 H 1.367 13.849 6.402 1.00 . A A . 7 TRP HH2 1 1
2 216 1 1 7 TRP HZ2 H 3.485 12.726 6.938 1.00 . A A . 7 TRP HZ2 1 1
2 217 1 1 7 TRP HZ3 H -0.050 13.068 4.573 1.00 . A A . 7 TRP HZ3 1 1
2 218 1 1 7 TRP N N 0.723 9.288 1.110 1.00 . A A . 7 TRP N 1 1
2 219 1 1 7 TRP NE1 N 4.337 10.465 5.425 1.00 . A A . 7 TRP NE1 1 1
2 220 1 1 7 TRP O O 4.207 9.326 0.295 1.00 . A A . 7 TRP O 1 1
2 221 1 1 8 CYS C C 2.427 10.043 -3.389 1.00 . A A . 8 CYS C 1 1
2 222 1 1 8 CYS CA C 3.106 9.290 -2.248 1.00 . A A . 8 CYS CA 1 1
2 223 1 1 8 CYS CB C 3.213 7.804 -2.596 1.00 . A A . 8 CYS CB 1 1
2 224 1 1 8 CYS H H 1.400 9.584 -1.031 1.00 . A A . 8 CYS H 1 1
2 225 1 1 8 CYS HA H 4.099 9.691 -2.109 1.00 . A A . 8 CYS HA 1 1
2 226 1 1 8 CYS HB2 H 2.255 7.333 -2.430 1.00 . A A . 8 CYS HB2 1 1
2 227 1 1 8 CYS HB3 H 3.481 7.705 -3.638 1.00 . A A . 8 CYS HB3 1 1
2 228 1 1 8 CYS N N 2.373 9.465 -1.000 1.00 . A A . 8 CYS N 1 1
2 229 1 1 8 CYS O O 3.022 10.931 -3.999 1.00 . A A . 8 CYS O 1 1
2 230 1 1 8 CYS SG S 4.452 6.898 -1.615 1.00 . A A . 8 CYS SG 1 1
3 231 1 1 1 GLY C C 2.211 1.763 -1.344 1.00 . A A . 1 GLY C 1 1
3 232 1 1 1 GLY CA C 2.053 0.455 -0.594 1.00 . A A . 1 GLY CA 1 1
3 233 1 1 1 GLY H1 H -0.055 0.625 -0.500 1.00 . A A . 1 GLY H1 1 1
3 234 1 1 1 GLY HA2 H 2.789 0.414 0.195 1.00 . A A . 1 GLY HA2 1 1
3 235 1 1 1 GLY HA3 H 2.229 -0.362 -1.279 1.00 . A A . 1 GLY HA3 1 1
3 236 1 1 1 GLY N N 0.732 0.304 -0.013 1.00 . A A . 1 GLY N 1 1
3 237 1 1 1 GLY O O 1.386 2.668 -1.209 1.00 . A A . 1 GLY O 1 1
3 238 1 1 2 CYS C C 4.137 2.727 -4.269 1.00 . A A . 2 CYS C 1 1
3 239 1 1 2 CYS CA C 3.538 3.073 -2.909 1.00 . A A . 2 CYS CA 1 1
3 240 1 1 2 CYS CB C 4.486 3.997 -2.141 1.00 . A A . 2 CYS CB 1 1
3 241 1 1 2 CYS H H 3.895 1.110 -2.202 1.00 . A A . 2 CYS H 1 1
3 242 1 1 2 CYS HA H 2.598 3.582 -3.062 1.00 . A A . 2 CYS HA 1 1
3 243 1 1 2 CYS HB2 H 5.024 3.417 -1.406 1.00 . A A . 2 CYS HB2 1 1
3 244 1 1 2 CYS HB3 H 5.190 4.433 -2.834 1.00 . A A . 2 CYS HB3 1 1
3 245 1 1 2 CYS N N 3.273 1.866 -2.136 1.00 . A A . 2 CYS N 1 1
3 246 1 1 2 CYS O O 4.718 1.660 -4.466 1.00 . A A . 2 CYS O 1 1
3 247 1 1 2 CYS SG S 3.650 5.360 -1.268 1.00 . A A . 2 CYS SG 1 1
3 248 1 1 3 PRO C C 1.787 4.781 -5.059 1.00 . A A . 3 PRO C 1 1
3 249 1 1 3 PRO CA C 3.304 4.926 -5.007 1.00 . A A . 3 PRO CA 1 1
3 250 1 1 3 PRO CB C 3.797 5.803 -6.160 1.00 . A A . 3 PRO CB 1 1
3 251 1 1 3 PRO CD C 4.494 3.524 -6.609 1.00 . A A . 3 PRO CD 1 1
3 252 1 1 3 PRO CG C 5.065 5.162 -6.608 1.00 . A A . 3 PRO CG 1 1
3 253 1 1 3 PRO HA H 3.590 5.372 -4.066 1.00 . A A . 3 PRO HA 1 1
3 254 1 1 3 PRO HB2 H 3.059 5.813 -6.950 1.00 . A A . 3 PRO HB2 1 1
3 255 1 1 3 PRO HB3 H 3.967 6.808 -5.806 1.00 . A A . 3 PRO HB3 1 1
3 256 1 1 3 PRO HD2 H 3.715 3.173 -7.271 1.00 . A A . 3 PRO HD2 1 1
3 257 1 1 3 PRO HD3 H 5.350 2.866 -6.649 1.00 . A A . 3 PRO HD3 1 1
3 258 1 1 3 PRO HG2 H 5.101 5.133 -7.687 1.00 . A A . 3 PRO HG2 1 1
3 259 1 1 3 PRO HG3 H 5.911 5.709 -6.218 1.00 . A A . 3 PRO HG3 1 1
3 260 1 1 3 PRO N N 3.994 3.652 -5.230 1.00 . A A . 3 PRO N 1 1
3 261 1 1 3 PRO O O 1.296 3.758 -5.536 1.00 . A A . 3 PRO O 1 1
3 262 1 1 4 DTR C C -0.853 6.465 -3.302 1.00 . A A . 4 DTR C 1 1
3 263 1 1 4 DTR CA C -0.368 5.766 -4.573 1.00 . A A . 4 DTR CA 1 1
3 264 1 1 4 DTR CB C -0.930 6.392 -5.851 1.00 . A A . 4 DTR CB 1 1
3 265 1 1 4 DTR CD1 C -0.792 4.438 -7.531 1.00 . A A . 4 DTR CD1 1 1
3 266 1 1 4 DTR CD2 C 0.335 6.231 -8.181 1.00 . A A . 4 DTR CD2 1 1
3 267 1 1 4 DTR CE2 C 0.490 5.269 -9.159 1.00 . A A . 4 DTR CE2 1 1
3 268 1 1 4 DTR CE3 C 0.935 7.497 -8.297 1.00 . A A . 4 DTR CE3 1 1
3 269 1 1 4 DTR CG C -0.494 5.683 -7.135 1.00 . A A . 4 DTR CG 1 1
3 270 1 1 4 DTR CH2 C 1.848 6.727 -10.460 1.00 . A A . 4 DTR CH2 1 1
3 271 1 1 4 DTR CZ2 C 1.241 5.473 -10.323 1.00 . A A . 4 DTR CZ2 1 1
3 272 1 1 4 DTR CZ3 C 1.683 7.685 -9.466 1.00 . A A . 4 DTR CZ3 1 1
3 273 1 1 4 DTR H H 1.492 6.623 -4.189 1.00 . A A . 4 DTR H 1 1
3 274 1 1 4 DTR HA H -0.680 4.722 -4.567 1.00 . A A . 4 DTR HA 1 1
3 275 1 1 4 DTR HB2 H -0.617 7.435 -5.901 1.00 . A A . 4 DTR HB2 1 1
3 276 1 1 4 DTR HB3 H -2.018 6.388 -5.797 1.00 . A A . 4 DTR HB3 1 1
3 277 1 1 4 DTR HD1 H -1.410 3.744 -6.962 1.00 . A A . 4 DTR HD1 1 1
3 278 1 1 4 DTR HE1 H -0.303 3.203 -9.295 1.00 . A A . 4 DTR HE1 1 1
3 279 1 1 4 DTR HE3 H 0.828 8.273 -7.539 1.00 . A A . 4 DTR HE3 1 1
3 280 1 1 4 DTR HH2 H 2.447 6.952 -11.342 1.00 . A A . 4 DTR HH2 1 1
3 281 1 1 4 DTR HZ2 H 1.348 4.697 -11.081 1.00 . A A . 4 DTR HZ2 1 1
3 282 1 1 4 DTR HZ3 H 2.170 8.650 -9.606 1.00 . A A . 4 DTR HZ3 1 1
3 283 1 1 4 DTR N N 1.085 5.795 -4.575 1.00 . A A . 4 DTR N 1 1
3 284 1 1 4 DTR NE1 N -0.218 4.144 -8.752 1.00 . A A . 4 DTR NE1 1 1
3 285 1 1 4 DTR O O -1.653 7.400 -3.336 1.00 . A A . 4 DTR O 1 1
3 286 1 1 5 ASP C C -0.520 8.062 -0.863 1.00 . A A . 5 ASP C 1 1
3 287 1 1 5 ASP CA C -0.710 6.548 -0.874 1.00 . A A . 5 ASP CA 1 1
3 288 1 1 5 ASP CB C 0.128 5.909 0.235 1.00 . A A . 5 ASP CB 1 1
3 289 1 1 5 ASP CG C -0.645 4.863 1.014 1.00 . A A . 5 ASP CG 1 1
3 290 1 1 5 ASP H H 0.287 5.241 -2.208 1.00 . A A . 5 ASP H 1 1
3 291 1 1 5 ASP HA H -1.752 6.327 -0.697 1.00 . A A . 5 ASP HA 1 1
3 292 1 1 5 ASP HB2 H 0.994 5.436 -0.205 1.00 . A A . 5 ASP HB2 1 1
3 293 1 1 5 ASP HB3 H 0.451 6.677 0.921 1.00 . A A . 5 ASP HB3 1 1
3 294 1 1 5 ASP N N -0.347 5.988 -2.170 1.00 . A A . 5 ASP N 1 1
3 295 1 1 5 ASP O O 0.207 8.626 -1.681 1.00 . A A . 5 ASP O 1 1
3 296 1 1 5 ASP OD1 O -1.401 4.093 0.385 1.00 . A A . 5 ASP OD1 1 1
3 297 1 1 5 ASP OD2 O -0.494 4.814 2.253 1.00 . A A . 5 ASP OD2 1 1
3 298 1 1 6 PRO C C 0.325 10.686 0.357 1.00 . A A . 6 PRO C 1 1
3 299 1 1 6 PRO CA C -1.112 10.193 0.222 1.00 . A A . 6 PRO CA 1 1
3 300 1 1 6 PRO CB C -1.895 10.469 1.508 1.00 . A A . 6 PRO CB 1 1
3 301 1 1 6 PRO CD C -2.075 8.128 1.090 1.00 . A A . 6 PRO CD 1 1
3 302 1 1 6 PRO CG C -1.797 9.205 2.290 1.00 . A A . 6 PRO CG 1 1
3 303 1 1 6 PRO HA H -1.587 10.697 -0.606 1.00 . A A . 6 PRO HA 1 1
3 304 1 1 6 PRO HB2 H -1.444 11.297 2.036 1.00 . A A . 6 PRO HB2 1 1
3 305 1 1 6 PRO HB3 H -2.920 10.705 1.266 1.00 . A A . 6 PRO HB3 1 1
3 306 1 1 6 PRO HD2 H -1.592 7.292 1.574 1.00 . A A . 6 PRO HD2 1 1
3 307 1 1 6 PRO HD3 H -3.010 7.819 0.645 1.00 . A A . 6 PRO HD3 1 1
3 308 1 1 6 PRO HG2 H -0.881 9.195 2.860 1.00 . A A . 6 PRO HG2 1 1
3 309 1 1 6 PRO HG3 H -2.650 9.113 2.946 1.00 . A A . 6 PRO HG3 1 1
3 310 1 1 6 PRO N N -1.190 8.736 0.083 1.00 . A A . 6 PRO N 1 1
3 311 1 1 6 PRO O O 0.616 11.856 0.108 1.00 . A A . 6 PRO O 1 1
3 312 1 1 7 TRP C C 3.419 9.812 -0.342 1.00 . A A . 7 TRP C 1 1
3 313 1 1 7 TRP CA C 2.626 10.131 0.920 1.00 . A A . 7 TRP CA 1 1
3 314 1 1 7 TRP CB C 3.218 9.378 2.113 1.00 . A A . 7 TRP CB 1 1
3 315 1 1 7 TRP CD1 C 3.471 11.168 3.929 1.00 . A A . 7 TRP CD1 1 1
3 316 1 1 7 TRP CD2 C 1.993 9.559 4.422 1.00 . A A . 7 TRP CD2 1 1
3 317 1 1 7 TRP CE2 C 2.037 10.472 5.493 1.00 . A A . 7 TRP CE2 1 1
3 318 1 1 7 TRP CE3 C 1.131 8.462 4.506 1.00 . A A . 7 TRP CE3 1 1
3 319 1 1 7 TRP CG C 2.918 10.023 3.432 1.00 . A A . 7 TRP CG 1 1
3 320 1 1 7 TRP CH2 C 0.418 9.237 6.690 1.00 . A A . 7 TRP CH2 1 1
3 321 1 1 7 TRP CZ2 C 1.253 10.319 6.633 1.00 . A A . 7 TRP CZ2 1 1
3 322 1 1 7 TRP CZ3 C 0.354 8.312 5.639 1.00 . A A . 7 TRP CZ3 1 1
3 323 1 1 7 TRP H H 0.926 8.869 0.936 1.00 . A A . 7 TRP H 1 1
3 324 1 1 7 TRP HA H 2.687 11.192 1.111 1.00 . A A . 7 TRP HA 1 1
3 325 1 1 7 TRP HB2 H 2.817 8.376 2.133 1.00 . A A . 7 TRP HB2 1 1
3 326 1 1 7 TRP HB3 H 4.292 9.330 2.001 1.00 . A A . 7 TRP HB3 1 1
3 327 1 1 7 TRP HD1 H 4.213 11.758 3.414 1.00 . A A . 7 TRP HD1 1 1
3 328 1 1 7 TRP HE1 H 3.184 12.213 5.729 1.00 . A A . 7 TRP HE1 1 1
3 329 1 1 7 TRP HE3 H 1.067 7.739 3.707 1.00 . A A . 7 TRP HE3 1 1
3 330 1 1 7 TRP HH2 H -0.207 9.079 7.555 1.00 . A A . 7 TRP HH2 1 1
3 331 1 1 7 TRP HZ2 H 1.291 11.024 7.452 1.00 . A A . 7 TRP HZ2 1 1
3 332 1 1 7 TRP HZ3 H -0.318 7.470 5.722 1.00 . A A . 7 TRP HZ3 1 1
3 333 1 1 7 TRP N N 1.219 9.787 0.753 1.00 . A A . 7 TRP N 1 1
3 334 1 1 7 TRP NE1 N 2.947 11.444 5.169 1.00 . A A . 7 TRP NE1 1 1
3 335 1 1 7 TRP O O 4.637 9.637 -0.295 1.00 . A A . 7 TRP O 1 1
3 336 1 1 8 CYS C C 2.629 10.131 -3.895 1.00 . A A . 8 CYS C 1 1
3 337 1 1 8 CYS CA C 3.360 9.441 -2.747 1.00 . A A . 8 CYS CA 1 1
3 338 1 1 8 CYS CB C 3.394 7.930 -2.984 1.00 . A A . 8 CYS CB 1 1
3 339 1 1 8 CYS H H 1.752 9.888 -1.445 1.00 . A A . 8 CYS H 1 1
3 340 1 1 8 CYS HA H 4.372 9.813 -2.707 1.00 . A A . 8 CYS HA 1 1
3 341 1 1 8 CYS HB2 H 2.430 7.512 -2.730 1.00 . A A . 8 CYS HB2 1 1
3 342 1 1 8 CYS HB3 H 3.597 7.741 -4.028 1.00 . A A . 8 CYS HB3 1 1
3 343 1 1 8 CYS N N 2.721 9.739 -1.471 1.00 . A A . 8 CYS N 1 1
3 344 1 1 8 CYS O O 3.036 10.031 -5.053 1.00 . A A . 8 CYS O 1 1
3 345 1 1 8 CYS SG S 4.653 7.052 -2.004 1.00 . A A . 8 CYS SG 1 1
4 346 1 1 1 GLY C C 2.091 1.326 -2.103 1.00 . A A . 1 GLY C 1 1
4 347 1 1 1 GLY CA C 1.958 -0.002 -1.385 1.00 . A A . 1 GLY CA 1 1
4 348 1 1 1 GLY H1 H 0.867 -0.255 0.413 1.00 . A A . 1 GLY H1 1 1
4 349 1 1 1 GLY HA2 H 2.881 -0.552 -1.493 1.00 . A A . 1 GLY HA2 1 1
4 350 1 1 1 GLY HA3 H 1.159 -0.567 -1.842 1.00 . A A . 1 GLY HA3 1 1
4 351 1 1 1 GLY N N 1.670 0.157 0.029 1.00 . A A . 1 GLY N 1 1
4 352 1 1 1 GLY O O 1.091 1.943 -2.473 1.00 . A A . 1 GLY O 1 1
4 353 1 1 2 CYS C C 4.269 2.802 -4.321 1.00 . A A . 2 CYS C 1 1
4 354 1 1 2 CYS CA C 3.588 3.035 -2.975 1.00 . A A . 2 CYS CA 1 1
4 355 1 1 2 CYS CB C 4.461 3.936 -2.099 1.00 . A A . 2 CYS CB 1 1
4 356 1 1 2 CYS H H 4.085 1.233 -1.981 1.00 . A A . 2 CYS H 1 1
4 357 1 1 2 CYS HA H 2.640 3.522 -3.145 1.00 . A A . 2 CYS HA 1 1
4 358 1 1 2 CYS HB2 H 4.980 3.325 -1.374 1.00 . A A . 2 CYS HB2 1 1
4 359 1 1 2 CYS HB3 H 5.184 4.440 -2.722 1.00 . A A . 2 CYS HB3 1 1
4 360 1 1 2 CYS N N 3.328 1.770 -2.299 1.00 . A A . 2 CYS N 1 1
4 361 1 1 2 CYS O O 4.898 1.770 -4.556 1.00 . A A . 2 CYS O 1 1
4 362 1 1 2 CYS SG S 3.532 5.208 -1.184 1.00 . A A . 2 CYS SG 1 1
4 363 1 1 3 PRO C C 1.890 4.825 -5.101 1.00 . A A . 3 PRO C 1 1
4 364 1 1 3 PRO CA C 3.396 5.017 -4.957 1.00 . A A . 3 PRO CA 1 1
4 365 1 1 3 PRO CB C 3.916 5.986 -6.022 1.00 . A A . 3 PRO CB 1 1
4 366 1 1 3 PRO CD C 4.718 3.766 -6.581 1.00 . A A . 3 PRO CD 1 1
4 367 1 1 3 PRO CG C 5.129 5.323 -6.577 1.00 . A A . 3 PRO CG 1 1
4 368 1 1 3 PRO HA H 3.616 5.407 -3.974 1.00 . A A . 3 PRO HA 1 1
4 369 1 1 3 PRO HB2 H 3.161 6.130 -6.781 1.00 . A A . 3 PRO HB2 1 1
4 370 1 1 3 PRO HB3 H 4.159 6.933 -5.564 1.00 . A A . 3 PRO HB3 1 1
4 371 1 1 3 PRO HD2 H 4.064 3.252 -7.271 1.00 . A A . 3 PRO HD2 1 1
4 372 1 1 3 PRO HD3 H 5.698 3.312 -6.577 1.00 . A A . 3 PRO HD3 1 1
4 373 1 1 3 PRO HG2 H 5.235 5.568 -7.623 1.00 . A A . 3 PRO HG2 1 1
4 374 1 1 3 PRO HG3 H 6.004 5.636 -6.026 1.00 . A A . 3 PRO HG3 1 1
4 375 1 1 3 PRO N N 4.143 3.784 -5.226 1.00 . A A . 3 PRO N 1 1
4 376 1 1 3 PRO O O 1.463 3.823 -5.671 1.00 . A A . 3 PRO O 1 1
4 377 1 1 4 DTR C C -0.899 6.336 -3.401 1.00 . A A . 4 DTR C 1 1
4 378 1 1 4 DTR CA C -0.322 5.703 -4.668 1.00 . A A . 4 DTR CA 1 1
4 379 1 1 4 DTR CB C -0.836 6.359 -5.951 1.00 . A A . 4 DTR CB 1 1
4 380 1 1 4 DTR CD1 C -0.707 4.431 -7.662 1.00 . A A . 4 DTR CD1 1 1
4 381 1 1 4 DTR CD2 C 0.498 6.197 -8.242 1.00 . A A . 4 DTR CD2 1 1
4 382 1 1 4 DTR CE2 C 0.653 5.248 -9.232 1.00 . A A . 4 DTR CE2 1 1
4 383 1 1 4 DTR CE3 C 1.143 7.444 -8.316 1.00 . A A . 4 DTR CE3 1 1
4 384 1 1 4 DTR CG C -0.382 5.658 -7.233 1.00 . A A . 4 DTR CG 1 1
4 385 1 1 4 DTR CH2 C 2.100 6.683 -10.462 1.00 . A A . 4 DTR CH2 1 1
4 386 1 1 4 DTR CZ2 C 1.448 5.447 -10.367 1.00 . A A . 4 DTR CZ2 1 1
4 387 1 1 4 DTR CZ3 C 1.934 7.628 -9.456 1.00 . A A . 4 DTR CZ3 1 1
4 388 1 1 4 DTR H H 1.483 6.592 -4.127 1.00 . A A . 4 DTR H 1 1
4 389 1 1 4 DTR HA H -0.597 4.650 -4.718 1.00 . A A . 4 DTR HA 1 1
4 390 1 1 4 DTR HB2 H -0.499 7.396 -5.977 1.00 . A A . 4 DTR HB2 1 1
4 391 1 1 4 DTR HB3 H -1.925 6.378 -5.926 1.00 . A A . 4 DTR HB3 1 1
4 392 1 1 4 DTR HD1 H -1.366 3.748 -7.125 1.00 . A A . 4 DTR HD1 1 1
4 393 1 1 4 DTR HE1 H -0.201 3.212 -9.432 1.00 . A A . 4 DTR HE1 1 1
4 394 1 1 4 DTR HE3 H 1.037 8.210 -7.547 1.00 . A A . 4 DTR HE3 1 1
4 395 1 1 4 DTR HH2 H 2.734 6.903 -11.320 1.00 . A A . 4 DTR HH2 1 1
4 396 1 1 4 DTR HZ2 H 1.554 4.682 -11.136 1.00 . A A . 4 DTR HZ2 1 1
4 397 1 1 4 DTR HZ3 H 2.456 8.579 -9.563 1.00 . A A . 4 DTR HZ3 1 1
4 398 1 1 4 DTR N N 1.127 5.780 -4.589 1.00 . A A . 4 DTR N 1 1
4 399 1 1 4 DTR NE1 N -0.103 4.140 -8.869 1.00 . A A . 4 DTR NE1 1 1
4 400 1 1 4 DTR O O -1.716 7.256 -3.444 1.00 . A A . 4 DTR O 1 1
4 401 1 1 5 ASP C C -0.751 7.829 -0.880 1.00 . A A . 5 ASP C 1 1
4 402 1 1 5 ASP CA C -0.906 6.314 -0.967 1.00 . A A . 5 ASP CA 1 1
4 403 1 1 5 ASP CB C -0.123 5.643 0.163 1.00 . A A . 5 ASP CB 1 1
4 404 1 1 5 ASP CG C -0.770 4.354 0.629 1.00 . A A . 5 ASP CG 1 1
4 405 1 1 5 ASP H H 0.199 5.087 -2.292 1.00 . A A . 5 ASP H 1 1
4 406 1 1 5 ASP HA H -1.952 6.066 -0.865 1.00 . A A . 5 ASP HA 1 1
4 407 1 1 5 ASP HB2 H 0.875 5.419 -0.184 1.00 . A A . 5 ASP HB2 1 1
4 408 1 1 5 ASP HB3 H -0.065 6.320 1.002 1.00 . A A . 5 ASP HB3 1 1
4 409 1 1 5 ASP N N -0.452 5.819 -2.261 1.00 . A A . 5 ASP N 1 1
4 410 1 1 5 ASP O O 0.012 8.444 -1.626 1.00 . A A . 5 ASP O 1 1
4 411 1 1 5 ASP OD1 O -1.430 3.688 -0.197 1.00 . A A . 5 ASP OD1 1 1
4 412 1 1 5 ASP OD2 O -0.615 4.009 1.819 1.00 . A A . 5 ASP OD2 1 1
4 413 1 1 6 PRO C C -0.040 10.413 0.502 1.00 . A A . 6 PRO C 1 1
4 414 1 1 6 PRO CA C -1.455 9.899 0.257 1.00 . A A . 6 PRO CA 1 1
4 415 1 1 6 PRO CB C -2.321 10.103 1.503 1.00 . A A . 6 PRO CB 1 1
4 416 1 1 6 PRO CD C -2.423 7.779 0.975 1.00 . A A . 6 PRO CD 1 1
4 417 1 1 6 PRO CG C -2.622 8.725 1.984 1.00 . A A . 6 PRO CG 1 1
4 418 1 1 6 PRO HA H -1.890 10.429 -0.577 1.00 . A A . 6 PRO HA 1 1
4 419 1 1 6 PRO HB2 H -1.768 10.668 2.240 1.00 . A A . 6 PRO HB2 1 1
4 420 1 1 6 PRO HB3 H -3.222 10.634 1.236 1.00 . A A . 6 PRO HB3 1 1
4 421 1 1 6 PRO HD2 H -1.951 6.933 1.452 1.00 . A A . 6 PRO HD2 1 1
4 422 1 1 6 PRO HD3 H -3.321 7.471 0.460 1.00 . A A . 6 PRO HD3 1 1
4 423 1 1 6 PRO HG2 H -1.984 8.480 2.819 1.00 . A A . 6 PRO HG2 1 1
4 424 1 1 6 PRO HG3 H -3.661 8.657 2.271 1.00 . A A . 6 PRO HG3 1 1
4 425 1 1 6 PRO N N -1.492 8.448 0.051 1.00 . A A . 6 PRO N 1 1
4 426 1 1 6 PRO O O 0.239 11.599 0.321 1.00 . A A . 6 PRO O 1 1
4 427 1 1 7 TRP C C 3.109 9.632 -0.043 1.00 . A A . 7 TRP C 1 1
4 428 1 1 7 TRP CA C 2.235 9.880 1.181 1.00 . A A . 7 TRP CA 1 1
4 429 1 1 7 TRP CB C 2.769 9.087 2.375 1.00 . A A . 7 TRP CB 1 1
4 430 1 1 7 TRP CD1 C 4.424 10.497 3.731 1.00 . A A . 7 TRP CD1 1 1
4 431 1 1 7 TRP CD2 C 2.374 10.373 4.623 1.00 . A A . 7 TRP CD2 1 1
4 432 1 1 7 TRP CE2 C 3.180 11.170 5.459 1.00 . A A . 7 TRP CE2 1 1
4 433 1 1 7 TRP CE3 C 1.041 10.155 4.981 1.00 . A A . 7 TRP CE3 1 1
4 434 1 1 7 TRP CG C 3.189 9.953 3.523 1.00 . A A . 7 TRP CG 1 1
4 435 1 1 7 TRP CH2 C 1.386 11.517 6.956 1.00 . A A . 7 TRP CH2 1 1
4 436 1 1 7 TRP CZ2 C 2.695 11.747 6.630 1.00 . A A . 7 TRP CZ2 1 1
4 437 1 1 7 TRP CZ3 C 0.562 10.728 6.144 1.00 . A A . 7 TRP CZ3 1 1
4 438 1 1 7 TRP H H 0.565 8.585 1.038 1.00 . A A . 7 TRP H 1 1
4 439 1 1 7 TRP HA H 2.259 10.933 1.420 1.00 . A A . 7 TRP HA 1 1
4 440 1 1 7 TRP HB2 H 2.001 8.416 2.727 1.00 . A A . 7 TRP HB2 1 1
4 441 1 1 7 TRP HB3 H 3.628 8.511 2.059 1.00 . A A . 7 TRP HB3 1 1
4 442 1 1 7 TRP HD1 H 5.267 10.361 3.071 1.00 . A A . 7 TRP HD1 1 1
4 443 1 1 7 TRP HE1 H 5.195 11.718 5.257 1.00 . A A . 7 TRP HE1 1 1
4 444 1 1 7 TRP HE3 H 0.389 9.550 4.368 1.00 . A A . 7 TRP HE3 1 1
4 445 1 1 7 TRP HH2 H 0.970 11.944 7.855 1.00 . A A . 7 TRP HH2 1 1
4 446 1 1 7 TRP HZ2 H 3.318 12.359 7.266 1.00 . A A . 7 TRP HZ2 1 1
4 447 1 1 7 TRP HZ3 H -0.466 10.570 6.438 1.00 . A A . 7 TRP HZ3 1 1
4 448 1 1 7 TRP N N 0.848 9.516 0.912 1.00 . A A . 7 TRP N 1 1
4 449 1 1 7 TRP NE1 N 4.426 11.230 4.893 1.00 . A A . 7 TRP NE1 1 1
4 450 1 1 7 TRP O O 4.326 9.477 0.072 1.00 . A A . 7 TRP O 1 1
4 451 1 1 8 CYS C C 2.529 10.091 -3.621 1.00 . A A . 8 CYS C 1 1
4 452 1 1 8 CYS CA C 3.205 9.367 -2.460 1.00 . A A . 8 CYS CA 1 1
4 453 1 1 8 CYS CB C 3.288 7.869 -2.758 1.00 . A A . 8 CYS CB 1 1
4 454 1 1 8 CYS H H 1.512 9.727 -1.242 1.00 . A A . 8 CYS H 1 1
4 455 1 1 8 CYS HA H 4.205 9.758 -2.342 1.00 . A A . 8 CYS HA 1 1
4 456 1 1 8 CYS HB2 H 2.323 7.419 -2.574 1.00 . A A . 8 CYS HB2 1 1
4 457 1 1 8 CYS HB3 H 3.552 7.730 -3.796 1.00 . A A . 8 CYS HB3 1 1
4 458 1 1 8 CYS N N 2.484 9.596 -1.215 1.00 . A A . 8 CYS N 1 1
4 459 1 1 8 CYS O O 1.710 10.986 -3.414 1.00 . A A . 8 CYS O 1 1
4 460 1 1 8 CYS SG S 4.515 6.977 -1.749 1.00 . A A . 8 CYS SG 1 1
5 461 1 1 1 GLY C C 2.144 1.366 -1.970 1.00 . A A . 1 GLY C 1 1
5 462 1 1 1 GLY CA C 2.039 0.010 -1.301 1.00 . A A . 1 GLY CA 1 1
5 463 1 1 1 GLY H1 H -0.009 0.048 -0.766 1.00 . A A . 1 GLY H1 1 1
5 464 1 1 1 GLY HA2 H 2.429 0.084 -0.297 1.00 . A A . 1 GLY HA2 1 1
5 465 1 1 1 GLY HA3 H 2.635 -0.700 -1.856 1.00 . A A . 1 GLY HA3 1 1
5 466 1 1 1 GLY N N 0.672 -0.475 -1.239 1.00 . A A . 1 GLY N 1 1
5 467 1 1 1 GLY O O 1.150 2.082 -2.098 1.00 . A A . 1 GLY O 1 1
5 468 1 1 2 CYS C C 4.248 2.802 -4.413 1.00 . A A . 2 CYS C 1 1
5 469 1 1 2 CYS CA C 3.583 3.002 -3.054 1.00 . A A . 2 CYS CA 1 1
5 470 1 1 2 CYS CB C 4.456 3.900 -2.175 1.00 . A A . 2 CYS CB 1 1
5 471 1 1 2 CYS H H 4.105 1.108 -2.265 1.00 . A A . 2 CYS H 1 1
5 472 1 1 2 CYS HA H 2.626 3.478 -3.201 1.00 . A A . 2 CYS HA 1 1
5 473 1 1 2 CYS HB2 H 4.995 3.284 -1.469 1.00 . A A . 2 CYS HB2 1 1
5 474 1 1 2 CYS HB3 H 5.163 4.425 -2.799 1.00 . A A . 2 CYS HB3 1 1
5 475 1 1 2 CYS N N 3.351 1.722 -2.396 1.00 . A A . 2 CYS N 1 1
5 476 1 1 2 CYS O O 4.887 1.784 -4.676 1.00 . A A . 2 CYS O 1 1
5 477 1 1 2 CYS SG S 3.523 5.143 -1.224 1.00 . A A . 2 CYS SG 1 1
5 478 1 1 3 PRO C C 1.828 4.804 -5.123 1.00 . A A . 3 PRO C 1 1
5 479 1 1 3 PRO CA C 3.333 5.015 -4.997 1.00 . A A . 3 PRO CA 1 1
5 480 1 1 3 PRO CB C 3.824 6.010 -6.052 1.00 . A A . 3 PRO CB 1 1
5 481 1 1 3 PRO CD C 4.648 3.812 -6.663 1.00 . A A . 3 PRO CD 1 1
5 482 1 1 3 PRO CG C 5.120 5.449 -6.528 1.00 . A A . 3 PRO CG 1 1
5 483 1 1 3 PRO HA H 3.562 5.391 -4.011 1.00 . A A . 3 PRO HA 1 1
5 484 1 1 3 PRO HB2 H 3.102 6.073 -6.854 1.00 . A A . 3 PRO HB2 1 1
5 485 1 1 3 PRO HB3 H 3.956 6.982 -5.602 1.00 . A A . 3 PRO HB3 1 1
5 486 1 1 3 PRO HD2 H 3.868 3.677 -7.398 1.00 . A A . 3 PRO HD2 1 1
5 487 1 1 3 PRO HD3 H 5.411 3.056 -6.776 1.00 . A A . 3 PRO HD3 1 1
5 488 1 1 3 PRO HG2 H 5.343 5.826 -7.514 1.00 . A A . 3 PRO HG2 1 1
5 489 1 1 3 PRO HG3 H 5.908 5.711 -5.838 1.00 . A A . 3 PRO HG3 1 1
5 490 1 1 3 PRO N N 4.093 3.798 -5.299 1.00 . A A . 3 PRO N 1 1
5 491 1 1 3 PRO O O 1.407 3.805 -5.704 1.00 . A A . 3 PRO O 1 1
5 492 1 1 4 DTR C C -0.955 6.231 -3.349 1.00 . A A . 4 DTR C 1 1
5 493 1 1 4 DTR CA C -0.389 5.643 -4.642 1.00 . A A . 4 DTR CA 1 1
5 494 1 1 4 DTR CB C -0.933 6.327 -5.898 1.00 . A A . 4 DTR CB 1 1
5 495 1 1 4 DTR CD1 C -0.718 4.541 -7.750 1.00 . A A . 4 DTR CD1 1 1
5 496 1 1 4 DTR CD2 C 0.520 6.340 -8.122 1.00 . A A . 4 DTR CD2 1 1
5 497 1 1 4 DTR CE2 C 0.725 5.473 -9.176 1.00 . A A . 4 DTR CE2 1 1
5 498 1 1 4 DTR CE3 C 1.170 7.586 -8.061 1.00 . A A . 4 DTR CE3 1 1
5 499 1 1 4 DTR CG C -0.414 5.728 -7.207 1.00 . A A . 4 DTR CG 1 1
5 500 1 1 4 DTR CH2 C 2.238 6.993 -10.208 1.00 . A A . 4 DTR CH2 1 1
5 501 1 1 4 DTR CZ2 C 1.579 5.758 -10.248 1.00 . A A . 4 DTR CZ2 1 1
5 502 1 1 4 DTR CZ3 C 2.021 7.855 -9.139 1.00 . A A . 4 DTR CZ3 1 1
5 503 1 1 4 DTR H H 1.410 6.548 -4.112 1.00 . A A . 4 DTR H 1 1
5 504 1 1 4 DTR HA H -0.650 4.587 -4.718 1.00 . A A . 4 DTR HA 1 1
5 505 1 1 4 DTR HB2 H -0.671 7.384 -5.866 1.00 . A A . 4 DTR HB2 1 1
5 506 1 1 4 DTR HB3 H -2.021 6.267 -5.890 1.00 . A A . 4 DTR HB3 1 1
5 507 1 1 4 DTR HD1 H -1.406 3.822 -7.305 1.00 . A A . 4 DTR HD1 1 1
5 508 1 1 4 DTR HE1 H -0.122 3.466 -9.583 1.00 . A A . 4 DTR HE1 1 1
5 509 1 1 4 DTR HE3 H 1.025 8.288 -7.239 1.00 . A A . 4 DTR HE3 1 1
5 510 1 1 4 DTR HH2 H 2.917 7.277 -11.011 1.00 . A A . 4 DTR HH2 1 1
5 511 1 1 4 DTR HZ2 H 1.724 5.056 -11.069 1.00 . A A . 4 DTR HZ2 1 1
5 512 1 1 4 DTR HZ3 H 2.550 8.808 -9.142 1.00 . A A . 4 DTR HZ3 1 1
5 513 1 1 4 DTR N N 1.060 5.739 -4.583 1.00 . A A . 4 DTR N 1 1
5 514 1 1 4 DTR NE1 N -0.052 4.345 -8.942 1.00 . A A . 4 DTR NE1 1 1
5 515 1 1 4 DTR O O -1.791 7.135 -3.354 1.00 . A A . 4 DTR O 1 1
5 516 1 1 5 ASP C C -0.791 7.661 -0.793 1.00 . A A . 5 ASP C 1 1
5 517 1 1 5 ASP CA C -0.918 6.145 -0.917 1.00 . A A . 5 ASP CA 1 1
5 518 1 1 5 ASP CB C -0.102 5.461 0.181 1.00 . A A . 5 ASP CB 1 1
5 519 1 1 5 ASP CG C -0.681 4.119 0.582 1.00 . A A . 5 ASP CG 1 1
5 520 1 1 5 ASP H H 0.186 4.975 -2.292 1.00 . A A . 5 ASP H 1 1
5 521 1 1 5 ASP HA H -1.957 5.873 -0.803 1.00 . A A . 5 ASP HA 1 1
5 522 1 1 5 ASP HB2 H 0.907 5.306 -0.173 1.00 . A A . 5 ASP HB2 1 1
5 523 1 1 5 ASP HB3 H -0.079 6.098 1.053 1.00 . A A . 5 ASP HB3 1 1
5 524 1 1 5 ASP N N -0.478 5.693 -2.231 1.00 . A A . 5 ASP N 1 1
5 525 1 1 5 ASP O O -0.054 8.309 -1.536 1.00 . A A . 5 ASP O 1 1
5 526 1 1 5 ASP OD1 O -1.909 3.938 0.445 1.00 . A A . 5 ASP OD1 1 1
5 527 1 1 5 ASP OD2 O 0.093 3.249 1.034 1.00 . A A . 5 ASP OD2 1 1
5 528 1 1 6 PRO C C -0.107 10.222 0.643 1.00 . A A . 6 PRO C 1 1
5 529 1 1 6 PRO CA C -1.515 9.685 0.410 1.00 . A A . 6 PRO CA 1 1
5 530 1 1 6 PRO CB C -2.362 9.839 1.676 1.00 . A A . 6 PRO CB 1 1
5 531 1 1 6 PRO CD C -2.429 7.528 1.089 1.00 . A A . 6 PRO CD 1 1
5 532 1 1 6 PRO CG C -2.129 8.583 2.443 1.00 . A A . 6 PRO CG 1 1
5 533 1 1 6 PRO HA H -1.976 10.228 -0.401 1.00 . A A . 6 PRO HA 1 1
5 534 1 1 6 PRO HB2 H -2.032 10.707 2.230 1.00 . A A . 6 PRO HB2 1 1
5 535 1 1 6 PRO HB3 H -3.401 9.950 1.407 1.00 . A A . 6 PRO HB3 1 1
5 536 1 1 6 PRO HD2 H -1.932 6.680 1.536 1.00 . A A . 6 PRO HD2 1 1
5 537 1 1 6 PRO HD3 H -3.330 7.216 0.582 1.00 . A A . 6 PRO HD3 1 1
5 538 1 1 6 PRO HG2 H -1.105 8.543 2.781 1.00 . A A . 6 PRO HG2 1 1
5 539 1 1 6 PRO HG3 H -2.805 8.536 3.284 1.00 . A A . 6 PRO HG3 1 1
5 540 1 1 6 PRO N N -1.528 8.240 0.167 1.00 . A A . 6 PRO N 1 1
5 541 1 1 6 PRO O O 0.146 11.417 0.488 1.00 . A A . 6 PRO O 1 1
5 542 1 1 7 TRP C C 3.047 9.519 0.023 1.00 . A A . 7 TRP C 1 1
5 543 1 1 7 TRP CA C 2.190 9.717 1.268 1.00 . A A . 7 TRP CA 1 1
5 544 1 1 7 TRP CB C 2.762 8.904 2.431 1.00 . A A . 7 TRP CB 1 1
5 545 1 1 7 TRP CD1 C 4.409 9.818 4.169 1.00 . A A . 7 TRP CD1 1 1
5 546 1 1 7 TRP CD2 C 2.333 10.639 4.347 1.00 . A A . 7 TRP CD2 1 1
5 547 1 1 7 TRP CE2 C 3.132 11.217 5.353 1.00 . A A . 7 TRP CE2 1 1
5 548 1 1 7 TRP CE3 C 0.987 11.007 4.262 1.00 . A A . 7 TRP CE3 1 1
5 549 1 1 7 TRP CG C 3.169 9.748 3.601 1.00 . A A . 7 TRP CG 1 1
5 550 1 1 7 TRP CH2 C 1.308 12.482 6.159 1.00 . A A . 7 TRP CH2 1 1
5 551 1 1 7 TRP CZ2 C 2.629 12.140 6.265 1.00 . A A . 7 TRP CZ2 1 1
5 552 1 1 7 TRP CZ3 C 0.489 11.923 5.168 1.00 . A A . 7 TRP CZ3 1 1
5 553 1 1 7 TRP H H 0.544 8.393 1.121 1.00 . A A . 7 TRP H 1 1
5 554 1 1 7 TRP HA H 2.198 10.764 1.534 1.00 . A A . 7 TRP HA 1 1
5 555 1 1 7 TRP HB2 H 2.018 8.200 2.770 1.00 . A A . 7 TRP HB2 1 1
5 556 1 1 7 TRP HB3 H 3.634 8.365 2.089 1.00 . A A . 7 TRP HB3 1 1
5 557 1 1 7 TRP HD1 H 5.265 9.255 3.831 1.00 . A A . 7 TRP HD1 1 1
5 558 1 1 7 TRP HE1 H 5.163 10.921 5.790 1.00 . A A . 7 TRP HE1 1 1
5 559 1 1 7 TRP HE3 H 0.340 10.588 3.506 1.00 . A A . 7 TRP HE3 1 1
5 560 1 1 7 TRP HH2 H 0.876 13.193 6.845 1.00 . A A . 7 TRP HH2 1 1
5 561 1 1 7 TRP HZ2 H 3.247 12.580 7.034 1.00 . A A . 7 TRP HZ2 1 1
5 562 1 1 7 TRP HZ3 H -0.549 12.219 5.118 1.00 . A A . 7 TRP HZ3 1 1
5 563 1 1 7 TRP N N 0.806 9.332 1.015 1.00 . A A . 7 TRP N 1 1
5 564 1 1 7 TRP NE1 N 4.394 10.699 5.224 1.00 . A A . 7 TRP NE1 1 1
5 565 1 1 7 TRP O O 4.268 9.386 0.112 1.00 . A A . 7 TRP O 1 1
5 566 1 1 8 CYS C C 2.392 10.057 -3.532 1.00 . A A . 8 CYS C 1 1
5 567 1 1 8 CYS CA C 3.103 9.317 -2.402 1.00 . A A . 8 CYS CA 1 1
5 568 1 1 8 CYS CB C 3.210 7.829 -2.741 1.00 . A A . 8 CYS CB 1 1
5 569 1 1 8 CYS H H 1.426 9.611 -1.145 1.00 . A A . 8 CYS H 1 1
5 570 1 1 8 CYS HA H 4.097 9.724 -2.292 1.00 . A A . 8 CYS HA 1 1
5 571 1 1 8 CYS HB2 H 2.257 7.356 -2.553 1.00 . A A . 8 CYS HB2 1 1
5 572 1 1 8 CYS HB3 H 3.459 7.722 -3.786 1.00 . A A . 8 CYS HB3 1 1
5 573 1 1 8 CYS N N 2.401 9.500 -1.138 1.00 . A A . 8 CYS N 1 1
5 574 1 1 8 CYS O O 3.011 10.821 -4.272 1.00 . A A . 8 CYS O 1 1
5 575 1 1 8 CYS SG S 4.470 6.936 -1.775 1.00 . A A . 8 CYS SG 1 1
6 576 1 1 1 GLY C C 2.102 1.273 -2.140 1.00 . A A . 1 GLY C 1 1
6 577 1 1 1 GLY CA C 1.961 0.031 -1.283 1.00 . A A . 1 GLY CA 1 1
6 578 1 1 1 GLY H1 H 1.540 -0.109 0.788 1.00 . A A . 1 GLY H1 1 1
6 579 1 1 1 GLY HA2 H 2.945 -0.336 -1.034 1.00 . A A . 1 GLY HA2 1 1
6 580 1 1 1 GLY HA3 H 1.438 -0.725 -1.849 1.00 . A A . 1 GLY HA3 1 1
6 581 1 1 1 GLY N N 1.230 0.285 -0.055 1.00 . A A . 1 GLY N 1 1
6 582 1 1 1 GLY O O 1.171 1.658 -2.847 1.00 . A A . 1 GLY O 1 1
6 583 1 1 2 CYS C C 4.126 2.764 -4.215 1.00 . A A . 2 CYS C 1 1
6 584 1 1 2 CYS CA C 3.531 3.110 -2.853 1.00 . A A . 2 CYS CA 1 1
6 585 1 1 2 CYS CB C 4.481 4.036 -2.090 1.00 . A A . 2 CYS CB 1 1
6 586 1 1 2 CYS H H 3.975 1.548 -1.496 1.00 . A A . 2 CYS H 1 1
6 587 1 1 2 CYS HA H 2.591 3.618 -3.003 1.00 . A A . 2 CYS HA 1 1
6 588 1 1 2 CYS HB2 H 5.022 3.458 -1.356 1.00 . A A . 2 CYS HB2 1 1
6 589 1 1 2 CYS HB3 H 5.182 4.472 -2.786 1.00 . A A . 2 CYS HB3 1 1
6 590 1 1 2 CYS N N 3.271 1.903 -2.078 1.00 . A A . 2 CYS N 1 1
6 591 1 1 2 CYS O O 4.707 1.697 -4.414 1.00 . A A . 2 CYS O 1 1
6 592 1 1 2 CYS SG S 3.646 5.399 -1.215 1.00 . A A . 2 CYS SG 1 1
6 593 1 1 3 PRO C C 1.772 4.814 -4.999 1.00 . A A . 3 PRO C 1 1
6 594 1 1 3 PRO CA C 3.289 4.961 -4.952 1.00 . A A . 3 PRO CA 1 1
6 595 1 1 3 PRO CB C 3.777 5.837 -6.108 1.00 . A A . 3 PRO CB 1 1
6 596 1 1 3 PRO CD C 4.474 3.559 -6.558 1.00 . A A . 3 PRO CD 1 1
6 597 1 1 3 PRO CG C 5.126 5.303 -6.446 1.00 . A A . 3 PRO CG 1 1
6 598 1 1 3 PRO HA H 3.577 5.408 -4.012 1.00 . A A . 3 PRO HA 1 1
6 599 1 1 3 PRO HB2 H 3.096 5.749 -6.943 1.00 . A A . 3 PRO HB2 1 1
6 600 1 1 3 PRO HB3 H 3.829 6.867 -5.787 1.00 . A A . 3 PRO HB3 1 1
6 601 1 1 3 PRO HD2 H 3.674 3.288 -7.231 1.00 . A A . 3 PRO HD2 1 1
6 602 1 1 3 PRO HD3 H 5.277 2.838 -6.613 1.00 . A A . 3 PRO HD3 1 1
6 603 1 1 3 PRO HG2 H 5.373 5.548 -7.467 1.00 . A A . 3 PRO HG2 1 1
6 604 1 1 3 PRO HG3 H 5.862 5.714 -5.771 1.00 . A A . 3 PRO HG3 1 1
6 605 1 1 3 PRO N N 3.979 3.687 -5.177 1.00 . A A . 3 PRO N 1 1
6 606 1 1 3 PRO O O 1.280 3.791 -5.473 1.00 . A A . 3 PRO O 1 1
6 607 1 1 4 DTR C C -0.865 6.527 -3.250 1.00 . A A . 4 DTR C 1 1
6 608 1 1 4 DTR CA C -0.382 5.797 -4.505 1.00 . A A . 4 DTR CA 1 1
6 609 1 1 4 DTR CB C -0.949 6.390 -5.796 1.00 . A A . 4 DTR CB 1 1
6 610 1 1 4 DTR CD1 C -0.916 4.393 -7.430 1.00 . A A . 4 DTR CD1 1 1
6 611 1 1 4 DTR CD2 C 0.318 6.101 -8.113 1.00 . A A . 4 DTR CD2 1 1
6 612 1 1 4 DTR CE2 C 0.421 5.110 -9.067 1.00 . A A . 4 DTR CE2 1 1
6 613 1 1 4 DTR CE3 C 0.991 7.327 -8.254 1.00 . A A . 4 DTR CE3 1 1
6 614 1 1 4 DTR CG C -0.548 5.627 -7.060 1.00 . A A . 4 DTR CG 1 1
6 615 1 1 4 DTR CH2 C 1.870 6.455 -10.391 1.00 . A A . 4 DTR CH2 1 1
6 616 1 1 4 DTR CZ2 C 1.190 5.242 -10.230 1.00 . A A . 4 DTR CZ2 1 1
6 617 1 1 4 DTR CZ3 C 1.756 7.444 -9.421 1.00 . A A . 4 DTR CZ3 1 1
6 618 1 1 4 DTR H H 1.478 6.656 -4.128 1.00 . A A . 4 DTR H 1 1
6 619 1 1 4 DTR HA H -0.694 4.753 -4.472 1.00 . A A . 4 DTR HA 1 1
6 620 1 1 4 DTR HB2 H -0.614 7.424 -5.887 1.00 . A A . 4 DTR HB2 1 1
6 621 1 1 4 DTR HB3 H -2.037 6.413 -5.727 1.00 . A A . 4 DTR HB3 1 1
6 622 1 1 4 DTR HD1 H -1.577 3.750 -6.849 1.00 . A A . 4 DTR HD1 1 1
6 623 1 1 4 DTR HE1 H -0.490 3.091 -9.161 1.00 . A A . 4 DTR HE1 1 1
6 624 1 1 4 DTR HE3 H 0.926 8.125 -7.515 1.00 . A A . 4 DTR HE3 1 1
6 625 1 1 4 DTR HH2 H 2.487 6.624 -11.274 1.00 . A A . 4 DTR HH2 1 1
6 626 1 1 4 DTR HZ2 H 1.256 4.444 -10.969 1.00 . A A . 4 DTR HZ2 1 1
6 627 1 1 4 DTR HZ3 H 2.299 8.375 -9.580 1.00 . A A . 4 DTR HZ3 1 1
6 628 1 1 4 DTR N N 1.070 5.827 -4.512 1.00 . A A . 4 DTR N 1 1
6 629 1 1 4 DTR NE1 N -0.353 4.038 -8.639 1.00 . A A . 4 DTR NE1 1 1
6 630 1 1 4 DTR O O -1.655 7.469 -3.306 1.00 . A A . 4 DTR O 1 1
6 631 1 1 5 ASP C C -0.523 8.170 -0.844 1.00 . A A . 5 ASP C 1 1
6 632 1 1 5 ASP CA C -0.728 6.658 -0.824 1.00 . A A . 5 ASP CA 1 1
6 633 1 1 5 ASP CB C 0.100 6.034 0.300 1.00 . A A . 5 ASP CB 1 1
6 634 1 1 5 ASP CG C -0.540 4.781 0.864 1.00 . A A . 5 ASP CG 1 1
6 635 1 1 5 ASP H H 0.260 5.314 -2.127 1.00 . A A . 5 ASP H 1 1
6 636 1 1 5 ASP HA H -1.772 6.452 -0.646 1.00 . A A . 5 ASP HA 1 1
6 637 1 1 5 ASP HB2 H 1.077 5.775 -0.082 1.00 . A A . 5 ASP HB2 1 1
6 638 1 1 5 ASP HB3 H 0.210 6.752 1.100 1.00 . A A . 5 ASP HB3 1 1
6 639 1 1 5 ASP N N -0.367 6.068 -2.107 1.00 . A A . 5 ASP N 1 1
6 640 1 1 5 ASP O O 0.212 8.710 -1.670 1.00 . A A . 5 ASP O 1 1
6 641 1 1 5 ASP OD1 O -0.642 3.782 0.123 1.00 . A A . 5 ASP OD1 1 1
6 642 1 1 5 ASP OD2 O -0.942 4.800 2.047 1.00 . A A . 5 ASP OD2 1 1
6 643 1 1 6 PRO C C 0.344 10.810 0.326 1.00 . A A . 6 PRO C 1 1
6 644 1 1 6 PRO CA C -1.097 10.329 0.196 1.00 . A A . 6 PRO CA 1 1
6 645 1 1 6 PRO CB C -1.882 10.639 1.473 1.00 . A A . 6 PRO CB 1 1
6 646 1 1 6 PRO CD C -2.083 8.291 1.103 1.00 . A A . 6 PRO CD 1 1
6 647 1 1 6 PRO CG C -1.835 9.377 2.262 1.00 . A A . 6 PRO CG 1 1
6 648 1 1 6 PRO HA H -1.564 10.820 -0.645 1.00 . A A . 6 PRO HA 1 1
6 649 1 1 6 PRO HB2 H -1.407 11.454 2.001 1.00 . A A . 6 PRO HB2 1 1
6 650 1 1 6 PRO HB3 H -2.896 10.909 1.220 1.00 . A A . 6 PRO HB3 1 1
6 651 1 1 6 PRO HD2 H -1.610 7.461 1.606 1.00 . A A . 6 PRO HD2 1 1
6 652 1 1 6 PRO HD3 H -3.020 7.984 0.662 1.00 . A A . 6 PRO HD3 1 1
6 653 1 1 6 PRO HG2 H -0.818 9.163 2.553 1.00 . A A . 6 PRO HG2 1 1
6 654 1 1 6 PRO HG3 H -2.466 9.466 3.135 1.00 . A A . 6 PRO HG3 1 1
6 655 1 1 6 PRO N N -1.189 8.870 0.086 1.00 . A A . 6 PRO N 1 1
6 656 1 1 6 PRO O O 0.647 11.972 0.055 1.00 . A A . 6 PRO O 1 1
6 657 1 1 7 TRP C C 3.432 9.893 -0.345 1.00 . A A . 7 TRP C 1 1
6 658 1 1 7 TRP CA C 2.638 10.245 0.909 1.00 . A A . 7 TRP CA 1 1
6 659 1 1 7 TRP CB C 3.219 9.509 2.118 1.00 . A A . 7 TRP CB 1 1
6 660 1 1 7 TRP CD1 C 3.221 11.336 3.916 1.00 . A A . 7 TRP CD1 1 1
6 661 1 1 7 TRP CD2 C 1.970 9.548 4.421 1.00 . A A . 7 TRP CD2 1 1
6 662 1 1 7 TRP CE2 C 1.886 10.469 5.483 1.00 . A A . 7 TRP CE2 1 1
6 663 1 1 7 TRP CE3 C 1.263 8.346 4.515 1.00 . A A . 7 TRP CE3 1 1
6 664 1 1 7 TRP CG C 2.828 10.122 3.429 1.00 . A A . 7 TRP CG 1 1
6 665 1 1 7 TRP CH2 C 0.443 9.040 6.688 1.00 . A A . 7 TRP CH2 1 1
6 666 1 1 7 TRP CZ2 C 1.125 10.224 6.623 1.00 . A A . 7 TRP CZ2 1 1
6 667 1 1 7 TRP CZ3 C 0.508 8.104 5.647 1.00 . A A . 7 TRP CZ3 1 1
6 668 1 1 7 TRP H H 0.925 9.000 0.944 1.00 . A A . 7 TRP H 1 1
6 669 1 1 7 TRP HA H 2.708 11.309 1.078 1.00 . A A . 7 TRP HA 1 1
6 670 1 1 7 TRP HB2 H 2.871 8.487 2.111 1.00 . A A . 7 TRP HB2 1 1
6 671 1 1 7 TRP HB3 H 4.297 9.520 2.052 1.00 . A A . 7 TRP HB3 1 1
6 672 1 1 7 TRP HD1 H 3.879 12.015 3.396 1.00 . A A . 7 TRP HD1 1 1
6 673 1 1 7 TRP HE1 H 2.788 12.351 5.703 1.00 . A A . 7 TRP HE1 1 1
6 674 1 1 7 TRP HE3 H 1.300 7.613 3.723 1.00 . A A . 7 TRP HE3 1 1
6 675 1 1 7 TRP HH2 H -0.159 8.809 7.553 1.00 . A A . 7 TRP HH2 1 1
6 676 1 1 7 TRP HZ2 H 1.064 10.936 7.433 1.00 . A A . 7 TRP HZ2 1 1
6 677 1 1 7 TRP HZ3 H -0.045 7.181 5.737 1.00 . A A . 7 TRP HZ3 1 1
6 678 1 1 7 TRP N N 1.228 9.911 0.743 1.00 . A A . 7 TRP N 1 1
6 679 1 1 7 TRP NE1 N 2.658 11.551 5.151 1.00 . A A . 7 TRP NE1 1 1
6 680 1 1 7 TRP O O 4.648 9.707 -0.290 1.00 . A A . 7 TRP O 1 1
6 681 1 1 8 CYS C C 2.655 10.146 -3.906 1.00 . A A . 8 CYS C 1 1
6 682 1 1 8 CYS CA C 3.377 9.474 -2.742 1.00 . A A . 8 CYS CA 1 1
6 683 1 1 8 CYS CB C 3.398 7.958 -2.947 1.00 . A A . 8 CYS CB 1 1
6 684 1 1 8 CYS H H 1.769 9.963 -1.454 1.00 . A A . 8 CYS H 1 1
6 685 1 1 8 CYS HA H 4.392 9.838 -2.706 1.00 . A A . 8 CYS HA 1 1
6 686 1 1 8 CYS HB2 H 2.432 7.553 -2.684 1.00 . A A . 8 CYS HB2 1 1
6 687 1 1 8 CYS HB3 H 3.600 7.746 -3.987 1.00 . A A . 8 CYS HB3 1 1
6 688 1 1 8 CYS N N 2.737 9.804 -1.474 1.00 . A A . 8 CYS N 1 1
6 689 1 1 8 CYS O O 3.146 10.149 -5.035 1.00 . A A . 8 CYS O 1 1
6 690 1 1 8 CYS SG S 4.651 7.090 -1.950 1.00 . A A . 8 CYS SG 1 1
7 691 1 1 1 GLY C C 2.205 1.746 -1.253 1.00 . A A . 1 GLY C 1 1
7 692 1 1 1 GLY CA C 2.031 0.445 -0.495 1.00 . A A . 1 GLY CA 1 1
7 693 1 1 1 GLY H1 H 2.766 1.258 1.316 1.00 . A A . 1 GLY H1 1 1
7 694 1 1 1 GLY HA2 H 2.797 -0.248 -0.810 1.00 . A A . 1 GLY HA2 1 1
7 695 1 1 1 GLY HA3 H 1.063 0.029 -0.736 1.00 . A A . 1 GLY HA3 1 1
7 696 1 1 1 GLY N N 2.120 0.623 0.942 1.00 . A A . 1 GLY N 1 1
7 697 1 1 1 GLY O O 1.421 2.681 -1.085 1.00 . A A . 1 GLY O 1 1
7 698 1 1 2 CYS C C 4.106 2.641 -4.230 1.00 . A A . 2 CYS C 1 1
7 699 1 1 2 CYS CA C 3.515 3.006 -2.872 1.00 . A A . 2 CYS CA 1 1
7 700 1 1 2 CYS CB C 4.475 3.926 -2.115 1.00 . A A . 2 CYS CB 1 1
7 701 1 1 2 CYS H H 3.828 1.031 -2.178 1.00 . A A . 2 CYS H 1 1
7 702 1 1 2 CYS HA H 2.581 3.525 -3.027 1.00 . A A . 2 CYS HA 1 1
7 703 1 1 2 CYS HB2 H 5.008 3.347 -1.375 1.00 . A A . 2 CYS HB2 1 1
7 704 1 1 2 CYS HB3 H 5.183 4.347 -2.814 1.00 . A A . 2 CYS HB3 1 1
7 705 1 1 2 CYS N N 3.237 1.809 -2.087 1.00 . A A . 2 CYS N 1 1
7 706 1 1 2 CYS O O 4.676 1.566 -4.418 1.00 . A A . 2 CYS O 1 1
7 707 1 1 2 CYS SG S 3.658 5.307 -1.253 1.00 . A A . 2 CYS SG 1 1
7 708 1 1 3 PRO C C 1.774 4.710 -5.044 1.00 . A A . 3 PRO C 1 1
7 709 1 1 3 PRO CA C 3.292 4.840 -4.988 1.00 . A A . 3 PRO CA 1 1
7 710 1 1 3 PRO CB C 3.797 5.704 -6.147 1.00 . A A . 3 PRO CB 1 1
7 711 1 1 3 PRO CD C 4.463 3.410 -6.580 1.00 . A A . 3 PRO CD 1 1
7 712 1 1 3 PRO CG C 3.511 4.902 -7.370 1.00 . A A . 3 PRO CG 1 1
7 713 1 1 3 PRO HA H 3.580 5.290 -4.049 1.00 . A A . 3 PRO HA 1 1
7 714 1 1 3 PRO HB2 H 3.265 6.645 -6.156 1.00 . A A . 3 PRO HB2 1 1
7 715 1 1 3 PRO HB3 H 4.856 5.883 -6.031 1.00 . A A . 3 PRO HB3 1 1
7 716 1 1 3 PRO HD2 H 3.963 2.597 -7.084 1.00 . A A . 3 PRO HD2 1 1
7 717 1 1 3 PRO HD3 H 5.533 3.263 -6.592 1.00 . A A . 3 PRO HD3 1 1
7 718 1 1 3 PRO HG2 H 2.747 4.170 -7.157 1.00 . A A . 3 PRO HG2 1 1
7 719 1 1 3 PRO HG3 H 4.413 4.418 -7.710 1.00 . A A . 3 PRO HG3 1 1
7 720 1 1 3 PRO N N 3.969 3.557 -5.201 1.00 . A A . 3 PRO N 1 1
7 721 1 1 3 PRO O O 1.274 3.669 -5.465 1.00 . A A . 3 PRO O 1 1
7 722 1 1 4 DTR C C -0.857 6.447 -3.359 1.00 . A A . 4 DTR C 1 1
7 723 1 1 4 DTR CA C -0.372 5.748 -4.630 1.00 . A A . 4 DTR CA 1 1
7 724 1 1 4 DTR CB C -0.918 6.386 -5.909 1.00 . A A . 4 DTR CB 1 1
7 725 1 1 4 DTR CD1 C -0.389 4.613 -7.709 1.00 . A A . 4 DTR CD1 1 1
7 726 1 1 4 DTR CD2 C 0.557 6.575 -8.109 1.00 . A A . 4 DTR CD2 1 1
7 727 1 1 4 DTR CE2 C 0.917 5.727 -9.136 1.00 . A A . 4 DTR CE2 1 1
7 728 1 1 4 DTR CE3 C 1.002 7.909 -8.071 1.00 . A A . 4 DTR CE3 1 1
7 729 1 1 4 DTR CG C -0.286 5.846 -7.193 1.00 . A A . 4 DTR CG 1 1
7 730 1 1 4 DTR CH2 C 2.191 7.441 -10.185 1.00 . A A . 4 DTR CH2 1 1
7 731 1 1 4 DTR CZ2 C 1.736 6.117 -10.202 1.00 . A A . 4 DTR CZ2 1 1
7 732 1 1 4 DTR CZ3 C 1.820 8.283 -9.144 1.00 . A A . 4 DTR CZ3 1 1
7 733 1 1 4 DTR H H 1.495 6.602 -4.281 1.00 . A A . 4 DTR H 1 1
7 734 1 1 4 DTR HA H -0.697 4.707 -4.631 1.00 . A A . 4 DTR HA 1 1
7 735 1 1 4 DTR HB2 H -0.758 7.463 -5.863 1.00 . A A . 4 DTR HB2 1 1
7 736 1 1 4 DTR HB3 H -1.996 6.225 -5.951 1.00 . A A . 4 DTR HB3 1 1
7 737 1 1 4 DTR HD1 H -0.964 3.805 -7.256 1.00 . A A . 4 DTR HD1 1 1
7 738 1 1 4 DTR HE1 H 0.404 3.601 -9.504 1.00 . A A . 4 DTR HE1 1 1
7 739 1 1 4 DTR HE3 H 0.733 8.598 -7.271 1.00 . A A . 4 DTR HE3 1 1
7 740 1 1 4 DTR HH2 H 2.833 7.809 -10.985 1.00 . A A . 4 DTR HH2 1 1
7 741 1 1 4 DTR HZ2 H 2.006 5.427 -11.002 1.00 . A A . 4 DTR HZ2 1 1
7 742 1 1 4 DTR HZ3 H 2.193 9.307 -9.163 1.00 . A A . 4 DTR HZ3 1 1
7 743 1 1 4 DTR N N 1.081 5.758 -4.623 1.00 . A A . 4 DTR N 1 1
7 744 1 1 4 DTR NE1 N 0.323 4.495 -8.885 1.00 . A A . 4 DTR NE1 1 1
7 745 1 1 4 DTR O O -1.648 7.390 -3.394 1.00 . A A . 4 DTR O 1 1
7 746 1 1 5 ASP C C -0.521 8.031 -0.913 1.00 . A A . 5 ASP C 1 1
7 747 1 1 5 ASP CA C -0.726 6.519 -0.930 1.00 . A A . 5 ASP CA 1 1
7 748 1 1 5 ASP CB C 0.101 5.868 0.180 1.00 . A A . 5 ASP CB 1 1
7 749 1 1 5 ASP CG C -0.716 4.909 1.023 1.00 . A A . 5 ASP CG 1 1
7 750 1 1 5 ASP H H 0.265 5.207 -2.264 1.00 . A A . 5 ASP H 1 1
7 751 1 1 5 ASP HA H -1.770 6.308 -0.759 1.00 . A A . 5 ASP HA 1 1
7 752 1 1 5 ASP HB2 H 0.919 5.320 -0.263 1.00 . A A . 5 ASP HB2 1 1
7 753 1 1 5 ASP HB3 H 0.496 6.639 0.825 1.00 . A A . 5 ASP HB3 1 1
7 754 1 1 5 ASP N N -0.361 5.960 -2.227 1.00 . A A . 5 ASP N 1 1
7 755 1 1 5 ASP O O 0.216 8.591 -1.725 1.00 . A A . 5 ASP O 1 1
7 756 1 1 5 ASP OD1 O -1.298 3.964 0.451 1.00 . A A . 5 ASP OD1 1 1
7 757 1 1 5 ASP OD2 O -0.775 5.104 2.256 1.00 . A A . 5 ASP OD2 1 1
7 758 1 1 6 PRO C C 0.342 10.643 0.320 1.00 . A A . 6 PRO C 1 1
7 759 1 1 6 PRO CA C -1.099 10.164 0.177 1.00 . A A . 6 PRO CA 1 1
7 760 1 1 6 PRO CB C -1.885 10.443 1.460 1.00 . A A . 6 PRO CB 1 1
7 761 1 1 6 PRO CD C -2.086 8.105 1.032 1.00 . A A . 6 PRO CD 1 1
7 762 1 1 6 PRO CG C -1.995 9.119 2.132 1.00 . A A . 6 PRO CG 1 1
7 763 1 1 6 PRO HA H -1.566 10.675 -0.652 1.00 . A A . 6 PRO HA 1 1
7 764 1 1 6 PRO HB2 H -1.344 11.153 2.069 1.00 . A A . 6 PRO HB2 1 1
7 765 1 1 6 PRO HB3 H -2.858 10.841 1.211 1.00 . A A . 6 PRO HB3 1 1
7 766 1 1 6 PRO HD2 H -1.614 7.263 1.516 1.00 . A A . 6 PRO HD2 1 1
7 767 1 1 6 PRO HD3 H -3.022 7.808 0.581 1.00 . A A . 6 PRO HD3 1 1
7 768 1 1 6 PRO HG2 H -1.069 8.883 2.634 1.00 . A A . 6 PRO HG2 1 1
7 769 1 1 6 PRO HG3 H -2.812 9.132 2.838 1.00 . A A . 6 PRO HG3 1 1
7 770 1 1 6 PRO N N -1.190 8.708 0.032 1.00 . A A . 6 PRO N 1 1
7 771 1 1 6 PRO O O 0.645 11.811 0.076 1.00 . A A . 6 PRO O 1 1
7 772 1 1 7 TRP C C 3.431 9.744 -0.366 1.00 . A A . 7 TRP C 1 1
7 773 1 1 7 TRP CA C 2.635 10.065 0.894 1.00 . A A . 7 TRP CA 1 1
7 774 1 1 7 TRP CB C 3.214 9.302 2.086 1.00 . A A . 7 TRP CB 1 1
7 775 1 1 7 TRP CD1 C 3.646 11.045 3.915 1.00 . A A . 7 TRP CD1 1 1
7 776 1 1 7 TRP CD2 C 1.971 9.628 4.369 1.00 . A A . 7 TRP CD2 1 1
7 777 1 1 7 TRP CE2 C 2.104 10.528 5.445 1.00 . A A . 7 TRP CE2 1 1
7 778 1 1 7 TRP CE3 C 0.980 8.646 4.431 1.00 . A A . 7 TRP CE3 1 1
7 779 1 1 7 TRP CG C 2.967 9.977 3.401 1.00 . A A . 7 TRP CG 1 1
7 780 1 1 7 TRP CH2 C 0.320 9.499 6.602 1.00 . A A . 7 TRP CH2 1 1
7 781 1 1 7 TRP CZ2 C 1.283 10.471 6.568 1.00 . A A . 7 TRP CZ2 1 1
7 782 1 1 7 TRP CZ3 C 0.166 8.590 5.546 1.00 . A A . 7 TRP CZ3 1 1
7 783 1 1 7 TRP H H 0.923 8.820 0.898 1.00 . A A . 7 TRP H 1 1
7 784 1 1 7 TRP HA H 2.704 11.125 1.089 1.00 . A A . 7 TRP HA 1 1
7 785 1 1 7 TRP HB2 H 2.769 8.319 2.127 1.00 . A A . 7 TRP HB2 1 1
7 786 1 1 7 TRP HB3 H 4.283 9.204 1.956 1.00 . A A . 7 TRP HB3 1 1
7 787 1 1 7 TRP HD1 H 4.465 11.540 3.417 1.00 . A A . 7 TRP HD1 1 1
7 788 1 1 7 TRP HE1 H 3.451 12.114 5.712 1.00 . A A . 7 TRP HE1 1 1
7 789 1 1 7 TRP HE3 H 0.845 7.937 3.628 1.00 . A A . 7 TRP HE3 1 1
7 790 1 1 7 TRP HH2 H -0.338 9.418 7.454 1.00 . A A . 7 TRP HH2 1 1
7 791 1 1 7 TRP HZ2 H 1.389 11.164 7.390 1.00 . A A . 7 TRP HZ2 1 1
7 792 1 1 7 TRP HZ3 H -0.606 7.837 5.612 1.00 . A A . 7 TRP HZ3 1 1
7 793 1 1 7 TRP N N 1.225 9.735 0.718 1.00 . A A . 7 TRP N 1 1
7 794 1 1 7 TRP NE1 N 3.132 11.381 5.144 1.00 . A A . 7 TRP NE1 1 1
7 795 1 1 7 TRP O O 4.649 9.569 -0.316 1.00 . A A . 7 TRP O 1 1
7 796 1 1 8 CYS C C 2.648 10.055 -3.922 1.00 . A A . 8 CYS C 1 1
7 797 1 1 8 CYS CA C 3.377 9.368 -2.771 1.00 . A A . 8 CYS CA 1 1
7 798 1 1 8 CYS CB C 3.412 7.856 -3.004 1.00 . A A . 8 CYS CB 1 1
7 799 1 1 8 CYS H H 1.766 9.818 -1.473 1.00 . A A . 8 CYS H 1 1
7 800 1 1 8 CYS HA H 4.389 9.740 -2.729 1.00 . A A . 8 CYS HA 1 1
7 801 1 1 8 CYS HB2 H 2.448 7.438 -2.751 1.00 . A A . 8 CYS HB2 1 1
7 802 1 1 8 CYS HB3 H 3.619 7.665 -4.047 1.00 . A A . 8 CYS HB3 1 1
7 803 1 1 8 CYS N N 2.736 9.668 -1.496 1.00 . A A . 8 CYS N 1 1
7 804 1 1 8 CYS O O 1.858 9.430 -4.630 1.00 . A A . 8 CYS O 1 1
7 805 1 1 8 CYS SG S 4.670 6.981 -2.019 1.00 . A A . 8 CYS SG 1 1
8 806 1 1 1 GLY C C 2.385 1.297 -1.402 1.00 . A A . 1 GLY C 1 1
8 807 1 1 1 GLY CA C 2.358 0.045 -0.549 1.00 . A A . 1 GLY CA 1 1
8 808 1 1 1 GLY H1 H 0.474 -0.477 -1.363 1.00 . A A . 1 GLY H1 1 1
8 809 1 1 1 GLY HA2 H 2.560 0.316 0.477 1.00 . A A . 1 GLY HA2 1 1
8 810 1 1 1 GLY HA3 H 3.131 -0.627 -0.891 1.00 . A A . 1 GLY HA3 1 1
8 811 1 1 1 GLY N N 1.080 -0.641 -0.610 1.00 . A A . 1 GLY N 1 1
8 812 1 1 1 GLY O O 1.375 1.988 -1.537 1.00 . A A . 1 GLY O 1 1
8 813 1 1 2 CYS C C 4.248 2.390 -4.196 1.00 . A A . 2 CYS C 1 1
8 814 1 1 2 CYS CA C 3.702 2.772 -2.823 1.00 . A A . 2 CYS CA 1 1
8 815 1 1 2 CYS CB C 4.636 3.782 -2.154 1.00 . A A . 2 CYS CB 1 1
8 816 1 1 2 CYS H H 4.316 1.003 -1.835 1.00 . A A . 2 CYS H 1 1
8 817 1 1 2 CYS HA H 2.729 3.222 -2.948 1.00 . A A . 2 CYS HA 1 1
8 818 1 1 2 CYS HB2 H 5.243 3.270 -1.422 1.00 . A A . 2 CYS HB2 1 1
8 819 1 1 2 CYS HB3 H 5.278 4.219 -2.904 1.00 . A A . 2 CYS HB3 1 1
8 820 1 1 2 CYS N N 3.545 1.593 -1.979 1.00 . A A . 2 CYS N 1 1
8 821 1 1 2 CYS O O 4.875 1.345 -4.373 1.00 . A A . 2 CYS O 1 1
8 822 1 1 2 CYS SG S 3.773 5.141 -1.302 1.00 . A A . 2 CYS SG 1 1
8 823 1 1 3 PRO C C 1.750 4.274 -4.953 1.00 . A A . 3 PRO C 1 1
8 824 1 1 3 PRO CA C 3.257 4.501 -4.991 1.00 . A A . 3 PRO CA 1 1
8 825 1 1 3 PRO CB C 3.640 5.343 -6.211 1.00 . A A . 3 PRO CB 1 1
8 826 1 1 3 PRO CD C 4.437 3.084 -6.588 1.00 . A A . 3 PRO CD 1 1
8 827 1 1 3 PRO CG C 5.092 5.075 -6.415 1.00 . A A . 3 PRO CG 1 1
8 828 1 1 3 PRO HA H 3.567 5.009 -4.089 1.00 . A A . 3 PRO HA 1 1
8 829 1 1 3 PRO HB2 H 3.056 5.031 -7.065 1.00 . A A . 3 PRO HB2 1 1
8 830 1 1 3 PRO HB3 H 3.457 6.387 -6.004 1.00 . A A . 3 PRO HB3 1 1
8 831 1 1 3 PRO HD2 H 3.587 2.979 -7.245 1.00 . A A . 3 PRO HD2 1 1
8 832 1 1 3 PRO HD3 H 5.098 2.235 -6.684 1.00 . A A . 3 PRO HD3 1 1
8 833 1 1 3 PRO HG2 H 5.219 4.179 -7.004 1.00 . A A . 3 PRO HG2 1 1
8 834 1 1 3 PRO HG3 H 5.584 4.972 -5.461 1.00 . A A . 3 PRO HG3 1 1
8 835 1 1 3 PRO N N 4.004 3.255 -5.191 1.00 . A A . 3 PRO N 1 1
8 836 1 1 3 PRO O O 1.292 3.204 -5.351 1.00 . A A . 3 PRO O 1 1
8 837 1 1 4 DTR C C -0.894 6.003 -3.204 1.00 . A A . 4 DTR C 1 1
8 838 1 1 4 DTR CA C -0.427 5.169 -4.398 1.00 . A A . 4 DTR CA 1 1
8 839 1 1 4 DTR CB C -1.084 5.590 -5.715 1.00 . A A . 4 DTR CB 1 1
8 840 1 1 4 DTR CD1 C -0.577 8.112 -5.922 1.00 . A A . 4 DTR CD1 1 1
8 841 1 1 4 DTR CD2 C 0.350 6.899 -7.527 1.00 . A A . 4 DTR CD2 1 1
8 842 1 1 4 DTR CE2 C 0.696 8.215 -7.753 1.00 . A A . 4 DTR CE2 1 1
8 843 1 1 4 DTR CE3 C 0.787 5.870 -8.380 1.00 . A A . 4 DTR CE3 1 1
8 844 1 1 4 DTR CG C -0.472 6.844 -6.342 1.00 . A A . 4 DTR CG 1 1
8 845 1 1 4 DTR CH2 C 1.940 7.617 -9.692 1.00 . A A . 4 DTR CH2 1 1
8 846 1 1 4 DTR CZ2 C 1.493 8.625 -8.829 1.00 . A A . 4 DTR CZ2 1 1
8 847 1 1 4 DTR CZ3 C 1.583 6.295 -9.450 1.00 . A A . 4 DTR CZ3 1 1
8 848 1 1 4 DTR H H 1.400 6.141 -4.159 1.00 . A A . 4 DTR H 1 1
8 849 1 1 4 DTR HA H -0.677 4.120 -4.240 1.00 . A A . 4 DTR HA 1 1
8 850 1 1 4 DTR HB2 H -2.145 5.765 -5.540 1.00 . A A . 4 DTR HB2 1 1
8 851 1 1 4 DTR HB3 H -1.009 4.767 -6.425 1.00 . A A . 4 DTR HB3 1 1
8 852 1 1 4 DTR HD1 H -1.138 8.422 -5.040 1.00 . A A . 4 DTR HD1 1 1
8 853 1 1 4 DTR HE1 H 0.190 10.058 -6.629 1.00 . A A . 4 DTR HE1 1 1
8 854 1 1 4 DTR HE3 H 0.528 4.823 -8.223 1.00 . A A . 4 DTR HE3 1 1
8 855 1 1 4 DTR HH2 H 2.565 7.867 -10.549 1.00 . A A . 4 DTR HH2 1 1
8 856 1 1 4 DTR HZ2 H 1.752 9.672 -8.986 1.00 . A A . 4 DTR HZ2 1 1
8 857 1 1 4 DTR HZ3 H 1.949 5.537 -10.142 1.00 . A A . 4 DTR HZ3 1 1
8 858 1 1 4 DTR N N 1.019 5.273 -4.481 1.00 . A A . 4 DTR N 1 1
8 859 1 1 4 DTR NE1 N 0.114 8.977 -6.746 1.00 . A A . 4 DTR NE1 1 1
8 860 1 1 4 DTR O O -1.715 6.913 -3.324 1.00 . A A . 4 DTR O 1 1
8 861 1 1 5 ASP C C -0.532 7.880 -0.978 1.00 . A A . 5 ASP C 1 1
8 862 1 1 5 ASP CA C -0.690 6.372 -0.807 1.00 . A A . 5 ASP CA 1 1
8 863 1 1 5 ASP CB C 0.189 5.882 0.344 1.00 . A A . 5 ASP CB 1 1
8 864 1 1 5 ASP CG C -0.454 4.752 1.124 1.00 . A A . 5 ASP CG 1 1
8 865 1 1 5 ASP H H 0.300 4.936 -2.007 1.00 . A A . 5 ASP H 1 1
8 866 1 1 5 ASP HA H -1.722 6.155 -0.577 1.00 . A A . 5 ASP HA 1 1
8 867 1 1 5 ASP HB2 H 1.130 5.530 -0.054 1.00 . A A . 5 ASP HB2 1 1
8 868 1 1 5 ASP HB3 H 0.375 6.703 1.021 1.00 . A A . 5 ASP HB3 1 1
8 869 1 1 5 ASP N N -0.349 5.671 -2.039 1.00 . A A . 5 ASP N 1 1
8 870 1 1 5 ASP O O 0.162 8.358 -1.876 1.00 . A A . 5 ASP O 1 1
8 871 1 1 5 ASP OD1 O -0.935 3.791 0.488 1.00 . A A . 5 ASP OD1 1 1
8 872 1 1 5 ASP OD2 O -0.476 4.829 2.370 1.00 . A A . 5 ASP OD2 1 1
8 873 1 1 6 PRO C C 0.290 10.643 -0.095 1.00 . A A . 6 PRO C 1 1
8 874 1 1 6 PRO CA C -1.139 10.113 -0.132 1.00 . A A . 6 PRO CA 1 1
8 875 1 1 6 PRO CB C -1.894 10.524 1.135 1.00 . A A . 6 PRO CB 1 1
8 876 1 1 6 PRO CD C -2.036 8.146 0.998 1.00 . A A . 6 PRO CD 1 1
8 877 1 1 6 PRO CG C -1.992 9.274 1.940 1.00 . A A . 6 PRO CG 1 1
8 878 1 1 6 PRO HA H -1.646 10.508 -1.000 1.00 . A A . 6 PRO HA 1 1
8 879 1 1 6 PRO HB2 H -1.337 11.289 1.657 1.00 . A A . 6 PRO HB2 1 1
8 880 1 1 6 PRO HB3 H -2.871 10.899 0.870 1.00 . A A . 6 PRO HB3 1 1
8 881 1 1 6 PRO HD2 H -1.522 7.382 1.562 1.00 . A A . 6 PRO HD2 1 1
8 882 1 1 6 PRO HD3 H -2.975 7.771 0.619 1.00 . A A . 6 PRO HD3 1 1
8 883 1 1 6 PRO HG2 H -1.270 9.297 2.742 1.00 . A A . 6 PRO HG2 1 1
8 884 1 1 6 PRO HG3 H -2.991 9.169 2.335 1.00 . A A . 6 PRO HG3 1 1
8 885 1 1 6 PRO N N -1.190 8.648 -0.098 1.00 . A A . 6 PRO N 1 1
8 886 1 1 6 PRO O O 0.550 11.781 -0.487 1.00 . A A . 6 PRO O 1 1
8 887 1 1 7 TRP C C 3.383 9.749 -0.776 1.00 . A A . 7 TRP C 1 1
8 888 1 1 7 TRP CA C 2.616 10.199 0.463 1.00 . A A . 7 TRP CA 1 1
8 889 1 1 7 TRP CB C 3.255 9.601 1.718 1.00 . A A . 7 TRP CB 1 1
8 890 1 1 7 TRP CD1 C 3.136 11.520 3.413 1.00 . A A . 7 TRP CD1 1 1
8 891 1 1 7 TRP CD2 C 1.953 9.707 3.989 1.00 . A A . 7 TRP CD2 1 1
8 892 1 1 7 TRP CE2 C 1.805 10.680 4.997 1.00 . A A . 7 TRP CE2 1 1
8 893 1 1 7 TRP CE3 C 1.297 8.482 4.134 1.00 . A A . 7 TRP CE3 1 1
8 894 1 1 7 TRP CG C 2.808 10.265 2.985 1.00 . A A . 7 TRP CG 1 1
8 895 1 1 7 TRP CH2 C 0.398 9.253 6.248 1.00 . A A . 7 TRP CH2 1 1
8 896 1 1 7 TRP CZ2 C 1.029 10.462 6.132 1.00 . A A . 7 TRP CZ2 1 1
8 897 1 1 7 TRP CZ3 C 0.527 8.267 5.261 1.00 . A A . 7 TRP CZ3 1 1
8 898 1 1 7 TRP H H 0.944 8.918 0.673 1.00 . A A . 7 TRP H 1 1
8 899 1 1 7 TRP HA H 2.659 11.277 0.526 1.00 . A A . 7 TRP HA 1 1
8 900 1 1 7 TRP HB2 H 2.998 8.555 1.781 1.00 . A A . 7 TRP HB2 1 1
8 901 1 1 7 TRP HB3 H 4.328 9.701 1.649 1.00 . A A . 7 TRP HB3 1 1
8 902 1 1 7 TRP HD1 H 3.775 12.199 2.871 1.00 . A A . 7 TRP HD1 1 1
8 903 1 1 7 TRP HE1 H 2.618 12.608 5.133 1.00 . A A . 7 TRP HE1 1 1
8 904 1 1 7 TRP HE3 H 1.385 7.709 3.384 1.00 . A A . 7 TRP HE3 1 1
8 905 1 1 7 TRP HH2 H -0.214 9.042 7.112 1.00 . A A . 7 TRP HH2 1 1
8 906 1 1 7 TRP HZ2 H 0.918 11.212 6.902 1.00 . A A . 7 TRP HZ2 1 1
8 907 1 1 7 TRP HZ3 H 0.013 7.326 5.390 1.00 . A A . 7 TRP HZ3 1 1
8 908 1 1 7 TRP N N 1.213 9.813 0.376 1.00 . A A . 7 TRP N 1 1
8 909 1 1 7 TRP NE1 N 2.536 11.775 4.623 1.00 . A A . 7 TRP NE1 1 1
8 910 1 1 7 TRP O O 4.605 9.601 -0.743 1.00 . A A . 7 TRP O 1 1
8 911 1 1 8 CYS C C 2.491 9.632 -4.319 1.00 . A A . 8 CYS C 1 1
8 912 1 1 8 CYS CA C 3.269 9.099 -3.119 1.00 . A A . 8 CYS CA 1 1
8 913 1 1 8 CYS CB C 3.333 7.572 -3.177 1.00 . A A . 8 CYS CB 1 1
8 914 1 1 8 CYS H H 1.687 9.668 -1.833 1.00 . A A . 8 CYS H 1 1
8 915 1 1 8 CYS HA H 4.273 9.494 -3.153 1.00 . A A . 8 CYS HA 1 1
8 916 1 1 8 CYS HB2 H 2.393 7.166 -2.832 1.00 . A A . 8 CYS HB2 1 1
8 917 1 1 8 CYS HB3 H 3.498 7.264 -4.199 1.00 . A A . 8 CYS HB3 1 1
8 918 1 1 8 CYS N N 2.658 9.533 -1.869 1.00 . A A . 8 CYS N 1 1
8 919 1 1 8 CYS O O 2.665 10.783 -4.722 1.00 . A A . 8 CYS O 1 1
8 920 1 1 8 CYS SG S 4.656 6.844 -2.158 1.00 . A A . 8 CYS SG 1 1
9 921 1 1 1 GLY C C 2.045 1.474 -1.801 1.00 . A A . 1 GLY C 1 1
9 922 1 1 1 GLY CA C 1.942 0.198 -0.990 1.00 . A A . 1 GLY CA 1 1
9 923 1 1 1 GLY H1 H 2.977 -1.429 -1.865 1.00 . A A . 1 GLY H1 1 1
9 924 1 1 1 GLY HA2 H 0.976 0.165 -0.509 1.00 . A A . 1 GLY HA2 1 1
9 925 1 1 1 GLY HA3 H 2.710 0.205 -0.230 1.00 . A A . 1 GLY HA3 1 1
9 926 1 1 1 GLY N N 2.102 -0.992 -1.805 1.00 . A A . 1 GLY N 1 1
9 927 1 1 1 GLY O O 1.034 2.108 -2.105 1.00 . A A . 1 GLY O 1 1
9 928 1 1 2 CYS C C 4.088 2.727 -4.297 1.00 . A A . 2 CYS C 1 1
9 929 1 1 2 CYS CA C 3.501 3.064 -2.930 1.00 . A A . 2 CYS CA 1 1
9 930 1 1 2 CYS CB C 4.442 4.007 -2.177 1.00 . A A . 2 CYS CB 1 1
9 931 1 1 2 CYS H H 4.036 1.307 -1.878 1.00 . A A . 2 CYS H 1 1
9 932 1 1 2 CYS HA H 2.551 3.556 -3.070 1.00 . A A . 2 CYS HA 1 1
9 933 1 1 2 CYS HB2 H 5.001 3.439 -1.448 1.00 . A A . 2 CYS HB2 1 1
9 934 1 1 2 CYS HB3 H 5.130 4.454 -2.880 1.00 . A A . 2 CYS HB3 1 1
9 935 1 1 2 CYS N N 3.269 1.854 -2.151 1.00 . A A . 2 CYS N 1 1
9 936 1 1 2 CYS O O 4.685 1.670 -4.501 1.00 . A A . 2 CYS O 1 1
9 937 1 1 2 CYS SG S 3.594 5.357 -1.295 1.00 . A A . 2 CYS SG 1 1
9 938 1 1 3 PRO C C 1.690 4.736 -5.058 1.00 . A A . 3 PRO C 1 1
9 939 1 1 3 PRO CA C 3.205 4.909 -5.028 1.00 . A A . 3 PRO CA 1 1
9 940 1 1 3 PRO CB C 3.666 5.792 -6.190 1.00 . A A . 3 PRO CB 1 1
9 941 1 1 3 PRO CD C 4.398 3.525 -6.644 1.00 . A A . 3 PRO CD 1 1
9 942 1 1 3 PRO CG C 5.114 5.481 -6.351 1.00 . A A . 3 PRO CG 1 1
9 943 1 1 3 PRO HA H 3.496 5.362 -4.092 1.00 . A A . 3 PRO HA 1 1
9 944 1 1 3 PRO HB2 H 3.105 5.542 -7.080 1.00 . A A . 3 PRO HB2 1 1
9 945 1 1 3 PRO HB3 H 3.511 6.831 -5.941 1.00 . A A . 3 PRO HB3 1 1
9 946 1 1 3 PRO HD2 H 3.571 3.482 -7.338 1.00 . A A . 3 PRO HD2 1 1
9 947 1 1 3 PRO HD3 H 5.032 2.658 -6.756 1.00 . A A . 3 PRO HD3 1 1
9 948 1 1 3 PRO HG2 H 5.234 4.609 -6.978 1.00 . A A . 3 PRO HG2 1 1
9 949 1 1 3 PRO HG3 H 5.564 5.315 -5.385 1.00 . A A . 3 PRO HG3 1 1
9 950 1 1 3 PRO N N 3.915 3.647 -5.258 1.00 . A A . 3 PRO N 1 1
9 951 1 1 3 PRO O O 1.212 3.704 -5.527 1.00 . A A . 3 PRO O 1 1
9 952 1 1 4 DTR C C -0.956 6.402 -3.281 1.00 . A A . 4 DTR C 1 1
9 953 1 1 4 DTR CA C -0.475 5.682 -4.542 1.00 . A A . 4 DTR CA 1 1
9 954 1 1 4 DTR CB C -1.066 6.267 -5.826 1.00 . A A . 4 DTR CB 1 1
9 955 1 1 4 DTR CD1 C -0.826 4.506 -7.698 1.00 . A A . 4 DTR CD1 1 1
9 956 1 1 4 DTR CD2 C 0.543 6.231 -7.940 1.00 . A A . 4 DTR CD2 1 1
9 957 1 1 4 DTR CE2 C 0.771 5.373 -8.996 1.00 . A A . 4 DTR CE2 1 1
9 958 1 1 4 DTR CE3 C 1.261 7.432 -7.804 1.00 . A A . 4 DTR CE3 1 1
9 959 1 1 4 DTR CG C -0.490 5.662 -7.108 1.00 . A A . 4 DTR CG 1 1
9 960 1 1 4 DTR CH2 C 2.444 6.814 -9.882 1.00 . A A . 4 DTR CH2 1 1
9 961 1 1 4 DTR CZ2 C 1.717 5.623 -9.997 1.00 . A A . 4 DTR CZ2 1 1
9 962 1 1 4 DTR CZ3 C 2.203 7.668 -8.813 1.00 . A A . 4 DTR CZ3 1 1
9 963 1 1 4 DTR H H 1.374 6.573 -4.185 1.00 . A A . 4 DTR H 1 1
9 964 1 1 4 DTR HA H -0.768 4.633 -4.507 1.00 . A A . 4 DTR HA 1 1
9 965 1 1 4 DTR HB2 H -0.893 7.343 -5.836 1.00 . A A . 4 DTR HB2 1 1
9 966 1 1 4 DTR HB3 H -2.145 6.117 -5.819 1.00 . A A . 4 DTR HB3 1 1
9 967 1 1 4 DTR HD1 H -1.587 3.823 -7.320 1.00 . A A . 4 DTR HD1 1 1
9 968 1 1 4 DTR HE1 H -0.165 3.430 -9.509 1.00 . A A . 4 DTR HE1 1 1
9 969 1 1 4 DTR HE3 H 1.100 8.127 -6.979 1.00 . A A . 4 DTR HE3 1 1
9 970 1 1 4 DTR HH2 H 3.196 7.070 -10.628 1.00 . A A . 4 DTR HH2 1 1
9 971 1 1 4 DTR HZ2 H 1.878 4.929 -10.822 1.00 . A A . 4 DTR HZ2 1 1
9 972 1 1 4 DTR HZ3 H 2.788 8.586 -8.755 1.00 . A A . 4 DTR HZ3 1 1
9 973 1 1 4 DTR N N 0.977 5.737 -4.564 1.00 . A A . 4 DTR N 1 1
9 974 1 1 4 DTR NE1 N -0.088 4.291 -8.844 1.00 . A A . 4 DTR NE1 1 1
9 975 1 1 4 DTR O O -1.764 7.329 -3.327 1.00 . A A . 4 DTR O 1 1
9 976 1 1 5 ASP C C -0.618 8.048 -0.877 1.00 . A A . 5 ASP C 1 1
9 977 1 1 5 ASP CA C -0.795 6.533 -0.856 1.00 . A A . 5 ASP CA 1 1
9 978 1 1 5 ASP CB C 0.058 5.923 0.258 1.00 . A A . 5 ASP CB 1 1
9 979 1 1 5 ASP CG C -0.656 4.799 0.983 1.00 . A A . 5 ASP CG 1 1
9 980 1 1 5 ASP H H 0.203 5.208 -2.172 1.00 . A A . 5 ASP H 1 1
9 981 1 1 5 ASP HA H -1.833 6.307 -0.667 1.00 . A A . 5 ASP HA 1 1
9 982 1 1 5 ASP HB2 H 0.969 5.530 -0.169 1.00 . A A . 5 ASP HB2 1 1
9 983 1 1 5 ASP HB3 H 0.304 6.692 0.976 1.00 . A A . 5 ASP HB3 1 1
9 984 1 1 5 ASP N N -0.437 5.951 -2.144 1.00 . A A . 5 ASP N 1 1
9 985 1 1 5 ASP O O 0.098 8.603 -1.711 1.00 . A A . 5 ASP O 1 1
9 986 1 1 5 ASP OD1 O -1.601 4.225 0.404 1.00 . A A . 5 ASP OD1 1 1
9 987 1 1 5 ASP OD2 O -0.267 4.493 2.130 1.00 . A A . 5 ASP OD2 1 1
9 988 1 1 6 PRO C C 0.214 10.703 0.286 1.00 . A A . 6 PRO C 1 1
9 989 1 1 6 PRO CA C -1.219 10.196 0.172 1.00 . A A . 6 PRO CA 1 1
9 990 1 1 6 PRO CB C -1.996 10.490 1.458 1.00 . A A . 6 PRO CB 1 1
9 991 1 1 6 PRO CD C -2.158 8.139 1.088 1.00 . A A . 6 PRO CD 1 1
9 992 1 1 6 PRO CG C -2.267 9.151 2.052 1.00 . A A . 6 PRO CG 1 1
9 993 1 1 6 PRO HA H -1.706 10.679 -0.663 1.00 . A A . 6 PRO HA 1 1
9 994 1 1 6 PRO HB2 H -1.391 11.100 2.114 1.00 . A A . 6 PRO HB2 1 1
9 995 1 1 6 PRO HB3 H -2.912 11.009 1.219 1.00 . A A . 6 PRO HB3 1 1
9 996 1 1 6 PRO HD2 H -1.663 7.317 1.584 1.00 . A A . 6 PRO HD2 1 1
9 997 1 1 6 PRO HD3 H -3.093 7.815 0.657 1.00 . A A . 6 PRO HD3 1 1
9 998 1 1 6 PRO HG2 H -1.510 8.914 2.783 1.00 . A A . 6 PRO HG2 1 1
9 999 1 1 6 PRO HG3 H -3.246 9.144 2.507 1.00 . A A . 6 PRO HG3 1 1
9 1000 1 1 6 PRO N N -1.286 8.735 0.062 1.00 . A A . 6 PRO N 1 1
9 1001 1 1 6 PRO O O 0.492 11.871 0.013 1.00 . A A . 6 PRO O 1 1
9 1002 1 1 7 TRP C C 3.310 9.843 -0.421 1.00 . A A . 7 TRP C 1 1
9 1003 1 1 7 TRP CA C 2.524 10.179 0.842 1.00 . A A . 7 TRP CA 1 1
9 1004 1 1 7 TRP CB C 3.132 9.455 2.044 1.00 . A A . 7 TRP CB 1 1
9 1005 1 1 7 TRP CD1 C 3.538 11.385 3.680 1.00 . A A . 7 TRP CD1 1 1
9 1006 1 1 7 TRP CD2 C 2.156 9.800 4.451 1.00 . A A . 7 TRP CD2 1 1
9 1007 1 1 7 TRP CE2 C 2.295 10.795 5.438 1.00 . A A . 7 TRP CE2 1 1
9 1008 1 1 7 TRP CE3 C 1.332 8.702 4.712 1.00 . A A . 7 TRP CE3 1 1
9 1009 1 1 7 TRP CG C 2.960 10.197 3.334 1.00 . A A . 7 TRP CG 1 1
9 1010 1 1 7 TRP CH2 C 0.840 9.636 6.894 1.00 . A A . 7 TRP CH2 1 1
9 1011 1 1 7 TRP CZ2 C 1.640 10.722 6.665 1.00 . A A . 7 TRP CZ2 1 1
9 1012 1 1 7 TRP CZ3 C 0.684 8.631 5.930 1.00 . A A . 7 TRP CZ3 1 1
9 1013 1 1 7 TRP H H 0.835 8.904 0.895 1.00 . A A . 7 TRP H 1 1
9 1014 1 1 7 TRP HA H 2.576 11.245 1.011 1.00 . A A . 7 TRP HA 1 1
9 1015 1 1 7 TRP HB2 H 2.661 8.489 2.150 1.00 . A A . 7 TRP HB2 1 1
9 1016 1 1 7 TRP HB3 H 4.190 9.319 1.875 1.00 . A A . 7 TRP HB3 1 1
9 1017 1 1 7 TRP HD1 H 4.208 11.943 3.043 1.00 . A A . 7 TRP HD1 1 1
9 1018 1 1 7 TRP HE1 H 3.423 12.564 5.414 1.00 . A A . 7 TRP HE1 1 1
9 1019 1 1 7 TRP HE3 H 1.199 7.918 3.982 1.00 . A A . 7 TRP HE3 1 1
9 1020 1 1 7 TRP HH2 H 0.314 9.539 7.832 1.00 . A A . 7 TRP HH2 1 1
9 1021 1 1 7 TRP HZ2 H 1.750 11.489 7.418 1.00 . A A . 7 TRP HZ2 1 1
9 1022 1 1 7 TRP HZ3 H 0.043 7.790 6.150 1.00 . A A . 7 TRP HZ3 1 1
9 1023 1 1 7 TRP N N 1.119 9.820 0.692 1.00 . A A . 7 TRP N 1 1
9 1024 1 1 7 TRP NE1 N 3.143 11.750 4.944 1.00 . A A . 7 TRP NE1 1 1
9 1025 1 1 7 TRP O O 4.530 9.677 -0.379 1.00 . A A . 7 TRP O 1 1
9 1026 1 1 8 CYS C C 2.490 10.087 -3.973 1.00 . A A . 8 CYS C 1 1
9 1027 1 1 8 CYS CA C 3.236 9.426 -2.818 1.00 . A A . 8 CYS CA 1 1
9 1028 1 1 8 CYS CB C 3.282 7.911 -3.026 1.00 . A A . 8 CYS CB 1 1
9 1029 1 1 8 CYS H H 1.635 9.886 -1.512 1.00 . A A . 8 CYS H 1 1
9 1030 1 1 8 CYS HA H 4.246 9.808 -2.792 1.00 . A A . 8 CYS HA 1 1
9 1031 1 1 8 CYS HB2 H 2.325 7.489 -2.751 1.00 . A A . 8 CYS HB2 1 1
9 1032 1 1 8 CYS HB3 H 3.475 7.704 -4.068 1.00 . A A . 8 CYS HB3 1 1
9 1033 1 1 8 CYS N N 2.605 9.743 -1.543 1.00 . A A . 8 CYS N 1 1
9 1034 1 1 8 CYS O O 3.058 10.895 -4.710 1.00 . A A . 8 CYS O 1 1
9 1035 1 1 8 CYS SG S 4.561 7.064 -2.044 1.00 . A A . 8 CYS SG 1 1
10 1036 1 1 1 GLY C C 2.358 1.070 -2.524 1.00 . A A . 1 GLY C 1 1
10 1037 1 1 1 GLY CA C 2.342 -0.335 -1.956 1.00 . A A . 1 GLY CA 1 1
10 1038 1 1 1 GLY H1 H 2.743 0.061 0.085 1.00 . A A . 1 GLY H1 1 1
10 1039 1 1 1 GLY HA2 H 3.295 -0.803 -2.153 1.00 . A A . 1 GLY HA2 1 1
10 1040 1 1 1 GLY HA3 H 1.566 -0.901 -2.450 1.00 . A A . 1 GLY HA3 1 1
10 1041 1 1 1 GLY N N 2.097 -0.353 -0.526 1.00 . A A . 1 GLY N 1 1
10 1042 1 1 1 GLY O O 1.305 1.661 -2.768 1.00 . A A . 1 GLY O 1 1
10 1043 1 1 2 CYS C C 4.320 2.915 -4.669 1.00 . A A . 2 CYS C 1 1
10 1044 1 1 2 CYS CA C 3.704 2.954 -3.273 1.00 . A A . 2 CYS CA 1 1
10 1045 1 1 2 CYS CB C 4.572 3.806 -2.344 1.00 . A A . 2 CYS CB 1 1
10 1046 1 1 2 CYS H H 4.358 1.088 -2.518 1.00 . A A . 2 CYS H 1 1
10 1047 1 1 2 CYS HA H 2.722 3.397 -3.339 1.00 . A A . 2 CYS HA 1 1
10 1048 1 1 2 CYS HB2 H 5.167 3.153 -1.722 1.00 . A A . 2 CYS HB2 1 1
10 1049 1 1 2 CYS HB3 H 5.228 4.422 -2.942 1.00 . A A . 2 CYS HB3 1 1
10 1050 1 1 2 CYS N N 3.554 1.609 -2.733 1.00 . A A . 2 CYS N 1 1
10 1051 1 1 2 CYS O O 4.991 1.956 -5.051 1.00 . A A . 2 CYS O 1 1
10 1052 1 1 2 CYS SG S 3.625 4.907 -1.244 1.00 . A A . 2 CYS SG 1 1
10 1053 1 1 3 PRO C C 1.792 4.861 -5.092 1.00 . A A . 3 PRO C 1 1
10 1054 1 1 3 PRO CA C 3.291 5.128 -5.004 1.00 . A A . 3 PRO CA 1 1
10 1055 1 1 3 PRO CB C 3.694 6.239 -5.976 1.00 . A A . 3 PRO CB 1 1
10 1056 1 1 3 PRO CD C 4.586 4.150 -6.824 1.00 . A A . 3 PRO CD 1 1
10 1057 1 1 3 PRO CG C 5.162 6.063 -6.166 1.00 . A A . 3 PRO CG 1 1
10 1058 1 1 3 PRO HA H 3.544 5.421 -3.995 1.00 . A A . 3 PRO HA 1 1
10 1059 1 1 3 PRO HB2 H 3.158 6.119 -6.907 1.00 . A A . 3 PRO HB2 1 1
10 1060 1 1 3 PRO HB3 H 3.466 7.202 -5.544 1.00 . A A . 3 PRO HB3 1 1
10 1061 1 1 3 PRO HD2 H 3.769 4.179 -7.529 1.00 . A A . 3 PRO HD2 1 1
10 1062 1 1 3 PRO HD3 H 5.281 3.364 -7.080 1.00 . A A . 3 PRO HD3 1 1
10 1063 1 1 3 PRO HG2 H 5.346 5.331 -6.939 1.00 . A A . 3 PRO HG2 1 1
10 1064 1 1 3 PRO HG3 H 5.617 5.753 -5.238 1.00 . A A . 3 PRO HG3 1 1
10 1065 1 1 3 PRO N N 4.088 3.982 -5.448 1.00 . A A . 3 PRO N 1 1
10 1066 1 1 3 PRO O O 1.394 3.848 -5.664 1.00 . A A . 3 PRO O 1 1
10 1067 1 1 4 DTR C C -1.008 6.283 -3.301 1.00 . A A . 4 DTR C 1 1
10 1068 1 1 4 DTR CA C -0.442 5.615 -4.556 1.00 . A A . 4 DTR CA 1 1
10 1069 1 1 4 DTR CB C -1.031 6.179 -5.850 1.00 . A A . 4 DTR CB 1 1
10 1070 1 1 4 DTR CD1 C -0.689 4.347 -7.635 1.00 . A A . 4 DTR CD1 1 1
10 1071 1 1 4 DTR CD2 C 0.494 6.178 -8.024 1.00 . A A . 4 DTR CD2 1 1
10 1072 1 1 4 DTR CE2 C 0.766 5.287 -9.042 1.00 . A A . 4 DTR CE2 1 1
10 1073 1 1 4 DTR CE3 C 1.096 7.448 -7.982 1.00 . A A . 4 DTR CE3 1 1
10 1074 1 1 4 DTR CG C -0.447 5.560 -7.121 1.00 . A A . 4 DTR CG 1 1
10 1075 1 1 4 DTR CH2 C 2.256 6.830 -10.073 1.00 . A A . 4 DTR CH2 1 1
10 1076 1 1 4 DTR CZ2 C 1.645 5.570 -10.095 1.00 . A A . 4 DTR CZ2 1 1
10 1077 1 1 4 DTR CZ3 C 1.972 7.716 -9.041 1.00 . A A . 4 DTR CZ3 1 1
10 1078 1 1 4 DTR H H 1.334 6.588 -4.069 1.00 . A A . 4 DTR H 1 1
10 1079 1 1 4 DTR HA H -0.666 4.549 -4.543 1.00 . A A . 4 DTR HA 1 1
10 1080 1 1 4 DTR HB2 H -0.866 7.257 -5.873 1.00 . A A . 4 DTR HB2 1 1
10 1081 1 1 4 DTR HB3 H -2.110 6.023 -5.845 1.00 . A A . 4 DTR HB3 1 1
10 1082 1 1 4 DTR HD1 H -1.365 3.616 -7.190 1.00 . A A . 4 DTR HD1 1 1
10 1083 1 1 4 DTR HE1 H 0.007 3.238 -9.412 1.00 . A A . 4 DTR HE1 1 1
10 1084 1 1 4 DTR HE3 H 0.898 8.170 -7.189 1.00 . A A . 4 DTR HE3 1 1
10 1085 1 1 4 DTR HH2 H 2.952 7.114 -10.863 1.00 . A A . 4 DTR HH2 1 1
10 1086 1 1 4 DTR HZ2 H 1.843 4.849 -10.887 1.00 . A A . 4 DTR HZ2 1 1
10 1087 1 1 4 DTR HZ3 H 2.466 8.687 -9.057 1.00 . A A . 4 DTR HZ3 1 1
10 1088 1 1 4 DTR N N 1.003 5.766 -4.532 1.00 . A A . 4 DTR N 1 1
10 1089 1 1 4 DTR NE1 N 0.023 4.138 -8.798 1.00 . A A . 4 DTR NE1 1 1
10 1090 1 1 4 DTR O O -1.775 7.244 -3.362 1.00 . A A . 4 DTR O 1 1
10 1091 1 1 5 ASP C C -0.822 7.777 -0.782 1.00 . A A . 5 ASP C 1 1
10 1092 1 1 5 ASP CA C -1.059 6.273 -0.868 1.00 . A A . 5 ASP CA 1 1
10 1093 1 1 5 ASP CB C -0.336 5.564 0.279 1.00 . A A . 5 ASP CB 1 1
10 1094 1 1 5 ASP CG C -1.066 4.318 0.741 1.00 . A A . 5 ASP CG 1 1
10 1095 1 1 5 ASP H H 0.004 4.984 -2.168 1.00 . A A . 5 ASP H 1 1
10 1096 1 1 5 ASP HA H -2.118 6.083 -0.785 1.00 . A A . 5 ASP HA 1 1
10 1097 1 1 5 ASP HB2 H 0.653 5.278 -0.050 1.00 . A A . 5 ASP HB2 1 1
10 1098 1 1 5 ASP HB3 H -0.250 6.241 1.115 1.00 . A A . 5 ASP HB3 1 1
10 1099 1 1 5 ASP N N -0.609 5.749 -2.152 1.00 . A A . 5 ASP N 1 1
10 1100 1 1 5 ASP O O -0.008 8.345 -1.511 1.00 . A A . 5 ASP O 1 1
10 1101 1 1 5 ASP OD1 O -2.313 4.305 0.684 1.00 . A A . 5 ASP OD1 1 1
10 1102 1 1 5 ASP OD2 O -0.389 3.355 1.159 1.00 . A A . 5 ASP OD2 1 1
10 1103 1 1 6 PRO C C -0.004 10.322 0.623 1.00 . A A . 6 PRO C 1 1
10 1104 1 1 6 PRO CA C -1.437 9.888 0.332 1.00 . A A . 6 PRO CA 1 1
10 1105 1 1 6 PRO CB C -2.331 10.147 1.547 1.00 . A A . 6 PRO CB 1 1
10 1106 1 1 6 PRO CD C -2.539 7.828 1.033 1.00 . A A . 6 PRO CD 1 1
10 1107 1 1 6 PRO CG C -2.480 8.816 2.199 1.00 . A A . 6 PRO CG 1 1
10 1108 1 1 6 PRO HA H -1.813 10.438 -0.518 1.00 . A A . 6 PRO HA 1 1
10 1109 1 1 6 PRO HB2 H -1.853 10.859 2.204 1.00 . A A . 6 PRO HB2 1 1
10 1110 1 1 6 PRO HB3 H -3.285 10.534 1.220 1.00 . A A . 6 PRO HB3 1 1
10 1111 1 1 6 PRO HD2 H -2.132 6.948 1.509 1.00 . A A . 6 PRO HD2 1 1
10 1112 1 1 6 PRO HD3 H -3.447 7.586 0.501 1.00 . A A . 6 PRO HD3 1 1
10 1113 1 1 6 PRO HG2 H -1.870 8.772 3.088 1.00 . A A . 6 PRO HG2 1 1
10 1114 1 1 6 PRO HG3 H -3.517 8.641 2.445 1.00 . A A . 6 PRO HG3 1 1
10 1115 1 1 6 PRO N N -1.550 8.440 0.130 1.00 . A A . 6 PRO N 1 1
10 1116 1 1 6 PRO O O 0.346 11.491 0.457 1.00 . A A . 6 PRO O 1 1
10 1117 1 1 7 TRP C C 3.113 9.366 0.176 1.00 . A A . 7 TRP C 1 1
10 1118 1 1 7 TRP CA C 2.215 9.661 1.372 1.00 . A A . 7 TRP CA 1 1
10 1119 1 1 7 TRP CB C 2.666 8.839 2.580 1.00 . A A . 7 TRP CB 1 1
10 1120 1 1 7 TRP CD1 C 4.294 9.630 4.394 1.00 . A A . 7 TRP CD1 1 1
10 1121 1 1 7 TRP CD2 C 2.324 10.696 4.397 1.00 . A A . 7 TRP CD2 1 1
10 1122 1 1 7 TRP CE2 C 3.121 11.220 5.434 1.00 . A A . 7 TRP CE2 1 1
10 1123 1 1 7 TRP CE3 C 1.041 11.215 4.205 1.00 . A A . 7 TRP CE3 1 1
10 1124 1 1 7 TRP CG C 3.094 9.680 3.744 1.00 . A A . 7 TRP CG 1 1
10 1125 1 1 7 TRP CH2 C 1.413 12.725 6.064 1.00 . A A . 7 TRP CH2 1 1
10 1126 1 1 7 TRP CZ2 C 2.673 12.236 6.275 1.00 . A A . 7 TRP CZ2 1 1
10 1127 1 1 7 TRP CZ3 C 0.598 12.223 5.041 1.00 . A A . 7 TRP CZ3 1 1
10 1128 1 1 7 TRP H H 0.481 8.462 1.171 1.00 . A A . 7 TRP H 1 1
10 1129 1 1 7 TRP HA H 2.290 10.711 1.613 1.00 . A A . 7 TRP HA 1 1
10 1130 1 1 7 TRP HB2 H 1.850 8.211 2.905 1.00 . A A . 7 TRP HB2 1 1
10 1131 1 1 7 TRP HB3 H 3.501 8.218 2.292 1.00 . A A . 7 TRP HB3 1 1
10 1132 1 1 7 TRP HD1 H 5.097 8.957 4.137 1.00 . A A . 7 TRP HD1 1 1
10 1133 1 1 7 TRP HE1 H 5.068 10.709 6.022 1.00 . A A . 7 TRP HE1 1 1
10 1134 1 1 7 TRP HE3 H 0.399 10.841 3.422 1.00 . A A . 7 TRP HE3 1 1
10 1135 1 1 7 TRP HH2 H 1.026 13.512 6.693 1.00 . A A . 7 TRP HH2 1 1
10 1136 1 1 7 TRP HZ2 H 3.289 12.634 7.068 1.00 . A A . 7 TRP HZ2 1 1
10 1137 1 1 7 TRP HZ3 H -0.391 12.636 4.908 1.00 . A A . 7 TRP HZ3 1 1
10 1138 1 1 7 TRP N N 0.819 9.375 1.058 1.00 . A A . 7 TRP N 1 1
10 1139 1 1 7 TRP NE1 N 4.317 10.553 5.412 1.00 . A A . 7 TRP NE1 1 1
10 1140 1 1 7 TRP O O 4.313 9.137 0.330 1.00 . A A . 7 TRP O 1 1
10 1141 1 1 8 CYS C C 2.696 9.890 -3.412 1.00 . A A . 8 CYS C 1 1
10 1142 1 1 8 CYS CA C 3.273 9.104 -2.239 1.00 . A A . 8 CYS CA 1 1
10 1143 1 1 8 CYS CB C 3.254 7.607 -2.555 1.00 . A A . 8 CYS CB 1 1
10 1144 1 1 8 CYS H H 1.565 9.561 -1.075 1.00 . A A . 8 CYS H 1 1
10 1145 1 1 8 CYS HA H 4.294 9.416 -2.079 1.00 . A A . 8 CYS HA 1 1
10 1146 1 1 8 CYS HB2 H 2.241 7.242 -2.472 1.00 . A A . 8 CYS HB2 1 1
10 1147 1 1 8 CYS HB3 H 3.603 7.456 -3.566 1.00 . A A . 8 CYS HB3 1 1
10 1148 1 1 8 CYS N N 2.526 9.372 -1.016 1.00 . A A . 8 CYS N 1 1
10 1149 1 1 8 CYS O O 3.436 10.410 -4.247 1.00 . A A . 8 CYS O 1 1
10 1150 1 1 8 CYS SG S 4.297 6.601 -1.451 1.00 . A A . 8 CYS SG 1 1
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