NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
568268 |
2m6d   |
19129 | cing | 4-filtered-FRED | STAR | entry | full | 25 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2m6d
# This FRED archive file contains, for PDB entry <2m6d>:
#
# - 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_2m6d
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2m6d
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 920.11
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $Contryphan_In A . 1 1
stop_
save_
save_Contryphan_In
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Contryphan In"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code GCVXYPWC
_Entity.Number_of_monomers 8
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 GLY . 1 1
2 CYS . 1 1
3 VAL . 1 1
4 . $. 1 1
5 TYR . 1 1
6 PRO . 1 1
7 TRP . 1 1
8 CYS . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
GLY 1 1 1 1
CYS 2 2 1 1
VAL 3 3 1 1
. 4 4 1 1
TYR 5 5 1 1
PRO 6 6 1 1
TRP 7 7 1 1
CYS 8 8 1 1
stop_
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 CYS SG . 2 CYSS SG 1 1
1 1 2 1 1 8 CYS SG . 8 CYSS SG 1 1
2 1 1 1 1 2 CYS SG . 2 CYSS SG 1 1
2 1 2 1 1 8 CYS CB . 8 CYSS CB 1 1
3 1 1 1 1 2 CYS CB . 2 CYSS CB 1 1
3 1 2 1 1 8 CYS SG . 8 CYSS SG 1 1
4 1 1 1 1 2 CYS CB . 2 CYSS CB 1 1
4 1 2 1 1 8 CYS CB . 8 CYSS CB 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 2.1 1 1
2 1 . . . . . . . 3.1 1 1
3 1 . . . . . . . 3.1 1 1
4 1 . . . . . . . 4.5 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
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 HA . 2 CYSS HA 1 2
1 1 2 1 1 3 VAL H . 3 VAL H 1 2
2 1 1 1 1 3 VAL H . 3 VAL H 1 2
2 1 2 1 1 3 VAL QG . 3 VAL QQG 1 2
3 1 1 1 1 3 VAL H . 3 VAL H 1 2
3 1 2 1 1 3 VAL HB . 3 VAL HB 1 2
4 1 1 1 1 5 TYR HA . 5 TYR HA 1 2
4 1 2 1 1 6 PRO QD . 6 PRO QD 1 2
5 1 1 1 1 5 TYR QB . 5 TYR QB 1 2
5 1 2 1 1 7 TRP H . 7 TRP H 1 2
6 1 1 1 1 6 PRO QB . 6 PRO QB 1 2
6 1 2 1 1 7 TRP HE3 . 7 TRP HE3 1 2
7 1 1 1 1 6 PRO QD . 6 PRO QD 1 2
7 1 2 1 1 7 TRP H . 7 TRP H 1 2
8 1 1 1 1 6 PRO QD . 6 PRO QD 1 2
8 1 2 1 1 7 TRP HE3 . 7 TRP HE3 1 2
9 1 1 1 1 6 PRO QG . 6 PRO QG 1 2
9 1 2 1 1 7 TRP HE3 . 7 TRP HE3 1 2
10 1 1 1 1 6 PRO QG . 6 PRO QG 1 2
10 1 2 1 1 7 TRP H . 7 TRP H 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 QB . 6 PRO QB 1 2
12 1 2 1 1 7 TRP H . 7 TRP H 1 2
13 1 1 1 1 7 TRP H . 7 TRP H 1 2
13 1 2 1 1 7 TRP HE3 . 7 TRP HE3 1 2
14 1 1 1 1 7 TRP QB . 7 TRP QB 1 2
14 1 2 1 1 7 TRP HD1 . 7 TRP HD1 1 2
15 1 1 1 1 7 TRP HD1 . 7 TRP HD1 1 2
15 1 2 1 1 8 CYS HA . 8 CYSS HA 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 HA . 8 CYSS HA 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 2.4 1 2
2 1 . . . . . . . 3.5 1 2
3 1 . . . . . . . 3.5 1 2
4 1 . . . . . . . 2.4 1 2
5 1 . . . . . . . 5.0 1 2
6 1 . . . . . . . 5.0 1 2
7 1 . . . . . . . 3.0 1 2
8 1 . . . . . . . 3.5 1 2
9 1 . . . . . . . 5.0 1 2
10 1 . . . . . . . 5.0 1 2
11 1 . . . . . . . 3.5 1 2
12 1 . . . . . . . 5.0 1 2
13 1 . . . . . . . 2.5 1 2
14 1 . . . . . . . 3.5 1 2
15 1 . . . . . . . 3.5 1 2
16 1 . . . . . . . 3.0 1 2
17 1 . . . . . . . 3.0 1 2
stop_
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 3
2 1 . . . 1 3
3 1 . . . 1 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 5 TYR O . 5 TYR O 1 3
1 1 2 1 1 8 CYS N . 8 CYSS N 1 3
2 1 1 1 1 2 CYS O . 2 CYSS O 1 3
2 1 2 1 1 5 TYR H . 5 TYR H 1 3
3 1 1 1 1 2 CYS O . 2 CYSS O 1 3
3 1 2 1 1 5 TYR N . 5 TYR N 1 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 3.2 1 3
2 1 . . . . . . . 2.2 1 3
3 1 . . . . . . . 3.2 1 3
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI 1 1 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 1.178 0.214 -2.453 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 2.809 0.789 -1.214 1.00 . A A . 1 GLY HA2 1 1
1 5 1 1 1 GLY HA3 H 2.578 -0.947 -1.352 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 0.038 0.659 -2.319 1.00 . A A . 1 GLY O 1 1
1 8 1 1 2 CYS C C 0.803 -1.273 -5.602 1.00 . A A . 2 CYS C 1 1
1 9 1 1 2 CYS CA C 0.939 0.059 -4.870 1.00 . A A . 2 CYS CA 1 1
1 10 1 1 2 CYS CB C 1.619 1.086 -5.779 1.00 . A A . 2 CYS CB 1 1
1 11 1 1 2 CYS H H 2.612 -0.452 -3.678 1.00 . A A . 2 CYS H 1 1
1 12 1 1 2 CYS HA H -0.046 0.416 -4.612 1.00 . A A . 2 CYS HA 1 1
1 13 1 1 2 CYS HB2 H 2.499 0.639 -6.219 1.00 . A A . 2 CYS HB2 1 1
1 14 1 1 2 CYS HB3 H 0.934 1.368 -6.565 1.00 . A A . 2 CYS HB3 1 1
1 15 1 1 2 CYS N N 1.696 -0.102 -3.635 1.00 . A A . 2 CYS N 1 1
1 16 1 1 2 CYS O O 1.799 -1.910 -5.945 1.00 . A A . 2 CYS O 1 1
1 17 1 1 2 CYS SG S 2.140 2.607 -4.923 1.00 . A A . 2 CYS SG 1 1
1 18 1 1 3 VAL C C 0.002 -2.987 -7.881 1.00 . A A . 3 VAL C 1 1
1 19 1 1 3 VAL CA C -0.706 -2.942 -6.531 1.00 . A A . 3 VAL CA 1 1
1 20 1 1 3 VAL CB C -2.216 -3.152 -6.749 1.00 . A A . 3 VAL CB 1 1
1 21 1 1 3 VAL CG1 C -2.892 -3.555 -5.447 1.00 . A A . 3 VAL CG1 1 1
1 22 1 1 3 VAL CG2 C -2.851 -1.894 -7.322 1.00 . A A . 3 VAL CG2 1 1
1 23 1 1 3 VAL H H -1.191 -1.135 -5.541 1.00 . A A . 3 VAL H 1 1
1 24 1 1 3 VAL HA H -0.337 -3.749 -5.915 1.00 . A A . 3 VAL HA 1 1
1 25 1 1 3 VAL HB H -2.349 -3.953 -7.461 1.00 . A A . 3 VAL HB 1 1
1 26 1 1 3 VAL HG11 H -3.290 -2.676 -4.961 1.00 . A A . 3 VAL HG11 1 1
1 27 1 1 3 VAL HG12 H -3.696 -4.246 -5.657 1.00 . A A . 3 VAL HG12 1 1
1 28 1 1 3 VAL HG13 H -2.170 -4.028 -4.798 1.00 . A A . 3 VAL HG13 1 1
1 29 1 1 3 VAL HG21 H -3.472 -1.430 -6.570 1.00 . A A . 3 VAL HG21 1 1
1 30 1 1 3 VAL HG22 H -2.076 -1.204 -7.624 1.00 . A A . 3 VAL HG22 1 1
1 31 1 1 3 VAL HG23 H -3.455 -2.153 -8.178 1.00 . A A . 3 VAL HG23 1 1
1 32 1 1 3 VAL N N -0.438 -1.687 -5.839 1.00 . A A . 3 VAL N 1 1
1 33 1 1 3 VAL O O -0.268 -2.141 -8.731 1.00 . A A . 3 VAL O 1 1
1 34 1 1 4 . C C 3.010 -3.493 -9.130 1.00 . A A . 4 DLE C 1 1
1 35 1 1 4 . CA C 1.617 -4.105 -9.292 1.00 . A A . 4 DLE CA 1 1
1 36 1 1 4 . CB C 1.637 -5.568 -9.739 1.00 . A A . 4 DLE CB 1 1
1 37 1 1 4 . CD1 C -0.111 -5.497 -11.555 1.00 . A A . 4 DLE CD1 1 1
1 38 1 1 4 . CD2 C 1.720 -7.251 -11.615 1.00 . A A . 4 DLE CD2 1 1
1 39 1 1 4 . CG C 1.346 -5.822 -11.219 1.00 . A A . 4 DLE CG 1 1
1 40 1 1 4 . H H 1.096 -4.648 -7.349 1.00 . A A . 4 DLE H 1 1
1 41 1 1 4 . HA H 1.078 -3.543 -10.055 1.00 . A A . 4 DLE HA 1 1
1 42 1 1 4 . HB2 H 0.906 -6.118 -9.146 1.00 . A A . 4 DLE HB2 1 1
1 43 1 1 4 . HB3 H 2.616 -5.986 -9.505 1.00 . A A . 4 DLE HB3 1 1
1 44 1 1 4 . HD11 H -0.706 -5.512 -10.643 1.00 . A A . 4 DLE HD11 1 1
1 45 1 1 4 . HD12 H -0.497 -6.239 -12.254 1.00 . A A . 4 DLE HD12 1 1
1 46 1 1 4 . HD13 H -0.167 -4.507 -12.009 1.00 . A A . 4 DLE HD13 1 1
1 47 1 1 4 . HD21 H 1.859 -7.853 -10.716 1.00 . A A . 4 DLE HD21 1 1
1 48 1 1 4 . HD22 H 2.647 -7.239 -12.190 1.00 . A A . 4 DLE HD22 1 1
1 49 1 1 4 . HD23 H 0.923 -7.681 -12.221 1.00 . A A . 4 DLE HD23 1 1
1 50 1 1 4 . HG H 1.970 -5.150 -11.810 1.00 . A A . 4 DLE HG 1 1
1 51 1 1 4 . N N 0.883 -3.963 -8.046 1.00 . A A . 4 DLE N 1 1
1 52 1 1 4 . O O 4.016 -4.028 -9.596 1.00 . A A . 4 DLE O 1 1
1 53 1 1 5 TYR C C 4.612 -1.575 -6.727 1.00 . A A . 5 TYR C 1 1
1 54 1 1 5 TYR CA C 4.297 -1.640 -8.218 1.00 . A A . 5 TYR CA 1 1
1 55 1 1 5 TYR CB C 4.224 -0.227 -8.798 1.00 . A A . 5 TYR CB 1 1
1 56 1 1 5 TYR CD1 C 3.875 -1.136 -11.128 1.00 . A A . 5 TYR CD1 1 1
1 57 1 1 5 TYR CD2 C 2.722 0.857 -10.514 1.00 . A A . 5 TYR CD2 1 1
1 58 1 1 5 TYR CE1 C 3.304 -1.086 -12.384 1.00 . A A . 5 TYR CE1 1 1
1 59 1 1 5 TYR CE2 C 2.145 0.915 -11.768 1.00 . A A . 5 TYR CE2 1 1
1 60 1 1 5 TYR CG C 3.596 -0.168 -10.172 1.00 . A A . 5 TYR CG 1 1
1 61 1 1 5 TYR CZ C 2.440 -0.058 -12.700 1.00 . A A . 5 TYR CZ 1 1
1 62 1 1 5 TYR H H 2.210 -1.972 -8.108 1.00 . A A . 5 TYR H 1 1
1 63 1 1 5 TYR HA H 5.086 -2.184 -8.718 1.00 . A A . 5 TYR HA 1 1
1 64 1 1 5 TYR HB2 H 3.639 0.395 -8.139 1.00 . A A . 5 TYR HB2 1 1
1 65 1 1 5 TYR HB3 H 5.224 0.176 -8.872 1.00 . A A . 5 TYR HB3 1 1
1 66 1 1 5 TYR HD1 H 4.553 -1.940 -10.877 1.00 . A A . 5 TYR HD1 1 1
1 67 1 1 5 TYR HD2 H 2.493 1.618 -9.782 1.00 . A A . 5 TYR HD2 1 1
1 68 1 1 5 TYR HE1 H 3.534 -1.848 -13.114 1.00 . A A . 5 TYR HE1 1 1
1 69 1 1 5 TYR HE2 H 1.468 1.720 -12.015 1.00 . A A . 5 TYR HE2 1 1
1 70 1 1 5 TYR HH H 2.150 0.797 -14.397 1.00 . A A . 5 TYR HH 1 1
1 71 1 1 5 TYR N N 3.045 -2.350 -8.455 1.00 . A A . 5 TYR N 1 1
1 72 1 1 5 TYR O O 4.467 -0.537 -6.080 1.00 . A A . 5 TYR O 1 1
1 73 1 1 5 TYR OH O 1.868 -0.005 -13.950 1.00 . A A . 5 TYR OH 1 1
1 74 1 1 6 PRO C C 6.668 -2.030 -4.402 1.00 . A A . 6 PRO C 1 1
1 75 1 1 6 PRO CA C 5.403 -2.809 -4.746 1.00 . A A . 6 PRO CA 1 1
1 76 1 1 6 PRO CB C 5.626 -4.309 -4.538 1.00 . A A . 6 PRO CB 1 1
1 77 1 1 6 PRO CD C 5.253 -3.985 -6.877 1.00 . A A . 6 PRO CD 1 1
1 78 1 1 6 PRO CG C 6.006 -4.825 -5.883 1.00 . A A . 6 PRO CG 1 1
1 79 1 1 6 PRO HA H 4.592 -2.473 -4.115 1.00 . A A . 6 PRO HA 1 1
1 80 1 1 6 PRO HB2 H 6.416 -4.461 -3.817 1.00 . A A . 6 PRO HB2 1 1
1 81 1 1 6 PRO HB3 H 4.714 -4.766 -4.184 1.00 . A A . 6 PRO HB3 1 1
1 82 1 1 6 PRO HD2 H 5.841 -3.840 -7.771 1.00 . A A . 6 PRO HD2 1 1
1 83 1 1 6 PRO HD3 H 4.305 -4.443 -7.117 1.00 . A A . 6 PRO HD3 1 1
1 84 1 1 6 PRO HG2 H 7.070 -4.717 -6.030 1.00 . A A . 6 PRO HG2 1 1
1 85 1 1 6 PRO HG3 H 5.717 -5.861 -5.973 1.00 . A A . 6 PRO HG3 1 1
1 86 1 1 6 PRO N N 5.056 -2.710 -6.167 1.00 . A A . 6 PRO N 1 1
1 87 1 1 6 PRO O O 7.010 -1.869 -3.231 1.00 . A A . 6 PRO O 1 1
1 88 1 1 7 TRP C C 8.286 0.704 -5.108 1.00 . A A . 7 TRP C 1 1
1 89 1 1 7 TRP CA C 8.585 -0.785 -5.236 1.00 . A A . 7 TRP CA 1 1
1 90 1 1 7 TRP CB C 9.549 -1.027 -6.399 1.00 . A A . 7 TRP CB 1 1
1 91 1 1 7 TRP CD1 C 9.390 0.968 -8.001 1.00 . A A . 7 TRP CD1 1 1
1 92 1 1 7 TRP CD2 C 8.410 -0.899 -8.755 1.00 . A A . 7 TRP CD2 1 1
1 93 1 1 7 TRP CE2 C 8.252 0.113 -9.722 1.00 . A A . 7 TRP CE2 1 1
1 94 1 1 7 TRP CE3 C 7.875 -2.165 -9.012 1.00 . A A . 7 TRP CE3 1 1
1 95 1 1 7 TRP CG C 9.141 -0.332 -7.663 1.00 . A A . 7 TRP CG 1 1
1 96 1 1 7 TRP CH2 C 7.068 -1.351 -11.148 1.00 . A A . 7 TRP CH2 1 1
1 97 1 1 7 TRP CZ2 C 7.581 -0.102 -10.923 1.00 . A A . 7 TRP CZ2 1 1
1 98 1 1 7 TRP CZ3 C 7.209 -2.377 -10.204 1.00 . A A . 7 TRP CZ3 1 1
1 99 1 1 7 TRP H H 7.034 -1.710 -6.341 1.00 . A A . 7 TRP H 1 1
1 100 1 1 7 TRP HA H 9.047 -1.128 -4.322 1.00 . A A . 7 TRP HA 1 1
1 101 1 1 7 TRP HB2 H 10.531 -0.670 -6.125 1.00 . A A . 7 TRP HB2 1 1
1 102 1 1 7 TRP HB3 H 9.599 -2.087 -6.602 1.00 . A A . 7 TRP HB3 1 1
1 103 1 1 7 TRP HD1 H 9.926 1.666 -7.377 1.00 . A A . 7 TRP HD1 1 1
1 104 1 1 7 TRP HE1 H 8.906 2.106 -9.698 1.00 . A A . 7 TRP HE1 1 1
1 105 1 1 7 TRP HE3 H 7.974 -2.968 -8.297 1.00 . A A . 7 TRP HE3 1 1
1 106 1 1 7 TRP HH2 H 6.540 -1.561 -12.065 1.00 . A A . 7 TRP HH2 1 1
1 107 1 1 7 TRP HZ2 H 7.464 0.678 -11.660 1.00 . A A . 7 TRP HZ2 1 1
1 108 1 1 7 TRP HZ3 H 6.789 -3.348 -10.420 1.00 . A A . 7 TRP HZ3 1 1
1 109 1 1 7 TRP N N 7.358 -1.548 -5.430 1.00 . A A . 7 TRP N 1 1
1 110 1 1 7 TRP NE1 N 8.858 1.242 -9.237 1.00 . A A . 7 TRP NE1 1 1
1 111 1 1 7 TRP O O 9.147 1.488 -4.708 1.00 . A A . 7 TRP O 1 1
1 112 1 1 8 CYS C C 6.952 3.067 -3.997 1.00 . A A . 8 CYS C 1 1
1 113 1 1 8 CYS CA C 6.648 2.485 -5.374 1.00 . A A . 8 CYS CA 1 1
1 114 1 1 8 CYS CB C 5.154 2.613 -5.676 1.00 . A A . 8 CYS CB 1 1
1 115 1 1 8 CYS H H 6.418 0.417 -5.762 1.00 . A A . 8 CYS H 1 1
1 116 1 1 8 CYS HA H 7.205 3.037 -6.116 1.00 . A A . 8 CYS HA 1 1
1 117 1 1 8 CYS HB2 H 4.916 3.655 -5.838 1.00 . A A . 8 CYS HB2 1 1
1 118 1 1 8 CYS HB3 H 4.925 2.054 -6.571 1.00 . A A . 8 CYS HB3 1 1
1 119 1 1 8 CYS N N 7.061 1.089 -5.450 1.00 . A A . 8 CYS N 1 1
1 120 1 1 8 CYS O O 6.936 4.284 -3.810 1.00 . A A . 8 CYS O 1 1
1 121 1 1 8 CYS SG S 4.071 2.000 -4.346 1.00 . A A . 8 CYS SG 1 1
2 122 1 1 1 GLY C C 1.008 -0.056 -2.612 1.00 . A A . 1 GLY C 1 1
2 123 1 1 1 GLY CA C 1.864 -0.277 -1.380 1.00 . A A . 1 GLY CA 1 1
2 124 1 1 1 GLY H1 H 2.176 -1.896 -0.051 1.00 . A A . 1 GLY H1 1 1
2 125 1 1 1 GLY HA2 H 1.482 0.332 -0.575 1.00 . A A . 1 GLY HA2 1 1
2 126 1 1 1 GLY HA3 H 2.876 0.027 -1.600 1.00 . A A . 1 GLY HA3 1 1
2 127 1 1 1 GLY N N 1.874 -1.665 -0.954 1.00 . A A . 1 GLY N 1 1
2 128 1 1 1 GLY O O -0.199 0.161 -2.507 1.00 . A A . 1 GLY O 1 1
2 129 1 1 2 CYS C C 0.812 -1.219 -5.815 1.00 . A A . 2 CYS C 1 1
2 130 1 1 2 CYS CA C 0.924 0.091 -5.040 1.00 . A A . 2 CYS CA 1 1
2 131 1 1 2 CYS CB C 1.639 1.141 -5.893 1.00 . A A . 2 CYS CB 1 1
2 132 1 1 2 CYS H H 2.599 -0.285 -3.802 1.00 . A A . 2 CYS H 1 1
2 133 1 1 2 CYS HA H -0.069 0.443 -4.808 1.00 . A A . 2 CYS HA 1 1
2 134 1 1 2 CYS HB2 H 2.533 0.704 -6.313 1.00 . A A . 2 CYS HB2 1 1
2 135 1 1 2 CYS HB3 H 0.984 1.448 -6.695 1.00 . A A . 2 CYS HB3 1 1
2 136 1 1 2 CYS N N 1.635 -0.108 -3.783 1.00 . A A . 2 CYS N 1 1
2 137 1 1 2 CYS O O 1.819 -1.849 -6.139 1.00 . A A . 2 CYS O 1 1
2 138 1 1 2 CYS SG S 2.131 2.635 -4.975 1.00 . A A . 2 CYS SG 1 1
2 139 1 1 3 VAL C C 0.094 -2.867 -8.168 1.00 . A A . 3 VAL C 1 1
2 140 1 1 3 VAL CA C -0.664 -2.858 -6.845 1.00 . A A . 3 VAL CA 1 1
2 141 1 1 3 VAL CB C -2.166 -3.056 -7.125 1.00 . A A . 3 VAL CB 1 1
2 142 1 1 3 VAL CG1 C -2.892 -3.494 -5.862 1.00 . A A . 3 VAL CG1 1 1
2 143 1 1 3 VAL CG2 C -2.776 -1.780 -7.685 1.00 . A A . 3 VAL CG2 1 1
2 144 1 1 3 VAL H H -1.182 -1.079 -5.822 1.00 . A A . 3 VAL H 1 1
2 145 1 1 3 VAL HA H -0.321 -3.683 -6.239 1.00 . A A . 3 VAL HA 1 1
2 146 1 1 3 VAL HB H -2.274 -3.836 -7.865 1.00 . A A . 3 VAL HB 1 1
2 147 1 1 3 VAL HG11 H -2.203 -4.017 -5.215 1.00 . A A . 3 VAL HG11 1 1
2 148 1 1 3 VAL HG12 H -3.280 -2.626 -5.350 1.00 . A A . 3 VAL HG12 1 1
2 149 1 1 3 VAL HG13 H -3.707 -4.151 -6.126 1.00 . A A . 3 VAL HG13 1 1
2 150 1 1 3 VAL HG21 H -1.988 -1.087 -7.942 1.00 . A A . 3 VAL HG21 1 1
2 151 1 1 3 VAL HG22 H -3.352 -2.013 -8.569 1.00 . A A . 3 VAL HG22 1 1
2 152 1 1 3 VAL HG23 H -3.421 -1.333 -6.944 1.00 . A A . 3 VAL HG23 1 1
2 153 1 1 3 VAL N N -0.420 -1.624 -6.108 1.00 . A A . 3 VAL N 1 1
2 154 1 1 3 VAL O O -0.142 -1.995 -9.003 1.00 . A A . 3 VAL O 1 1
2 155 1 1 4 . C C 3.145 -3.346 -9.318 1.00 . A A . 4 DLE C 1 1
2 156 1 1 4 . CA C 1.758 -3.949 -9.549 1.00 . A A . 4 DLE CA 1 1
2 157 1 1 4 . CB C 1.792 -5.399 -10.036 1.00 . A A . 4 DLE CB 1 1
2 158 1 1 4 . CD1 C 0.249 -7.201 -9.179 1.00 . A A . 4 DLE CD1 1 1
2 159 1 1 4 . CD2 C 0.247 -6.583 -11.639 1.00 . A A . 4 DLE CD2 1 1
2 160 1 1 4 . CG C 0.433 -6.082 -10.206 1.00 . A A . 4 DLE CG 1 1
2 161 1 1 4 . H H 1.164 -4.545 -7.643 1.00 . A A . 4 DLE H 1 1
2 162 1 1 4 . HA H 1.250 -3.364 -10.315 1.00 . A A . 4 DLE HA 1 1
2 163 1 1 4 . HB2 H 2.385 -5.984 -9.332 1.00 . A A . 4 DLE HB2 1 1
2 164 1 1 4 . HB3 H 2.314 -5.428 -10.992 1.00 . A A . 4 DLE HB3 1 1
2 165 1 1 4 . HD11 H 0.973 -7.993 -9.372 1.00 . A A . 4 DLE HD11 1 1
2 166 1 1 4 . HD12 H -0.760 -7.604 -9.258 1.00 . A A . 4 DLE HD12 1 1
2 167 1 1 4 . HD13 H 0.405 -6.803 -8.176 1.00 . A A . 4 DLE HD13 1 1
2 168 1 1 4 . HD21 H 1.135 -7.133 -11.950 1.00 . A A . 4 DLE HD21 1 1
2 169 1 1 4 . HD22 H 0.095 -5.733 -12.305 1.00 . A A . 4 DLE HD22 1 1
2 170 1 1 4 . HD23 H -0.622 -7.240 -11.685 1.00 . A A . 4 DLE HD23 1 1
2 171 1 1 4 . HG H -0.346 -5.343 -10.019 1.00 . A A . 4 DLE HG 1 1
2 172 1 1 4 . N N 0.978 -3.841 -8.328 1.00 . A A . 4 DLE N 1 1
2 173 1 1 4 . O O 4.168 -3.871 -9.758 1.00 . A A . 4 DLE O 1 1
2 174 1 1 5 TYR C C 4.660 -1.501 -6.804 1.00 . A A . 5 TYR C 1 1
2 175 1 1 5 TYR CA C 4.400 -1.522 -8.308 1.00 . A A . 5 TYR CA 1 1
2 176 1 1 5 TYR CB C 4.351 -0.092 -8.849 1.00 . A A . 5 TYR CB 1 1
2 177 1 1 5 TYR CD1 C 4.088 -0.934 -11.215 1.00 . A A . 5 TYR CD1 1 1
2 178 1 1 5 TYR CD2 C 2.917 1.045 -10.588 1.00 . A A . 5 TYR CD2 1 1
2 179 1 1 5 TYR CE1 C 3.564 -0.846 -12.490 1.00 . A A . 5 TYR CE1 1 1
2 180 1 1 5 TYR CE2 C 2.387 1.140 -11.860 1.00 . A A . 5 TYR CE2 1 1
2 181 1 1 5 TYR CG C 3.775 0.008 -10.243 1.00 . A A . 5 TYR CG 1 1
2 182 1 1 5 TYR CZ C 2.714 0.193 -12.808 1.00 . A A . 5 TYR CZ 1 1
2 183 1 1 5 TYR H H 2.310 -1.850 -8.287 1.00 . A A . 5 TYR H 1 1
2 184 1 1 5 TYR HA H 5.206 -2.053 -8.793 1.00 . A A . 5 TYR HA 1 1
2 185 1 1 5 TYR HB2 H 3.743 0.512 -8.194 1.00 . A A . 5 TYR HB2 1 1
2 186 1 1 5 TYR HB3 H 5.354 0.310 -8.874 1.00 . A A . 5 TYR HB3 1 1
2 187 1 1 5 TYR HD1 H 4.755 -1.746 -10.963 1.00 . A A . 5 TYR HD1 1 1
2 188 1 1 5 TYR HD2 H 2.663 1.786 -9.844 1.00 . A A . 5 TYR HD2 1 1
2 189 1 1 5 TYR HE1 H 3.820 -1.588 -13.233 1.00 . A A . 5 TYR HE1 1 1
2 190 1 1 5 TYR HE2 H 1.722 1.954 -12.109 1.00 . A A . 5 TYR HE2 1 1
2 191 1 1 5 TYR HH H 1.639 -0.482 -14.252 1.00 . A A . 5 TYR HH 1 1
2 192 1 1 5 TYR N N 3.157 -2.221 -8.611 1.00 . A A . 5 TYR N 1 1
2 193 1 1 5 TYR O O 4.493 -0.482 -6.134 1.00 . A A . 5 TYR O 1 1
2 194 1 1 5 TYR OH O 2.189 0.285 -14.077 1.00 . A A . 5 TYR OH 1 1
2 195 1 1 6 PRO C C 6.627 -2.028 -4.420 1.00 . A A . 6 PRO C 1 1
2 196 1 1 6 PRO CA C 5.374 -2.793 -4.832 1.00 . A A . 6 PRO CA 1 1
2 197 1 1 6 PRO CB C 5.586 -4.299 -4.660 1.00 . A A . 6 PRO CB 1 1
2 198 1 1 6 PRO CD C 5.302 -3.907 -7.000 1.00 . A A . 6 PRO CD 1 1
2 199 1 1 6 PRO CG C 6.016 -4.777 -6.004 1.00 . A A . 6 PRO CG 1 1
2 200 1 1 6 PRO HA H 4.542 -2.473 -4.222 1.00 . A A . 6 PRO HA 1 1
2 201 1 1 6 PRO HB2 H 6.349 -4.475 -3.914 1.00 . A A . 6 PRO HB2 1 1
2 202 1 1 6 PRO HB3 H 4.661 -4.764 -4.352 1.00 . A A . 6 PRO HB3 1 1
2 203 1 1 6 PRO HD2 H 5.923 -3.739 -7.868 1.00 . A A . 6 PRO HD2 1 1
2 204 1 1 6 PRO HD3 H 4.362 -4.355 -7.288 1.00 . A A . 6 PRO HD3 1 1
2 205 1 1 6 PRO HG2 H 7.084 -4.668 -6.108 1.00 . A A . 6 PRO HG2 1 1
2 206 1 1 6 PRO HG3 H 5.728 -5.810 -6.135 1.00 . A A . 6 PRO HG3 1 1
2 207 1 1 6 PRO N N 5.080 -2.653 -6.261 1.00 . A A . 6 PRO N 1 1
2 208 1 1 6 PRO O O 6.926 -1.902 -3.232 1.00 . A A . 6 PRO O 1 1
2 209 1 1 7 TRP C C 8.276 0.720 -4.986 1.00 . A A . 7 TRP C 1 1
2 210 1 1 7 TRP CA C 8.577 -0.766 -5.146 1.00 . A A . 7 TRP CA 1 1
2 211 1 1 7 TRP CB C 9.583 -0.977 -6.278 1.00 . A A . 7 TRP CB 1 1
2 212 1 1 7 TRP CD1 C 9.487 1.063 -7.827 1.00 . A A . 7 TRP CD1 1 1
2 213 1 1 7 TRP CD2 C 8.532 -0.778 -8.670 1.00 . A A . 7 TRP CD2 1 1
2 214 1 1 7 TRP CE2 C 8.412 0.262 -9.613 1.00 . A A . 7 TRP CE2 1 1
2 215 1 1 7 TRP CE3 C 8.005 -2.034 -8.983 1.00 . A A . 7 TRP CE3 1 1
2 216 1 1 7 TRP CG C 9.223 -0.245 -7.536 1.00 . A A . 7 TRP CG 1 1
2 217 1 1 7 TRP CH2 C 7.279 -1.157 -11.123 1.00 . A A . 7 TRP CH2 1 1
2 218 1 1 7 TRP CZ2 C 7.786 0.083 -10.843 1.00 . A A . 7 TRP CZ2 1 1
2 219 1 1 7 TRP CZ3 C 7.383 -2.210 -10.205 1.00 . A A . 7 TRP CZ3 1 1
2 220 1 1 7 TRP H H 7.065 -1.654 -6.334 1.00 . A A . 7 TRP H 1 1
2 221 1 1 7 TRP HA H 9.003 -1.136 -4.225 1.00 . A A . 7 TRP HA 1 1
2 222 1 1 7 TRP HB2 H 10.554 -0.632 -5.958 1.00 . A A . 7 TRP HB2 1 1
2 223 1 1 7 TRP HB3 H 9.637 -2.031 -6.510 1.00 . A A . 7 TRP HB3 1 1
2 224 1 1 7 TRP HD1 H 10.001 1.742 -7.163 1.00 . A A . 7 TRP HD1 1 1
2 225 1 1 7 TRP HE1 H 9.069 2.252 -9.507 1.00 . A A . 7 TRP HE1 1 1
2 226 1 1 7 TRP HE3 H 8.075 -2.858 -8.289 1.00 . A A . 7 TRP HE3 1 1
2 227 1 1 7 TRP HH2 H 6.785 -1.339 -12.065 1.00 . A A . 7 TRP HH2 1 1
2 228 1 1 7 TRP HZ2 H 7.698 0.885 -11.562 1.00 . A A . 7 TRP HZ2 1 1
2 229 1 1 7 TRP HZ3 H 6.969 -3.173 -10.464 1.00 . A A . 7 TRP HZ3 1 1
2 230 1 1 7 TRP N N 7.355 -1.520 -5.407 1.00 . A A . 7 TRP N 1 1
2 231 1 1 7 TRP NE1 N 9.002 1.375 -9.074 1.00 . A A . 7 TRP NE1 1 1
2 232 1 1 7 TRP O O 9.123 1.490 -4.532 1.00 . A A . 7 TRP O 1 1
2 233 1 1 8 CYS C C 6.906 3.055 -3.858 1.00 . A A . 8 CYS C 1 1
2 234 1 1 8 CYS CA C 6.652 2.512 -5.261 1.00 . A A . 8 CYS CA 1 1
2 235 1 1 8 CYS CB C 5.170 2.654 -5.615 1.00 . A A . 8 CYS CB 1 1
2 236 1 1 8 CYS H H 6.433 0.457 -5.717 1.00 . A A . 8 CYS H 1 1
2 237 1 1 8 CYS HA H 7.237 3.084 -5.966 1.00 . A A . 8 CYS HA 1 1
2 238 1 1 8 CYS HB2 H 4.940 3.700 -5.756 1.00 . A A . 8 CYS HB2 1 1
2 239 1 1 8 CYS HB3 H 4.974 2.121 -6.533 1.00 . A A . 8 CYS HB3 1 1
2 240 1 1 8 CYS N N 7.065 1.118 -5.362 1.00 . A A . 8 CYS N 1 1
2 241 1 1 8 CYS O O 6.754 4.250 -3.607 1.00 . A A . 8 CYS O 1 1
2 242 1 1 8 CYS SG S 4.037 2.006 -4.344 1.00 . A A . 8 CYS SG 1 1
3 243 1 1 1 GLY C C 1.261 0.424 -2.545 1.00 . A A . 1 GLY C 1 1
3 244 1 1 1 GLY CA C 2.118 0.166 -1.322 1.00 . A A . 1 GLY CA 1 1
3 245 1 1 1 GLY H1 H 1.441 -1.833 -1.156 1.00 . A A . 1 GLY H1 1 1
3 246 1 1 1 GLY HA2 H 1.694 0.694 -0.480 1.00 . A A . 1 GLY HA2 1 1
3 247 1 1 1 GLY HA3 H 3.112 0.546 -1.507 1.00 . A A . 1 GLY HA3 1 1
3 248 1 1 1 GLY N N 2.208 -1.245 -0.994 1.00 . A A . 1 GLY N 1 1
3 249 1 1 1 GLY O O 0.251 1.125 -2.469 1.00 . A A . 1 GLY O 1 1
3 250 1 1 2 CYS C C 0.816 -1.293 -5.678 1.00 . A A . 2 CYS C 1 1
3 251 1 1 2 CYS CA C 0.927 0.029 -4.924 1.00 . A A . 2 CYS CA 1 1
3 252 1 1 2 CYS CB C 1.612 1.076 -5.805 1.00 . A A . 2 CYS CB 1 1
3 253 1 1 2 CYS H H 2.476 -0.692 -3.675 1.00 . A A . 2 CYS H 1 1
3 254 1 1 2 CYS HA H -0.066 0.373 -4.678 1.00 . A A . 2 CYS HA 1 1
3 255 1 1 2 CYS HB2 H 2.504 0.644 -6.235 1.00 . A A . 2 CYS HB2 1 1
3 256 1 1 2 CYS HB3 H 0.939 1.364 -6.598 1.00 . A A . 2 CYS HB3 1 1
3 257 1 1 2 CYS N N 1.663 -0.144 -3.677 1.00 . A A . 2 CYS N 1 1
3 258 1 1 2 CYS O O 1.824 -1.915 -6.013 1.00 . A A . 2 CYS O 1 1
3 259 1 1 2 CYS SG S 2.103 2.588 -4.916 1.00 . A A . 2 CYS SG 1 1
3 260 1 1 3 VAL C C 0.074 -2.981 -7.994 1.00 . A A . 3 VAL C 1 1
3 261 1 1 3 VAL CA C -0.659 -2.963 -6.657 1.00 . A A . 3 VAL CA 1 1
3 262 1 1 3 VAL CB C -2.163 -3.183 -6.906 1.00 . A A . 3 VAL CB 1 1
3 263 1 1 3 VAL CG1 C -2.859 -3.613 -5.623 1.00 . A A . 3 VAL CG1 1 1
3 264 1 1 3 VAL CG2 C -2.799 -1.923 -7.471 1.00 . A A . 3 VAL CG2 1 1
3 265 1 1 3 VAL H H -1.179 -1.177 -5.649 1.00 . A A . 3 VAL H 1 1
3 266 1 1 3 VAL HA H -0.294 -3.776 -6.046 1.00 . A A . 3 VAL HA 1 1
3 267 1 1 3 VAL HB H -2.275 -3.975 -7.632 1.00 . A A . 3 VAL HB 1 1
3 268 1 1 3 VAL HG11 H -2.627 -2.911 -4.836 1.00 . A A . 3 VAL HG11 1 1
3 269 1 1 3 VAL HG12 H -3.927 -3.636 -5.784 1.00 . A A . 3 VAL HG12 1 1
3 270 1 1 3 VAL HG13 H -2.516 -4.597 -5.340 1.00 . A A . 3 VAL HG13 1 1
3 271 1 1 3 VAL HG21 H -3.388 -2.176 -8.340 1.00 . A A . 3 VAL HG21 1 1
3 272 1 1 3 VAL HG22 H -3.437 -1.474 -6.723 1.00 . A A . 3 VAL HG22 1 1
3 273 1 1 3 VAL HG23 H -2.026 -1.223 -7.751 1.00 . A A . 3 VAL HG23 1 1
3 274 1 1 3 VAL N N -0.416 -1.716 -5.942 1.00 . A A . 3 VAL N 1 1
3 275 1 1 3 VAL O O -0.188 -2.125 -8.837 1.00 . A A . 3 VAL O 1 1
3 276 1 1 4 . C C 3.108 -3.440 -9.196 1.00 . A A . 4 DLE C 1 1
3 277 1 1 4 . CA C 1.725 -4.063 -9.392 1.00 . A A . 4 DLE CA 1 1
3 278 1 1 4 . CB C 1.767 -5.519 -9.860 1.00 . A A . 4 DLE CB 1 1
3 279 1 1 4 . CD1 C -0.652 -5.808 -10.512 1.00 . A A . 4 DLE CD1 1 1
3 280 1 1 4 . CD2 C 1.137 -7.266 -11.566 1.00 . A A . 4 DLE CD2 1 1
3 281 1 1 4 . CG C 0.801 -5.890 -10.986 1.00 . A A . 4 DLE CG 1 1
3 282 1 1 4 . H H 1.174 -4.640 -7.468 1.00 . A A . 4 DLE H 1 1
3 283 1 1 4 . HA H 1.195 -3.495 -10.156 1.00 . A A . 4 DLE HA 1 1
3 284 1 1 4 . HB2 H 1.560 -6.161 -9.004 1.00 . A A . 4 DLE HB2 1 1
3 285 1 1 4 . HB3 H 2.782 -5.745 -10.189 1.00 . A A . 4 DLE HB3 1 1
3 286 1 1 4 . HD11 H -1.085 -6.808 -10.493 1.00 . A A . 4 DLE HD11 1 1
3 287 1 1 4 . HD12 H -1.222 -5.178 -11.195 1.00 . A A . 4 DLE HD12 1 1
3 288 1 1 4 . HD13 H -0.683 -5.379 -9.510 1.00 . A A . 4 DLE HD13 1 1
3 289 1 1 4 . HD21 H 1.693 -7.142 -12.496 1.00 . A A . 4 DLE HD21 1 1
3 290 1 1 4 . HD22 H 0.215 -7.811 -11.765 1.00 . A A . 4 DLE HD22 1 1
3 291 1 1 4 . HD23 H 1.743 -7.823 -10.852 1.00 . A A . 4 DLE HD23 1 1
3 292 1 1 4 . HG H 0.918 -5.164 -11.790 1.00 . A A . 4 DLE HG 1 1
3 293 1 1 4 . N N 0.966 -3.947 -8.158 1.00 . A A . 4 DLE N 1 1
3 294 1 1 4 . O O 4.129 -3.959 -9.649 1.00 . A A . 4 DLE O 1 1
3 295 1 1 5 TYR C C 4.648 -1.542 -6.737 1.00 . A A . 5 TYR C 1 1
3 296 1 1 5 TYR CA C 4.360 -1.588 -8.235 1.00 . A A . 5 TYR CA 1 1
3 297 1 1 5 TYR CB C 4.284 -0.166 -8.795 1.00 . A A . 5 TYR CB 1 1
3 298 1 1 5 TYR CD1 C 3.986 -1.044 -11.144 1.00 . A A . 5 TYR CD1 1 1
3 299 1 1 5 TYR CD2 C 2.803 0.929 -10.522 1.00 . A A . 5 TYR CD2 1 1
3 300 1 1 5 TYR CE1 C 3.437 -0.980 -12.410 1.00 . A A . 5 TYR CE1 1 1
3 301 1 1 5 TYR CE2 C 2.248 1.000 -11.785 1.00 . A A . 5 TYR CE2 1 1
3 302 1 1 5 TYR CG C 3.679 -0.092 -10.179 1.00 . A A . 5 TYR CG 1 1
3 303 1 1 5 TYR CZ C 2.568 0.043 -12.725 1.00 . A A . 5 TYR CZ 1 1
3 304 1 1 5 TYR H H 2.275 -1.941 -8.169 1.00 . A A . 5 TYR H 1 1
3 305 1 1 5 TYR HA H 5.163 -2.116 -8.728 1.00 . A A . 5 TYR HA 1 1
3 306 1 1 5 TYR HB2 H 3.680 0.440 -8.137 1.00 . A A . 5 TYR HB2 1 1
3 307 1 1 5 TYR HB3 H 5.280 0.248 -8.845 1.00 . A A . 5 TYR HB3 1 1
3 308 1 1 5 TYR HD1 H 4.667 -1.845 -10.893 1.00 . A A . 5 TYR HD1 1 1
3 309 1 1 5 TYR HD2 H 2.554 1.677 -9.783 1.00 . A A . 5 TYR HD2 1 1
3 310 1 1 5 TYR HE1 H 3.688 -1.729 -13.146 1.00 . A A . 5 TYR HE1 1 1
3 311 1 1 5 TYR HE2 H 1.568 1.802 -12.033 1.00 . A A . 5 TYR HE2 1 1
3 312 1 1 5 TYR HH H 2.463 -0.514 -14.562 1.00 . A A . 5 TYR HH 1 1
3 313 1 1 5 TYR N N 3.120 -2.305 -8.505 1.00 . A A . 5 TYR N 1 1
3 314 1 1 5 TYR O O 4.481 -0.515 -6.078 1.00 . A A . 5 TYR O 1 1
3 315 1 1 5 TYR OH O 2.019 0.111 -13.985 1.00 . A A . 5 TYR OH 1 1
3 316 1 1 6 PRO C C 6.666 -2.012 -4.383 1.00 . A A . 6 PRO C 1 1
3 317 1 1 6 PRO CA C 5.415 -2.798 -4.761 1.00 . A A . 6 PRO CA 1 1
3 318 1 1 6 PRO CB C 5.649 -4.298 -4.572 1.00 . A A . 6 PRO CB 1 1
3 319 1 1 6 PRO CD C 5.315 -3.943 -6.912 1.00 . A A . 6 PRO CD 1 1
3 320 1 1 6 PRO CG C 6.058 -4.790 -5.917 1.00 . A A . 6 PRO CG 1 1
3 321 1 1 6 PRO HA H 4.590 -2.479 -4.140 1.00 . A A . 6 PRO HA 1 1
3 322 1 1 6 PRO HB2 H 6.428 -4.454 -3.839 1.00 . A A . 6 PRO HB2 1 1
3 323 1 1 6 PRO HB3 H 4.736 -4.770 -4.240 1.00 . A A . 6 PRO HB3 1 1
3 324 1 1 6 PRO HD2 H 5.918 -3.779 -7.793 1.00 . A A . 6 PRO HD2 1 1
3 325 1 1 6 PRO HD3 H 4.376 -4.406 -7.175 1.00 . A A . 6 PRO HD3 1 1
3 326 1 1 6 PRO HG2 H 7.123 -4.670 -6.043 1.00 . A A . 6 PRO HG2 1 1
3 327 1 1 6 PRO HG3 H 5.781 -5.828 -6.028 1.00 . A A . 6 PRO HG3 1 1
3 328 1 1 6 PRO N N 5.093 -2.681 -6.186 1.00 . A A . 6 PRO N 1 1
3 329 1 1 6 PRO O O 6.985 -1.865 -3.203 1.00 . A A . 6 PRO O 1 1
3 330 1 1 7 TRP C C 8.270 0.748 -5.019 1.00 . A A . 7 TRP C 1 1
3 331 1 1 7 TRP CA C 8.586 -0.737 -5.164 1.00 . A A . 7 TRP CA 1 1
3 332 1 1 7 TRP CB C 9.573 -0.952 -6.312 1.00 . A A . 7 TRP CB 1 1
3 333 1 1 7 TRP CD1 C 9.424 1.065 -7.886 1.00 . A A . 7 TRP CD1 1 1
3 334 1 1 7 TRP CD2 C 8.475 -0.799 -8.686 1.00 . A A . 7 TRP CD2 1 1
3 335 1 1 7 TRP CE2 C 8.325 0.226 -9.640 1.00 . A A . 7 TRP CE2 1 1
3 336 1 1 7 TRP CE3 C 7.957 -2.065 -8.972 1.00 . A A . 7 TRP CE3 1 1
3 337 1 1 7 TRP CG C 9.181 -0.241 -7.573 1.00 . A A . 7 TRP CG 1 1
3 338 1 1 7 TRP CH2 C 7.180 -1.227 -11.109 1.00 . A A . 7 TRP CH2 1 1
3 339 1 1 7 TRP CZ2 C 7.678 0.023 -10.856 1.00 . A A . 7 TRP CZ2 1 1
3 340 1 1 7 TRP CZ3 C 7.315 -2.266 -10.179 1.00 . A A . 7 TRP CZ3 1 1
3 341 1 1 7 TRP H H 7.063 -1.659 -6.310 1.00 . A A . 7 TRP H 1 1
3 342 1 1 7 TRP HA H 9.034 -1.089 -4.246 1.00 . A A . 7 TRP HA 1 1
3 343 1 1 7 TRP HB2 H 10.546 -0.590 -6.015 1.00 . A A . 7 TRP HB2 1 1
3 344 1 1 7 TRP HB3 H 9.636 -2.008 -6.530 1.00 . A A . 7 TRP HB3 1 1
3 345 1 1 7 TRP HD1 H 9.942 1.759 -7.242 1.00 . A A . 7 TRP HD1 1 1
3 346 1 1 7 TRP HE1 H 8.959 2.225 -9.575 1.00 . A A . 7 TRP HE1 1 1
3 347 1 1 7 TRP HE3 H 8.051 -2.879 -8.268 1.00 . A A . 7 TRP HE3 1 1
3 348 1 1 7 TRP HH2 H 6.671 -1.428 -12.039 1.00 . A A . 7 TRP HH2 1 1
3 349 1 1 7 TRP HZ2 H 7.567 0.813 -11.584 1.00 . A A . 7 TRP HZ2 1 1
3 350 1 1 7 TRP HZ3 H 6.908 -3.237 -10.417 1.00 . A A . 7 TRP HZ3 1 1
3 351 1 1 7 TRP N N 7.369 -1.509 -5.391 1.00 . A A . 7 TRP N 1 1
3 352 1 1 7 TRP NE1 N 8.911 1.354 -9.128 1.00 . A A . 7 TRP NE1 1 1
3 353 1 1 7 TRP O O 9.116 1.534 -4.592 1.00 . A A . 7 TRP O 1 1
3 354 1 1 8 CYS C C 6.893 3.081 -3.897 1.00 . A A . 8 CYS C 1 1
3 355 1 1 8 CYS CA C 6.619 2.516 -5.288 1.00 . A A . 8 CYS CA 1 1
3 356 1 1 8 CYS CB C 5.129 2.635 -5.615 1.00 . A A . 8 CYS CB 1 1
3 357 1 1 8 CYS H H 6.417 0.452 -5.711 1.00 . A A . 8 CYS H 1 1
3 358 1 1 8 CYS HA H 7.184 3.085 -6.011 1.00 . A A . 8 CYS HA 1 1
3 359 1 1 8 CYS HB2 H 4.884 3.676 -5.766 1.00 . A A . 8 CYS HB2 1 1
3 360 1 1 8 CYS HB3 H 4.923 2.087 -6.522 1.00 . A A . 8 CYS HB3 1 1
3 361 1 1 8 CYS N N 7.047 1.126 -5.378 1.00 . A A . 8 CYS N 1 1
3 362 1 1 8 CYS O O 7.239 4.253 -3.750 1.00 . A A . 8 CYS O 1 1
3 363 1 1 8 CYS SG S 4.029 1.991 -4.314 1.00 . A A . 8 CYS SG 1 1
4 364 1 1 1 GLY C C 0.146 0.478 -2.966 1.00 . A A . 1 GLY C 1 1
4 365 1 1 1 GLY CA C 0.508 0.238 -1.514 1.00 . A A . 1 GLY CA 1 1
4 366 1 1 1 GLY H1 H 0.408 1.387 0.263 1.00 . A A . 1 GLY H1 1 1
4 367 1 1 1 GLY HA2 H 1.582 0.163 -1.429 1.00 . A A . 1 GLY HA2 1 1
4 368 1 1 1 GLY HA3 H 0.066 -0.694 -1.194 1.00 . A A . 1 GLY HA3 1 1
4 369 1 1 1 GLY N N 0.041 1.301 -0.643 1.00 . A A . 1 GLY N 1 1
4 370 1 1 1 GLY O O -0.953 0.943 -3.271 1.00 . A A . 1 GLY O 1 1
4 371 1 1 2 CYS C C 0.715 -0.998 -6.002 1.00 . A A . 2 CYS C 1 1
4 372 1 1 2 CYS CA C 0.847 0.347 -5.293 1.00 . A A . 2 CYS CA 1 1
4 373 1 1 2 CYS CB C 1.992 1.152 -5.911 1.00 . A A . 2 CYS CB 1 1
4 374 1 1 2 CYS H H 1.929 -0.205 -3.560 1.00 . A A . 2 CYS H 1 1
4 375 1 1 2 CYS HA H -0.074 0.897 -5.416 1.00 . A A . 2 CYS HA 1 1
4 376 1 1 2 CYS HB2 H 2.870 0.525 -5.972 1.00 . A A . 2 CYS HB2 1 1
4 377 1 1 2 CYS HB3 H 1.708 1.462 -6.906 1.00 . A A . 2 CYS HB3 1 1
4 378 1 1 2 CYS N N 1.072 0.162 -3.865 1.00 . A A . 2 CYS N 1 1
4 379 1 1 2 CYS O O 1.712 -1.655 -6.301 1.00 . A A . 2 CYS O 1 1
4 380 1 1 2 CYS SG S 2.443 2.646 -4.972 1.00 . A A . 2 CYS SG 1 1
4 381 1 1 3 VAL C C -0.078 -2.728 -8.291 1.00 . A A . 3 VAL C 1 1
4 382 1 1 3 VAL CA C -0.787 -2.666 -6.943 1.00 . A A . 3 VAL CA 1 1
4 383 1 1 3 VAL CB C -2.296 -2.884 -7.158 1.00 . A A . 3 VAL CB 1 1
4 384 1 1 3 VAL CG1 C -2.974 -3.256 -5.848 1.00 . A A . 3 VAL CG1 1 1
4 385 1 1 3 VAL CG2 C -2.932 -1.642 -7.764 1.00 . A A . 3 VAL CG2 1 1
4 386 1 1 3 VAL H H -1.278 -0.834 -6.005 1.00 . A A . 3 VAL H 1 1
4 387 1 1 3 VAL HA H -0.415 -3.463 -6.315 1.00 . A A . 3 VAL HA 1 1
4 388 1 1 3 VAL HB H -2.426 -3.703 -7.850 1.00 . A A . 3 VAL HB 1 1
4 389 1 1 3 VAL HG11 H -2.470 -2.762 -5.030 1.00 . A A . 3 VAL HG11 1 1
4 390 1 1 3 VAL HG12 H -4.008 -2.944 -5.876 1.00 . A A . 3 VAL HG12 1 1
4 391 1 1 3 VAL HG13 H -2.925 -4.325 -5.708 1.00 . A A . 3 VAL HG13 1 1
4 392 1 1 3 VAL HG21 H -2.158 -0.959 -8.079 1.00 . A A . 3 VAL HG21 1 1
4 393 1 1 3 VAL HG22 H -3.533 -1.924 -8.617 1.00 . A A . 3 VAL HG22 1 1
4 394 1 1 3 VAL HG23 H -3.558 -1.162 -7.027 1.00 . A A . 3 VAL HG23 1 1
4 395 1 1 3 VAL N N -0.523 -1.401 -6.268 1.00 . A A . 3 VAL N 1 1
4 396 1 1 3 VAL O O -0.350 -1.894 -9.153 1.00 . A A . 3 VAL O 1 1
4 397 1 1 4 . C C 2.948 -3.285 -9.518 1.00 . A A . 4 DLE C 1 1
4 398 1 1 4 . CA C 1.540 -3.861 -9.687 1.00 . A A . 4 DLE CA 1 1
4 399 1 1 4 . CB C 1.524 -5.323 -10.138 1.00 . A A . 4 DLE CB 1 1
4 400 1 1 4 . CD1 C 2.892 -7.418 -9.828 1.00 . A A . 4 DLE CD1 1 1
4 401 1 1 4 . CD2 C 0.920 -6.945 -8.304 1.00 . A A . 4 DLE CD2 1 1
4 402 1 1 4 . CG C 2.058 -6.342 -9.130 1.00 . A A . 4 DLE CG 1 1
4 403 1 1 4 . H H 1.020 -4.378 -7.737 1.00 . A A . 4 DLE H 1 1
4 404 1 1 4 . HA H 1.019 -3.282 -10.450 1.00 . A A . 4 DLE HA 1 1
4 405 1 1 4 . HB2 H 2.109 -5.406 -11.054 1.00 . A A . 4 DLE HB2 1 1
4 406 1 1 4 . HB3 H 0.498 -5.593 -10.390 1.00 . A A . 4 DLE HB3 1 1
4 407 1 1 4 . HD11 H 3.486 -7.954 -9.088 1.00 . A A . 4 DLE HD11 1 1
4 408 1 1 4 . HD12 H 3.555 -6.949 -10.555 1.00 . A A . 4 DLE HD12 1 1
4 409 1 1 4 . HD13 H 2.229 -8.117 -10.338 1.00 . A A . 4 DLE HD13 1 1
4 410 1 1 4 . HD21 H 1.066 -8.021 -8.215 1.00 . A A . 4 DLE HD21 1 1
4 411 1 1 4 . HD22 H -0.032 -6.748 -8.799 1.00 . A A . 4 DLE HD22 1 1
4 412 1 1 4 . HD23 H 0.913 -6.495 -7.312 1.00 . A A . 4 DLE HD23 1 1
4 413 1 1 4 . HG H 2.719 -5.822 -8.436 1.00 . A A . 4 DLE HG 1 1
4 414 1 1 4 . N N 0.805 -3.704 -8.443 1.00 . A A . 4 DLE N 1 1
4 415 1 1 4 . O O 3.919 -3.751 -10.114 1.00 . A A . 4 DLE O 1 1
4 416 1 1 5 TYR C C 4.748 -1.816 -6.977 1.00 . A A . 5 TYR C 1 1
4 417 1 1 5 TYR CA C 4.308 -1.592 -8.421 1.00 . A A . 5 TYR CA 1 1
4 418 1 1 5 TYR CB C 4.197 -0.093 -8.705 1.00 . A A . 5 TYR CB 1 1
4 419 1 1 5 TYR CD1 C 3.636 -0.531 -11.128 1.00 . A A . 5 TYR CD1 1 1
4 420 1 1 5 TYR CD2 C 2.555 1.289 -10.034 1.00 . A A . 5 TYR CD2 1 1
4 421 1 1 5 TYR CE1 C 2.955 -0.241 -12.294 1.00 . A A . 5 TYR CE1 1 1
4 422 1 1 5 TYR CE2 C 1.868 1.586 -11.195 1.00 . A A . 5 TYR CE2 1 1
4 423 1 1 5 TYR CG C 3.449 0.228 -9.979 1.00 . A A . 5 TYR CG 1 1
4 424 1 1 5 TYR CZ C 2.072 0.818 -12.323 1.00 . A A . 5 TYR CZ 1 1
4 425 1 1 5 TYR H H 2.226 -1.927 -8.241 1.00 . A A . 5 TYR H 1 1
4 426 1 1 5 TYR HA H 5.048 -2.020 -9.081 1.00 . A A . 5 TYR HA 1 1
4 427 1 1 5 TYR HB2 H 3.679 0.384 -7.887 1.00 . A A . 5 TYR HB2 1 1
4 428 1 1 5 TYR HB3 H 5.190 0.325 -8.788 1.00 . A A . 5 TYR HB3 1 1
4 429 1 1 5 TYR HD1 H 4.328 -1.361 -11.101 1.00 . A A . 5 TYR HD1 1 1
4 430 1 1 5 TYR HD2 H 2.397 1.889 -9.149 1.00 . A A . 5 TYR HD2 1 1
4 431 1 1 5 TYR HE1 H 3.115 -0.842 -13.177 1.00 . A A . 5 TYR HE1 1 1
4 432 1 1 5 TYR HE2 H 1.177 2.416 -11.219 1.00 . A A . 5 TYR HE2 1 1
4 433 1 1 5 TYR HH H 0.670 0.486 -13.595 1.00 . A A . 5 TYR HH 1 1
4 434 1 1 5 TYR N N 3.036 -2.253 -8.686 1.00 . A A . 5 TYR N 1 1
4 435 1 1 5 TYR O O 4.639 -0.935 -6.124 1.00 . A A . 5 TYR O 1 1
4 436 1 1 5 TYR OH O 1.391 1.110 -13.482 1.00 . A A . 5 TYR OH 1 1
4 437 1 1 6 PRO C C 7.001 -2.656 -4.964 1.00 . A A . 6 PRO C 1 1
4 438 1 1 6 PRO CA C 5.726 -3.394 -5.357 1.00 . A A . 6 PRO CA 1 1
4 439 1 1 6 PRO CB C 5.993 -4.897 -5.476 1.00 . A A . 6 PRO CB 1 1
4 440 1 1 6 PRO CD C 5.417 -4.123 -7.664 1.00 . A A . 6 PRO CD 1 1
4 441 1 1 6 PRO CG C 6.267 -5.119 -6.924 1.00 . A A . 6 PRO CG 1 1
4 442 1 1 6 PRO HA H 4.966 -3.220 -4.609 1.00 . A A . 6 PRO HA 1 1
4 443 1 1 6 PRO HB2 H 6.845 -5.163 -4.867 1.00 . A A . 6 PRO HB2 1 1
4 444 1 1 6 PRO HB3 H 5.124 -5.448 -5.151 1.00 . A A . 6 PRO HB3 1 1
4 445 1 1 6 PRO HD2 H 5.925 -3.782 -8.554 1.00 . A A . 6 PRO HD2 1 1
4 446 1 1 6 PRO HD3 H 4.461 -4.556 -7.915 1.00 . A A . 6 PRO HD3 1 1
4 447 1 1 6 PRO HG2 H 7.313 -4.946 -7.130 1.00 . A A . 6 PRO HG2 1 1
4 448 1 1 6 PRO HG3 H 5.990 -6.125 -7.199 1.00 . A A . 6 PRO HG3 1 1
4 449 1 1 6 PRO N N 5.258 -3.025 -6.696 1.00 . A A . 6 PRO N 1 1
4 450 1 1 6 PRO O O 7.439 -2.721 -3.815 1.00 . A A . 6 PRO O 1 1
4 451 1 1 7 TRP C C 8.504 0.217 -5.223 1.00 . A A . 7 TRP C 1 1
4 452 1 1 7 TRP CA C 8.818 -1.204 -5.678 1.00 . A A . 7 TRP CA 1 1
4 453 1 1 7 TRP CB C 9.682 -1.169 -6.940 1.00 . A A . 7 TRP CB 1 1
4 454 1 1 7 TRP CD1 C 9.312 1.087 -8.098 1.00 . A A . 7 TRP CD1 1 1
4 455 1 1 7 TRP CD2 C 8.340 -0.647 -9.129 1.00 . A A . 7 TRP CD2 1 1
4 456 1 1 7 TRP CE2 C 8.062 0.524 -9.860 1.00 . A A . 7 TRP CE2 1 1
4 457 1 1 7 TRP CE3 C 7.832 -1.865 -9.589 1.00 . A A . 7 TRP CE3 1 1
4 458 1 1 7 TRP CG C 9.141 -0.265 -8.006 1.00 . A A . 7 TRP CG 1 1
4 459 1 1 7 TRP CH2 C 6.813 -0.696 -11.452 1.00 . A A . 7 TRP CH2 1 1
4 460 1 1 7 TRP CZ2 C 7.298 0.511 -11.024 1.00 . A A . 7 TRP CZ2 1 1
4 461 1 1 7 TRP CZ3 C 7.074 -1.877 -10.744 1.00 . A A . 7 TRP CZ3 1 1
4 462 1 1 7 TRP H H 7.196 -1.942 -6.821 1.00 . A A . 7 TRP H 1 1
4 463 1 1 7 TRP HA H 9.363 -1.709 -4.894 1.00 . A A . 7 TRP HA 1 1
4 464 1 1 7 TRP HB2 H 10.672 -0.825 -6.682 1.00 . A A . 7 TRP HB2 1 1
4 465 1 1 7 TRP HB3 H 9.747 -2.167 -7.350 1.00 . A A . 7 TRP HB3 1 1
4 466 1 1 7 TRP HD1 H 9.874 1.678 -7.391 1.00 . A A . 7 TRP HD1 1 1
4 467 1 1 7 TRP HE1 H 8.642 2.506 -9.493 1.00 . A A . 7 TRP HE1 1 1
4 468 1 1 7 TRP HE3 H 8.022 -2.786 -9.057 1.00 . A A . 7 TRP HE3 1 1
4 469 1 1 7 TRP HH2 H 6.216 -0.752 -12.349 1.00 . A A . 7 TRP HH2 1 1
4 470 1 1 7 TRP HZ2 H 7.089 1.412 -11.582 1.00 . A A . 7 TRP HZ2 1 1
4 471 1 1 7 TRP HZ3 H 6.672 -2.808 -11.115 1.00 . A A . 7 TRP HZ3 1 1
4 472 1 1 7 TRP N N 7.593 -1.955 -5.925 1.00 . A A . 7 TRP N 1 1
4 473 1 1 7 TRP NE1 N 8.665 1.568 -9.210 1.00 . A A . 7 TRP NE1 1 1
4 474 1 1 7 TRP O O 9.409 1.013 -4.970 1.00 . A A . 7 TRP O 1 1
4 475 1 1 8 CYS C C 7.466 2.260 -3.393 1.00 . A A . 8 CYS C 1 1
4 476 1 1 8 CYS CA C 6.783 1.855 -4.696 1.00 . A A . 8 CYS CA 1 1
4 477 1 1 8 CYS CB C 5.263 1.884 -4.518 1.00 . A A . 8 CYS CB 1 1
4 478 1 1 8 CYS H H 6.541 -0.148 -5.336 1.00 . A A . 8 CYS H 1 1
4 479 1 1 8 CYS HA H 7.060 2.558 -5.467 1.00 . A A . 8 CYS HA 1 1
4 480 1 1 8 CYS HB2 H 4.870 0.893 -4.689 1.00 . A A . 8 CYS HB2 1 1
4 481 1 1 8 CYS HB3 H 5.033 2.189 -3.508 1.00 . A A . 8 CYS HB3 1 1
4 482 1 1 8 CYS N N 7.217 0.530 -5.121 1.00 . A A . 8 CYS N 1 1
4 483 1 1 8 CYS O O 8.105 1.439 -2.735 1.00 . A A . 8 CYS O 1 1
4 484 1 1 8 CYS SG S 4.404 3.023 -5.651 1.00 . A A . 8 CYS SG 1 1
5 485 1 1 1 GLY C C 0.191 0.692 -2.953 1.00 . A A . 1 GLY C 1 1
5 486 1 1 1 GLY CA C 0.551 0.596 -1.484 1.00 . A A . 1 GLY CA 1 1
5 487 1 1 1 GLY H1 H -0.412 2.207 -0.505 1.00 . A A . 1 GLY H1 1 1
5 488 1 1 1 GLY HA2 H 1.561 0.224 -1.394 1.00 . A A . 1 GLY HA2 1 1
5 489 1 1 1 GLY HA3 H -0.122 -0.101 -1.006 1.00 . A A . 1 GLY HA3 1 1
5 490 1 1 1 GLY N N 0.460 1.875 -0.805 1.00 . A A . 1 GLY N 1 1
5 491 1 1 1 GLY O O -0.925 1.077 -3.303 1.00 . A A . 1 GLY O 1 1
5 492 1 1 2 CYS C C 0.821 -1.011 -5.842 1.00 . A A . 2 CYS C 1 1
5 493 1 1 2 CYS CA C 0.919 0.395 -5.257 1.00 . A A . 2 CYS CA 1 1
5 494 1 1 2 CYS CB C 2.050 1.166 -5.940 1.00 . A A . 2 CYS CB 1 1
5 495 1 1 2 CYS H H 2.010 0.045 -3.477 1.00 . A A . 2 CYS H 1 1
5 496 1 1 2 CYS HA H -0.013 0.910 -5.432 1.00 . A A . 2 CYS HA 1 1
5 497 1 1 2 CYS HB2 H 2.942 0.557 -5.940 1.00 . A A . 2 CYS HB2 1 1
5 498 1 1 2 CYS HB3 H 1.765 1.379 -6.960 1.00 . A A . 2 CYS HB3 1 1
5 499 1 1 2 CYS N N 1.139 0.344 -3.817 1.00 . A A . 2 CYS N 1 1
5 500 1 1 2 CYS O O 1.834 -1.669 -6.078 1.00 . A A . 2 CYS O 1 1
5 501 1 1 2 CYS SG S 2.462 2.748 -5.137 1.00 . A A . 2 CYS SG 1 1
5 502 1 1 3 VAL C C 0.077 -2.957 -7.970 1.00 . A A . 3 VAL C 1 1
5 503 1 1 3 VAL CA C -0.638 -2.791 -6.634 1.00 . A A . 3 VAL CA 1 1
5 504 1 1 3 VAL CB C -2.142 -3.062 -6.832 1.00 . A A . 3 VAL CB 1 1
5 505 1 1 3 VAL CG1 C -2.817 -3.330 -5.496 1.00 . A A . 3 VAL CG1 1 1
5 506 1 1 3 VAL CG2 C -2.803 -1.894 -7.549 1.00 . A A . 3 VAL CG2 1 1
5 507 1 1 3 VAL H H -1.175 -0.893 -5.867 1.00 . A A . 3 VAL H 1 1
5 508 1 1 3 VAL HA H -0.252 -3.520 -5.937 1.00 . A A . 3 VAL HA 1 1
5 509 1 1 3 VAL HB H -2.250 -3.943 -7.448 1.00 . A A . 3 VAL HB 1 1
5 510 1 1 3 VAL HG11 H -2.671 -4.364 -5.220 1.00 . A A . 3 VAL HG11 1 1
5 511 1 1 3 VAL HG12 H -2.386 -2.690 -4.740 1.00 . A A . 3 VAL HG12 1 1
5 512 1 1 3 VAL HG13 H -3.874 -3.126 -5.580 1.00 . A A . 3 VAL HG13 1 1
5 513 1 1 3 VAL HG21 H -2.043 -1.225 -7.922 1.00 . A A . 3 VAL HG21 1 1
5 514 1 1 3 VAL HG22 H -3.393 -2.265 -8.374 1.00 . A A . 3 VAL HG22 1 1
5 515 1 1 3 VAL HG23 H -3.443 -1.365 -6.859 1.00 . A A . 3 VAL HG23 1 1
5 516 1 1 3 VAL N N -0.407 -1.464 -6.075 1.00 . A A . 3 VAL N 1 1
5 517 1 1 3 VAL O O -0.210 -2.209 -8.904 1.00 . A A . 3 VAL O 1 1
5 518 1 1 4 . C C 3.120 -3.552 -9.135 1.00 . A A . 4 DLE C 1 1
5 519 1 1 4 . CA C 1.727 -4.172 -9.255 1.00 . A A . 4 DLE CA 1 1
5 520 1 1 4 . CB C 1.746 -5.669 -9.574 1.00 . A A . 4 DLE CB 1 1
5 521 1 1 4 . CD1 C -0.326 -6.808 -10.453 1.00 . A A . 4 DLE CD1 1 1
5 522 1 1 4 . CD2 C 1.855 -6.953 -11.741 1.00 . A A . 4 DLE CD2 1 1
5 523 1 1 4 . CG C 0.977 -6.097 -10.825 1.00 . A A . 4 DLE CG 1 1
5 524 1 1 4 . H H 1.210 -4.525 -7.268 1.00 . A A . 4 DLE H 1 1
5 525 1 1 4 . HA H 1.196 -3.676 -10.068 1.00 . A A . 4 DLE HA 1 1
5 526 1 1 4 . HB2 H 1.337 -6.207 -8.719 1.00 . A A . 4 DLE HB2 1 1
5 527 1 1 4 . HB3 H 2.783 -5.984 -9.683 1.00 . A A . 4 DLE HB3 1 1
5 528 1 1 4 . HD11 H -0.138 -7.875 -10.340 1.00 . A A . 4 DLE HD11 1 1
5 529 1 1 4 . HD12 H -1.064 -6.649 -11.239 1.00 . A A . 4 DLE HD12 1 1
5 530 1 1 4 . HD13 H -0.704 -6.404 -9.513 1.00 . A A . 4 DLE HD13 1 1
5 531 1 1 4 . HD21 H 1.518 -6.844 -12.772 1.00 . A A . 4 DLE HD21 1 1
5 532 1 1 4 . HD22 H 1.780 -7.999 -11.443 1.00 . A A . 4 DLE HD22 1 1
5 533 1 1 4 . HD23 H 2.891 -6.625 -11.661 1.00 . A A . 4 DLE HD23 1 1
5 534 1 1 4 . HG H 0.707 -5.201 -11.384 1.00 . A A . 4 DLE HG 1 1
5 535 1 1 4 . N N 0.983 -3.922 -8.032 1.00 . A A . 4 DLE N 1 1
5 536 1 1 4 . O O 4.105 -4.046 -9.685 1.00 . A A . 4 DLE O 1 1
5 537 1 1 5 TYR C C 4.876 -1.822 -6.731 1.00 . A A . 5 TYR C 1 1
5 538 1 1 5 TYR CA C 4.438 -1.737 -8.190 1.00 . A A . 5 TYR CA 1 1
5 539 1 1 5 TYR CB C 4.294 -0.272 -8.607 1.00 . A A . 5 TYR CB 1 1
5 540 1 1 5 TYR CD1 C 3.752 -0.936 -10.982 1.00 . A A . 5 TYR CD1 1 1
5 541 1 1 5 TYR CD2 C 2.624 0.948 -10.055 1.00 . A A . 5 TYR CD2 1 1
5 542 1 1 5 TYR CE1 C 3.069 -0.767 -12.171 1.00 . A A . 5 TYR CE1 1 1
5 543 1 1 5 TYR CE2 C 1.935 1.124 -11.240 1.00 . A A . 5 TYR CE2 1 1
5 544 1 1 5 TYR CG C 3.543 -0.083 -9.906 1.00 . A A . 5 TYR CG 1 1
5 545 1 1 5 TYR CZ C 2.161 0.265 -12.295 1.00 . A A . 5 TYR CZ 1 1
5 546 1 1 5 TYR H H 2.363 -2.102 -7.985 1.00 . A A . 5 TYR H 1 1
5 547 1 1 5 TYR HA H 5.190 -2.205 -8.808 1.00 . A A . 5 TYR HA 1 1
5 548 1 1 5 TYR HB2 H 3.762 0.264 -7.836 1.00 . A A . 5 TYR HB2 1 1
5 549 1 1 5 TYR HB3 H 5.277 0.159 -8.726 1.00 . A A . 5 TYR HB3 1 1
5 550 1 1 5 TYR HD1 H 4.463 -1.743 -10.882 1.00 . A A . 5 TYR HD1 1 1
5 551 1 1 5 TYR HD2 H 2.449 1.620 -9.227 1.00 . A A . 5 TYR HD2 1 1
5 552 1 1 5 TYR HE1 H 3.245 -1.440 -12.997 1.00 . A A . 5 TYR HE1 1 1
5 553 1 1 5 TYR HE2 H 1.224 1.932 -11.338 1.00 . A A . 5 TYR HE2 1 1
5 554 1 1 5 TYR HH H 1.170 1.344 -13.539 1.00 . A A . 5 TYR HH 1 1
5 555 1 1 5 TYR N N 3.182 -2.448 -8.398 1.00 . A A . 5 TYR N 1 1
5 556 1 1 5 TYR O O 4.744 -0.871 -5.960 1.00 . A A . 5 TYR O 1 1
5 557 1 1 5 TYR OH O 1.477 0.436 -13.477 1.00 . A A . 5 TYR OH 1 1
5 558 1 1 6 PRO C C 7.140 -2.427 -4.647 1.00 . A A . 6 PRO C 1 1
5 559 1 1 6 PRO CA C 5.884 -3.226 -4.975 1.00 . A A . 6 PRO CA 1 1
5 560 1 1 6 PRO CB C 6.186 -4.727 -4.960 1.00 . A A . 6 PRO CB 1 1
5 561 1 1 6 PRO CD C 5.602 -4.164 -7.209 1.00 . A A . 6 PRO CD 1 1
5 562 1 1 6 PRO CG C 6.471 -5.070 -6.381 1.00 . A A . 6 PRO CG 1 1
5 563 1 1 6 PRO HA H 5.117 -3.004 -4.247 1.00 . A A . 6 PRO HA 1 1
5 564 1 1 6 PRO HB2 H 7.041 -4.918 -4.327 1.00 . A A . 6 PRO HB2 1 1
5 565 1 1 6 PRO HB3 H 5.328 -5.266 -4.588 1.00 . A A . 6 PRO HB3 1 1
5 566 1 1 6 PRO HD2 H 6.104 -3.892 -8.125 1.00 . A A . 6 PRO HD2 1 1
5 567 1 1 6 PRO HD3 H 4.656 -4.640 -7.422 1.00 . A A . 6 PRO HD3 1 1
5 568 1 1 6 PRO HG2 H 7.513 -4.892 -6.600 1.00 . A A . 6 PRO HG2 1 1
5 569 1 1 6 PRO HG3 H 6.218 -6.103 -6.567 1.00 . A A . 6 PRO HG3 1 1
5 570 1 1 6 PRO N N 5.413 -2.988 -6.343 1.00 . A A . 6 PRO N 1 1
5 571 1 1 6 PRO O O 7.574 -2.379 -3.496 1.00 . A A . 6 PRO O 1 1
5 572 1 1 7 TRP C C 8.577 0.446 -5.157 1.00 . A A . 7 TRP C 1 1
5 573 1 1 7 TRP CA C 8.926 -1.002 -5.484 1.00 . A A . 7 TRP CA 1 1
5 574 1 1 7 TRP CB C 9.794 -1.059 -6.742 1.00 . A A . 7 TRP CB 1 1
5 575 1 1 7 TRP CD1 C 9.378 1.077 -8.096 1.00 . A A . 7 TRP CD1 1 1
5 576 1 1 7 TRP CD2 C 8.449 -0.764 -8.971 1.00 . A A . 7 TRP CD2 1 1
5 577 1 1 7 TRP CE2 C 8.148 0.331 -9.804 1.00 . A A . 7 TRP CE2 1 1
5 578 1 1 7 TRP CE3 C 7.971 -2.029 -9.322 1.00 . A A . 7 TRP CE3 1 1
5 579 1 1 7 TRP CG C 9.237 -0.265 -7.885 1.00 . A A . 7 TRP CG 1 1
5 580 1 1 7 TRP CH2 C 6.934 -1.053 -11.284 1.00 . A A . 7 TRP CH2 1 1
5 581 1 1 7 TRP CZ2 C 7.389 0.197 -10.964 1.00 . A A . 7 TRP CZ2 1 1
5 582 1 1 7 TRP CZ3 C 7.218 -2.161 -10.474 1.00 . A A . 7 TRP CZ3 1 1
5 583 1 1 7 TRP H H 7.326 -1.876 -6.560 1.00 . A A . 7 TRP H 1 1
5 584 1 1 7 TRP HA H 9.479 -1.422 -4.656 1.00 . A A . 7 TRP HA 1 1
5 585 1 1 7 TRP HB2 H 10.775 -0.671 -6.513 1.00 . A A . 7 TRP HB2 1 1
5 586 1 1 7 TRP HB3 H 9.883 -2.087 -7.062 1.00 . A A . 7 TRP HB3 1 1
5 587 1 1 7 TRP HD1 H 9.923 1.741 -7.443 1.00 . A A . 7 TRP HD1 1 1
5 588 1 1 7 TRP HE1 H 8.681 2.351 -9.613 1.00 . A A . 7 TRP HE1 1 1
5 589 1 1 7 TRP HE3 H 8.179 -2.895 -8.711 1.00 . A A . 7 TRP HE3 1 1
5 590 1 1 7 TRP HH2 H 6.342 -1.202 -12.174 1.00 . A A . 7 TRP HH2 1 1
5 591 1 1 7 TRP HZ2 H 7.162 1.041 -11.599 1.00 . A A . 7 TRP HZ2 1 1
5 592 1 1 7 TRP HZ3 H 6.839 -3.130 -10.761 1.00 . A A . 7 TRP HZ3 1 1
5 593 1 1 7 TRP N N 7.719 -1.800 -5.665 1.00 . A A . 7 TRP N 1 1
5 594 1 1 7 TRP NE1 N 8.725 1.442 -9.248 1.00 . A A . 7 TRP NE1 1 1
5 595 1 1 7 TRP O O 9.463 1.282 -4.974 1.00 . A A . 7 TRP O 1 1
5 596 1 1 8 CYS C C 7.485 2.619 -3.519 1.00 . A A . 8 CYS C 1 1
5 597 1 1 8 CYS CA C 6.816 2.084 -4.783 1.00 . A A . 8 CYS CA 1 1
5 598 1 1 8 CYS CB C 5.296 2.094 -4.612 1.00 . A A . 8 CYS CB 1 1
5 599 1 1 8 CYS H H 6.624 0.027 -5.243 1.00 . A A . 8 CYS H 1 1
5 600 1 1 8 CYS HA H 7.081 2.722 -5.612 1.00 . A A . 8 CYS HA 1 1
5 601 1 1 8 CYS HB2 H 4.924 1.085 -4.715 1.00 . A A . 8 CYS HB2 1 1
5 602 1 1 8 CYS HB3 H 5.055 2.463 -3.626 1.00 . A A . 8 CYS HB3 1 1
5 603 1 1 8 CYS N N 7.283 0.737 -5.087 1.00 . A A . 8 CYS N 1 1
5 604 1 1 8 CYS O O 7.189 3.727 -3.071 1.00 . A A . 8 CYS O 1 1
5 605 1 1 8 CYS SG S 4.419 3.133 -5.824 1.00 . A A . 8 CYS SG 1 1
6 606 1 1 1 GLY C C 0.089 0.675 -3.010 1.00 . A A . 1 GLY C 1 1
6 607 1 1 1 GLY CA C 0.429 0.608 -1.535 1.00 . A A . 1 GLY CA 1 1
6 608 1 1 1 GLY H1 H 1.751 2.242 -1.280 1.00 . A A . 1 GLY H1 1 1
6 609 1 1 1 GLY HA2 H 1.209 -0.124 -1.388 1.00 . A A . 1 GLY HA2 1 1
6 610 1 1 1 GLY HA3 H -0.450 0.297 -0.989 1.00 . A A . 1 GLY HA3 1 1
6 611 1 1 1 GLY N N 0.879 1.884 -1.010 1.00 . A A . 1 GLY N 1 1
6 612 1 1 1 GLY O O -1.043 0.989 -3.381 1.00 . A A . 1 GLY O 1 1
6 613 1 1 2 CYS C C 0.789 -1.003 -5.867 1.00 . A A . 2 CYS C 1 1
6 614 1 1 2 CYS CA C 0.871 0.411 -5.300 1.00 . A A . 2 CYS CA 1 1
6 615 1 1 2 CYS CB C 2.009 1.178 -5.977 1.00 . A A . 2 CYS CB 1 1
6 616 1 1 2 CYS H H 1.952 0.137 -3.500 1.00 . A A . 2 CYS H 1 1
6 617 1 1 2 CYS HA H -0.061 0.919 -5.496 1.00 . A A . 2 CYS HA 1 1
6 618 1 1 2 CYS HB2 H 2.903 0.573 -5.955 1.00 . A A . 2 CYS HB2 1 1
6 619 1 1 2 CYS HB3 H 1.739 1.376 -7.004 1.00 . A A . 2 CYS HB3 1 1
6 620 1 1 2 CYS N N 1.070 0.381 -3.856 1.00 . A A . 2 CYS N 1 1
6 621 1 1 2 CYS O O 1.809 -1.657 -6.086 1.00 . A A . 2 CYS O 1 1
6 622 1 1 2 CYS SG S 2.401 2.773 -5.189 1.00 . A A . 2 CYS SG 1 1
6 623 1 1 3 VAL C C 0.076 -2.983 -7.975 1.00 . A A . 3 VAL C 1 1
6 624 1 1 3 VAL CA C -0.650 -2.805 -6.647 1.00 . A A . 3 VAL CA 1 1
6 625 1 1 3 VAL CB C -2.150 -3.091 -6.852 1.00 . A A . 3 VAL CB 1 1
6 626 1 1 3 VAL CG1 C -2.832 -3.347 -5.517 1.00 . A A . 3 VAL CG1 1 1
6 627 1 1 3 VAL CG2 C -2.815 -1.939 -7.589 1.00 . A A . 3 VAL CG2 1 1
6 628 1 1 3 VAL H H -1.208 -0.902 -5.909 1.00 . A A . 3 VAL H 1 1
6 629 1 1 3 VAL HA H -0.262 -3.521 -5.937 1.00 . A A . 3 VAL HA 1 1
6 630 1 1 3 VAL HB H -2.246 -3.981 -7.457 1.00 . A A . 3 VAL HB 1 1
6 631 1 1 3 VAL HG11 H -2.260 -2.883 -4.726 1.00 . A A . 3 VAL HG11 1 1
6 632 1 1 3 VAL HG12 H -3.828 -2.928 -5.536 1.00 . A A . 3 VAL HG12 1 1
6 633 1 1 3 VAL HG13 H -2.892 -4.411 -5.341 1.00 . A A . 3 VAL HG13 1 1
6 634 1 1 3 VAL HG21 H -3.465 -1.406 -6.910 1.00 . A A . 3 VAL HG21 1 1
6 635 1 1 3 VAL HG22 H -2.058 -1.266 -7.965 1.00 . A A . 3 VAL HG22 1 1
6 636 1 1 3 VAL HG23 H -3.395 -2.325 -8.414 1.00 . A A . 3 VAL HG23 1 1
6 637 1 1 3 VAL N N -0.433 -1.470 -6.104 1.00 . A A . 3 VAL N 1 1
6 638 1 1 3 VAL O O -0.210 -2.250 -8.921 1.00 . A A . 3 VAL O 1 1
6 639 1 1 4 . C C 3.133 -3.569 -9.110 1.00 . A A . 4 DLE C 1 1
6 640 1 1 4 . CA C 1.745 -4.202 -9.232 1.00 . A A . 4 DLE CA 1 1
6 641 1 1 4 . CB C 1.777 -5.702 -9.532 1.00 . A A . 4 DLE CB 1 1
6 642 1 1 4 . CD1 C 0.563 -7.741 -10.383 1.00 . A A . 4 DLE CD1 1 1
6 643 1 1 4 . CD2 C 0.955 -5.758 -11.915 1.00 . A A . 4 DLE CD2 1 1
6 644 1 1 4 . CG C 0.694 -6.220 -10.480 1.00 . A A . 4 DLE CG 1 1
6 645 1 1 4 . H H 1.217 -4.533 -7.245 1.00 . A A . 4 DLE H 1 1
6 646 1 1 4 . HA H 1.217 -3.720 -10.055 1.00 . A A . 4 DLE HA 1 1
6 647 1 1 4 . HB2 H 1.695 -6.242 -8.588 1.00 . A A . 4 DLE HB2 1 1
6 648 1 1 4 . HB3 H 2.751 -5.947 -9.956 1.00 . A A . 4 DLE HB3 1 1
6 649 1 1 4 . HD11 H 0.443 -8.160 -11.382 1.00 . A A . 4 DLE HD11 1 1
6 650 1 1 4 . HD12 H -0.308 -7.993 -9.777 1.00 . A A . 4 DLE HD12 1 1
6 651 1 1 4 . HD13 H 1.459 -8.155 -9.921 1.00 . A A . 4 DLE HD13 1 1
6 652 1 1 4 . HD21 H 1.037 -6.627 -12.568 1.00 . A A . 4 DLE HD21 1 1
6 653 1 1 4 . HD22 H 1.884 -5.188 -11.950 1.00 . A A . 4 DLE HD22 1 1
6 654 1 1 4 . HD23 H 0.130 -5.128 -12.249 1.00 . A A . 4 DLE HD23 1 1
6 655 1 1 4 . HG H -0.261 -5.794 -10.173 1.00 . A A . 4 DLE HG 1 1
6 656 1 1 4 . N N 0.990 -3.941 -8.018 1.00 . A A . 4 DLE N 1 1
6 657 1 1 4 . O O 4.124 -4.062 -9.649 1.00 . A A . 4 DLE O 1 1
6 658 1 1 5 TYR C C 4.860 -1.800 -6.715 1.00 . A A . 5 TYR C 1 1
6 659 1 1 5 TYR CA C 4.430 -1.734 -8.177 1.00 . A A . 5 TYR CA 1 1
6 660 1 1 5 TYR CB C 4.277 -0.275 -8.610 1.00 . A A . 5 TYR CB 1 1
6 661 1 1 5 TYR CD1 C 3.758 -0.969 -10.982 1.00 . A A . 5 TYR CD1 1 1
6 662 1 1 5 TYR CD2 C 2.610 0.917 -10.085 1.00 . A A . 5 TYR CD2 1 1
6 663 1 1 5 TYR CE1 C 3.083 -0.818 -12.177 1.00 . A A . 5 TYR CE1 1 1
6 664 1 1 5 TYR CE2 C 1.929 1.075 -11.277 1.00 . A A . 5 TYR CE2 1 1
6 665 1 1 5 TYR CG C 3.535 -0.106 -9.917 1.00 . A A . 5 TYR CG 1 1
6 666 1 1 5 TYR CZ C 2.169 0.206 -12.320 1.00 . A A . 5 TYR CZ 1 1
6 667 1 1 5 TYR H H 2.357 -2.113 -7.981 1.00 . A A . 5 TYR H 1 1
6 668 1 1 5 TYR HA H 5.190 -2.202 -8.785 1.00 . A A . 5 TYR HA 1 1
6 669 1 1 5 TYR HB2 H 3.735 0.264 -7.849 1.00 . A A . 5 TYR HB2 1 1
6 670 1 1 5 TYR HB3 H 5.258 0.163 -8.726 1.00 . A A . 5 TYR HB3 1 1
6 671 1 1 5 TYR HD1 H 4.474 -1.770 -10.867 1.00 . A A . 5 TYR HD1 1 1
6 672 1 1 5 TYR HD2 H 2.424 1.597 -9.266 1.00 . A A . 5 TYR HD2 1 1
6 673 1 1 5 TYR HE1 H 3.270 -1.499 -12.994 1.00 . A A . 5 TYR HE1 1 1
6 674 1 1 5 TYR HE2 H 1.214 1.877 -11.389 1.00 . A A . 5 TYR HE2 1 1
6 675 1 1 5 TYR HH H 1.602 1.260 -13.824 1.00 . A A . 5 TYR HH 1 1
6 676 1 1 5 TYR N N 3.181 -2.457 -8.385 1.00 . A A . 5 TYR N 1 1
6 677 1 1 5 TYR O O 4.715 -0.842 -5.954 1.00 . A A . 5 TYR O 1 1
6 678 1 1 5 TYR OH O 1.494 0.359 -13.509 1.00 . A A . 5 TYR OH 1 1
6 679 1 1 6 PRO C C 7.115 -2.364 -4.610 1.00 . A A . 6 PRO C 1 1
6 680 1 1 6 PRO CA C 5.868 -3.177 -4.937 1.00 . A A . 6 PRO CA 1 1
6 681 1 1 6 PRO CB C 6.181 -4.675 -4.905 1.00 . A A . 6 PRO CB 1 1
6 682 1 1 6 PRO CD C 5.607 -4.141 -7.163 1.00 . A A . 6 PRO CD 1 1
6 683 1 1 6 PRO CG C 6.478 -5.031 -6.320 1.00 . A A . 6 PRO CG 1 1
6 684 1 1 6 PRO HA H 5.095 -2.954 -4.217 1.00 . A A . 6 PRO HA 1 1
6 685 1 1 6 PRO HB2 H 7.034 -4.853 -4.264 1.00 . A A . 6 PRO HB2 1 1
6 686 1 1 6 PRO HB3 H 5.326 -5.218 -4.532 1.00 . A A . 6 PRO HB3 1 1
6 687 1 1 6 PRO HD2 H 6.113 -3.874 -8.078 1.00 . A A . 6 PRO HD2 1 1
6 688 1 1 6 PRO HD3 H 4.667 -4.627 -7.377 1.00 . A A . 6 PRO HD3 1 1
6 689 1 1 6 PRO HG2 H 7.520 -4.847 -6.534 1.00 . A A . 6 PRO HG2 1 1
6 690 1 1 6 PRO HG3 H 6.235 -6.068 -6.496 1.00 . A A . 6 PRO HG3 1 1
6 691 1 1 6 PRO N N 5.403 -2.958 -6.310 1.00 . A A . 6 PRO N 1 1
6 692 1 1 6 PRO O O 7.541 -2.301 -3.457 1.00 . A A . 6 PRO O 1 1
6 693 1 1 7 TRP C C 8.534 0.514 -5.143 1.00 . A A . 7 TRP C 1 1
6 694 1 1 7 TRP CA C 8.896 -0.935 -5.451 1.00 . A A . 7 TRP CA 1 1
6 695 1 1 7 TRP CB C 9.773 -1.000 -6.703 1.00 . A A . 7 TRP CB 1 1
6 696 1 1 7 TRP CD1 C 9.349 1.117 -8.083 1.00 . A A . 7 TRP CD1 1 1
6 697 1 1 7 TRP CD2 C 8.440 -0.741 -8.944 1.00 . A A . 7 TRP CD2 1 1
6 698 1 1 7 TRP CE2 C 8.136 0.343 -9.791 1.00 . A A . 7 TRP CE2 1 1
6 699 1 1 7 TRP CE3 C 7.974 -2.013 -9.283 1.00 . A A . 7 TRP CE3 1 1
6 700 1 1 7 TRP CG C 9.217 -0.223 -7.858 1.00 . A A . 7 TRP CG 1 1
6 701 1 1 7 TRP CH2 C 6.942 -1.068 -11.263 1.00 . A A . 7 TRP CH2 1 1
6 702 1 1 7 TRP CZ2 C 7.386 0.189 -10.954 1.00 . A A . 7 TRP CZ2 1 1
6 703 1 1 7 TRP CZ3 C 7.230 -2.164 -10.438 1.00 . A A . 7 TRP CZ3 1 1
6 704 1 1 7 TRP H H 7.310 -1.834 -6.528 1.00 . A A . 7 TRP H 1 1
6 705 1 1 7 TRP HA H 9.447 -1.341 -4.615 1.00 . A A . 7 TRP HA 1 1
6 706 1 1 7 TRP HB2 H 10.749 -0.601 -6.472 1.00 . A A . 7 TRP HB2 1 1
6 707 1 1 7 TRP HB3 H 9.872 -2.031 -7.010 1.00 . A A . 7 TRP HB3 1 1
6 708 1 1 7 TRP HD1 H 9.885 1.793 -7.435 1.00 . A A . 7 TRP HD1 1 1
6 709 1 1 7 TRP HE1 H 8.652 2.369 -9.620 1.00 . A A . 7 TRP HE1 1 1
6 710 1 1 7 TRP HE3 H 8.185 -2.870 -8.661 1.00 . A A . 7 TRP HE3 1 1
6 711 1 1 7 TRP HH2 H 6.358 -1.232 -12.155 1.00 . A A . 7 TRP HH2 1 1
6 712 1 1 7 TRP HZ2 H 7.157 1.024 -11.601 1.00 . A A . 7 TRP HZ2 1 1
6 713 1 1 7 TRP HZ3 H 6.860 -3.140 -10.717 1.00 . A A . 7 TRP HZ3 1 1
6 714 1 1 7 TRP N N 7.696 -1.745 -5.631 1.00 . A A . 7 TRP N 1 1
6 715 1 1 7 TRP NE1 N 8.700 1.464 -9.244 1.00 . A A . 7 TRP NE1 1 1
6 716 1 1 7 TRP O O 9.411 1.359 -4.963 1.00 . A A . 7 TRP O 1 1
6 717 1 1 8 CYS C C 7.412 2.696 -3.537 1.00 . A A . 8 CYS C 1 1
6 718 1 1 8 CYS CA C 6.758 2.142 -4.799 1.00 . A A . 8 CYS CA 1 1
6 719 1 1 8 CYS CB C 5.236 2.142 -4.640 1.00 . A A . 8 CYS CB 1 1
6 720 1 1 8 CYS H H 6.584 0.079 -5.238 1.00 . A A . 8 CYS H 1 1
6 721 1 1 8 CYS HA H 7.023 2.773 -5.634 1.00 . A A . 8 CYS HA 1 1
6 722 1 1 8 CYS HB2 H 4.870 1.132 -4.755 1.00 . A A . 8 CYS HB2 1 1
6 723 1 1 8 CYS HB3 H 4.985 2.500 -3.653 1.00 . A A . 8 CYS HB3 1 1
6 724 1 1 8 CYS N N 7.236 0.795 -5.085 1.00 . A A . 8 CYS N 1 1
6 725 1 1 8 CYS O O 7.345 2.083 -2.471 1.00 . A A . 8 CYS O 1 1
6 726 1 1 8 CYS SG S 4.362 3.188 -5.849 1.00 . A A . 8 CYS SG 1 1
7 727 1 1 1 GLY C C 0.139 0.559 -3.016 1.00 . A A . 1 GLY C 1 1
7 728 1 1 1 GLY CA C 0.508 0.546 -1.545 1.00 . A A . 1 GLY CA 1 1
7 729 1 1 1 GLY H1 H 0.626 -1.031 -0.137 1.00 . A A . 1 GLY H1 1 1
7 730 1 1 1 GLY HA2 H 0.035 1.385 -1.058 1.00 . A A . 1 GLY HA2 1 1
7 731 1 1 1 GLY HA3 H 1.580 0.647 -1.454 1.00 . A A . 1 GLY HA3 1 1
7 732 1 1 1 GLY N N 0.095 -0.677 -0.881 1.00 . A A . 1 GLY N 1 1
7 733 1 1 1 GLY O O -1.040 0.599 -3.367 1.00 . A A . 1 GLY O 1 1
7 734 1 1 2 CYS C C 0.811 -0.883 -5.862 1.00 . A A . 2 CYS C 1 1
7 735 1 1 2 CYS CA C 0.927 0.538 -5.319 1.00 . A A . 2 CYS CA 1 1
7 736 1 1 2 CYS CB C 2.066 1.274 -6.026 1.00 . A A . 2 CYS CB 1 1
7 737 1 1 2 CYS H H 2.069 0.495 -3.537 1.00 . A A . 2 CYS H 1 1
7 738 1 1 2 CYS HA H 0.001 1.059 -5.507 1.00 . A A . 2 CYS HA 1 1
7 739 1 1 2 CYS HB2 H 2.951 0.654 -6.010 1.00 . A A . 2 CYS HB2 1 1
7 740 1 1 2 CYS HB3 H 1.782 1.460 -7.052 1.00 . A A . 2 CYS HB3 1 1
7 741 1 1 2 CYS N N 1.150 0.527 -3.878 1.00 . A A . 2 CYS N 1 1
7 742 1 1 2 CYS O O 1.815 -1.563 -6.075 1.00 . A A . 2 CYS O 1 1
7 743 1 1 2 CYS SG S 2.500 2.874 -5.271 1.00 . A A . 2 CYS SG 1 1
7 744 1 1 3 VAL C C 0.045 -2.883 -7.931 1.00 . A A . 3 VAL C 1 1
7 745 1 1 3 VAL CA C -0.672 -2.666 -6.603 1.00 . A A . 3 VAL CA 1 1
7 746 1 1 3 VAL CB C -2.178 -2.922 -6.798 1.00 . A A . 3 VAL CB 1 1
7 747 1 1 3 VAL CG1 C -2.861 -3.140 -5.456 1.00 . A A . 3 VAL CG1 1 1
7 748 1 1 3 VAL CG2 C -2.821 -1.767 -7.551 1.00 . A A . 3 VAL CG2 1 1
7 749 1 1 3 VAL H H -1.183 -0.739 -5.894 1.00 . A A . 3 VAL H 1 1
7 750 1 1 3 VAL HA H -0.298 -3.379 -5.882 1.00 . A A . 3 VAL HA 1 1
7 751 1 1 3 VAL HB H -2.297 -3.819 -7.387 1.00 . A A . 3 VAL HB 1 1
7 752 1 1 3 VAL HG11 H -3.861 -2.734 -5.492 1.00 . A A . 3 VAL HG11 1 1
7 753 1 1 3 VAL HG12 H -2.908 -4.198 -5.243 1.00 . A A . 3 VAL HG12 1 1
7 754 1 1 3 VAL HG13 H -2.298 -2.640 -4.681 1.00 . A A . 3 VAL HG13 1 1
7 755 1 1 3 VAL HG21 H -3.414 -2.155 -8.365 1.00 . A A . 3 VAL HG21 1 1
7 756 1 1 3 VAL HG22 H -3.455 -1.206 -6.879 1.00 . A A . 3 VAL HG22 1 1
7 757 1 1 3 VAL HG23 H -2.051 -1.119 -7.943 1.00 . A A . 3 VAL HG23 1 1
7 758 1 1 3 VAL N N -0.423 -1.327 -6.083 1.00 . A A . 3 VAL N 1 1
7 759 1 1 3 VAL O O -0.228 -2.160 -8.888 1.00 . A A . 3 VAL O 1 1
7 760 1 1 4 . C C 3.083 -3.555 -9.067 1.00 . A A . 4 DLE C 1 1
7 761 1 1 4 . CA C 1.681 -4.160 -9.172 1.00 . A A . 4 DLE CA 1 1
7 762 1 1 4 . CB C 1.680 -5.666 -9.445 1.00 . A A . 4 DLE CB 1 1
7 763 1 1 4 . CD1 C 0.424 -7.621 -10.423 1.00 . A A . 4 DLE CD1 1 1
7 764 1 1 4 . CD2 C 1.403 -5.844 -11.945 1.00 . A A . 4 DLE CD2 1 1
7 765 1 1 4 . CG C 0.774 -6.140 -10.583 1.00 . A A . 4 DLE CG 1 1
7 766 1 1 4 . H H 1.154 -4.445 -7.177 1.00 . A A . 4 DLE H 1 1
7 767 1 1 4 . HA H 1.160 -3.682 -10.002 1.00 . A A . 4 DLE HA 1 1
7 768 1 1 4 . HB2 H 1.383 -6.180 -8.531 1.00 . A A . 4 DLE HB2 1 1
7 769 1 1 4 . HB3 H 2.701 -5.975 -9.667 1.00 . A A . 4 DLE HB3 1 1
7 770 1 1 4 . HD11 H 0.994 -8.209 -11.142 1.00 . A A . 4 DLE HD11 1 1
7 771 1 1 4 . HD12 H -0.642 -7.764 -10.601 1.00 . A A . 4 DLE HD12 1 1
7 772 1 1 4 . HD13 H 0.669 -7.946 -9.412 1.00 . A A . 4 DLE HD13 1 1
7 773 1 1 4 . HD21 H 1.166 -4.822 -12.241 1.00 . A A . 4 DLE HD21 1 1
7 774 1 1 4 . HD22 H 1.007 -6.538 -12.687 1.00 . A A . 4 DLE HD22 1 1
7 775 1 1 4 . HD23 H 2.485 -5.961 -11.879 1.00 . A A . 4 DLE HD23 1 1
7 776 1 1 4 . HG H -0.160 -5.581 -10.531 1.00 . A A . 4 DLE HG 1 1
7 777 1 1 4 . N N 0.937 -3.862 -7.960 1.00 . A A . 4 DLE N 1 1
7 778 1 1 4 . O O 4.062 -4.081 -9.597 1.00 . A A . 4 DLE O 1 1
7 779 1 1 5 TYR C C 4.855 -1.774 -6.713 1.00 . A A . 5 TYR C 1 1
7 780 1 1 5 TYR CA C 4.422 -1.730 -8.175 1.00 . A A . 5 TYR CA 1 1
7 781 1 1 5 TYR CB C 4.300 -0.278 -8.639 1.00 . A A . 5 TYR CB 1 1
7 782 1 1 5 TYR CD1 C 3.758 -1.010 -10.994 1.00 . A A . 5 TYR CD1 1 1
7 783 1 1 5 TYR CD2 C 2.655 0.920 -10.134 1.00 . A A . 5 TYR CD2 1 1
7 784 1 1 5 TYR CE1 C 3.082 -0.869 -12.190 1.00 . A A . 5 TYR CE1 1 1
7 785 1 1 5 TYR CE2 C 1.973 1.068 -11.326 1.00 . A A . 5 TYR CE2 1 1
7 786 1 1 5 TYR CG C 3.557 -0.120 -9.946 1.00 . A A . 5 TYR CG 1 1
7 787 1 1 5 TYR CZ C 2.190 0.171 -12.351 1.00 . A A . 5 TYR CZ 1 1
7 788 1 1 5 TYR H H 2.342 -2.060 -7.967 1.00 . A A . 5 TYR H 1 1
7 789 1 1 5 TYR HA H 5.170 -2.228 -8.775 1.00 . A A . 5 TYR HA 1 1
7 790 1 1 5 TYR HB2 H 3.773 0.290 -7.888 1.00 . A A . 5 TYR HB2 1 1
7 791 1 1 5 TYR HB3 H 5.290 0.136 -8.767 1.00 . A A . 5 TYR HB3 1 1
7 792 1 1 5 TYR HD1 H 4.457 -1.823 -10.864 1.00 . A A . 5 TYR HD1 1 1
7 793 1 1 5 TYR HD2 H 2.487 1.621 -9.329 1.00 . A A . 5 TYR HD2 1 1
7 794 1 1 5 TYR HE1 H 3.251 -1.571 -12.993 1.00 . A A . 5 TYR HE1 1 1
7 795 1 1 5 TYR HE2 H 1.275 1.882 -11.453 1.00 . A A . 5 TYR HE2 1 1
7 796 1 1 5 TYR HH H 0.798 0.944 -13.428 1.00 . A A . 5 TYR HH 1 1
7 797 1 1 5 TYR N N 3.157 -2.430 -8.365 1.00 . A A . 5 TYR N 1 1
7 798 1 1 5 TYR O O 4.733 -0.798 -5.973 1.00 . A A . 5 TYR O 1 1
7 799 1 1 5 TYR OH O 1.514 0.315 -13.541 1.00 . A A . 5 TYR OH 1 1
7 800 1 1 6 PRO C C 7.103 -2.344 -4.602 1.00 . A A . 6 PRO C 1 1
7 801 1 1 6 PRO CA C 5.836 -3.136 -4.909 1.00 . A A . 6 PRO CA 1 1
7 802 1 1 6 PRO CB C 6.117 -4.639 -4.845 1.00 . A A . 6 PRO CB 1 1
7 803 1 1 6 PRO CD C 5.548 -4.141 -7.113 1.00 . A A . 6 PRO CD 1 1
7 804 1 1 6 PRO CG C 6.402 -5.032 -6.253 1.00 . A A . 6 PRO CG 1 1
7 805 1 1 6 PRO HA H 5.070 -2.880 -4.191 1.00 . A A . 6 PRO HA 1 1
7 806 1 1 6 PRO HB2 H 6.967 -4.823 -4.203 1.00 . A A . 6 PRO HB2 1 1
7 807 1 1 6 PRO HB3 H 5.250 -5.155 -4.459 1.00 . A A . 6 PRO HB3 1 1
7 808 1 1 6 PRO HD2 H 6.058 -3.905 -8.035 1.00 . A A . 6 PRO HD2 1 1
7 809 1 1 6 PRO HD3 H 4.597 -4.610 -7.314 1.00 . A A . 6 PRO HD3 1 1
7 810 1 1 6 PRO HG2 H 7.447 -4.876 -6.474 1.00 . A A . 6 PRO HG2 1 1
7 811 1 1 6 PRO HG3 H 6.135 -6.067 -6.407 1.00 . A A . 6 PRO HG3 1 1
7 812 1 1 6 PRO N N 5.373 -2.935 -6.285 1.00 . A A . 6 PRO N 1 1
7 813 1 1 6 PRO O O 7.533 -2.266 -3.451 1.00 . A A . 6 PRO O 1 1
7 814 1 1 7 TRP C C 8.583 0.490 -5.198 1.00 . A A . 7 TRP C 1 1
7 815 1 1 7 TRP CA C 8.912 -0.972 -5.476 1.00 . A A . 7 TRP CA 1 1
7 816 1 1 7 TRP CB C 9.783 -1.082 -6.729 1.00 . A A . 7 TRP CB 1 1
7 817 1 1 7 TRP CD1 C 9.401 1.015 -8.152 1.00 . A A . 7 TRP CD1 1 1
7 818 1 1 7 TRP CD2 C 8.450 -0.840 -8.972 1.00 . A A . 7 TRP CD2 1 1
7 819 1 1 7 TRP CE2 C 8.167 0.232 -9.841 1.00 . A A . 7 TRP CE2 1 1
7 820 1 1 7 TRP CE3 C 7.955 -2.109 -9.284 1.00 . A A . 7 TRP CE3 1 1
7 821 1 1 7 TRP CG C 9.241 -0.318 -7.898 1.00 . A A . 7 TRP CG 1 1
7 822 1 1 7 TRP CH2 C 6.939 -1.182 -11.280 1.00 . A A . 7 TRP CH2 1 1
7 823 1 1 7 TRP CZ2 C 7.411 0.071 -10.998 1.00 . A A . 7 TRP CZ2 1 1
7 824 1 1 7 TRP CZ3 C 7.205 -2.267 -10.434 1.00 . A A . 7 TRP CZ3 1 1
7 825 1 1 7 TRP H H 7.303 -1.857 -6.530 1.00 . A A . 7 TRP H 1 1
7 826 1 1 7 TRP HA H 9.456 -1.373 -4.634 1.00 . A A . 7 TRP HA 1 1
7 827 1 1 7 TRP HB2 H 10.769 -0.700 -6.509 1.00 . A A . 7 TRP HB2 1 1
7 828 1 1 7 TRP HB3 H 9.859 -2.121 -7.015 1.00 . A A . 7 TRP HB3 1 1
7 829 1 1 7 TRP HD1 H 9.953 1.692 -7.519 1.00 . A A . 7 TRP HD1 1 1
7 830 1 1 7 TRP HE1 H 8.727 2.249 -9.712 1.00 . A A . 7 TRP HE1 1 1
7 831 1 1 7 TRP HE3 H 8.150 -2.957 -8.644 1.00 . A A . 7 TRP HE3 1 1
7 832 1 1 7 TRP HH2 H 6.348 -1.351 -12.167 1.00 . A A . 7 TRP HH2 1 1
7 833 1 1 7 TRP HZ2 H 7.198 0.897 -11.661 1.00 . A A . 7 TRP HZ2 1 1
7 834 1 1 7 TRP HZ3 H 6.814 -3.240 -10.691 1.00 . A A . 7 TRP HZ3 1 1
7 835 1 1 7 TRP N N 7.694 -1.759 -5.637 1.00 . A A . 7 TRP N 1 1
7 836 1 1 7 TRP NE1 N 8.757 1.352 -9.318 1.00 . A A . 7 TRP NE1 1 1
7 837 1 1 7 TRP O O 9.479 1.319 -5.039 1.00 . A A . 7 TRP O 1 1
7 838 1 1 8 CYS C C 7.516 2.730 -3.634 1.00 . A A . 8 CYS C 1 1
7 839 1 1 8 CYS CA C 6.844 2.164 -4.881 1.00 . A A . 8 CYS CA 1 1
7 840 1 1 8 CYS CB C 5.323 2.201 -4.716 1.00 . A A . 8 CYS CB 1 1
7 841 1 1 8 CYS H H 6.623 0.096 -5.276 1.00 . A A . 8 CYS H 1 1
7 842 1 1 8 CYS HA H 7.119 2.771 -5.730 1.00 . A A . 8 CYS HA 1 1
7 843 1 1 8 CYS HB2 H 4.940 1.192 -4.763 1.00 . A A . 8 CYS HB2 1 1
7 844 1 1 8 CYS HB3 H 5.084 2.626 -3.752 1.00 . A A . 8 CYS HB3 1 1
7 845 1 1 8 CYS N N 7.292 0.801 -5.140 1.00 . A A . 8 CYS N 1 1
7 846 1 1 8 CYS O O 7.366 3.910 -3.317 1.00 . A A . 8 CYS O 1 1
7 847 1 1 8 CYS SG S 4.460 3.180 -5.986 1.00 . A A . 8 CYS SG 1 1
8 848 1 1 1 GLY C C 0.039 1.382 -3.123 1.00 . A A . 1 GLY C 1 1
8 849 1 1 1 GLY CA C 0.029 1.275 -1.611 1.00 . A A . 1 GLY CA 1 1
8 850 1 1 1 GLY H1 H 1.272 -0.275 -0.880 1.00 . A A . 1 GLY H1 1 1
8 851 1 1 1 GLY HA2 H -0.812 0.670 -1.309 1.00 . A A . 1 GLY HA2 1 1
8 852 1 1 1 GLY HA3 H -0.085 2.265 -1.193 1.00 . A A . 1 GLY HA3 1 1
8 853 1 1 1 GLY N N 1.246 0.683 -1.088 1.00 . A A . 1 GLY N 1 1
8 854 1 1 1 GLY O O -0.631 2.241 -3.697 1.00 . A A . 1 GLY O 1 1
8 855 1 1 2 CYS C C 0.780 -0.910 -5.779 1.00 . A A . 2 CYS C 1 1
8 856 1 1 2 CYS CA C 0.899 0.508 -5.226 1.00 . A A . 2 CYS CA 1 1
8 857 1 1 2 CYS CB C 2.225 1.130 -5.669 1.00 . A A . 2 CYS CB 1 1
8 858 1 1 2 CYS H H 1.313 -0.154 -3.258 1.00 . A A . 2 CYS H 1 1
8 859 1 1 2 CYS HA H 0.085 1.101 -5.613 1.00 . A A . 2 CYS HA 1 1
8 860 1 1 2 CYS HB2 H 3.040 0.532 -5.287 1.00 . A A . 2 CYS HB2 1 1
8 861 1 1 2 CYS HB3 H 2.266 1.139 -6.748 1.00 . A A . 2 CYS HB3 1 1
8 862 1 1 2 CYS N N 0.802 0.508 -3.771 1.00 . A A . 2 CYS N 1 1
8 863 1 1 2 CYS O O 1.784 -1.582 -6.015 1.00 . A A . 2 CYS O 1 1
8 864 1 1 2 CYS SG S 2.474 2.839 -5.089 1.00 . A A . 2 CYS SG 1 1
8 865 1 1 3 VAL C C -0.019 -2.892 -7.856 1.00 . A A . 3 VAL C 1 1
8 866 1 1 3 VAL CA C -0.706 -2.694 -6.509 1.00 . A A . 3 VAL CA 1 1
8 867 1 1 3 VAL CB C -2.215 -2.958 -6.671 1.00 . A A . 3 VAL CB 1 1
8 868 1 1 3 VAL CG1 C -2.865 -3.192 -5.316 1.00 . A A . 3 VAL CG1 1 1
8 869 1 1 3 VAL CG2 C -2.883 -1.802 -7.400 1.00 . A A . 3 VAL CG2 1 1
8 870 1 1 3 VAL H H -1.215 -0.775 -5.776 1.00 . A A . 3 VAL H 1 1
8 871 1 1 3 VAL HA H -0.310 -3.410 -5.805 1.00 . A A . 3 VAL HA 1 1
8 872 1 1 3 VAL HB H -2.341 -3.852 -7.265 1.00 . A A . 3 VAL HB 1 1
8 873 1 1 3 VAL HG11 H -3.879 -2.822 -5.335 1.00 . A A . 3 VAL HG11 1 1
8 874 1 1 3 VAL HG12 H -2.869 -4.249 -5.096 1.00 . A A . 3 VAL HG12 1 1
8 875 1 1 3 VAL HG13 H -2.306 -2.667 -4.554 1.00 . A A . 3 VAL HG13 1 1
8 876 1 1 3 VAL HG21 H -3.508 -1.256 -6.710 1.00 . A A . 3 VAL HG21 1 1
8 877 1 1 3 VAL HG22 H -2.126 -1.143 -7.800 1.00 . A A . 3 VAL HG22 1 1
8 878 1 1 3 VAL HG23 H -3.488 -2.187 -8.207 1.00 . A A . 3 VAL HG23 1 1
8 879 1 1 3 VAL N N -0.455 -1.357 -5.983 1.00 . A A . 3 VAL N 1 1
8 880 1 1 3 VAL O O -0.316 -2.158 -8.798 1.00 . A A . 3 VAL O 1 1
8 881 1 1 4 . C C 2.995 -3.549 -9.067 1.00 . A A . 4 DLE C 1 1
8 882 1 1 4 . CA C 1.591 -4.150 -9.150 1.00 . A A . 4 DLE CA 1 1
8 883 1 1 4 . CB C 1.581 -5.651 -9.445 1.00 . A A . 4 DLE CB 1 1
8 884 1 1 4 . CD1 C 0.552 -7.458 -10.871 1.00 . A A . 4 DLE CD1 1 1
8 885 1 1 4 . CD2 C 2.330 -5.929 -11.837 1.00 . A A . 4 DLE CD2 1 1
8 886 1 1 4 . CG C 1.160 -6.055 -10.859 1.00 . A A . 4 DLE CG 1 1
8 887 1 1 4 . H H 1.109 -4.461 -7.147 1.00 . A A . 4 DLE H 1 1
8 888 1 1 4 . HA H 1.052 -3.659 -9.961 1.00 . A A . 4 DLE HA 1 1
8 889 1 1 4 . HB2 H 0.910 -6.137 -8.735 1.00 . A A . 4 DLE HB2 1 1
8 890 1 1 4 . HB3 H 2.580 -6.045 -9.259 1.00 . A A . 4 DLE HB3 1 1
8 891 1 1 4 . HD11 H 0.386 -7.791 -9.847 1.00 . A A . 4 DLE HD11 1 1
8 892 1 1 4 . HD12 H 1.234 -8.146 -11.371 1.00 . A A . 4 DLE HD12 1 1
8 893 1 1 4 . HD13 H -0.399 -7.438 -11.405 1.00 . A A . 4 DLE HD13 1 1
8 894 1 1 4 . HD21 H 2.306 -6.760 -12.542 1.00 . A A . 4 DLE HD21 1 1
8 895 1 1 4 . HD22 H 3.269 -5.950 -11.283 1.00 . A A . 4 DLE HD22 1 1
8 896 1 1 4 . HD23 H 2.250 -4.988 -12.381 1.00 . A A . 4 DLE HD23 1 1
8 897 1 1 4 . HG H 0.385 -5.365 -11.195 1.00 . A A . 4 DLE HG 1 1
8 898 1 1 4 . N N 0.874 -3.869 -7.918 1.00 . A A . 4 DLE N 1 1
8 899 1 1 4 . O O 3.959 -4.061 -9.637 1.00 . A A . 4 DLE O 1 1
8 900 1 1 5 TYR C C 4.833 -1.834 -6.716 1.00 . A A . 5 TYR C 1 1
8 901 1 1 5 TYR CA C 4.360 -1.749 -8.164 1.00 . A A . 5 TYR CA 1 1
8 902 1 1 5 TYR CB C 4.227 -0.284 -8.583 1.00 . A A . 5 TYR CB 1 1
8 903 1 1 5 TYR CD1 C 3.615 -0.948 -10.941 1.00 . A A . 5 TYR CD1 1 1
8 904 1 1 5 TYR CD2 C 2.537 0.955 -9.992 1.00 . A A . 5 TYR CD2 1 1
8 905 1 1 5 TYR CE1 C 2.903 -0.773 -12.112 1.00 . A A . 5 TYR CE1 1 1
8 906 1 1 5 TYR CE2 C 1.820 1.136 -11.159 1.00 . A A . 5 TYR CE2 1 1
8 907 1 1 5 TYR CG C 3.445 -0.089 -9.862 1.00 . A A . 5 TYR CG 1 1
8 908 1 1 5 TYR CZ C 2.007 0.271 -12.216 1.00 . A A . 5 TYR CZ 1 1
8 909 1 1 5 TYR H H 2.286 -2.083 -7.908 1.00 . A A . 5 TYR H 1 1
8 910 1 1 5 TYR HA H 5.090 -2.229 -8.798 1.00 . A A . 5 TYR HA 1 1
8 911 1 1 5 TYR HB2 H 3.723 0.263 -7.801 1.00 . A A . 5 TYR HB2 1 1
8 912 1 1 5 TYR HB3 H 5.212 0.133 -8.729 1.00 . A A . 5 TYR HB3 1 1
8 913 1 1 5 TYR HD1 H 4.317 -1.764 -10.856 1.00 . A A . 5 TYR HD1 1 1
8 914 1 1 5 TYR HD2 H 2.392 1.631 -9.162 1.00 . A A . 5 TYR HD2 1 1
8 915 1 1 5 TYR HE1 H 3.049 -1.451 -12.940 1.00 . A A . 5 TYR HE1 1 1
8 916 1 1 5 TYR HE2 H 1.118 1.953 -11.241 1.00 . A A . 5 TYR HE2 1 1
8 917 1 1 5 TYR HH H 1.509 -0.258 -13.996 1.00 . A A . 5 TYR HH 1 1
8 918 1 1 5 TYR N N 3.090 -2.443 -8.338 1.00 . A A . 5 TYR N 1 1
8 919 1 1 5 TYR O O 4.729 -0.880 -5.944 1.00 . A A . 5 TYR O 1 1
8 920 1 1 5 TYR OH O 1.295 0.447 -13.381 1.00 . A A . 5 TYR OH 1 1
8 921 1 1 6 PRO C C 7.141 -2.456 -4.686 1.00 . A A . 6 PRO C 1 1
8 922 1 1 6 PRO CA C 5.870 -3.244 -4.981 1.00 . A A . 6 PRO CA 1 1
8 923 1 1 6 PRO CB C 6.158 -4.747 -4.969 1.00 . A A . 6 PRO CB 1 1
8 924 1 1 6 PRO CD C 5.524 -4.184 -7.205 1.00 . A A . 6 PRO CD 1 1
8 925 1 1 6 PRO CG C 6.405 -5.097 -6.396 1.00 . A A . 6 PRO CG 1 1
8 926 1 1 6 PRO HA H 5.123 -3.013 -4.235 1.00 . A A . 6 PRO HA 1 1
8 927 1 1 6 PRO HB2 H 7.026 -4.945 -4.357 1.00 . A A . 6 PRO HB2 1 1
8 928 1 1 6 PRO HB3 H 5.304 -5.278 -4.576 1.00 . A A . 6 PRO HB3 1 1
8 929 1 1 6 PRO HD2 H 6.007 -3.919 -8.133 1.00 . A A . 6 PRO HD2 1 1
8 930 1 1 6 PRO HD3 H 4.569 -4.652 -7.394 1.00 . A A . 6 PRO HD3 1 1
8 931 1 1 6 PRO HG2 H 7.443 -4.929 -6.641 1.00 . A A . 6 PRO HG2 1 1
8 932 1 1 6 PRO HG3 H 6.138 -6.128 -6.573 1.00 . A A . 6 PRO HG3 1 1
8 933 1 1 6 PRO N N 5.368 -3.004 -6.337 1.00 . A A . 6 PRO N 1 1
8 934 1 1 6 PRO O O 7.604 -2.410 -3.546 1.00 . A A . 6 PRO O 1 1
8 935 1 1 7 TRP C C 8.593 0.402 -5.238 1.00 . A A . 7 TRP C 1 1
8 936 1 1 7 TRP CA C 8.920 -1.050 -5.569 1.00 . A A . 7 TRP CA 1 1
8 937 1 1 7 TRP CB C 9.756 -1.119 -6.848 1.00 . A A . 7 TRP CB 1 1
8 938 1 1 7 TRP CD1 C 9.323 1.016 -8.199 1.00 . A A . 7 TRP CD1 1 1
8 939 1 1 7 TRP CD2 C 8.360 -0.821 -9.045 1.00 . A A . 7 TRP CD2 1 1
8 940 1 1 7 TRP CE2 C 8.047 0.274 -9.874 1.00 . A A . 7 TRP CE2 1 1
8 941 1 1 7 TRP CE3 C 7.863 -2.083 -9.380 1.00 . A A . 7 TRP CE3 1 1
8 942 1 1 7 TRP CG C 9.178 -0.324 -7.980 1.00 . A A . 7 TRP CG 1 1
8 943 1 1 7 TRP CH2 C 6.786 -1.106 -11.319 1.00 . A A . 7 TRP CH2 1 1
8 944 1 1 7 TRP CZ2 C 7.259 0.142 -11.015 1.00 . A A . 7 TRP CZ2 1 1
8 945 1 1 7 TRP CZ3 C 7.082 -2.213 -10.512 1.00 . A A . 7 TRP CZ3 1 1
8 946 1 1 7 TRP H H 7.286 -1.911 -6.604 1.00 . A A . 7 TRP H 1 1
8 947 1 1 7 TRP HA H 9.489 -1.473 -4.755 1.00 . A A . 7 TRP HA 1 1
8 948 1 1 7 TRP HB2 H 10.746 -0.737 -6.645 1.00 . A A . 7 TRP HB2 1 1
8 949 1 1 7 TRP HB3 H 9.830 -2.149 -7.166 1.00 . A A . 7 TRP HB3 1 1
8 950 1 1 7 TRP HD1 H 9.890 1.678 -7.562 1.00 . A A . 7 TRP HD1 1 1
8 951 1 1 7 TRP HE1 H 8.600 2.290 -9.704 1.00 . A A . 7 TRP HE1 1 1
8 952 1 1 7 TRP HE3 H 8.080 -2.948 -8.770 1.00 . A A . 7 TRP HE3 1 1
8 953 1 1 7 TRP HH2 H 6.172 -1.254 -12.193 1.00 . A A . 7 TRP HH2 1 1
8 954 1 1 7 TRP HZ2 H 7.023 0.985 -11.647 1.00 . A A . 7 TRP HZ2 1 1
8 955 1 1 7 TRP HZ3 H 6.689 -3.181 -10.786 1.00 . A A . 7 TRP HZ3 1 1
8 956 1 1 7 TRP N N 7.701 -1.837 -5.719 1.00 . A A . 7 TRP N 1 1
8 957 1 1 7 TRP NE1 N 8.645 1.382 -9.337 1.00 . A A . 7 TRP NE1 1 1
8 958 1 1 7 TRP O O 9.491 1.231 -5.081 1.00 . A A . 7 TRP O 1 1
8 959 1 1 8 CYS C C 7.566 2.590 -3.578 1.00 . A A . 8 CYS C 1 1
8 960 1 1 8 CYS CA C 6.858 2.057 -4.820 1.00 . A A . 8 CYS CA 1 1
8 961 1 1 8 CYS CB C 5.343 2.081 -4.608 1.00 . A A . 8 CYS CB 1 1
8 962 1 1 8 CYS H H 6.634 0.000 -5.269 1.00 . A A . 8 CYS H 1 1
8 963 1 1 8 CYS HA H 7.105 2.690 -5.659 1.00 . A A . 8 CYS HA 1 1
8 964 1 1 8 CYS HB2 H 4.957 1.078 -4.714 1.00 . A A . 8 CYS HB2 1 1
8 965 1 1 8 CYS HB3 H 5.133 2.438 -3.610 1.00 . A A . 8 CYS HB3 1 1
8 966 1 1 8 CYS N N 7.304 0.705 -5.133 1.00 . A A . 8 CYS N 1 1
8 967 1 1 8 CYS O O 7.936 1.825 -2.687 1.00 . A A . 8 CYS O 1 1
8 968 1 1 8 CYS SG S 4.444 3.146 -5.781 1.00 . A A . 8 CYS SG 1 1
9 969 1 1 1 GLY C C 0.074 0.993 -3.011 1.00 . A A . 1 GLY C 1 1
9 970 1 1 1 GLY CA C 0.060 0.716 -1.521 1.00 . A A . 1 GLY CA 1 1
9 971 1 1 1 GLY H1 H -1.409 0.707 0.004 1.00 . A A . 1 GLY H1 1 1
9 972 1 1 1 GLY HA2 H 0.648 1.470 -1.020 1.00 . A A . 1 GLY HA2 1 1
9 973 1 1 1 GLY HA3 H 0.506 -0.252 -1.342 1.00 . A A . 1 GLY HA3 1 1
9 974 1 1 1 GLY N N -1.281 0.723 -0.968 1.00 . A A . 1 GLY N 1 1
9 975 1 1 1 GLY O O -0.576 1.926 -3.483 1.00 . A A . 1 GLY O 1 1
9 976 1 1 2 CYS C C 0.764 -0.999 -5.911 1.00 . A A . 2 CYS C 1 1
9 977 1 1 2 CYS CA C 0.916 0.343 -5.201 1.00 . A A . 2 CYS CA 1 1
9 978 1 1 2 CYS CB C 2.256 0.981 -5.573 1.00 . A A . 2 CYS CB 1 1
9 979 1 1 2 CYS H H 1.314 -0.546 -3.321 1.00 . A A . 2 CYS H 1 1
9 980 1 1 2 CYS HA H 0.117 0.996 -5.517 1.00 . A A . 2 CYS HA 1 1
9 981 1 1 2 CYS HB2 H 3.056 0.317 -5.278 1.00 . A A . 2 CYS HB2 1 1
9 982 1 1 2 CYS HB3 H 2.293 1.125 -6.643 1.00 . A A . 2 CYS HB3 1 1
9 983 1 1 2 CYS N N 0.818 0.181 -3.755 1.00 . A A . 2 CYS N 1 1
9 984 1 1 2 CYS O O 1.752 -1.658 -6.234 1.00 . A A . 2 CYS O 1 1
9 985 1 1 2 CYS SG S 2.557 2.595 -4.784 1.00 . A A . 2 CYS SG 1 1
9 986 1 1 3 VAL C C -0.095 -2.716 -8.191 1.00 . A A . 3 VAL C 1 1
9 987 1 1 3 VAL CA C -0.764 -2.660 -6.822 1.00 . A A . 3 VAL CA 1 1
9 988 1 1 3 VAL CB C -2.279 -2.877 -6.995 1.00 . A A . 3 VAL CB 1 1
9 989 1 1 3 VAL CG1 C -2.920 -3.252 -5.668 1.00 . A A . 3 VAL CG1 1 1
9 990 1 1 3 VAL CG2 C -2.932 -1.633 -7.579 1.00 . A A . 3 VAL CG2 1 1
9 991 1 1 3 VAL H H -1.228 -0.828 -5.868 1.00 . A A . 3 VAL H 1 1
9 992 1 1 3 VAL HA H -0.375 -3.459 -6.209 1.00 . A A . 3 VAL HA 1 1
9 993 1 1 3 VAL HB H -2.429 -3.694 -7.685 1.00 . A A . 3 VAL HB 1 1
9 994 1 1 3 VAL HG11 H -3.795 -3.858 -5.849 1.00 . A A . 3 VAL HG11 1 1
9 995 1 1 3 VAL HG12 H -2.213 -3.808 -5.070 1.00 . A A . 3 VAL HG12 1 1
9 996 1 1 3 VAL HG13 H -3.209 -2.354 -5.141 1.00 . A A . 3 VAL HG13 1 1
9 997 1 1 3 VAL HG21 H -3.555 -1.168 -6.829 1.00 . A A . 3 VAL HG21 1 1
9 998 1 1 3 VAL HG22 H -2.167 -0.937 -7.892 1.00 . A A . 3 VAL HG22 1 1
9 999 1 1 3 VAL HG23 H -3.537 -1.908 -8.430 1.00 . A A . 3 VAL HG23 1 1
9 1000 1 1 3 VAL N N -0.482 -1.397 -6.150 1.00 . A A . 3 VAL N 1 1
9 1001 1 1 3 VAL O O -0.386 -1.874 -9.039 1.00 . A A . 3 VAL O 1 1
9 1002 1 1 4 . C C 2.894 -3.286 -9.504 1.00 . A A . 4 DLE C 1 1
9 1003 1 1 4 . CA C 1.477 -3.847 -9.639 1.00 . A A . 4 DLE CA 1 1
9 1004 1 1 4 . CB C 1.435 -5.304 -10.104 1.00 . A A . 4 DLE CB 1 1
9 1005 1 1 4 . CD1 C 3.344 -6.925 -9.809 1.00 . A A . 4 DLE CD1 1 1
9 1006 1 1 4 . CD2 C 1.089 -7.403 -8.749 1.00 . A A . 4 DLE CD2 1 1
9 1007 1 1 4 . CG C 2.090 -6.325 -9.171 1.00 . A A . 4 DLE CG 1 1
9 1008 1 1 4 . H H 1.010 -4.376 -7.679 1.00 . A A . 4 DLE H 1 1
9 1009 1 1 4 . HA H 0.941 -3.256 -10.382 1.00 . A A . 4 DLE HA 1 1
9 1010 1 1 4 . HB2 H 1.919 -5.369 -11.078 1.00 . A A . 4 DLE HB2 1 1
9 1011 1 1 4 . HB3 H 0.392 -5.589 -10.246 1.00 . A A . 4 DLE HB3 1 1
9 1012 1 1 4 . HD11 H 3.589 -7.864 -9.314 1.00 . A A . 4 DLE HD11 1 1
9 1013 1 1 4 . HD12 H 4.176 -6.228 -9.699 1.00 . A A . 4 DLE HD12 1 1
9 1014 1 1 4 . HD13 H 3.161 -7.108 -10.867 1.00 . A A . 4 DLE HD13 1 1
9 1015 1 1 4 . HD21 H 1.623 -8.328 -8.531 1.00 . A A . 4 DLE HD21 1 1
9 1016 1 1 4 . HD22 H 0.379 -7.576 -9.558 1.00 . A A . 4 DLE HD22 1 1
9 1017 1 1 4 . HD23 H 0.554 -7.074 -7.859 1.00 . A A . 4 DLE HD23 1 1
9 1018 1 1 4 . HG H 2.405 -5.807 -8.265 1.00 . A A . 4 DLE HG 1 1
9 1019 1 1 4 . N N 0.778 -3.695 -8.374 1.00 . A A . 4 DLE N 1 1
9 1020 1 1 4 . O O 3.842 -3.745 -10.143 1.00 . A A . 4 DLE O 1 1
9 1021 1 1 5 TYR C C 4.792 -1.893 -6.992 1.00 . A A . 5 TYR C 1 1
9 1022 1 1 5 TYR CA C 4.305 -1.630 -8.414 1.00 . A A . 5 TYR CA 1 1
9 1023 1 1 5 TYR CB C 4.196 -0.124 -8.657 1.00 . A A . 5 TYR CB 1 1
9 1024 1 1 5 TYR CD1 C 3.547 -0.495 -11.068 1.00 . A A . 5 TYR CD1 1 1
9 1025 1 1 5 TYR CD2 C 2.517 1.303 -9.890 1.00 . A A . 5 TYR CD2 1 1
9 1026 1 1 5 TYR CE1 C 2.826 -0.171 -12.202 1.00 . A A . 5 TYR CE1 1 1
9 1027 1 1 5 TYR CE2 C 1.792 1.634 -11.019 1.00 . A A . 5 TYR CE2 1 1
9 1028 1 1 5 TYR CG C 3.405 0.235 -9.894 1.00 . A A . 5 TYR CG 1 1
9 1029 1 1 5 TYR CZ C 1.950 0.894 -12.172 1.00 . A A . 5 TYR CZ 1 1
9 1030 1 1 5 TYR H H 2.228 -1.953 -8.172 1.00 . A A . 5 TYR H 1 1
9 1031 1 1 5 TYR HA H 5.019 -2.046 -9.110 1.00 . A A . 5 TYR HA 1 1
9 1032 1 1 5 TYR HB2 H 3.712 0.337 -7.810 1.00 . A A . 5 TYR HB2 1 1
9 1033 1 1 5 TYR HB3 H 5.189 0.289 -8.766 1.00 . A A . 5 TYR HB3 1 1
9 1034 1 1 5 TYR HD1 H 4.234 -1.329 -11.089 1.00 . A A . 5 TYR HD1 1 1
9 1035 1 1 5 TYR HD2 H 2.396 1.881 -8.985 1.00 . A A . 5 TYR HD2 1 1
9 1036 1 1 5 TYR HE1 H 2.950 -0.750 -13.105 1.00 . A A . 5 TYR HE1 1 1
9 1037 1 1 5 TYR HE2 H 1.106 2.468 -10.996 1.00 . A A . 5 TYR HE2 1 1
9 1038 1 1 5 TYR HH H 0.465 0.645 -13.367 1.00 . A A . 5 TYR HH 1 1
9 1039 1 1 5 TYR N N 3.019 -2.275 -8.652 1.00 . A A . 5 TYR N 1 1
9 1040 1 1 5 TYR O O 4.716 -1.035 -6.113 1.00 . A A . 5 TYR O 1 1
9 1041 1 1 5 TYR OH O 1.230 1.220 -13.299 1.00 . A A . 5 TYR OH 1 1
9 1042 1 1 6 PRO C C 7.108 -2.793 -5.080 1.00 . A A . 6 PRO C 1 1
9 1043 1 1 6 PRO CA C 5.817 -3.517 -5.448 1.00 . A A . 6 PRO CA 1 1
9 1044 1 1 6 PRO CB C 6.074 -5.016 -5.616 1.00 . A A . 6 PRO CB 1 1
9 1045 1 1 6 PRO CD C 5.428 -4.183 -7.762 1.00 . A A . 6 PRO CD 1 1
9 1046 1 1 6 PRO CG C 6.298 -5.201 -7.077 1.00 . A A . 6 PRO CG 1 1
9 1047 1 1 6 PRO HA H 5.084 -3.360 -4.671 1.00 . A A . 6 PRO HA 1 1
9 1048 1 1 6 PRO HB2 H 6.945 -5.302 -5.042 1.00 . A A . 6 PRO HB2 1 1
9 1049 1 1 6 PRO HB3 H 5.214 -5.573 -5.276 1.00 . A A . 6 PRO HB3 1 1
9 1050 1 1 6 PRO HD2 H 5.907 -3.820 -8.659 1.00 . A A . 6 PRO HD2 1 1
9 1051 1 1 6 PRO HD3 H 4.462 -4.607 -7.992 1.00 . A A . 6 PRO HD3 1 1
9 1052 1 1 6 PRO HG2 H 7.337 -5.027 -7.314 1.00 . A A . 6 PRO HG2 1 1
9 1053 1 1 6 PRO HG3 H 6.008 -6.199 -7.369 1.00 . A A . 6 PRO HG3 1 1
9 1054 1 1 6 PRO N N 5.306 -3.110 -6.760 1.00 . A A . 6 PRO N 1 1
9 1055 1 1 6 PRO O O 7.584 -2.891 -3.948 1.00 . A A . 6 PRO O 1 1
9 1056 1 1 7 TRP C C 8.613 0.081 -5.313 1.00 . A A . 7 TRP C 1 1
9 1057 1 1 7 TRP CA C 8.906 -1.329 -5.816 1.00 . A A . 7 TRP CA 1 1
9 1058 1 1 7 TRP CB C 9.727 -1.263 -7.105 1.00 . A A . 7 TRP CB 1 1
9 1059 1 1 7 TRP CD1 C 9.325 1.023 -8.190 1.00 . A A . 7 TRP CD1 1 1
9 1060 1 1 7 TRP CD2 C 8.314 -0.682 -9.233 1.00 . A A . 7 TRP CD2 1 1
9 1061 1 1 7 TRP CE2 C 8.015 0.509 -9.924 1.00 . A A . 7 TRP CE2 1 1
9 1062 1 1 7 TRP CE3 C 7.787 -1.886 -9.707 1.00 . A A . 7 TRP CE3 1 1
9 1063 1 1 7 TRP CG C 9.153 -0.330 -8.128 1.00 . A A . 7 TRP CG 1 1
9 1064 1 1 7 TRP CH2 C 6.710 -0.666 -11.504 1.00 . A A . 7 TRP CH2 1 1
9 1065 1 1 7 TRP CZ2 C 7.213 0.527 -11.062 1.00 . A A . 7 TRP CZ2 1 1
9 1066 1 1 7 TRP CZ3 C 6.990 -1.866 -10.836 1.00 . A A . 7 TRP CZ3 1 1
9 1067 1 1 7 TRP H H 7.243 -2.031 -6.922 1.00 . A A . 7 TRP H 1 1
9 1068 1 1 7 TRP HA H 9.475 -1.856 -5.064 1.00 . A A . 7 TRP HA 1 1
9 1069 1 1 7 TRP HB2 H 10.726 -0.928 -6.872 1.00 . A A . 7 TRP HB2 1 1
9 1070 1 1 7 TRP HB3 H 9.775 -2.250 -7.542 1.00 . A A . 7 TRP HB3 1 1
9 1071 1 1 7 TRP HD1 H 9.912 1.594 -7.488 1.00 . A A . 7 TRP HD1 1 1
9 1072 1 1 7 TRP HE1 H 8.613 2.480 -9.526 1.00 . A A . 7 TRP HE1 1 1
9 1073 1 1 7 TRP HE3 H 7.991 -2.821 -9.206 1.00 . A A . 7 TRP HE3 1 1
9 1074 1 1 7 TRP HH2 H 6.083 -0.698 -12.382 1.00 . A A . 7 TRP HH2 1 1
9 1075 1 1 7 TRP HZ2 H 6.988 1.444 -11.588 1.00 . A A . 7 TRP HZ2 1 1
9 1076 1 1 7 TRP HZ3 H 6.574 -2.787 -11.217 1.00 . A A . 7 TRP HZ3 1 1
9 1077 1 1 7 TRP N N 7.670 -2.069 -6.040 1.00 . A A . 7 TRP N 1 1
9 1078 1 1 7 TRP NE1 N 8.643 1.534 -9.268 1.00 . A A . 7 TRP NE1 1 1
9 1079 1 1 7 TRP O O 9.529 0.867 -5.072 1.00 . A A . 7 TRP O 1 1
9 1080 1 1 8 CYS C C 7.649 2.078 -3.395 1.00 . A A . 8 CYS C 1 1
9 1081 1 1 8 CYS CA C 6.918 1.709 -4.683 1.00 . A A . 8 CYS CA 1 1
9 1082 1 1 8 CYS CB C 5.406 1.737 -4.450 1.00 . A A . 8 CYS CB 1 1
9 1083 1 1 8 CYS H H 6.646 -0.276 -5.366 1.00 . A A . 8 CYS H 1 1
9 1084 1 1 8 CYS HA H 7.169 2.431 -5.445 1.00 . A A . 8 CYS HA 1 1
9 1085 1 1 8 CYS HB2 H 4.996 0.764 -4.677 1.00 . A A . 8 CYS HB2 1 1
9 1086 1 1 8 CYS HB3 H 5.213 1.970 -3.413 1.00 . A A . 8 CYS HB3 1 1
9 1087 1 1 8 CYS N N 7.331 0.394 -5.157 1.00 . A A . 8 CYS N 1 1
9 1088 1 1 8 CYS O O 8.092 3.214 -3.226 1.00 . A A . 8 CYS O 1 1
9 1089 1 1 8 CYS SG S 4.519 2.961 -5.467 1.00 . A A . 8 CYS SG 1 1
10 1090 1 1 1 GLY C C -0.031 0.712 -3.094 1.00 . A A . 1 GLY C 1 1
10 1091 1 1 1 GLY CA C 0.167 0.586 -1.597 1.00 . A A . 1 GLY CA 1 1
10 1092 1 1 1 GLY H1 H -1.919 0.286 -1.390 1.00 . A A . 1 GLY H1 1 1
10 1093 1 1 1 GLY HA2 H 0.610 1.498 -1.225 1.00 . A A . 1 GLY HA2 1 1
10 1094 1 1 1 GLY HA3 H 0.841 -0.235 -1.402 1.00 . A A . 1 GLY HA3 1 1
10 1095 1 1 1 GLY N N -1.078 0.347 -0.890 1.00 . A A . 1 GLY N 1 1
10 1096 1 1 1 GLY O O -1.085 1.153 -3.554 1.00 . A A . 1 GLY O 1 1
10 1097 1 1 2 CYS C C 0.873 -0.997 -5.927 1.00 . A A . 2 CYS C 1 1
10 1098 1 1 2 CYS CA C 0.919 0.399 -5.313 1.00 . A A . 2 CYS CA 1 1
10 1099 1 1 2 CYS CB C 2.123 1.169 -5.860 1.00 . A A . 2 CYS CB 1 1
10 1100 1 1 2 CYS H H 1.799 -0.017 -3.434 1.00 . A A . 2 CYS H 1 1
10 1101 1 1 2 CYS HA H 0.015 0.925 -5.579 1.00 . A A . 2 CYS HA 1 1
10 1102 1 1 2 CYS HB2 H 3.005 0.552 -5.773 1.00 . A A . 2 CYS HB2 1 1
10 1103 1 1 2 CYS HB3 H 1.951 1.398 -6.902 1.00 . A A . 2 CYS HB3 1 1
10 1104 1 1 2 CYS N N 0.985 0.326 -3.858 1.00 . A A . 2 CYS N 1 1
10 1105 1 1 2 CYS O O 1.910 -1.587 -6.233 1.00 . A A . 2 CYS O 1 1
10 1106 1 1 2 CYS SG S 2.457 2.738 -4.996 1.00 . A A . 2 CYS SG 1 1
10 1107 1 1 3 VAL C C 0.194 -2.964 -8.024 1.00 . A A . 3 VAL C 1 1
10 1108 1 1 3 VAL CA C -0.518 -2.847 -6.681 1.00 . A A . 3 VAL CA 1 1
10 1109 1 1 3 VAL CB C -2.010 -3.176 -6.873 1.00 . A A . 3 VAL CB 1 1
10 1110 1 1 3 VAL CG1 C -2.692 -3.369 -5.527 1.00 . A A . 3 VAL CG1 1 1
10 1111 1 1 3 VAL CG2 C -2.697 -2.081 -7.676 1.00 . A A . 3 VAL CG2 1 1
10 1112 1 1 3 VAL H H -1.124 -1.003 -5.838 1.00 . A A . 3 VAL H 1 1
10 1113 1 1 3 VAL HA H -0.097 -3.570 -5.997 1.00 . A A . 3 VAL HA 1 1
10 1114 1 1 3 VAL HB H -2.086 -4.100 -7.426 1.00 . A A . 3 VAL HB 1 1
10 1115 1 1 3 VAL HG11 H -3.397 -4.184 -5.595 1.00 . A A . 3 VAL HG11 1 1
10 1116 1 1 3 VAL HG12 H -1.950 -3.594 -4.776 1.00 . A A . 3 VAL HG12 1 1
10 1117 1 1 3 VAL HG13 H -3.215 -2.463 -5.256 1.00 . A A . 3 VAL HG13 1 1
10 1118 1 1 3 VAL HG21 H -3.767 -2.214 -7.622 1.00 . A A . 3 VAL HG21 1 1
10 1119 1 1 3 VAL HG22 H -2.433 -1.116 -7.269 1.00 . A A . 3 VAL HG22 1 1
10 1120 1 1 3 VAL HG23 H -2.378 -2.136 -8.706 1.00 . A A . 3 VAL HG23 1 1
10 1121 1 1 3 VAL N N -0.336 -1.521 -6.103 1.00 . A A . 3 VAL N 1 1
10 1122 1 1 3 VAL O O -0.099 -2.186 -8.930 1.00 . A A . 3 VAL O 1 1
10 1123 1 1 4 . C C 3.232 -3.496 -9.222 1.00 . A A . 4 DLE C 1 1
10 1124 1 1 4 . CA C 1.845 -4.127 -9.355 1.00 . A A . 4 DLE CA 1 1
10 1125 1 1 4 . CB C 1.878 -5.613 -9.720 1.00 . A A . 4 DLE CB 1 1
10 1126 1 1 4 . CD1 C -0.631 -5.825 -9.869 1.00 . A A . 4 DLE CD1 1 1
10 1127 1 1 4 . CD2 C 0.864 -7.612 -10.875 1.00 . A A . 4 DLE CD2 1 1
10 1128 1 1 4 . CG C 0.703 -6.124 -10.557 1.00 . A A . 4 DLE CG 1 1
10 1129 1 1 4 . H H 1.336 -4.551 -7.380 1.00 . A A . 4 DLE H 1 1
10 1130 1 1 4 . HA H 1.305 -3.612 -10.150 1.00 . A A . 4 DLE HA 1 1
10 1131 1 1 4 . HB2 H 1.920 -6.192 -8.797 1.00 . A A . 4 DLE HB2 1 1
10 1132 1 1 4 . HB3 H 2.800 -5.812 -10.264 1.00 . A A . 4 DLE HB3 1 1
10 1133 1 1 4 . HD11 H -0.782 -4.747 -9.823 1.00 . A A . 4 DLE HD11 1 1
10 1134 1 1 4 . HD12 H -0.619 -6.235 -8.859 1.00 . A A . 4 DLE HD12 1 1
10 1135 1 1 4 . HD13 H -1.442 -6.282 -10.437 1.00 . A A . 4 DLE HD13 1 1
10 1136 1 1 4 . HD21 H 1.415 -7.726 -11.808 1.00 . A A . 4 DLE HD21 1 1
10 1137 1 1 4 . HD22 H -0.120 -8.070 -10.976 1.00 . A A . 4 DLE HD22 1 1
10 1138 1 1 4 . HD23 H 1.410 -8.099 -10.068 1.00 . A A . 4 DLE HD23 1 1
10 1139 1 1 4 . HG H 0.702 -5.590 -11.507 1.00 . A A . 4 DLE HG 1 1
10 1140 1 1 4 . N N 1.104 -3.922 -8.122 1.00 . A A . 4 DLE N 1 1
10 1141 1 1 4 . O O 4.223 -3.975 -9.774 1.00 . A A . 4 DLE O 1 1
10 1142 1 1 5 TYR C C 4.966 -1.784 -6.792 1.00 . A A . 5 TYR C 1 1
10 1143 1 1 5 TYR CA C 4.529 -1.681 -8.250 1.00 . A A . 5 TYR CA 1 1
10 1144 1 1 5 TYR CB C 4.373 -0.212 -8.644 1.00 . A A . 5 TYR CB 1 1
10 1145 1 1 5 TYR CD1 C 3.836 -0.842 -11.030 1.00 . A A . 5 TYR CD1 1 1
10 1146 1 1 5 TYR CD2 C 2.688 1.014 -10.071 1.00 . A A . 5 TYR CD2 1 1
10 1147 1 1 5 TYR CE1 C 3.150 -0.660 -12.215 1.00 . A A . 5 TYR CE1 1 1
10 1148 1 1 5 TYR CE2 C 1.996 1.203 -11.252 1.00 . A A . 5 TYR CE2 1 1
10 1149 1 1 5 TYR CG C 3.619 -0.009 -9.939 1.00 . A A . 5 TYR CG 1 1
10 1150 1 1 5 TYR CZ C 2.231 0.363 -12.321 1.00 . A A . 5 TYR CZ 1 1
10 1151 1 1 5 TYR H H 2.457 -2.067 -8.058 1.00 . A A . 5 TYR H 1 1
10 1152 1 1 5 TYR HA H 5.287 -2.132 -8.874 1.00 . A A . 5 TYR HA 1 1
10 1153 1 1 5 TYR HB2 H 3.837 0.308 -7.865 1.00 . A A . 5 TYR HB2 1 1
10 1154 1 1 5 TYR HB3 H 5.352 0.230 -8.758 1.00 . A A . 5 TYR HB3 1 1
10 1155 1 1 5 TYR HD1 H 4.556 -1.643 -10.943 1.00 . A A . 5 TYR HD1 1 1
10 1156 1 1 5 TYR HD2 H 2.506 1.670 -9.232 1.00 . A A . 5 TYR HD2 1 1
10 1157 1 1 5 TYR HE1 H 3.333 -1.317 -13.052 1.00 . A A . 5 TYR HE1 1 1
10 1158 1 1 5 TYR HE2 H 1.277 2.004 -11.336 1.00 . A A . 5 TYR HE2 1 1
10 1159 1 1 5 TYR HH H 1.746 -0.172 -14.102 1.00 . A A . 5 TYR HH 1 1
10 1160 1 1 5 TYR N N 3.281 -2.401 -8.472 1.00 . A A . 5 TYR N 1 1
10 1161 1 1 5 TYR O O 4.812 -0.851 -6.003 1.00 . A A . 5 TYR O 1 1
10 1162 1 1 5 TYR OH O 1.544 0.547 -13.499 1.00 . A A . 5 TYR OH 1 1
10 1163 1 1 6 PRO C C 7.237 -2.382 -4.713 1.00 . A A . 6 PRO C 1 1
10 1164 1 1 6 PRO CA C 5.998 -3.201 -5.059 1.00 . A A . 6 PRO CA 1 1
10 1165 1 1 6 PRO CB C 6.330 -4.695 -5.072 1.00 . A A . 6 PRO CB 1 1
10 1166 1 1 6 PRO CD C 5.740 -4.102 -7.311 1.00 . A A . 6 PRO CD 1 1
10 1167 1 1 6 PRO CG C 6.626 -5.005 -6.498 1.00 . A A . 6 PRO CG 1 1
10 1168 1 1 6 PRO HA H 5.225 -3.008 -4.330 1.00 . A A . 6 PRO HA 1 1
10 1169 1 1 6 PRO HB2 H 7.187 -4.881 -4.440 1.00 . A A . 6 PRO HB2 1 1
10 1170 1 1 6 PRO HB3 H 5.483 -5.259 -4.713 1.00 . A A . 6 PRO HB3 1 1
10 1171 1 1 6 PRO HD2 H 6.240 -3.802 -8.220 1.00 . A A . 6 PRO HD2 1 1
10 1172 1 1 6 PRO HD3 H 4.805 -4.593 -7.536 1.00 . A A . 6 PRO HD3 1 1
10 1173 1 1 6 PRO HG2 H 7.664 -4.803 -6.711 1.00 . A A . 6 PRO HG2 1 1
10 1174 1 1 6 PRO HG3 H 6.395 -6.040 -6.704 1.00 . A A . 6 PRO HG3 1 1
10 1175 1 1 6 PRO N N 5.525 -2.947 -6.424 1.00 . A A . 6 PRO N 1 1
10 1176 1 1 6 PRO O O 7.667 -2.348 -3.560 1.00 . A A . 6 PRO O 1 1
10 1177 1 1 7 TRP C C 8.616 0.528 -5.164 1.00 . A A . 7 TRP C 1 1
10 1178 1 1 7 TRP CA C 8.995 -0.905 -5.517 1.00 . A A . 7 TRP CA 1 1
10 1179 1 1 7 TRP CB C 9.867 -0.921 -6.774 1.00 . A A . 7 TRP CB 1 1
10 1180 1 1 7 TRP CD1 C 9.398 1.227 -8.093 1.00 . A A . 7 TRP CD1 1 1
10 1181 1 1 7 TRP CD2 C 8.520 -0.622 -9.002 1.00 . A A . 7 TRP CD2 1 1
10 1182 1 1 7 TRP CE2 C 8.193 0.479 -9.818 1.00 . A A . 7 TRP CE2 1 1
10 1183 1 1 7 TRP CE3 C 8.076 -1.893 -9.376 1.00 . A A . 7 TRP CE3 1 1
10 1184 1 1 7 TRP CG C 9.292 -0.122 -7.905 1.00 . A A . 7 TRP CG 1 1
10 1185 1 1 7 TRP CH2 C 7.019 -0.911 -11.324 1.00 . A A . 7 TRP CH2 1 1
10 1186 1 1 7 TRP CZ2 C 7.441 0.345 -10.982 1.00 . A A . 7 TRP CZ2 1 1
10 1187 1 1 7 TRP CZ3 C 7.329 -2.024 -10.532 1.00 . A A . 7 TRP CZ3 1 1
10 1188 1 1 7 TRP H H 7.415 -1.791 -6.614 1.00 . A A . 7 TRP H 1 1
10 1189 1 1 7 TRP HA H 9.555 -1.330 -4.697 1.00 . A A . 7 TRP HA 1 1
10 1190 1 1 7 TRP HB2 H 10.837 -0.512 -6.537 1.00 . A A . 7 TRP HB2 1 1
10 1191 1 1 7 TRP HB3 H 9.982 -1.941 -7.111 1.00 . A A . 7 TRP HB3 1 1
10 1192 1 1 7 TRP HD1 H 9.925 1.893 -7.428 1.00 . A A . 7 TRP HD1 1 1
10 1193 1 1 7 TRP HE1 H 8.673 2.508 -9.591 1.00 . A A . 7 TRP HE1 1 1
10 1194 1 1 7 TRP HE3 H 8.305 -2.763 -8.779 1.00 . A A . 7 TRP HE3 1 1
10 1195 1 1 7 TRP HH2 H 6.433 -1.060 -12.218 1.00 . A A . 7 TRP HH2 1 1
10 1196 1 1 7 TRP HZ2 H 7.194 1.193 -11.603 1.00 . A A . 7 TRP HZ2 1 1
10 1197 1 1 7 TRP HZ3 H 6.976 -2.999 -10.837 1.00 . A A . 7 TRP HZ3 1 1
10 1198 1 1 7 TRP N N 7.805 -1.725 -5.717 1.00 . A A . 7 TRP N 1 1
10 1199 1 1 7 TRP NE1 N 8.739 1.595 -9.241 1.00 . A A . 7 TRP NE1 1 1
10 1200 1 1 7 TRP O O 9.484 1.381 -4.973 1.00 . A A . 7 TRP O 1 1
10 1201 1 1 8 CYS C C 7.489 2.648 -3.481 1.00 . A A . 8 CYS C 1 1
10 1202 1 1 8 CYS CA C 6.821 2.119 -4.747 1.00 . A A . 8 CYS CA 1 1
10 1203 1 1 8 CYS CB C 5.303 2.091 -4.563 1.00 . A A . 8 CYS CB 1 1
10 1204 1 1 8 CYS H H 6.672 0.066 -5.241 1.00 . A A . 8 CYS H 1 1
10 1205 1 1 8 CYS HA H 7.064 2.776 -5.568 1.00 . A A . 8 CYS HA 1 1
10 1206 1 1 8 CYS HB2 H 4.946 1.085 -4.730 1.00 . A A . 8 CYS HB2 1 1
10 1207 1 1 8 CYS HB3 H 5.065 2.388 -3.553 1.00 . A A . 8 CYS HB3 1 1
10 1208 1 1 8 CYS N N 7.316 0.788 -5.078 1.00 . A A . 8 CYS N 1 1
10 1209 1 1 8 CYS O O 7.963 1.875 -2.648 1.00 . A A . 8 CYS O 1 1
10 1210 1 1 8 CYS SG S 4.396 3.193 -5.695 1.00 . A A . 8 CYS SG 1 1
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