NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
568238 |
2m6c   |
19128 | cing | 4-filtered-FRED | STAR | entry | full | 24 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2m6c
# This FRED archive file contains, for PDB entry <2m6c>:
#
# - 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_2m6c
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2m6c
_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_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 CYS SG . 2 CYSS SG 1 1
1 1 2 1 1 8 CYS SG . 8 CYSS SG 1 1
2 1 1 1 1 2 CYS SG . 2 CYSS SG 1 1
2 1 2 1 1 8 CYS CB . 8 CYSS CB 1 1
3 1 1 1 1 2 CYS CB . 2 CYSS CB 1 1
3 1 2 1 1 8 CYS SG . 8 CYSS SG 1 1
4 1 1 1 1 2 CYS CB . 2 CYSS CB 1 1
4 1 2 1 1 8 CYS CB . 8 CYSS CB 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 2.1 1 1
2 1 . . . . . . . 3.1 1 1
3 1 . . . . . . . 3.1 1 1
4 1 . . . . . . . 4.5 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 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 5 TYR HA . 5 TYR HA 1 2
2 1 2 1 1 5 TYR QD . 5 TYR QD 1 2
3 1 1 1 1 5 TYR H . 5 TYR H 1 2
3 1 2 1 1 5 TYR QB . 5 TYR QB 1 2
4 1 1 1 1 5 TYR HA . 5 TYR HA 1 2
4 1 2 1 1 6 PRO HA . 6 PRO HA 1 2
5 1 1 1 1 5 TYR QD . 5 TYR QD 1 2
5 1 2 1 1 6 PRO QD . 6 PRO QD 1 2
6 1 1 1 1 5 TYR QD . 5 TYR QD 1 2
6 1 2 1 1 6 PRO HA . 6 PRO HA 1 2
7 1 1 1 1 5 TYR QE . 5 TYR QE 1 2
7 1 2 1 1 6 PRO QB . 6 PRO QB 1 2
8 1 1 1 1 5 TYR QE . 5 TYR QE 1 2
8 1 2 1 1 6 PRO HA . 6 PRO HA 1 2
9 1 1 1 1 5 TYR HA . 5 TYR HA 1 2
9 1 2 1 1 7 TRP H . 7 TRP H 1 2
10 1 1 1 1 6 PRO QD . 6 PRO QD 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 7 TRP HA . 7 TRP HA 1 2
12 1 2 1 1 7 TRP HE3 . 7 TRP HE3 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 H . 7 TRP H 1 2
14 1 2 1 1 8 CYS H . 8 CYSS H 1 2
15 1 1 1 1 5 TYR HA . 5 TYR HA 1 2
15 1 2 1 1 8 CYS H . 8 CYSS H 1 2
16 1 1 1 1 7 TRP HA . 7 TRP HA 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 . . . . . . . 3.15 1 2
3 1 . . . . . . . 3.5 1 2
4 1 . . . . . . . 2.4 1 2
5 1 . . . . . . . 5.0 1 2
6 1 . . . . . . . 3.5 1 2
7 1 . . . . . . . 5.0 1 2
8 1 . . . . . . . 5.0 1 2
9 1 . . . . . . . 3.0 1 2
10 1 . . . . . . . 3.5 1 2
11 1 . . . . . . . 3.5 1 2
12 1 . . . . . . . 2.5 1 2
13 1 . . . . . . . 3.5 1 2
14 1 . . . . . . . 5.0 1 2
15 1 . . . . . . . 3.5 1 2
16 1 . . . . . . . 3.5 1 2
17 1 . . . . . . . 3.0 1 2
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 3
2 1 . . . 1 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 CYS O . 2 CYSS O 1 3
1 1 2 1 1 5 TYR H . 5 TYR H 1 3
2 1 1 1 1 2 CYS O . 2 CYSS O 1 3
2 1 2 1 1 5 TYR N . 5 TYR N 1 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 2.2 1 3
2 1 . . . . . . . 3.2 1 3
stop_
save_
save_DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI 1 1 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 1.928 1.305 -2.006 1.00 . A A . 1 GLY C 1 1
1 2 1 1 1 GLY CA C 2.071 0.001 -1.247 1.00 . A A . 1 GLY CA 1 1
1 3 1 1 1 GLY H1 H 1.811 -0.001 0.854 1.00 . A A . 1 GLY H1 1 1
1 4 1 1 1 GLY HA2 H 3.116 -0.165 -1.032 1.00 . A A . 1 GLY HA2 1 1
1 5 1 1 1 GLY HA3 H 1.710 -0.805 -1.869 1.00 . A A . 1 GLY HA3 1 1
1 6 1 1 1 GLY N N 1.330 0.000 0.000 1.00 . A A . 1 GLY N 1 1
1 7 1 1 1 GLY O O 1.764 1.307 -3.227 1.00 . A A . 1 GLY O 1 1
1 8 1 1 2 CYS C C 3.174 4.162 -2.544 1.00 . A A . 2 CYS C 1 1
1 9 1 1 2 CYS CA C 1.861 3.736 -1.894 1.00 . A A . 2 CYS CA 1 1
1 10 1 1 2 CYS CB C 1.439 4.769 -0.847 1.00 . A A . 2 CYS CB 1 1
1 11 1 1 2 CYS H H 2.120 2.352 -0.313 1.00 . A A . 2 CYS H 1 1
1 12 1 1 2 CYS HA H 1.099 3.676 -2.656 1.00 . A A . 2 CYS HA 1 1
1 13 1 1 2 CYS HB2 H 0.437 4.540 -0.511 1.00 . A A . 2 CYS HB2 1 1
1 14 1 1 2 CYS HB3 H 2.115 4.716 -0.007 1.00 . A A . 2 CYS HB3 1 1
1 15 1 1 2 CYS N N 1.988 2.418 -1.283 1.00 . A A . 2 CYS N 1 1
1 16 1 1 2 CYS O O 4.039 4.750 -1.895 1.00 . A A . 2 CYS O 1 1
1 17 1 1 2 CYS SG S 1.440 6.486 -1.454 1.00 . A A . 2 CYS SG 1 1
1 18 1 1 3 VAL C C 4.859 5.691 -4.399 1.00 . A A . 3 VAL C 1 1
1 19 1 1 3 VAL CA C 4.522 4.214 -4.571 1.00 . A A . 3 VAL CA 1 1
1 20 1 1 3 VAL CB C 4.371 3.905 -6.072 1.00 . A A . 3 VAL CB 1 1
1 21 1 1 3 VAL CG1 C 5.653 4.239 -6.818 1.00 . A A . 3 VAL CG1 1 1
1 22 1 1 3 VAL CG2 C 3.989 2.447 -6.279 1.00 . A A . 3 VAL CG2 1 1
1 23 1 1 3 VAL H H 2.591 3.392 -4.295 1.00 . A A . 3 VAL H 1 1
1 24 1 1 3 VAL HA H 5.337 3.621 -4.182 1.00 . A A . 3 VAL HA 1 1
1 25 1 1 3 VAL HB H 3.578 4.523 -6.468 1.00 . A A . 3 VAL HB 1 1
1 26 1 1 3 VAL HG11 H 5.591 5.245 -7.207 1.00 . A A . 3 VAL HG11 1 1
1 27 1 1 3 VAL HG12 H 6.493 4.165 -6.143 1.00 . A A . 3 VAL HG12 1 1
1 28 1 1 3 VAL HG13 H 5.785 3.546 -7.635 1.00 . A A . 3 VAL HG13 1 1
1 29 1 1 3 VAL HG21 H 2.965 2.387 -6.617 1.00 . A A . 3 VAL HG21 1 1
1 30 1 1 3 VAL HG22 H 4.639 2.007 -7.020 1.00 . A A . 3 VAL HG22 1 1
1 31 1 1 3 VAL HG23 H 4.091 1.911 -5.346 1.00 . A A . 3 VAL HG23 1 1
1 32 1 1 3 VAL N N 3.316 3.862 -3.831 1.00 . A A . 3 VAL N 1 1
1 33 1 1 3 VAL O O 4.216 6.533 -5.025 1.00 . A A . 3 VAL O 1 1
1 34 1 1 4 . C C 6.810 7.465 -1.900 1.00 . A A . 4 DLE C 1 1
1 35 1 1 4 . CA C 6.259 7.344 -3.323 1.00 . A A . 4 DLE CA 1 1
1 36 1 1 4 . CB C 7.238 7.809 -4.403 1.00 . A A . 4 DLE CB 1 1
1 37 1 1 4 . CD1 C 6.124 8.605 -6.520 1.00 . A A . 4 DLE CD1 1 1
1 38 1 1 4 . CD2 C 7.990 9.967 -5.471 1.00 . A A . 4 DLE CD2 1 1
1 39 1 1 4 . CG C 6.807 9.030 -5.219 1.00 . A A . 4 DLE CG 1 1
1 40 1 1 4 . H H 6.368 5.281 -3.060 1.00 . A A . 4 DLE H 1 1
1 41 1 1 4 . HA H 5.370 7.969 -3.403 1.00 . A A . 4 DLE HA 1 1
1 42 1 1 4 . HB2 H 7.412 6.981 -5.089 1.00 . A A . 4 DLE HB2 1 1
1 43 1 1 4 . HB3 H 8.193 8.034 -3.927 1.00 . A A . 4 DLE HB3 1 1
1 44 1 1 4 . HD11 H 6.395 9.299 -7.316 1.00 . A A . 4 DLE HD11 1 1
1 45 1 1 4 . HD12 H 5.043 8.614 -6.383 1.00 . A A . 4 DLE HD12 1 1
1 46 1 1 4 . HD13 H 6.448 7.600 -6.789 1.00 . A A . 4 DLE HD13 1 1
1 47 1 1 4 . HD21 H 7.865 10.457 -6.436 1.00 . A A . 4 DLE HD21 1 1
1 48 1 1 4 . HD22 H 8.915 9.391 -5.473 1.00 . A A . 4 DLE HD22 1 1
1 49 1 1 4 . HD23 H 8.031 10.719 -4.684 1.00 . A A . 4 DLE HD23 1 1
1 50 1 1 4 . HG H 6.073 9.587 -4.637 1.00 . A A . 4 DLE HG 1 1
1 51 1 1 4 . N N 5.850 5.971 -3.565 1.00 . A A . 4 DLE N 1 1
1 52 1 1 4 . O O 7.606 8.348 -1.581 1.00 . A A . 4 DLE O 1 1
1 53 1 1 5 TYR C C 8.314 6.583 0.449 1.00 . A A . 5 TYR C 1 1
1 54 1 1 5 TYR CA C 6.793 6.532 0.347 1.00 . A A . 5 TYR CA 1 1
1 55 1 1 5 TYR CB C 6.265 5.279 1.048 1.00 . A A . 5 TYR CB 1 1
1 56 1 1 5 TYR CD1 C 4.067 6.399 1.587 1.00 . A A . 5 TYR CD1 1 1
1 57 1 1 5 TYR CD2 C 5.021 4.950 3.221 1.00 . A A . 5 TYR CD2 1 1
1 58 1 1 5 TYR CE1 C 2.997 6.648 2.426 1.00 . A A . 5 TYR CE1 1 1
1 59 1 1 5 TYR CE2 C 3.955 5.192 4.066 1.00 . A A . 5 TYR CE2 1 1
1 60 1 1 5 TYR CG C 5.096 5.548 1.969 1.00 . A A . 5 TYR CG 1 1
1 61 1 1 5 TYR CZ C 2.946 6.042 3.664 1.00 . A A . 5 TYR CZ 1 1
1 62 1 1 5 TYR H H 5.730 5.872 -1.360 1.00 . A A . 5 TYR H 1 1
1 63 1 1 5 TYR HA H 6.381 7.405 0.832 1.00 . A A . 5 TYR HA 1 1
1 64 1 1 5 TYR HB2 H 5.944 4.567 0.305 1.00 . A A . 5 TYR HB2 1 1
1 65 1 1 5 TYR HB3 H 7.059 4.844 1.638 1.00 . A A . 5 TYR HB3 1 1
1 66 1 1 5 TYR HD1 H 4.110 6.872 0.617 1.00 . A A . 5 TYR HD1 1 1
1 67 1 1 5 TYR HD2 H 5.813 4.285 3.533 1.00 . A A . 5 TYR HD2 1 1
1 68 1 1 5 TYR HE1 H 2.207 7.313 2.111 1.00 . A A . 5 TYR HE1 1 1
1 69 1 1 5 TYR HE2 H 3.914 4.717 5.035 1.00 . A A . 5 TYR HE2 1 1
1 70 1 1 5 TYR HH H 1.170 5.673 4.301 1.00 . A A . 5 TYR HH 1 1
1 71 1 1 5 TYR N N 6.364 6.550 -1.047 1.00 . A A . 5 TYR N 1 1
1 72 1 1 5 TYR O O 9.037 6.278 -0.500 1.00 . A A . 5 TYR O 1 1
1 73 1 1 5 TYR OH O 1.882 6.286 4.501 1.00 . A A . 5 TYR OH 1 1
1 74 1 1 6 PRO C C 7.216 8.654 2.533 1.00 . A A . 6 PRO C 1 1
1 75 1 1 6 PRO CA C 7.963 7.345 2.766 1.00 . A A . 6 PRO CA 1 1
1 76 1 1 6 PRO CB C 8.958 7.496 3.920 1.00 . A A . 6 PRO CB 1 1
1 77 1 1 6 PRO CD C 10.247 7.099 1.946 1.00 . A A . 6 PRO CD 1 1
1 78 1 1 6 PRO CG C 10.253 7.826 3.262 1.00 . A A . 6 PRO CG 1 1
1 79 1 1 6 PRO HA H 7.254 6.564 2.999 1.00 . A A . 6 PRO HA 1 1
1 80 1 1 6 PRO HB2 H 8.633 8.290 4.577 1.00 . A A . 6 PRO HB2 1 1
1 81 1 1 6 PRO HB3 H 9.020 6.569 4.470 1.00 . A A . 6 PRO HB3 1 1
1 82 1 1 6 PRO HD2 H 10.760 7.678 1.193 1.00 . A A . 6 PRO HD2 1 1
1 83 1 1 6 PRO HD3 H 10.700 6.124 2.051 1.00 . A A . 6 PRO HD3 1 1
1 84 1 1 6 PRO HG2 H 10.323 8.891 3.102 1.00 . A A . 6 PRO HG2 1 1
1 85 1 1 6 PRO HG3 H 11.074 7.483 3.875 1.00 . A A . 6 PRO HG3 1 1
1 86 1 1 6 PRO N N 8.813 6.979 1.630 1.00 . A A . 6 PRO N 1 1
1 87 1 1 6 PRO O O 6.282 8.985 3.263 1.00 . A A . 6 PRO O 1 1
1 88 1 1 7 TRP C C 6.040 10.511 0.011 1.00 . A A . 7 TRP C 1 1
1 89 1 1 7 TRP CA C 7.002 10.667 1.183 1.00 . A A . 7 TRP CA 1 1
1 90 1 1 7 TRP CB C 8.065 11.715 0.849 1.00 . A A . 7 TRP CB 1 1
1 91 1 1 7 TRP CD1 C 8.150 14.165 1.595 1.00 . A A . 7 TRP CD1 1 1
1 92 1 1 7 TRP CD2 C 8.221 12.688 3.277 1.00 . A A . 7 TRP CD2 1 1
1 93 1 1 7 TRP CE2 C 8.274 13.987 3.818 1.00 . A A . 7 TRP CE2 1 1
1 94 1 1 7 TRP CE3 C 8.250 11.595 4.147 1.00 . A A . 7 TRP CE3 1 1
1 95 1 1 7 TRP CG C 8.141 12.824 1.854 1.00 . A A . 7 TRP CG 1 1
1 96 1 1 7 TRP CH2 C 8.383 13.132 6.017 1.00 . A A . 7 TRP CH2 1 1
1 97 1 1 7 TRP CZ2 C 8.356 14.220 5.188 1.00 . A A . 7 TRP CZ2 1 1
1 98 1 1 7 TRP CZ3 C 8.331 11.828 5.507 1.00 . A A . 7 TRP CZ3 1 1
1 99 1 1 7 TRP H H 8.383 9.076 0.966 1.00 . A A . 7 TRP H 1 1
1 100 1 1 7 TRP HA H 6.446 10.994 2.049 1.00 . A A . 7 TRP HA 1 1
1 101 1 1 7 TRP HB2 H 9.032 11.237 0.807 1.00 . A A . 7 TRP HB2 1 1
1 102 1 1 7 TRP HB3 H 7.840 12.151 -0.113 1.00 . A A . 7 TRP HB3 1 1
1 103 1 1 7 TRP HD1 H 8.103 14.594 0.606 1.00 . A A . 7 TRP HD1 1 1
1 104 1 1 7 TRP HE1 H 8.252 15.848 2.849 1.00 . A A . 7 TRP HE1 1 1
1 105 1 1 7 TRP HE3 H 8.211 10.582 3.773 1.00 . A A . 7 TRP HE3 1 1
1 106 1 1 7 TRP HH2 H 8.447 13.266 7.086 1.00 . A A . 7 TRP HH2 1 1
1 107 1 1 7 TRP HZ2 H 8.396 15.220 5.597 1.00 . A A . 7 TRP HZ2 1 1
1 108 1 1 7 TRP HZ3 H 8.356 10.995 6.195 1.00 . A A . 7 TRP HZ3 1 1
1 109 1 1 7 TRP N N 7.633 9.394 1.512 1.00 . A A . 7 TRP N 1 1
1 110 1 1 7 TRP NE1 N 8.231 14.871 2.772 1.00 . A A . 7 TRP NE1 1 1
1 111 1 1 7 TRP O O 6.425 10.670 -1.148 1.00 . A A . 7 TRP O 1 1
1 112 1 1 8 CYS C C 3.130 11.356 -1.081 1.00 . A A . 8 CYS C 1 1
1 113 1 1 8 CYS CA C 3.767 10.020 -0.709 1.00 . A A . 8 CYS CA 1 1
1 114 1 1 8 CYS CB C 2.690 9.046 -0.226 1.00 . A A . 8 CYS CB 1 1
1 115 1 1 8 CYS H H 4.538 10.085 1.261 1.00 . A A . 8 CYS H 1 1
1 116 1 1 8 CYS HA H 4.246 9.608 -1.584 1.00 . A A . 8 CYS HA 1 1
1 117 1 1 8 CYS HB2 H 3.008 8.604 0.707 1.00 . A A . 8 CYS HB2 1 1
1 118 1 1 8 CYS HB3 H 1.770 9.589 -0.066 1.00 . A A . 8 CYS HB3 1 1
1 119 1 1 8 CYS N N 4.785 10.198 0.319 1.00 . A A . 8 CYS N 1 1
1 120 1 1 8 CYS O O 2.597 11.516 -2.179 1.00 . A A . 8 CYS O 1 1
1 121 1 1 8 CYS SG S 2.339 7.690 -1.390 1.00 . A A . 8 CYS SG 1 1
2 122 1 1 1 GLY C C 1.135 1.483 -1.156 1.00 . A A . 1 GLY C 1 1
2 123 1 1 1 GLY CA C 1.439 0.144 -0.515 1.00 . A A . 1 GLY CA 1 1
2 124 1 1 1 GLY H1 H -0.445 -0.101 0.421 1.00 . A A . 1 GLY H1 1 1
2 125 1 1 1 GLY HA2 H 2.445 0.163 -0.124 1.00 . A A . 1 GLY HA2 1 1
2 126 1 1 1 GLY HA3 H 1.372 -0.627 -1.269 1.00 . A A . 1 GLY HA3 1 1
2 127 1 1 1 GLY N N 0.522 -0.176 0.564 1.00 . A A . 1 GLY N 1 1
2 128 1 1 1 GLY O O -0.023 1.801 -1.429 1.00 . A A . 1 GLY O 1 1
2 129 1 1 2 CYS C C 3.321 4.049 -2.651 1.00 . A A . 2 CYS C 1 1
2 130 1 1 2 CYS CA C 2.017 3.586 -2.008 1.00 . A A . 2 CYS CA 1 1
2 131 1 1 2 CYS CB C 1.560 4.605 -0.963 1.00 . A A . 2 CYS CB 1 1
2 132 1 1 2 CYS H H 3.076 1.963 -1.157 1.00 . A A . 2 CYS H 1 1
2 133 1 1 2 CYS HA H 1.261 3.505 -2.775 1.00 . A A . 2 CYS HA 1 1
2 134 1 1 2 CYS HB2 H 0.563 4.349 -0.633 1.00 . A A . 2 CYS HB2 1 1
2 135 1 1 2 CYS HB3 H 2.233 4.571 -0.120 1.00 . A A . 2 CYS HB3 1 1
2 136 1 1 2 CYS N N 2.177 2.272 -1.397 1.00 . A A . 2 CYS N 1 1
2 137 1 1 2 CYS O O 4.165 4.660 -1.996 1.00 . A A . 2 CYS O 1 1
2 138 1 1 2 CYS SG S 1.516 6.323 -1.570 1.00 . A A . 2 CYS SG 1 1
2 139 1 1 3 VAL C C 4.973 5.627 -4.495 1.00 . A A . 3 VAL C 1 1
2 140 1 1 3 VAL CA C 4.677 4.142 -4.670 1.00 . A A . 3 VAL CA 1 1
2 141 1 1 3 VAL CB C 4.543 3.830 -6.172 1.00 . A A . 3 VAL CB 1 1
2 142 1 1 3 VAL CG1 C 5.817 4.207 -6.912 1.00 . A A . 3 VAL CG1 1 1
2 143 1 1 3 VAL CG2 C 4.209 2.361 -6.383 1.00 . A A . 3 VAL CG2 1 1
2 144 1 1 3 VAL H H 2.769 3.265 -4.406 1.00 . A A . 3 VAL H 1 1
2 145 1 1 3 VAL HA H 5.507 3.571 -4.278 1.00 . A A . 3 VAL HA 1 1
2 146 1 1 3 VAL HB H 3.733 4.422 -6.571 1.00 . A A . 3 VAL HB 1 1
2 147 1 1 3 VAL HG11 H 6.661 3.717 -6.448 1.00 . A A . 3 VAL HG11 1 1
2 148 1 1 3 VAL HG12 H 5.741 3.895 -7.944 1.00 . A A . 3 VAL HG12 1 1
2 149 1 1 3 VAL HG13 H 5.955 5.277 -6.869 1.00 . A A . 3 VAL HG13 1 1
2 150 1 1 3 VAL HG21 H 3.217 2.159 -6.008 1.00 . A A . 3 VAL HG21 1 1
2 151 1 1 3 VAL HG22 H 4.249 2.131 -7.438 1.00 . A A . 3 VAL HG22 1 1
2 152 1 1 3 VAL HG23 H 4.925 1.748 -5.854 1.00 . A A . 3 VAL HG23 1 1
2 153 1 1 3 VAL N N 3.478 3.754 -3.938 1.00 . A A . 3 VAL N 1 1
2 154 1 1 3 VAL O O 4.310 6.451 -5.123 1.00 . A A . 3 VAL O 1 1
2 155 1 1 4 . C C 6.859 7.451 -1.983 1.00 . A A . 4 DLE C 1 1
2 156 1 1 4 . CA C 6.320 7.317 -3.409 1.00 . A A . 4 DLE CA 1 1
2 157 1 1 4 . CB C 7.292 7.810 -4.483 1.00 . A A . 4 DLE CB 1 1
2 158 1 1 4 . CD1 C 5.993 9.238 -6.106 1.00 . A A . 4 DLE CD1 1 1
2 159 1 1 4 . CD2 C 8.363 9.873 -5.462 1.00 . A A . 4 DLE CD2 1 1
2 160 1 1 4 . CG C 7.053 9.229 -5.003 1.00 . A A . 4 DLE CG 1 1
2 161 1 1 4 . H H 6.484 5.257 -3.147 1.00 . A A . 4 DLE H 1 1
2 162 1 1 4 . HA H 5.414 7.917 -3.494 1.00 . A A . 4 DLE HA 1 1
2 163 1 1 4 . HB2 H 7.249 7.123 -5.328 1.00 . A A . 4 DLE HB2 1 1
2 164 1 1 4 . HB3 H 8.304 7.758 -4.081 1.00 . A A . 4 DLE HB3 1 1
2 165 1 1 4 . HD11 H 5.125 9.806 -5.771 1.00 . A A . 4 DLE HD11 1 1
2 166 1 1 4 . HD12 H 5.693 8.214 -6.329 1.00 . A A . 4 DLE HD12 1 1
2 167 1 1 4 . HD13 H 6.406 9.699 -7.003 1.00 . A A . 4 DLE HD13 1 1
2 168 1 1 4 . HD21 H 9.190 9.471 -4.876 1.00 . A A . 4 DLE HD21 1 1
2 169 1 1 4 . HD22 H 8.307 10.952 -5.319 1.00 . A A . 4 DLE HD22 1 1
2 170 1 1 4 . HD23 H 8.525 9.654 -6.517 1.00 . A A . 4 DLE HD23 1 1
2 171 1 1 4 . HG H 6.668 9.834 -4.182 1.00 . A A . 4 DLE HG 1 1
2 172 1 1 4 . N N 5.950 5.933 -3.655 1.00 . A A . 4 DLE N 1 1
2 173 1 1 4 . O O 7.629 8.355 -1.659 1.00 . A A . 4 DLE O 1 1
2 174 1 1 5 TYR C C 8.373 6.609 0.374 1.00 . A A . 5 TYR C 1 1
2 175 1 1 5 TYR CA C 6.854 6.516 0.263 1.00 . A A . 5 TYR CA 1 1
2 176 1 1 5 TYR CB C 6.358 5.248 0.960 1.00 . A A . 5 TYR CB 1 1
2 177 1 1 5 TYR CD1 C 4.127 6.307 1.488 1.00 . A A . 5 TYR CD1 1 1
2 178 1 1 5 TYR CD2 C 5.110 4.880 3.125 1.00 . A A . 5 TYR CD2 1 1
2 179 1 1 5 TYR CE1 C 3.046 6.525 2.321 1.00 . A A . 5 TYR CE1 1 1
2 180 1 1 5 TYR CE2 C 4.033 5.092 3.963 1.00 . A A . 5 TYR CE2 1 1
2 181 1 1 5 TYR CG C 5.177 5.483 1.875 1.00 . A A . 5 TYR CG 1 1
2 182 1 1 5 TYR CZ C 3.004 5.915 3.557 1.00 . A A . 5 TYR CZ 1 1
2 183 1 1 5 TYR H H 5.820 5.828 -1.451 1.00 . A A . 5 TYR H 1 1
2 184 1 1 5 TYR HA H 6.416 7.376 0.747 1.00 . A A . 5 TYR HA 1 1
2 185 1 1 5 TYR HB2 H 6.060 4.528 0.214 1.00 . A A . 5 TYR HB2 1 1
2 186 1 1 5 TYR HB3 H 7.160 4.834 1.554 1.00 . A A . 5 TYR HB3 1 1
2 187 1 1 5 TYR HD1 H 4.163 6.783 0.519 1.00 . A A . 5 TYR HD1 1 1
2 188 1 1 5 TYR HD2 H 5.918 4.236 3.440 1.00 . A A . 5 TYR HD2 1 1
2 189 1 1 5 TYR HE1 H 2.240 7.170 2.003 1.00 . A A . 5 TYR HE1 1 1
2 190 1 1 5 TYR HE2 H 3.999 4.614 4.932 1.00 . A A . 5 TYR HE2 1 1
2 191 1 1 5 TYR HH H 1.826 5.378 4.978 1.00 . A A . 5 TYR HH 1 1
2 192 1 1 5 TYR N N 6.433 6.524 -1.133 1.00 . A A . 5 TYR N 1 1
2 193 1 1 5 TYR O O 9.109 6.325 -0.571 1.00 . A A . 5 TYR O 1 1
2 194 1 1 5 TYR OH O 1.929 6.129 4.389 1.00 . A A . 5 TYR OH 1 1
2 195 1 1 6 PRO C C 7.206 8.646 2.453 1.00 . A A . 6 PRO C 1 1
2 196 1 1 6 PRO CA C 7.988 7.359 2.690 1.00 . A A . 6 PRO CA 1 1
2 197 1 1 6 PRO CB C 8.972 7.535 3.849 1.00 . A A . 6 PRO CB 1 1
2 198 1 1 6 PRO CD C 10.282 7.176 1.882 1.00 . A A . 6 PRO CD 1 1
2 199 1 1 6 PRO CG C 10.261 7.902 3.199 1.00 . A A . 6 PRO CG 1 1
2 200 1 1 6 PRO HA H 7.300 6.558 2.918 1.00 . A A . 6 PRO HA 1 1
2 201 1 1 6 PRO HB2 H 8.621 8.320 4.505 1.00 . A A . 6 PRO HB2 1 1
2 202 1 1 6 PRO HB3 H 9.056 6.610 4.399 1.00 . A A . 6 PRO HB3 1 1
2 203 1 1 6 PRO HD2 H 10.784 7.770 1.133 1.00 . A A . 6 PRO HD2 1 1
2 204 1 1 6 PRO HD3 H 10.762 6.215 1.989 1.00 . A A . 6 PRO HD3 1 1
2 205 1 1 6 PRO HG2 H 10.302 8.969 3.041 1.00 . A A . 6 PRO HG2 1 1
2 206 1 1 6 PRO HG3 H 11.087 7.581 3.817 1.00 . A A . 6 PRO HG3 1 1
2 207 1 1 6 PRO N N 8.855 7.017 1.558 1.00 . A A . 6 PRO N 1 1
2 208 1 1 6 PRO O O 6.259 8.950 3.178 1.00 . A A . 6 PRO O 1 1
2 209 1 1 7 TRP C C 5.994 10.472 -0.074 1.00 . A A . 7 TRP C 1 1
2 210 1 1 7 TRP CA C 6.945 10.654 1.104 1.00 . A A . 7 TRP CA 1 1
2 211 1 1 7 TRP CB C 7.980 11.732 0.778 1.00 . A A . 7 TRP CB 1 1
2 212 1 1 7 TRP CD1 C 7.993 14.183 1.526 1.00 . A A . 7 TRP CD1 1 1
2 213 1 1 7 TRP CD2 C 8.094 12.706 3.207 1.00 . A A . 7 TRP CD2 1 1
2 214 1 1 7 TRP CE2 C 8.108 14.006 3.750 1.00 . A A . 7 TRP CE2 1 1
2 215 1 1 7 TRP CE3 C 8.148 11.613 4.076 1.00 . A A . 7 TRP CE3 1 1
2 216 1 1 7 TRP CG C 8.019 12.842 1.784 1.00 . A A . 7 TRP CG 1 1
2 217 1 1 7 TRP CH2 C 8.228 13.151 5.948 1.00 . A A . 7 TRP CH2 1 1
2 218 1 1 7 TRP CZ2 C 8.176 14.240 5.120 1.00 . A A . 7 TRP CZ2 1 1
2 219 1 1 7 TRP CZ3 C 8.216 11.847 5.437 1.00 . A A . 7 TRP CZ3 1 1
2 220 1 1 7 TRP H H 8.370 9.103 0.894 1.00 . A A . 7 TRP H 1 1
2 221 1 1 7 TRP HA H 6.375 10.965 1.967 1.00 . A A . 7 TRP HA 1 1
2 222 1 1 7 TRP HB2 H 8.961 11.281 0.741 1.00 . A A . 7 TRP HB2 1 1
2 223 1 1 7 TRP HB3 H 7.749 12.162 -0.186 1.00 . A A . 7 TRP HB3 1 1
2 224 1 1 7 TRP HD1 H 7.939 14.611 0.537 1.00 . A A . 7 TRP HD1 1 1
2 225 1 1 7 TRP HE1 H 8.040 15.866 2.782 1.00 . A A . 7 TRP HE1 1 1
2 226 1 1 7 TRP HE3 H 8.140 10.600 3.701 1.00 . A A . 7 TRP HE3 1 1
2 227 1 1 7 TRP HH2 H 8.282 13.286 7.017 1.00 . A A . 7 TRP HH2 1 1
2 228 1 1 7 TRP HZ2 H 8.186 15.239 5.530 1.00 . A A . 7 TRP HZ2 1 1
2 229 1 1 7 TRP HZ3 H 8.259 11.014 6.124 1.00 . A A . 7 TRP HZ3 1 1
2 230 1 1 7 TRP N N 7.609 9.398 1.436 1.00 . A A . 7 TRP N 1 1
2 231 1 1 7 TRP NE1 N 8.047 14.889 2.704 1.00 . A A . 7 TRP NE1 1 1
2 232 1 1 7 TRP O O 6.382 10.643 -1.230 1.00 . A A . 7 TRP O 1 1
2 233 1 1 8 CYS C C 3.068 11.238 -1.182 1.00 . A A . 8 CYS C 1 1
2 234 1 1 8 CYS CA C 3.740 9.920 -0.808 1.00 . A A . 8 CYS CA 1 1
2 235 1 1 8 CYS CB C 2.688 8.916 -0.333 1.00 . A A . 8 CYS CB 1 1
2 236 1 1 8 CYS H H 4.497 10.004 1.167 1.00 . A A . 8 CYS H 1 1
2 237 1 1 8 CYS HA H 4.236 9.523 -1.680 1.00 . A A . 8 CYS HA 1 1
2 238 1 1 8 CYS HB2 H 3.012 8.482 0.602 1.00 . A A . 8 CYS HB2 1 1
2 239 1 1 8 CYS HB3 H 1.752 9.432 -0.178 1.00 . A A . 8 CYS HB3 1 1
2 240 1 1 8 CYS N N 4.747 10.125 0.226 1.00 . A A . 8 CYS N 1 1
2 241 1 1 8 CYS O O 2.730 12.042 -0.313 1.00 . A A . 8 CYS O 1 1
2 242 1 1 8 CYS SG S 2.383 7.551 -1.499 1.00 . A A . 8 CYS SG 1 1
3 243 1 1 1 GLY C C 1.723 1.226 -1.864 1.00 . A A . 1 GLY C 1 1
3 244 1 1 1 GLY CA C 1.898 -0.061 -1.083 1.00 . A A . 1 GLY CA 1 1
3 245 1 1 1 GLY H1 H 0.167 -0.826 -2.032 1.00 . A A . 1 GLY H1 1 1
3 246 1 1 1 GLY HA2 H 1.828 0.158 -0.028 1.00 . A A . 1 GLY HA2 1 1
3 247 1 1 1 GLY HA3 H 2.878 -0.465 -1.292 1.00 . A A . 1 GLY HA3 1 1
3 248 1 1 1 GLY N N 0.899 -1.057 -1.423 1.00 . A A . 1 GLY N 1 1
3 249 1 1 1 GLY O O 1.366 1.203 -3.042 1.00 . A A . 1 GLY O 1 1
3 250 1 1 2 CYS C C 3.144 4.071 -2.517 1.00 . A A . 2 CYS C 1 1
3 251 1 1 2 CYS CA C 1.838 3.658 -1.845 1.00 . A A . 2 CYS CA 1 1
3 252 1 1 2 CYS CB C 1.425 4.712 -0.816 1.00 . A A . 2 CYS CB 1 1
3 253 1 1 2 CYS H H 2.254 2.308 -0.268 1.00 . A A . 2 CYS H 1 1
3 254 1 1 2 CYS HA H 1.068 3.581 -2.598 1.00 . A A . 2 CYS HA 1 1
3 255 1 1 2 CYS HB2 H 0.427 4.490 -0.465 1.00 . A A . 2 CYS HB2 1 1
3 256 1 1 2 CYS HB3 H 2.110 4.679 0.018 1.00 . A A . 2 CYS HB3 1 1
3 257 1 1 2 CYS N N 1.972 2.354 -1.206 1.00 . A A . 2 CYS N 1 1
3 258 1 1 2 CYS O O 4.015 4.674 -1.889 1.00 . A A . 2 CYS O 1 1
3 259 1 1 2 CYS SG S 1.417 6.416 -1.461 1.00 . A A . 2 CYS SG 1 1
3 260 1 1 3 VAL C C 4.809 5.561 -4.421 1.00 . A A . 3 VAL C 1 1
3 261 1 1 3 VAL CA C 4.471 4.081 -4.558 1.00 . A A . 3 VAL CA 1 1
3 262 1 1 3 VAL CB C 4.305 3.739 -6.050 1.00 . A A . 3 VAL CB 1 1
3 263 1 1 3 VAL CG1 C 5.573 4.076 -6.820 1.00 . A A . 3 VAL CG1 1 1
3 264 1 1 3 VAL CG2 C 3.940 2.273 -6.223 1.00 . A A . 3 VAL CG2 1 1
3 265 1 1 3 VAL H H 2.544 3.263 -4.245 1.00 . A A . 3 VAL H 1 1
3 266 1 1 3 VAL HA H 5.291 3.497 -4.165 1.00 . A A . 3 VAL HA 1 1
3 267 1 1 3 VAL HB H 3.499 4.339 -6.449 1.00 . A A . 3 VAL HB 1 1
3 268 1 1 3 VAL HG11 H 5.608 3.493 -7.728 1.00 . A A . 3 VAL HG11 1 1
3 269 1 1 3 VAL HG12 H 5.578 5.128 -7.065 1.00 . A A . 3 VAL HG12 1 1
3 270 1 1 3 VAL HG13 H 6.435 3.844 -6.211 1.00 . A A . 3 VAL HG13 1 1
3 271 1 1 3 VAL HG21 H 3.962 1.780 -5.263 1.00 . A A . 3 VAL HG21 1 1
3 272 1 1 3 VAL HG22 H 2.949 2.197 -6.645 1.00 . A A . 3 VAL HG22 1 1
3 273 1 1 3 VAL HG23 H 4.650 1.800 -6.886 1.00 . A A . 3 VAL HG23 1 1
3 274 1 1 3 VAL N N 3.273 3.743 -3.799 1.00 . A A . 3 VAL N 1 1
3 275 1 1 3 VAL O O 4.158 6.389 -5.058 1.00 . A A . 3 VAL O 1 1
3 276 1 1 4 . C C 6.782 7.390 -1.981 1.00 . A A . 4 DLE C 1 1
3 277 1 1 4 . CA C 6.218 7.238 -3.395 1.00 . A A . 4 DLE CA 1 1
3 278 1 1 4 . CB C 7.185 7.681 -4.494 1.00 . A A . 4 DLE CB 1 1
3 279 1 1 4 . CD1 C 7.672 9.153 -6.483 1.00 . A A . 4 DLE CD1 1 1
3 280 1 1 4 . CD2 C 6.946 10.183 -4.282 1.00 . A A . 4 DLE CD2 1 1
3 281 1 1 4 . CG C 6.827 8.980 -5.220 1.00 . A A . 4 DLE CG 1 1
3 282 1 1 4 . H H 6.331 5.181 -3.089 1.00 . A A . 4 DLE H 1 1
3 283 1 1 4 . HA H 5.327 7.861 -3.480 1.00 . A A . 4 DLE HA 1 1
3 284 1 1 4 . HB2 H 7.254 6.883 -5.233 1.00 . A A . 4 DLE HB2 1 1
3 285 1 1 4 . HB3 H 8.176 7.795 -4.055 1.00 . A A . 4 DLE HB3 1 1
3 286 1 1 4 . HD11 H 7.610 8.248 -7.088 1.00 . A A . 4 DLE HD11 1 1
3 287 1 1 4 . HD12 H 8.710 9.333 -6.204 1.00 . A A . 4 DLE HD12 1 1
3 288 1 1 4 . HD13 H 7.297 10.000 -7.058 1.00 . A A . 4 DLE HD13 1 1
3 289 1 1 4 . HD21 H 5.976 10.386 -3.827 1.00 . A A . 4 DLE HD21 1 1
3 290 1 1 4 . HD22 H 7.272 11.055 -4.848 1.00 . A A . 4 DLE HD22 1 1
3 291 1 1 4 . HD23 H 7.674 9.964 -3.501 1.00 . A A . 4 DLE HD23 1 1
3 292 1 1 4 . HG H 5.785 8.919 -5.535 1.00 . A A . 4 DLE HG 1 1
3 293 1 1 4 . N N 5.807 5.860 -3.603 1.00 . A A . 4 DLE N 1 1
3 294 1 1 4 . O O 7.581 8.280 -1.689 1.00 . A A . 4 DLE O 1 1
3 295 1 1 5 TYR C C 8.312 6.560 0.371 1.00 . A A . 5 TYR C 1 1
3 296 1 1 5 TYR CA C 6.789 6.505 0.286 1.00 . A A . 5 TYR CA 1 1
3 297 1 1 5 TYR CB C 6.270 5.268 1.019 1.00 . A A . 5 TYR CB 1 1
3 298 1 1 5 TYR CD1 C 4.078 6.399 1.558 1.00 . A A . 5 TYR CD1 1 1
3 299 1 1 5 TYR CD2 C 5.049 4.983 3.211 1.00 . A A . 5 TYR CD2 1 1
3 300 1 1 5 TYR CE1 C 3.017 6.665 2.402 1.00 . A A . 5 TYR CE1 1 1
3 301 1 1 5 TYR CE2 C 3.991 5.242 4.062 1.00 . A A . 5 TYR CE2 1 1
3 302 1 1 5 TYR CG C 5.111 5.556 1.947 1.00 . A A . 5 TYR CG 1 1
3 303 1 1 5 TYR CZ C 2.978 6.085 3.653 1.00 . A A . 5 TYR CZ 1 1
3 304 1 1 5 TYR H H 5.710 5.808 -1.396 1.00 . A A . 5 TYR H 1 1
3 305 1 1 5 TYR HA H 6.382 7.388 0.756 1.00 . A A . 5 TYR HA 1 1
3 306 1 1 5 TYR HB2 H 5.941 4.540 0.294 1.00 . A A . 5 TYR HB2 1 1
3 307 1 1 5 TYR HB3 H 7.070 4.845 1.609 1.00 . A A . 5 TYR HB3 1 1
3 308 1 1 5 TYR HD1 H 4.111 6.852 0.578 1.00 . A A . 5 TYR HD1 1 1
3 309 1 1 5 TYR HD2 H 5.844 4.324 3.528 1.00 . A A . 5 TYR HD2 1 1
3 310 1 1 5 TYR HE1 H 2.224 7.324 2.082 1.00 . A A . 5 TYR HE1 1 1
3 311 1 1 5 TYR HE2 H 3.961 4.788 5.041 1.00 . A A . 5 TYR HE2 1 1
3 312 1 1 5 TYR HH H 2.159 6.093 5.392 1.00 . A A . 5 TYR HH 1 1
3 313 1 1 5 TYR N N 6.346 6.493 -1.103 1.00 . A A . 5 TYR N 1 1
3 314 1 1 5 TYR O O 9.025 6.234 -0.578 1.00 . A A . 5 TYR O 1 1
3 315 1 1 5 TYR OH O 1.923 6.346 4.496 1.00 . A A . 5 TYR OH 1 1
3 316 1 1 6 PRO C C 7.234 8.674 2.421 1.00 . A A . 6 PRO C 1 1
3 317 1 1 6 PRO CA C 7.984 7.371 2.675 1.00 . A A . 6 PRO CA 1 1
3 318 1 1 6 PRO CB C 8.990 7.547 3.814 1.00 . A A . 6 PRO CB 1 1
3 319 1 1 6 PRO CD C 10.259 7.109 1.837 1.00 . A A . 6 PRO CD 1 1
3 320 1 1 6 PRO CG C 10.279 7.864 3.137 1.00 . A A . 6 PRO CG 1 1
3 321 1 1 6 PRO HA H 7.278 6.595 2.932 1.00 . A A . 6 PRO HA 1 1
3 322 1 1 6 PRO HB2 H 8.672 8.356 4.458 1.00 . A A . 6 PRO HB2 1 1
3 323 1 1 6 PRO HB3 H 9.058 6.633 4.384 1.00 . A A . 6 PRO HB3 1 1
3 324 1 1 6 PRO HD2 H 10.765 7.671 1.066 1.00 . A A . 6 PRO HD2 1 1
3 325 1 1 6 PRO HD3 H 10.715 6.137 1.958 1.00 . A A . 6 PRO HD3 1 1
3 326 1 1 6 PRO HG2 H 10.346 8.925 2.953 1.00 . A A . 6 PRO HG2 1 1
3 327 1 1 6 PRO HG3 H 11.105 7.534 3.748 1.00 . A A . 6 PRO HG3 1 1
3 328 1 1 6 PRO N N 8.823 6.981 1.538 1.00 . A A . 6 PRO N 1 1
3 329 1 1 6 PRO O O 6.307 9.021 3.154 1.00 . A A . 6 PRO O 1 1
3 330 1 1 7 TRP C C 6.030 10.475 -0.130 1.00 . A A . 7 TRP C 1 1
3 331 1 1 7 TRP CA C 7.004 10.657 1.029 1.00 . A A . 7 TRP CA 1 1
3 332 1 1 7 TRP CB C 8.063 11.699 0.663 1.00 . A A . 7 TRP CB 1 1
3 333 1 1 7 TRP CD1 C 8.152 14.165 1.354 1.00 . A A . 7 TRP CD1 1 1
3 334 1 1 7 TRP CD2 C 8.240 12.725 3.067 1.00 . A A . 7 TRP CD2 1 1
3 335 1 1 7 TRP CE2 C 8.297 14.036 3.579 1.00 . A A . 7 TRP CE2 1 1
3 336 1 1 7 TRP CE3 C 8.279 11.651 3.961 1.00 . A A . 7 TRP CE3 1 1
3 337 1 1 7 TRP CG C 8.147 12.830 1.642 1.00 . A A . 7 TRP CG 1 1
3 338 1 1 7 TRP CH2 C 8.429 13.229 5.795 1.00 . A A . 7 TRP CH2 1 1
3 339 1 1 7 TRP CZ2 C 8.392 14.299 4.943 1.00 . A A . 7 TRP CZ2 1 1
3 340 1 1 7 TRP CZ3 C 8.374 11.914 5.314 1.00 . A A . 7 TRP CZ3 1 1
3 341 1 1 7 TRP H H 8.384 9.063 0.833 1.00 . A A . 7 TRP H 1 1
3 342 1 1 7 TRP HA H 6.456 11.003 1.894 1.00 . A A . 7 TRP HA 1 1
3 343 1 1 7 TRP HB2 H 9.030 11.221 0.622 1.00 . A A . 7 TRP HB2 1 1
3 344 1 1 7 TRP HB3 H 7.829 12.113 -0.307 1.00 . A A . 7 TRP HB3 1 1
3 345 1 1 7 TRP HD1 H 8.095 14.571 0.356 1.00 . A A . 7 TRP HD1 1 1
3 346 1 1 7 TRP HE1 H 8.263 15.875 2.569 1.00 . A A . 7 TRP HE1 1 1
3 347 1 1 7 TRP HE3 H 8.238 10.630 3.609 1.00 . A A . 7 TRP HE3 1 1
3 348 1 1 7 TRP HH2 H 8.502 13.387 6.859 1.00 . A A . 7 TRP HH2 1 1
3 349 1 1 7 TRP HZ2 H 8.435 15.307 5.329 1.00 . A A . 7 TRP HZ2 1 1
3 350 1 1 7 TRP HZ3 H 8.405 11.096 6.020 1.00 . A A . 7 TRP HZ3 1 1
3 351 1 1 7 TRP N N 7.639 9.392 1.379 1.00 . A A . 7 TRP N 1 1
3 352 1 1 7 TRP NE1 N 8.243 14.896 2.514 1.00 . A A . 7 TRP NE1 1 1
3 353 1 1 7 TRP O O 6.404 10.609 -1.295 1.00 . A A . 7 TRP O 1 1
3 354 1 1 8 CYS C C 3.107 11.296 -1.209 1.00 . A A . 8 CYS C 1 1
3 355 1 1 8 CYS CA C 3.750 9.969 -0.816 1.00 . A A . 8 CYS CA 1 1
3 356 1 1 8 CYS CB C 2.681 9.003 -0.303 1.00 . A A . 8 CYS CB 1 1
3 357 1 1 8 CYS H H 4.541 10.076 1.144 1.00 . A A . 8 CYS H 1 1
3 358 1 1 8 CYS HA H 4.222 9.540 -1.687 1.00 . A A . 8 CYS HA 1 1
3 359 1 1 8 CYS HB2 H 3.008 8.582 0.637 1.00 . A A . 8 CYS HB2 1 1
3 360 1 1 8 CYS HB3 H 1.761 9.547 -0.147 1.00 . A A . 8 CYS HB3 1 1
3 361 1 1 8 CYS N N 4.779 10.169 0.197 1.00 . A A . 8 CYS N 1 1
3 362 1 1 8 CYS O O 2.409 11.918 -0.409 1.00 . A A . 8 CYS O 1 1
3 363 1 1 8 CYS SG S 2.323 7.620 -1.434 1.00 . A A . 8 CYS SG 1 1
4 364 1 1 1 GLY C C 2.945 2.143 -0.697 1.00 . A A . 1 GLY C 1 1
4 365 1 1 1 GLY CA C 3.089 0.699 -0.258 1.00 . A A . 1 GLY CA 1 1
4 366 1 1 1 GLY H1 H 1.159 0.241 0.484 1.00 . A A . 1 GLY H1 1 1
4 367 1 1 1 GLY HA2 H 3.540 0.675 0.723 1.00 . A A . 1 GLY HA2 1 1
4 368 1 1 1 GLY HA3 H 3.736 0.186 -0.954 1.00 . A A . 1 GLY HA3 1 1
4 369 1 1 1 GLY N N 1.815 0.005 -0.205 1.00 . A A . 1 GLY N 1 1
4 370 1 1 1 GLY O O 3.725 3.004 -0.289 1.00 . A A . 1 GLY O 1 1
4 371 1 1 2 CYS C C 2.938 4.307 -2.738 1.00 . A A . 2 CYS C 1 1
4 372 1 1 2 CYS CA C 1.703 3.758 -2.029 1.00 . A A . 2 CYS CA 1 1
4 373 1 1 2 CYS CB C 1.308 4.685 -0.877 1.00 . A A . 2 CYS CB 1 1
4 374 1 1 2 CYS H H 1.357 1.680 -1.821 1.00 . A A . 2 CYS H 1 1
4 375 1 1 2 CYS HA H 0.889 3.709 -2.735 1.00 . A A . 2 CYS HA 1 1
4 376 1 1 2 CYS HB2 H 0.349 4.375 -0.488 1.00 . A A . 2 CYS HB2 1 1
4 377 1 1 2 CYS HB3 H 2.049 4.610 -0.095 1.00 . A A . 2 CYS HB3 1 1
4 378 1 1 2 CYS N N 1.946 2.409 -1.531 1.00 . A A . 2 CYS N 1 1
4 379 1 1 2 CYS O O 3.818 4.895 -2.109 1.00 . A A . 2 CYS O 1 1
4 380 1 1 2 CYS SG S 1.172 6.439 -1.348 1.00 . A A . 2 CYS SG 1 1
4 381 1 1 3 VAL C C 4.392 6.063 -4.586 1.00 . A A . 3 VAL C 1 1
4 382 1 1 3 VAL CA C 4.120 4.586 -4.847 1.00 . A A . 3 VAL CA 1 1
4 383 1 1 3 VAL CB C 3.871 4.379 -6.353 1.00 . A A . 3 VAL CB 1 1
4 384 1 1 3 VAL CG1 C 5.087 4.807 -7.160 1.00 . A A . 3 VAL CG1 1 1
4 385 1 1 3 VAL CG2 C 3.515 2.928 -6.638 1.00 . A A . 3 VAL CG2 1 1
4 386 1 1 3 VAL H H 2.263 3.634 -4.496 1.00 . A A . 3 VAL H 1 1
4 387 1 1 3 VAL HA H 4.993 4.015 -4.566 1.00 . A A . 3 VAL HA 1 1
4 388 1 1 3 VAL HB H 3.035 4.997 -6.647 1.00 . A A . 3 VAL HB 1 1
4 389 1 1 3 VAL HG11 H 5.982 4.428 -6.690 1.00 . A A . 3 VAL HG11 1 1
4 390 1 1 3 VAL HG12 H 5.010 4.414 -8.163 1.00 . A A . 3 VAL HG12 1 1
4 391 1 1 3 VAL HG13 H 5.131 5.886 -7.198 1.00 . A A . 3 VAL HG13 1 1
4 392 1 1 3 VAL HG21 H 4.064 2.283 -5.968 1.00 . A A . 3 VAL HG21 1 1
4 393 1 1 3 VAL HG22 H 2.455 2.782 -6.492 1.00 . A A . 3 VAL HG22 1 1
4 394 1 1 3 VAL HG23 H 3.773 2.688 -7.660 1.00 . A A . 3 VAL HG23 1 1
4 395 1 1 3 VAL N N 2.995 4.110 -4.051 1.00 . A A . 3 VAL N 1 1
4 396 1 1 3 VAL O O 3.659 6.910 -5.097 1.00 . A A . 3 VAL O 1 1
4 397 1 1 4 . C C 6.432 7.760 -2.107 1.00 . A A . 4 DLE C 1 1
4 398 1 1 4 . CA C 5.781 7.712 -3.490 1.00 . A A . 4 DLE CA 1 1
4 399 1 1 4 . CB C 6.648 8.311 -4.599 1.00 . A A . 4 DLE CB 1 1
4 400 1 1 4 . CD1 C 9.125 8.201 -4.138 1.00 . A A . 4 DLE CD1 1 1
4 401 1 1 4 . CD2 C 8.218 7.517 -6.406 1.00 . A A . 4 DLE CD2 1 1
4 402 1 1 4 . CG C 7.955 7.575 -4.900 1.00 . A A . 4 DLE CG 1 1
4 403 1 1 4 . H H 6.018 5.645 -3.396 1.00 . A A . 4 DLE H 1 1
4 404 1 1 4 . HA H 4.856 8.288 -3.458 1.00 . A A . 4 DLE HA 1 1
4 405 1 1 4 . HB2 H 6.888 9.340 -4.330 1.00 . A A . 4 DLE HB2 1 1
4 406 1 1 4 . HB3 H 6.057 8.351 -5.514 1.00 . A A . 4 DLE HB3 1 1
4 407 1 1 4 . HD11 H 8.758 9.018 -3.517 1.00 . A A . 4 DLE HD11 1 1
4 408 1 1 4 . HD12 H 9.857 8.586 -4.849 1.00 . A A . 4 DLE HD12 1 1
4 409 1 1 4 . HD13 H 9.593 7.446 -3.507 1.00 . A A . 4 DLE HD13 1 1
4 410 1 1 4 . HD21 H 8.050 6.502 -6.766 1.00 . A A . 4 DLE HD21 1 1
4 411 1 1 4 . HD22 H 9.249 7.808 -6.607 1.00 . A A . 4 DLE HD22 1 1
4 412 1 1 4 . HD23 H 7.541 8.201 -6.920 1.00 . A A . 4 DLE HD23 1 1
4 413 1 1 4 . HG H 7.857 6.547 -4.551 1.00 . A A . 4 DLE HG 1 1
4 414 1 1 4 . N N 5.427 6.339 -3.807 1.00 . A A . 4 DLE N 1 1
4 415 1 1 4 . O O 7.203 8.663 -1.779 1.00 . A A . 4 DLE O 1 1
4 416 1 1 5 TYR C C 8.157 6.799 0.053 1.00 . A A . 5 TYR C 1 1
4 417 1 1 5 TYR CA C 6.637 6.666 0.057 1.00 . A A . 5 TYR CA 1 1
4 418 1 1 5 TYR CB C 6.232 5.337 0.696 1.00 . A A . 5 TYR CB 1 1
4 419 1 1 5 TYR CD1 C 4.025 6.284 1.477 1.00 . A A . 5 TYR CD1 1 1
4 420 1 1 5 TYR CD2 C 5.179 4.780 2.923 1.00 . A A . 5 TYR CD2 1 1
4 421 1 1 5 TYR CE1 C 3.011 6.408 2.408 1.00 . A A . 5 TYR CE1 1 1
4 422 1 1 5 TYR CE2 C 4.169 4.897 3.858 1.00 . A A . 5 TYR CE2 1 1
4 423 1 1 5 TYR CG C 5.125 5.469 1.718 1.00 . A A . 5 TYR CG 1 1
4 424 1 1 5 TYR CZ C 3.088 5.712 3.596 1.00 . A A . 5 TYR CZ 1 1
4 425 1 1 5 TYR H H 5.483 6.072 -1.614 1.00 . A A . 5 TYR H 1 1
4 426 1 1 5 TYR HA H 6.218 7.476 0.637 1.00 . A A . 5 TYR HA 1 1
4 427 1 1 5 TYR HB2 H 5.892 4.663 -0.075 1.00 . A A . 5 TYR HB2 1 1
4 428 1 1 5 TYR HB3 H 7.090 4.907 1.191 1.00 . A A . 5 TYR HB3 1 1
4 429 1 1 5 TYR HD1 H 3.968 6.827 0.546 1.00 . A A . 5 TYR HD1 1 1
4 430 1 1 5 TYR HD2 H 6.027 4.142 3.125 1.00 . A A . 5 TYR HD2 1 1
4 431 1 1 5 TYR HE1 H 2.164 7.046 2.203 1.00 . A A . 5 TYR HE1 1 1
4 432 1 1 5 TYR HE2 H 4.229 4.352 4.789 1.00 . A A . 5 TYR HE2 1 1
4 433 1 1 5 TYR HH H 2.438 5.689 5.406 1.00 . A A . 5 TYR HH 1 1
4 434 1 1 5 TYR N N 6.102 6.761 -1.296 1.00 . A A . 5 TYR N 1 1
4 435 1 1 5 TYR O O 8.820 6.607 -0.967 1.00 . A A . 5 TYR O 1 1
4 436 1 1 5 TYR OH O 2.080 5.832 4.526 1.00 . A A . 5 TYR OH 1 1
4 437 1 1 6 PRO C C 7.114 8.644 2.364 1.00 . A A . 6 PRO C 1 1
4 438 1 1 6 PRO CA C 7.945 7.368 2.441 1.00 . A A . 6 PRO CA 1 1
4 439 1 1 6 PRO CB C 9.016 7.491 3.527 1.00 . A A . 6 PRO CB 1 1
4 440 1 1 6 PRO CD C 10.169 7.316 1.440 1.00 . A A . 6 PRO CD 1 1
4 441 1 1 6 PRO CG C 10.238 7.944 2.805 1.00 . A A . 6 PRO CG 1 1
4 442 1 1 6 PRO HA H 7.299 6.531 2.664 1.00 . A A . 6 PRO HA 1 1
4 443 1 1 6 PRO HB2 H 8.702 8.215 4.265 1.00 . A A . 6 PRO HB2 1 1
4 444 1 1 6 PRO HB3 H 9.169 6.532 3.998 1.00 . A A . 6 PRO HB3 1 1
4 445 1 1 6 PRO HD2 H 10.592 7.977 0.698 1.00 . A A . 6 PRO HD2 1 1
4 446 1 1 6 PRO HD3 H 10.680 6.364 1.436 1.00 . A A . 6 PRO HD3 1 1
4 447 1 1 6 PRO HG2 H 10.239 9.020 2.723 1.00 . A A . 6 PRO HG2 1 1
4 448 1 1 6 PRO HG3 H 11.120 7.605 3.328 1.00 . A A . 6 PRO HG3 1 1
4 449 1 1 6 PRO N N 8.724 7.135 1.221 1.00 . A A . 6 PRO N 1 1
4 450 1 1 6 PRO O O 6.223 8.865 3.184 1.00 . A A . 6 PRO O 1 1
4 451 1 1 7 TRP C C 5.651 10.608 0.085 1.00 . A A . 7 TRP C 1 1
4 452 1 1 7 TRP CA C 6.691 10.734 1.192 1.00 . A A . 7 TRP CA 1 1
4 453 1 1 7 TRP CB C 7.669 11.864 0.865 1.00 . A A . 7 TRP CB 1 1
4 454 1 1 7 TRP CD1 C 7.681 14.254 1.789 1.00 . A A . 7 TRP CD1 1 1
4 455 1 1 7 TRP CD2 C 7.959 12.665 3.343 1.00 . A A . 7 TRP CD2 1 1
4 456 1 1 7 TRP CE2 C 7.985 13.922 3.977 1.00 . A A . 7 TRP CE2 1 1
4 457 1 1 7 TRP CE3 C 8.112 11.514 4.121 1.00 . A A . 7 TRP CE3 1 1
4 458 1 1 7 TRP CG C 7.763 12.900 1.944 1.00 . A A . 7 TRP CG 1 1
4 459 1 1 7 TRP CH2 C 8.308 12.916 6.089 1.00 . A A . 7 TRP CH2 1 1
4 460 1 1 7 TRP CZ2 C 8.160 14.059 5.351 1.00 . A A . 7 TRP CZ2 1 1
4 461 1 1 7 TRP CZ3 C 8.286 11.652 5.485 1.00 . A A . 7 TRP CZ3 1 1
4 462 1 1 7 TRP H H 8.134 9.247 0.754 1.00 . A A . 7 TRP H 1 1
4 463 1 1 7 TRP HA H 6.187 10.964 2.120 1.00 . A A . 7 TRP HA 1 1
4 464 1 1 7 TRP HB2 H 8.654 11.448 0.715 1.00 . A A . 7 TRP HB2 1 1
4 465 1 1 7 TRP HB3 H 7.348 12.355 -0.043 1.00 . A A . 7 TRP HB3 1 1
4 466 1 1 7 TRP HD1 H 7.535 14.750 0.842 1.00 . A A . 7 TRP HD1 1 1
4 467 1 1 7 TRP HE1 H 7.790 15.844 3.158 1.00 . A A . 7 TRP HE1 1 1
4 468 1 1 7 TRP HE3 H 8.098 10.531 3.674 1.00 . A A . 7 TRP HE3 1 1
4 469 1 1 7 TRP HH2 H 8.446 12.975 7.158 1.00 . A A . 7 TRP HH2 1 1
4 470 1 1 7 TRP HZ2 H 8.178 15.026 5.832 1.00 . A A . 7 TRP HZ2 1 1
4 471 1 1 7 TRP HZ3 H 8.407 10.774 6.103 1.00 . A A . 7 TRP HZ3 1 1
4 472 1 1 7 TRP N N 7.412 9.479 1.376 1.00 . A A . 7 TRP N 1 1
4 473 1 1 7 TRP NE1 N 7.815 14.875 3.008 1.00 . A A . 7 TRP NE1 1 1
4 474 1 1 7 TRP O O 5.937 10.873 -1.083 1.00 . A A . 7 TRP O 1 1
4 475 1 1 8 CYS C C 2.626 11.359 -0.724 1.00 . A A . 8 CYS C 1 1
4 476 1 1 8 CYS CA C 3.359 10.039 -0.503 1.00 . A A . 8 CYS CA 1 1
4 477 1 1 8 CYS CB C 2.375 8.972 -0.020 1.00 . A A . 8 CYS CB 1 1
4 478 1 1 8 CYS H H 4.275 10.004 1.405 1.00 . A A . 8 CYS H 1 1
4 479 1 1 8 CYS HA H 3.791 9.721 -1.440 1.00 . A A . 8 CYS HA 1 1
4 480 1 1 8 CYS HB2 H 2.787 8.481 0.850 1.00 . A A . 8 CYS HB2 1 1
4 481 1 1 8 CYS HB3 H 1.443 9.447 0.249 1.00 . A A . 8 CYS HB3 1 1
4 482 1 1 8 CYS N N 4.442 10.201 0.458 1.00 . A A . 8 CYS N 1 1
4 483 1 1 8 CYS O O 1.605 11.406 -1.411 1.00 . A A . 8 CYS O 1 1
4 484 1 1 8 CYS SG S 2.006 7.686 -1.256 1.00 . A A . 8 CYS SG 1 1
5 485 1 1 1 GLY C C 1.373 1.274 -1.707 1.00 . A A . 1 GLY C 1 1
5 486 1 1 1 GLY CA C 1.626 -0.033 -0.981 1.00 . A A . 1 GLY CA 1 1
5 487 1 1 1 GLY H1 H 0.809 0.032 0.972 1.00 . A A . 1 GLY H1 1 1
5 488 1 1 1 GLY HA2 H 2.578 -0.430 -1.298 1.00 . A A . 1 GLY HA2 1 1
5 489 1 1 1 GLY HA3 H 0.848 -0.734 -1.246 1.00 . A A . 1 GLY HA3 1 1
5 490 1 1 1 GLY N N 1.640 0.128 0.461 1.00 . A A . 1 GLY N 1 1
5 491 1 1 1 GLY O O 0.536 1.341 -2.607 1.00 . A A . 1 GLY O 1 1
5 492 1 1 2 CYS C C 3.252 4.075 -2.586 1.00 . A A . 2 CYS C 1 1
5 493 1 1 2 CYS CA C 1.947 3.628 -1.932 1.00 . A A . 2 CYS CA 1 1
5 494 1 1 2 CYS CB C 1.507 4.658 -0.890 1.00 . A A . 2 CYS CB 1 1
5 495 1 1 2 CYS H H 2.750 2.201 -0.591 1.00 . A A . 2 CYS H 1 1
5 496 1 1 2 CYS HA H 1.185 3.552 -2.693 1.00 . A A . 2 CYS HA 1 1
5 497 1 1 2 CYS HB2 H 0.510 4.414 -0.552 1.00 . A A . 2 CYS HB2 1 1
5 498 1 1 2 CYS HB3 H 2.185 4.621 -0.050 1.00 . A A . 2 CYS HB3 1 1
5 499 1 1 2 CYS N N 2.097 2.316 -1.315 1.00 . A A . 2 CYS N 1 1
5 500 1 1 2 CYS O O 4.107 4.680 -1.940 1.00 . A A . 2 CYS O 1 1
5 501 1 1 2 CYS SG S 1.478 6.373 -1.505 1.00 . A A . 2 CYS SG 1 1
5 502 1 1 3 VAL C C 4.908 5.625 -4.449 1.00 . A A . 3 VAL C 1 1
5 503 1 1 3 VAL CA C 4.596 4.142 -4.614 1.00 . A A . 3 VAL CA 1 1
5 504 1 1 3 VAL CB C 4.449 3.824 -6.114 1.00 . A A . 3 VAL CB 1 1
5 505 1 1 3 VAL CG1 C 5.703 4.229 -6.872 1.00 . A A . 3 VAL CG1 1 1
5 506 1 1 3 VAL CG2 C 4.147 2.347 -6.317 1.00 . A A . 3 VAL CG2 1 1
5 507 1 1 3 VAL H H 2.680 3.288 -4.332 1.00 . A A . 3 VAL H 1 1
5 508 1 1 3 VAL HA H 5.422 3.565 -4.224 1.00 . A A . 3 VAL HA 1 1
5 509 1 1 3 VAL HB H 3.619 4.396 -6.503 1.00 . A A . 3 VAL HB 1 1
5 510 1 1 3 VAL HG11 H 5.833 3.581 -7.725 1.00 . A A . 3 VAL HG11 1 1
5 511 1 1 3 VAL HG12 H 5.608 5.252 -7.206 1.00 . A A . 3 VAL HG12 1 1
5 512 1 1 3 VAL HG13 H 6.561 4.142 -6.221 1.00 . A A . 3 VAL HG13 1 1
5 513 1 1 3 VAL HG21 H 4.966 1.756 -5.936 1.00 . A A . 3 VAL HG21 1 1
5 514 1 1 3 VAL HG22 H 3.241 2.089 -5.790 1.00 . A A . 3 VAL HG22 1 1
5 515 1 1 3 VAL HG23 H 4.019 2.147 -7.371 1.00 . A A . 3 VAL HG23 1 1
5 516 1 1 3 VAL N N 3.397 3.772 -3.872 1.00 . A A . 3 VAL N 1 1
5 517 1 1 3 VAL O O 4.250 6.453 -5.077 1.00 . A A . 3 VAL O 1 1
5 518 1 1 4 . C C 6.829 7.444 -1.960 1.00 . A A . 4 DLE C 1 1
5 519 1 1 4 . CA C 6.279 7.307 -3.381 1.00 . A A . 4 DLE CA 1 1
5 520 1 1 4 . CB C 7.250 7.785 -4.464 1.00 . A A . 4 DLE CB 1 1
5 521 1 1 4 . CD1 C 6.080 9.175 -6.213 1.00 . A A . 4 DLE CD1 1 1
5 522 1 1 4 . CD2 C 8.339 9.896 -5.310 1.00 . A A . 4 DLE CD2 1 1
5 523 1 1 4 . CG C 7.013 9.198 -5.000 1.00 . A A . 4 DLE CG 1 1
5 524 1 1 4 . H H 6.424 5.247 -3.109 1.00 . A A . 4 DLE H 1 1
5 525 1 1 4 . HA H 5.379 7.916 -3.463 1.00 . A A . 4 DLE HA 1 1
5 526 1 1 4 . HB2 H 7.202 7.087 -5.300 1.00 . A A . 4 DLE HB2 1 1
5 527 1 1 4 . HB3 H 8.262 7.734 -4.064 1.00 . A A . 4 DLE HB3 1 1
5 528 1 1 4 . HD11 H 5.988 10.182 -6.619 1.00 . A A . 4 DLE HD11 1 1
5 529 1 1 4 . HD12 H 5.098 8.814 -5.909 1.00 . A A . 4 DLE HD12 1 1
5 530 1 1 4 . HD13 H 6.491 8.512 -6.975 1.00 . A A . 4 DLE HD13 1 1
5 531 1 1 4 . HD21 H 9.132 9.152 -5.387 1.00 . A A . 4 DLE HD21 1 1
5 532 1 1 4 . HD22 H 8.576 10.597 -4.510 1.00 . A A . 4 DLE HD22 1 1
5 533 1 1 4 . HD23 H 8.254 10.436 -6.253 1.00 . A A . 4 DLE HD23 1 1
5 534 1 1 4 . HG H 6.517 9.780 -4.224 1.00 . A A . 4 DLE HG 1 1
5 535 1 1 4 . N N 5.894 5.926 -3.616 1.00 . A A . 4 DLE N 1 1
5 536 1 1 4 . O O 7.610 8.342 -1.645 1.00 . A A . 4 DLE O 1 1
5 537 1 1 5 TYR C C 8.350 6.599 0.393 1.00 . A A . 5 TYR C 1 1
5 538 1 1 5 TYR CA C 6.830 6.520 0.292 1.00 . A A . 5 TYR CA 1 1
5 539 1 1 5 TYR CB C 6.325 5.262 0.999 1.00 . A A . 5 TYR CB 1 1
5 540 1 1 5 TYR CD1 C 4.107 6.344 1.534 1.00 . A A . 5 TYR CD1 1 1
5 541 1 1 5 TYR CD2 C 5.090 4.923 3.176 1.00 . A A . 5 TYR CD2 1 1
5 542 1 1 5 TYR CE1 C 3.034 6.578 2.372 1.00 . A A . 5 TYR CE1 1 1
5 543 1 1 5 TYR CE2 C 4.020 5.150 4.020 1.00 . A A . 5 TYR CE2 1 1
5 544 1 1 5 TYR CG C 5.152 5.514 1.920 1.00 . A A . 5 TYR CG 1 1
5 545 1 1 5 TYR CZ C 2.995 5.978 3.614 1.00 . A A . 5 TYR CZ 1 1
5 546 1 1 5 TYR H H 5.778 5.834 -1.411 1.00 . A A . 5 TYR H 1 1
5 547 1 1 5 TYR HA H 6.403 7.388 0.774 1.00 . A A . 5 TYR HA 1 1
5 548 1 1 5 TYR HB2 H 6.015 4.541 0.259 1.00 . A A . 5 TYR HB2 1 1
5 549 1 1 5 TYR HB3 H 7.126 4.843 1.590 1.00 . A A . 5 TYR HB3 1 1
5 550 1 1 5 TYR HD1 H 4.140 6.812 0.561 1.00 . A A . 5 TYR HD1 1 1
5 551 1 1 5 TYR HD2 H 5.895 4.275 3.491 1.00 . A A . 5 TYR HD2 1 1
5 552 1 1 5 TYR HE1 H 2.231 7.226 2.055 1.00 . A A . 5 TYR HE1 1 1
5 553 1 1 5 TYR HE2 H 3.990 4.681 4.992 1.00 . A A . 5 TYR HE2 1 1
5 554 1 1 5 TYR HH H 1.255 5.540 4.303 1.00 . A A . 5 TYR HH 1 1
5 555 1 1 5 TYR N N 6.400 6.525 -1.101 1.00 . A A . 5 TYR N 1 1
5 556 1 1 5 TYR O O 9.077 6.302 -0.555 1.00 . A A . 5 TYR O 1 1
5 557 1 1 5 TYR OH O 1.928 6.208 4.452 1.00 . A A . 5 TYR OH 1 1
5 558 1 1 6 PRO C C 7.218 8.659 2.469 1.00 . A A . 6 PRO C 1 1
5 559 1 1 6 PRO CA C 7.987 7.364 2.707 1.00 . A A . 6 PRO CA 1 1
5 560 1 1 6 PRO CB C 8.980 7.537 3.859 1.00 . A A . 6 PRO CB 1 1
5 561 1 1 6 PRO CD C 10.274 7.154 1.886 1.00 . A A . 6 PRO CD 1 1
5 562 1 1 6 PRO CG C 10.269 7.887 3.199 1.00 . A A . 6 PRO CG 1 1
5 563 1 1 6 PRO HA H 7.293 6.572 2.944 1.00 . A A . 6 PRO HA 1 1
5 564 1 1 6 PRO HB2 H 8.643 8.328 4.513 1.00 . A A . 6 PRO HB2 1 1
5 565 1 1 6 PRO HB3 H 9.059 6.613 4.413 1.00 . A A . 6 PRO HB3 1 1
5 566 1 1 6 PRO HD2 H 10.777 7.739 1.130 1.00 . A A . 6 PRO HD2 1 1
5 567 1 1 6 PRO HD3 H 10.745 6.188 1.994 1.00 . A A . 6 PRO HD3 1 1
5 568 1 1 6 PRO HG2 H 10.320 8.952 3.034 1.00 . A A . 6 PRO HG2 1 1
5 569 1 1 6 PRO HG3 H 11.096 7.561 3.813 1.00 . A A . 6 PRO HG3 1 1
5 570 1 1 6 PRO N N 8.843 7.008 1.571 1.00 . A A . 6 PRO N 1 1
5 571 1 1 6 PRO O O 6.278 8.976 3.198 1.00 . A A . 6 PRO O 1 1
5 572 1 1 7 TRP C C 6.007 10.484 -0.060 1.00 . A A . 7 TRP C 1 1
5 573 1 1 7 TRP CA C 6.968 10.662 1.110 1.00 . A A . 7 TRP CA 1 1
5 574 1 1 7 TRP CB C 8.012 11.727 0.771 1.00 . A A . 7 TRP CB 1 1
5 575 1 1 7 TRP CD1 C 8.055 14.181 1.507 1.00 . A A . 7 TRP CD1 1 1
5 576 1 1 7 TRP CD2 C 8.153 12.712 3.195 1.00 . A A . 7 TRP CD2 1 1
5 577 1 1 7 TRP CE2 C 8.184 14.015 3.730 1.00 . A A . 7 TRP CE2 1 1
5 578 1 1 7 TRP CE3 C 8.202 11.624 4.069 1.00 . A A . 7 TRP CE3 1 1
5 579 1 1 7 TRP CG C 8.070 12.842 1.771 1.00 . A A . 7 TRP CG 1 1
5 580 1 1 7 TRP CH2 C 8.310 13.170 5.933 1.00 . A A . 7 TRP CH2 1 1
5 581 1 1 7 TRP CZ2 C 8.263 14.255 5.100 1.00 . A A . 7 TRP CZ2 1 1
5 582 1 1 7 TRP CZ3 C 8.281 11.863 5.428 1.00 . A A . 7 TRP CZ3 1 1
5 583 1 1 7 TRP H H 8.376 9.095 0.899 1.00 . A A . 7 TRP H 1 1
5 584 1 1 7 TRP HA H 6.407 10.983 1.975 1.00 . A A . 7 TRP HA 1 1
5 585 1 1 7 TRP HB2 H 8.987 11.266 0.730 1.00 . A A . 7 TRP HB2 1 1
5 586 1 1 7 TRP HB3 H 7.779 12.155 -0.193 1.00 . A A . 7 TRP HB3 1 1
5 587 1 1 7 TRP HD1 H 7.999 14.605 0.516 1.00 . A A . 7 TRP HD1 1 1
5 588 1 1 7 TRP HE1 H 8.128 15.871 2.754 1.00 . A A . 7 TRP HE1 1 1
5 589 1 1 7 TRP HE3 H 8.180 10.609 3.700 1.00 . A A . 7 TRP HE3 1 1
5 590 1 1 7 TRP HH2 H 8.372 13.310 7.001 1.00 . A A . 7 TRP HH2 1 1
5 591 1 1 7 TRP HZ2 H 8.286 15.256 5.504 1.00 . A A . 7 TRP HZ2 1 1
5 592 1 1 7 TRP HZ3 H 8.320 11.034 6.119 1.00 . A A . 7 TRP HZ3 1 1
5 593 1 1 7 TRP N N 7.621 9.401 1.444 1.00 . A A . 7 TRP N 1 1
5 594 1 1 7 TRP NE1 N 8.124 14.893 2.681 1.00 . A A . 7 TRP NE1 1 1
5 595 1 1 7 TRP O O 6.389 10.645 -1.220 1.00 . A A . 7 TRP O 1 1
5 596 1 1 8 CYS C C 3.083 11.273 -1.154 1.00 . A A . 8 CYS C 1 1
5 597 1 1 8 CYS CA C 3.743 9.950 -0.776 1.00 . A A . 8 CYS CA 1 1
5 598 1 1 8 CYS CB C 2.683 8.960 -0.288 1.00 . A A . 8 CYS CB 1 1
5 599 1 1 8 CYS H H 4.514 10.036 1.193 1.00 . A A . 8 CYS H 1 1
5 600 1 1 8 CYS HA H 4.229 9.542 -1.649 1.00 . A A . 8 CYS HA 1 1
5 601 1 1 8 CYS HB2 H 3.010 8.527 0.646 1.00 . A A . 8 CYS HB2 1 1
5 602 1 1 8 CYS HB3 H 1.755 9.488 -0.129 1.00 . A A . 8 CYS HB3 1 1
5 603 1 1 8 CYS N N 4.759 10.151 0.250 1.00 . A A . 8 CYS N 1 1
5 604 1 1 8 CYS O O 2.378 11.879 -0.347 1.00 . A A . 8 CYS O 1 1
5 605 1 1 8 CYS SG S 2.353 7.593 -1.446 1.00 . A A . 8 CYS SG 1 1
6 606 1 1 1 GLY C C 1.826 1.255 -1.915 1.00 . A A . 1 GLY C 1 1
6 607 1 1 1 GLY CA C 1.964 -0.035 -1.129 1.00 . A A . 1 GLY CA 1 1
6 608 1 1 1 GLY H1 H 3.594 -1.309 -1.578 1.00 . A A . 1 GLY H1 1 1
6 609 1 1 1 GLY HA2 H 1.350 -0.793 -1.592 1.00 . A A . 1 GLY HA2 1 1
6 610 1 1 1 GLY HA3 H 1.613 0.133 -0.121 1.00 . A A . 1 GLY HA3 1 1
6 611 1 1 1 GLY N N 3.334 -0.508 -1.076 1.00 . A A . 1 GLY N 1 1
6 612 1 1 1 GLY O O 1.648 1.232 -3.133 1.00 . A A . 1 GLY O 1 1
6 613 1 1 2 CYS C C 3.100 4.089 -2.522 1.00 . A A . 2 CYS C 1 1
6 614 1 1 2 CYS CA C 1.787 3.688 -1.856 1.00 . A A . 2 CYS CA 1 1
6 615 1 1 2 CYS CB C 1.379 4.746 -0.829 1.00 . A A . 2 CYS CB 1 1
6 616 1 1 2 CYS H H 2.049 2.336 -0.248 1.00 . A A . 2 CYS H 1 1
6 617 1 1 2 CYS HA H 1.020 3.618 -2.612 1.00 . A A . 2 CYS HA 1 1
6 618 1 1 2 CYS HB2 H 0.378 4.533 -0.482 1.00 . A A . 2 CYS HB2 1 1
6 619 1 1 2 CYS HB3 H 2.061 4.705 0.008 1.00 . A A . 2 CYS HB3 1 1
6 620 1 1 2 CYS N N 1.906 2.382 -1.217 1.00 . A A . 2 CYS N 1 1
6 621 1 1 2 CYS O O 3.973 4.683 -1.890 1.00 . A A . 2 CYS O 1 1
6 622 1 1 2 CYS SG S 1.391 6.450 -1.472 1.00 . A A . 2 CYS SG 1 1
6 623 1 1 3 VAL C C 4.787 5.563 -4.418 1.00 . A A . 3 VAL C 1 1
6 624 1 1 3 VAL CA C 4.436 4.086 -4.556 1.00 . A A . 3 VAL CA 1 1
6 625 1 1 3 VAL CB C 4.274 3.746 -6.050 1.00 . A A . 3 VAL CB 1 1
6 626 1 1 3 VAL CG1 C 5.562 4.034 -6.806 1.00 . A A . 3 VAL CG1 1 1
6 627 1 1 3 VAL CG2 C 3.857 2.293 -6.223 1.00 . A A . 3 VAL CG2 1 1
6 628 1 1 3 VAL H H 2.500 3.286 -4.253 1.00 . A A . 3 VAL H 1 1
6 629 1 1 3 VAL HA H 5.249 3.495 -4.160 1.00 . A A . 3 VAL HA 1 1
6 630 1 1 3 VAL HB H 3.495 4.373 -6.459 1.00 . A A . 3 VAL HB 1 1
6 631 1 1 3 VAL HG11 H 5.403 3.871 -7.862 1.00 . A A . 3 VAL HG11 1 1
6 632 1 1 3 VAL HG12 H 5.857 5.059 -6.639 1.00 . A A . 3 VAL HG12 1 1
6 633 1 1 3 VAL HG13 H 6.341 3.373 -6.455 1.00 . A A . 3 VAL HG13 1 1
6 634 1 1 3 VAL HG21 H 3.835 1.808 -5.259 1.00 . A A . 3 VAL HG21 1 1
6 635 1 1 3 VAL HG22 H 2.875 2.252 -6.670 1.00 . A A . 3 VAL HG22 1 1
6 636 1 1 3 VAL HG23 H 4.566 1.789 -6.864 1.00 . A A . 3 VAL HG23 1 1
6 637 1 1 3 VAL N N 3.231 3.760 -3.803 1.00 . A A . 3 VAL N 1 1
6 638 1 1 3 VAL O O 4.148 6.397 -5.058 1.00 . A A . 3 VAL O 1 1
6 639 1 1 4 . C C 6.766 7.373 -1.969 1.00 . A A . 4 DLE C 1 1
6 640 1 1 4 . CA C 6.207 7.227 -3.385 1.00 . A A . 4 DLE CA 1 1
6 641 1 1 4 . CB C 7.184 7.661 -4.480 1.00 . A A . 4 DLE CB 1 1
6 642 1 1 4 . CD1 C 7.830 9.222 -6.352 1.00 . A A . 4 DLE CD1 1 1
6 643 1 1 4 . CD2 C 6.583 10.105 -4.327 1.00 . A A . 4 DLE CD2 1 1
6 644 1 1 4 . CG C 6.797 8.916 -5.265 1.00 . A A . 4 DLE CG 1 1
6 645 1 1 4 . H H 6.299 5.169 -3.079 1.00 . A A . 4 DLE H 1 1
6 646 1 1 4 . HA H 5.323 7.858 -3.474 1.00 . A A . 4 DLE HA 1 1
6 647 1 1 4 . HB2 H 7.298 6.837 -5.184 1.00 . A A . 4 DLE HB2 1 1
6 648 1 1 4 . HB3 H 8.159 7.828 -4.023 1.00 . A A . 4 DLE HB3 1 1
6 649 1 1 4 . HD11 H 7.461 8.867 -7.314 1.00 . A A . 4 DLE HD11 1 1
6 650 1 1 4 . HD12 H 8.768 8.720 -6.114 1.00 . A A . 4 DLE HD12 1 1
6 651 1 1 4 . HD13 H 7.997 10.299 -6.401 1.00 . A A . 4 DLE HD13 1 1
6 652 1 1 4 . HD21 H 5.583 10.050 -3.894 1.00 . A A . 4 DLE HD21 1 1
6 653 1 1 4 . HD22 H 6.685 11.034 -4.888 1.00 . A A . 4 DLE HD22 1 1
6 654 1 1 4 . HD23 H 7.326 10.078 -3.530 1.00 . A A . 4 DLE HD23 1 1
6 655 1 1 4 . HG H 5.849 8.726 -5.767 1.00 . A A . 4 DLE HG 1 1
6 656 1 1 4 . N N 5.785 5.853 -3.595 1.00 . A A . 4 DLE N 1 1
6 657 1 1 4 . O O 7.573 8.256 -1.673 1.00 . A A . 4 DLE O 1 1
6 658 1 1 5 TYR C C 8.276 6.529 0.391 1.00 . A A . 5 TYR C 1 1
6 659 1 1 5 TYR CA C 6.754 6.489 0.298 1.00 . A A . 5 TYR CA 1 1
6 660 1 1 5 TYR CB C 6.219 5.256 1.029 1.00 . A A . 5 TYR CB 1 1
6 661 1 1 5 TYR CD1 C 4.034 6.408 1.556 1.00 . A A . 5 TYR CD1 1 1
6 662 1 1 5 TYR CD2 C 4.985 4.985 3.216 1.00 . A A . 5 TYR CD2 1 1
6 663 1 1 5 TYR CE1 C 2.972 6.684 2.394 1.00 . A A . 5 TYR CE1 1 1
6 664 1 1 5 TYR CE2 C 3.926 5.255 4.060 1.00 . A A . 5 TYR CE2 1 1
6 665 1 1 5 TYR CG C 5.058 5.555 1.951 1.00 . A A . 5 TYR CG 1 1
6 666 1 1 5 TYR CZ C 2.922 6.105 3.645 1.00 . A A . 5 TYR CZ 1 1
6 667 1 1 5 TYR H H 5.676 5.802 -1.388 1.00 . A A . 5 TYR H 1 1
6 668 1 1 5 TYR HA H 6.352 7.376 0.767 1.00 . A A . 5 TYR HA 1 1
6 669 1 1 5 TYR HB2 H 5.887 4.531 0.303 1.00 . A A . 5 TYR HB2 1 1
6 670 1 1 5 TYR HB3 H 7.013 4.827 1.623 1.00 . A A . 5 TYR HB3 1 1
6 671 1 1 5 TYR HD1 H 4.076 6.860 0.575 1.00 . A A . 5 TYR HD1 1 1
6 672 1 1 5 TYR HD2 H 5.773 4.320 3.538 1.00 . A A . 5 TYR HD2 1 1
6 673 1 1 5 TYR HE1 H 2.185 7.349 2.070 1.00 . A A . 5 TYR HE1 1 1
6 674 1 1 5 TYR HE2 H 3.886 4.802 5.040 1.00 . A A . 5 TYR HE2 1 1
6 675 1 1 5 TYR HH H 1.586 7.287 4.362 1.00 . A A . 5 TYR HH 1 1
6 676 1 1 5 TYR N N 6.317 6.481 -1.093 1.00 . A A . 5 TYR N 1 1
6 677 1 1 5 TYR O O 8.991 6.197 -0.555 1.00 . A A . 5 TYR O 1 1
6 678 1 1 5 TYR OH O 1.865 6.377 4.484 1.00 . A A . 5 TYR OH 1 1
6 679 1 1 6 PRO C C 7.208 8.653 2.436 1.00 . A A . 6 PRO C 1 1
6 680 1 1 6 PRO CA C 7.945 7.343 2.693 1.00 . A A . 6 PRO CA 1 1
6 681 1 1 6 PRO CB C 8.947 7.510 3.838 1.00 . A A . 6 PRO CB 1 1
6 682 1 1 6 PRO CD C 10.221 7.060 1.866 1.00 . A A . 6 PRO CD 1 1
6 683 1 1 6 PRO CG C 10.242 7.814 3.166 1.00 . A A . 6 PRO CG 1 1
6 684 1 1 6 PRO HA H 7.230 6.574 2.947 1.00 . A A . 6 PRO HA 1 1
6 685 1 1 6 PRO HB2 H 8.633 8.321 4.480 1.00 . A A . 6 PRO HB2 1 1
6 686 1 1 6 PRO HB3 H 9.004 6.594 4.407 1.00 . A A . 6 PRO HB3 1 1
6 687 1 1 6 PRO HD2 H 10.736 7.617 1.098 1.00 . A A . 6 PRO HD2 1 1
6 688 1 1 6 PRO HD3 H 10.667 6.084 1.989 1.00 . A A . 6 PRO HD3 1 1
6 689 1 1 6 PRO HG2 H 10.319 8.875 2.983 1.00 . A A . 6 PRO HG2 1 1
6 690 1 1 6 PRO HG3 H 11.062 7.477 3.782 1.00 . A A . 6 PRO HG3 1 1
6 691 1 1 6 PRO N N 8.785 6.945 1.560 1.00 . A A . 6 PRO N 1 1
6 692 1 1 6 PRO O O 6.280 9.008 3.164 1.00 . A A . 6 PRO O 1 1
6 693 1 1 7 TRP C C 6.034 10.466 -0.119 1.00 . A A . 7 TRP C 1 1
6 694 1 1 7 TRP CA C 7.004 10.639 1.044 1.00 . A A . 7 TRP CA 1 1
6 695 1 1 7 TRP CB C 8.074 11.671 0.684 1.00 . A A . 7 TRP CB 1 1
6 696 1 1 7 TRP CD1 C 8.183 14.135 1.377 1.00 . A A . 7 TRP CD1 1 1
6 697 1 1 7 TRP CD2 C 8.250 12.693 3.089 1.00 . A A . 7 TRP CD2 1 1
6 698 1 1 7 TRP CE2 C 8.317 14.004 3.602 1.00 . A A . 7 TRP CE2 1 1
6 699 1 1 7 TRP CE3 C 8.274 11.619 3.982 1.00 . A A . 7 TRP CE3 1 1
6 700 1 1 7 TRP CG C 8.164 12.800 1.664 1.00 . A A . 7 TRP CG 1 1
6 701 1 1 7 TRP CH2 C 8.430 13.194 5.818 1.00 . A A . 7 TRP CH2 1 1
6 702 1 1 7 TRP CZ2 C 8.408 14.265 4.967 1.00 . A A . 7 TRP CZ2 1 1
6 703 1 1 7 TRP CZ3 C 8.365 11.880 5.336 1.00 . A A . 7 TRP CZ3 1 1
6 704 1 1 7 TRP H H 8.370 9.032 0.854 1.00 . A A . 7 TRP H 1 1
6 705 1 1 7 TRP HA H 6.455 10.989 1.906 1.00 . A A . 7 TRP HA 1 1
6 706 1 1 7 TRP HB2 H 9.037 11.184 0.647 1.00 . A A . 7 TRP HB2 1 1
6 707 1 1 7 TRP HB3 H 7.848 12.088 -0.287 1.00 . A A . 7 TRP HB3 1 1
6 708 1 1 7 TRP HD1 H 8.134 14.543 0.379 1.00 . A A . 7 TRP HD1 1 1
6 709 1 1 7 TRP HE1 H 8.305 15.843 2.594 1.00 . A A . 7 TRP HE1 1 1
6 710 1 1 7 TRP HE3 H 8.225 10.599 3.630 1.00 . A A . 7 TRP HE3 1 1
6 711 1 1 7 TRP HH2 H 8.500 13.351 6.883 1.00 . A A . 7 TRP HH2 1 1
6 712 1 1 7 TRP HZ2 H 8.458 15.272 5.354 1.00 . A A . 7 TRP HZ2 1 1
6 713 1 1 7 TRP HZ3 H 8.386 11.062 6.041 1.00 . A A . 7 TRP HZ3 1 1
6 714 1 1 7 TRP N N 7.626 9.367 1.397 1.00 . A A . 7 TRP N 1 1
6 715 1 1 7 TRP NE1 N 8.275 14.865 2.538 1.00 . A A . 7 TRP NE1 1 1
6 716 1 1 7 TRP O O 6.415 10.599 -1.283 1.00 . A A . 7 TRP O 1 1
6 717 1 1 8 CYS C C 3.128 11.311 -1.217 1.00 . A A . 8 CYS C 1 1
6 718 1 1 8 CYS CA C 3.754 9.978 -0.818 1.00 . A A . 8 CYS CA 1 1
6 719 1 1 8 CYS CB C 2.671 9.025 -0.309 1.00 . A A . 8 CYS CB 1 1
6 720 1 1 8 CYS H H 4.536 10.076 1.147 1.00 . A A . 8 CYS H 1 1
6 721 1 1 8 CYS HA H 4.226 9.542 -1.685 1.00 . A A . 8 CYS HA 1 1
6 722 1 1 8 CYS HB2 H 2.989 8.601 0.632 1.00 . A A . 8 CYS HB2 1 1
6 723 1 1 8 CYS HB3 H 1.757 9.580 -0.156 1.00 . A A . 8 CYS HB3 1 1
6 724 1 1 8 CYS N N 4.779 10.169 0.201 1.00 . A A . 8 CYS N 1 1
6 725 1 1 8 CYS O O 3.706 12.373 -0.985 1.00 . A A . 8 CYS O 1 1
6 726 1 1 8 CYS SG S 2.301 7.646 -1.440 1.00 . A A . 8 CYS SG 1 1
7 727 1 1 1 GLY C C 1.579 1.254 -1.901 1.00 . A A . 1 GLY C 1 1
7 728 1 1 1 GLY CA C 1.935 -0.069 -1.254 1.00 . A A . 1 GLY CA 1 1
7 729 1 1 1 GLY H1 H 3.733 -1.071 -1.751 1.00 . A A . 1 GLY H1 1 1
7 730 1 1 1 GLY HA2 H 1.028 -0.630 -1.081 1.00 . A A . 1 GLY HA2 1 1
7 731 1 1 1 GLY HA3 H 2.412 0.125 -0.304 1.00 . A A . 1 GLY HA3 1 1
7 732 1 1 1 GLY N N 2.830 -0.865 -2.073 1.00 . A A . 1 GLY N 1 1
7 733 1 1 1 GLY O O 0.866 1.291 -2.905 1.00 . A A . 1 GLY O 1 1
7 734 1 1 2 CYS C C 3.020 4.233 -2.583 1.00 . A A . 2 CYS C 1 1
7 735 1 1 2 CYS CA C 1.802 3.677 -1.852 1.00 . A A . 2 CYS CA 1 1
7 736 1 1 2 CYS CB C 1.398 4.623 -0.719 1.00 . A A . 2 CYS CB 1 1
7 737 1 1 2 CYS H H 2.635 2.252 -0.528 1.00 . A A . 2 CYS H 1 1
7 738 1 1 2 CYS HA H 0.983 3.598 -2.551 1.00 . A A . 2 CYS HA 1 1
7 739 1 1 2 CYS HB2 H 0.448 4.304 -0.315 1.00 . A A . 2 CYS HB2 1 1
7 740 1 1 2 CYS HB3 H 2.147 4.580 0.059 1.00 . A A . 2 CYS HB3 1 1
7 741 1 1 2 CYS N N 2.073 2.345 -1.326 1.00 . A A . 2 CYS N 1 1
7 742 1 1 2 CYS O O 3.894 4.852 -1.975 1.00 . A A . 2 CYS O 1 1
7 743 1 1 2 CYS SG S 1.225 6.363 -1.228 1.00 . A A . 2 CYS SG 1 1
7 744 1 1 3 VAL C C 4.428 5.973 -4.482 1.00 . A A . 3 VAL C 1 1
7 745 1 1 3 VAL CA C 4.183 4.485 -4.707 1.00 . A A . 3 VAL CA 1 1
7 746 1 1 3 VAL CB C 3.926 4.238 -6.205 1.00 . A A . 3 VAL CB 1 1
7 747 1 1 3 VAL CG1 C 5.143 4.634 -7.028 1.00 . A A . 3 VAL CG1 1 1
7 748 1 1 3 VAL CG2 C 3.557 2.783 -6.450 1.00 . A A . 3 VAL CG2 1 1
7 749 1 1 3 VAL H H 2.346 3.507 -4.319 1.00 . A A . 3 VAL H 1 1
7 750 1 1 3 VAL HA H 5.068 3.936 -4.420 1.00 . A A . 3 VAL HA 1 1
7 751 1 1 3 VAL HB H 3.094 4.855 -6.514 1.00 . A A . 3 VAL HB 1 1
7 752 1 1 3 VAL HG11 H 5.126 5.700 -7.204 1.00 . A A . 3 VAL HG11 1 1
7 753 1 1 3 VAL HG12 H 6.042 4.370 -6.491 1.00 . A A . 3 VAL HG12 1 1
7 754 1 1 3 VAL HG13 H 5.122 4.114 -7.974 1.00 . A A . 3 VAL HG13 1 1
7 755 1 1 3 VAL HG21 H 4.080 2.155 -5.744 1.00 . A A . 3 VAL HG21 1 1
7 756 1 1 3 VAL HG22 H 2.492 2.656 -6.325 1.00 . A A . 3 VAL HG22 1 1
7 757 1 1 3 VAL HG23 H 3.837 2.504 -7.455 1.00 . A A . 3 VAL HG23 1 1
7 758 1 1 3 VAL N N 3.072 4.007 -3.892 1.00 . A A . 3 VAL N 1 1
7 759 1 1 3 VAL O O 3.676 6.793 -5.006 1.00 . A A . 3 VAL O 1 1
7 760 1 1 4 . C C 6.455 7.764 -2.059 1.00 . A A . 4 DLE C 1 1
7 761 1 1 4 . CA C 5.794 7.672 -3.436 1.00 . A A . 4 DLE CA 1 1
7 762 1 1 4 . CB C 6.641 8.262 -4.565 1.00 . A A . 4 DLE CB 1 1
7 763 1 1 4 . CD1 C 9.100 8.440 -4.032 1.00 . A A . 4 DLE CD1 1 1
7 764 1 1 4 . CD2 C 8.342 7.472 -6.251 1.00 . A A . 4 DLE CD2 1 1
7 765 1 1 4 . CG C 8.023 7.636 -4.764 1.00 . A A . 4 DLE CG 1 1
7 766 1 1 4 . H H 6.071 5.612 -3.296 1.00 . A A . 4 DLE H 1 1
7 767 1 1 4 . HA H 4.859 8.231 -3.408 1.00 . A A . 4 DLE HA 1 1
7 768 1 1 4 . HB2 H 6.771 9.328 -4.377 1.00 . A A . 4 DLE HB2 1 1
7 769 1 1 4 . HB3 H 6.084 8.168 -5.497 1.00 . A A . 4 DLE HB3 1 1
7 770 1 1 4 . HD11 H 9.515 7.839 -3.223 1.00 . A A . 4 DLE HD11 1 1
7 771 1 1 4 . HD12 H 8.658 9.348 -3.621 1.00 . A A . 4 DLE HD12 1 1
7 772 1 1 4 . HD13 H 9.893 8.706 -4.731 1.00 . A A . 4 DLE HD13 1 1
7 773 1 1 4 . HD21 H 7.424 7.258 -6.798 1.00 . A A . 4 DLE HD21 1 1
7 774 1 1 4 . HD22 H 9.044 6.649 -6.384 1.00 . A A . 4 DLE HD22 1 1
7 775 1 1 4 . HD23 H 8.785 8.392 -6.631 1.00 . A A . 4 DLE HD23 1 1
7 776 1 1 4 . HG H 8.013 6.638 -4.325 1.00 . A A . 4 DLE HG 1 1
7 777 1 1 4 . N N 5.464 6.285 -3.718 1.00 . A A . 4 DLE N 1 1
7 778 1 1 4 . O O 7.211 8.688 -1.758 1.00 . A A . 4 DLE O 1 1
7 779 1 1 5 TYR C C 8.214 6.885 0.108 1.00 . A A . 5 TYR C 1 1
7 780 1 1 5 TYR CA C 6.697 6.724 0.128 1.00 . A A . 5 TYR CA 1 1
7 781 1 1 5 TYR CB C 6.322 5.403 0.800 1.00 . A A . 5 TYR CB 1 1
7 782 1 1 5 TYR CD1 C 4.105 6.327 1.579 1.00 . A A . 5 TYR CD1 1 1
7 783 1 1 5 TYR CD2 C 5.297 4.876 3.047 1.00 . A A . 5 TYR CD2 1 1
7 784 1 1 5 TYR CE1 C 3.096 6.454 2.514 1.00 . A A . 5 TYR CE1 1 1
7 785 1 1 5 TYR CE2 C 4.292 4.996 3.988 1.00 . A A . 5 TYR CE2 1 1
7 786 1 1 5 TYR CG C 5.221 5.537 1.828 1.00 . A A . 5 TYR CG 1 1
7 787 1 1 5 TYR CZ C 3.194 5.786 3.717 1.00 . A A . 5 TYR CZ 1 1
7 788 1 1 5 TYR H H 5.542 6.070 -1.520 1.00 . A A . 5 TYR H 1 1
7 789 1 1 5 TYR HA H 6.268 7.539 0.692 1.00 . A A . 5 TYR HA 1 1
7 790 1 1 5 TYR HB2 H 5.989 4.705 0.048 1.00 . A A . 5 TYR HB2 1 1
7 791 1 1 5 TYR HB3 H 7.193 5.000 1.298 1.00 . A A . 5 TYR HB3 1 1
7 792 1 1 5 TYR HD1 H 4.031 6.849 0.635 1.00 . A A . 5 TYR HD1 1 1
7 793 1 1 5 TYR HD2 H 6.158 4.259 3.256 1.00 . A A . 5 TYR HD2 1 1
7 794 1 1 5 TYR HE1 H 2.236 7.072 2.302 1.00 . A A . 5 TYR HE1 1 1
7 795 1 1 5 TYR HE2 H 4.369 4.473 4.930 1.00 . A A . 5 TYR HE2 1 1
7 796 1 1 5 TYR HH H 2.304 6.732 5.134 1.00 . A A . 5 TYR HH 1 1
7 797 1 1 5 TYR N N 6.150 6.778 -1.223 1.00 . A A . 5 TYR N 1 1
7 798 1 1 5 TYR O O 8.873 6.682 -0.913 1.00 . A A . 5 TYR O 1 1
7 799 1 1 5 TYR OH O 2.192 5.909 4.652 1.00 . A A . 5 TYR OH 1 1
7 800 1 1 6 PRO C C 7.156 8.763 2.385 1.00 . A A . 6 PRO C 1 1
7 801 1 1 6 PRO CA C 8.011 7.504 2.484 1.00 . A A . 6 PRO CA 1 1
7 802 1 1 6 PRO CB C 9.088 7.673 3.558 1.00 . A A . 6 PRO CB 1 1
7 803 1 1 6 PRO CD C 10.227 7.471 1.466 1.00 . A A . 6 PRO CD 1 1
7 804 1 1 6 PRO CG C 10.295 8.131 2.816 1.00 . A A . 6 PRO CG 1 1
7 805 1 1 6 PRO HA H 7.382 6.662 2.731 1.00 . A A . 6 PRO HA 1 1
7 806 1 1 6 PRO HB2 H 8.766 8.408 4.282 1.00 . A A . 6 PRO HB2 1 1
7 807 1 1 6 PRO HB3 H 9.262 6.728 4.050 1.00 . A A . 6 PRO HB3 1 1
7 808 1 1 6 PRO HD2 H 10.632 8.123 0.706 1.00 . A A . 6 PRO HD2 1 1
7 809 1 1 6 PRO HD3 H 10.756 6.530 1.480 1.00 . A A . 6 PRO HD3 1 1
7 810 1 1 6 PRO HG2 H 10.275 9.205 2.709 1.00 . A A . 6 PRO HG2 1 1
7 811 1 1 6 PRO HG3 H 11.187 7.822 3.339 1.00 . A A . 6 PRO HG3 1 1
7 812 1 1 6 PRO N N 8.784 7.259 1.263 1.00 . A A . 6 PRO N 1 1
7 813 1 1 6 PRO O O 6.266 8.987 3.206 1.00 . A A . 6 PRO O 1 1
7 814 1 1 7 TRP C C 5.638 10.646 0.073 1.00 . A A . 7 TRP C 1 1
7 815 1 1 7 TRP CA C 6.684 10.817 1.169 1.00 . A A . 7 TRP CA 1 1
7 816 1 1 7 TRP CB C 7.638 11.958 0.808 1.00 . A A . 7 TRP CB 1 1
7 817 1 1 7 TRP CD1 C 7.611 14.368 1.678 1.00 . A A . 7 TRP CD1 1 1
7 818 1 1 7 TRP CD2 C 7.930 12.820 3.265 1.00 . A A . 7 TRP CD2 1 1
7 819 1 1 7 TRP CE2 C 7.937 14.093 3.870 1.00 . A A . 7 TRP CE2 1 1
7 820 1 1 7 TRP CE3 C 8.111 11.692 4.068 1.00 . A A . 7 TRP CE3 1 1
7 821 1 1 7 TRP CG C 7.720 13.020 1.863 1.00 . A A . 7 TRP CG 1 1
7 822 1 1 7 TRP CH2 C 8.294 13.141 6.002 1.00 . A A . 7 TRP CH2 1 1
7 823 1 1 7 TRP CZ2 C 8.119 14.264 5.239 1.00 . A A . 7 TRP CZ2 1 1
7 824 1 1 7 TRP CZ3 C 8.292 11.863 5.427 1.00 . A A . 7 TRP CZ3 1 1
7 825 1 1 7 TRP H H 8.151 9.348 0.753 1.00 . A A . 7 TRP H 1 1
7 826 1 1 7 TRP HA H 6.183 11.059 2.095 1.00 . A A . 7 TRP HA 1 1
7 827 1 1 7 TRP HB2 H 8.629 11.557 0.661 1.00 . A A . 7 TRP HB2 1 1
7 828 1 1 7 TRP HB3 H 7.301 12.422 -0.108 1.00 . A A . 7 TRP HB3 1 1
7 829 1 1 7 TRP HD1 H 7.449 14.840 0.721 1.00 . A A . 7 TRP HD1 1 1
7 830 1 1 7 TRP HE1 H 7.699 15.991 3.009 1.00 . A A . 7 TRP HE1 1 1
7 831 1 1 7 TRP HE3 H 8.113 10.698 3.644 1.00 . A A . 7 TRP HE3 1 1
7 832 1 1 7 TRP HH2 H 8.439 13.228 7.068 1.00 . A A . 7 TRP HH2 1 1
7 833 1 1 7 TRP HZ2 H 8.123 15.242 5.698 1.00 . A A . 7 TRP HZ2 1 1
7 834 1 1 7 TRP HZ3 H 8.434 11.003 6.064 1.00 . A A . 7 TRP HZ3 1 1
7 835 1 1 7 TRP N N 7.430 9.581 1.375 1.00 . A A . 7 TRP N 1 1
7 836 1 1 7 TRP NE1 N 7.742 15.020 2.881 1.00 . A A . 7 TRP NE1 1 1
7 837 1 1 7 TRP O O 5.911 10.890 -1.103 1.00 . A A . 7 TRP O 1 1
7 838 1 1 8 CYS C C 2.592 11.323 -0.728 1.00 . A A . 8 CYS C 1 1
7 839 1 1 8 CYS CA C 3.352 10.023 -0.484 1.00 . A A . 8 CYS CA 1 1
7 840 1 1 8 CYS CB C 2.393 8.947 0.030 1.00 . A A . 8 CYS CB 1 1
7 841 1 1 8 CYS H H 4.283 10.049 1.417 1.00 . A A . 8 CYS H 1 1
7 842 1 1 8 CYS HA H 3.783 9.692 -1.417 1.00 . A A . 8 CYS HA 1 1
7 843 1 1 8 CYS HB2 H 2.821 8.485 0.908 1.00 . A A . 8 CYS HB2 1 1
7 844 1 1 8 CYS HB3 H 1.454 9.410 0.295 1.00 . A A . 8 CYS HB3 1 1
7 845 1 1 8 CYS N N 4.440 10.227 0.465 1.00 . A A . 8 CYS N 1 1
7 846 1 1 8 CYS O O 2.767 12.301 -0.001 1.00 . A A . 8 CYS O 1 1
7 847 1 1 8 CYS SG S 2.043 7.626 -1.174 1.00 . A A . 8 CYS SG 1 1
8 848 1 1 1 GLY C C 1.866 1.200 -2.110 1.00 . A A . 1 GLY C 1 1
8 849 1 1 1 GLY CA C 2.220 -0.137 -1.490 1.00 . A A . 1 GLY CA 1 1
8 850 1 1 1 GLY H1 H 0.420 -1.191 -1.123 1.00 . A A . 1 GLY H1 1 1
8 851 1 1 1 GLY HA2 H 3.089 -0.013 -0.863 1.00 . A A . 1 GLY HA2 1 1
8 852 1 1 1 GLY HA3 H 2.455 -0.836 -2.280 1.00 . A A . 1 GLY HA3 1 1
8 853 1 1 1 GLY N N 1.138 -0.682 -0.691 1.00 . A A . 1 GLY N 1 1
8 854 1 1 1 GLY O O 1.247 1.257 -3.173 1.00 . A A . 1 GLY O 1 1
8 855 1 1 2 CYS C C 3.213 4.230 -2.598 1.00 . A A . 2 CYS C 1 1
8 856 1 1 2 CYS CA C 1.980 3.625 -1.934 1.00 . A A . 2 CYS CA 1 1
8 857 1 1 2 CYS CB C 1.514 4.522 -0.786 1.00 . A A . 2 CYS CB 1 1
8 858 1 1 2 CYS H H 2.751 2.172 -0.602 1.00 . A A . 2 CYS H 1 1
8 859 1 1 2 CYS HA H 1.190 3.554 -2.667 1.00 . A A . 2 CYS HA 1 1
8 860 1 1 2 CYS HB2 H 0.556 4.170 -0.430 1.00 . A A . 2 CYS HB2 1 1
8 861 1 1 2 CYS HB3 H 2.233 4.468 0.018 1.00 . A A . 2 CYS HB3 1 1
8 862 1 1 2 CYS N N 2.260 2.281 -1.444 1.00 . A A . 2 CYS N 1 1
8 863 1 1 2 CYS O O 4.035 4.869 -1.941 1.00 . A A . 2 CYS O 1 1
8 864 1 1 2 CYS SG S 1.323 6.276 -1.242 1.00 . A A . 2 CYS SG 1 1
8 865 1 1 3 VAL C C 4.652 6.042 -4.405 1.00 . A A . 3 VAL C 1 1
8 866 1 1 3 VAL CA C 4.467 4.550 -4.660 1.00 . A A . 3 VAL CA 1 1
8 867 1 1 3 VAL CB C 4.291 4.317 -6.172 1.00 . A A . 3 VAL CB 1 1
8 868 1 1 3 VAL CG1 C 4.560 2.862 -6.523 1.00 . A A . 3 VAL CG1 1 1
8 869 1 1 3 VAL CG2 C 2.896 4.731 -6.616 1.00 . A A . 3 VAL CG2 1 1
8 870 1 1 3 VAL H H 2.647 3.508 -4.375 1.00 . A A . 3 VAL H 1 1
8 871 1 1 3 VAL HA H 5.355 4.027 -4.338 1.00 . A A . 3 VAL HA 1 1
8 872 1 1 3 VAL HB H 5.009 4.930 -6.697 1.00 . A A . 3 VAL HB 1 1
8 873 1 1 3 VAL HG11 H 4.519 2.737 -7.596 1.00 . A A . 3 VAL HG11 1 1
8 874 1 1 3 VAL HG12 H 5.539 2.579 -6.164 1.00 . A A . 3 VAL HG12 1 1
8 875 1 1 3 VAL HG13 H 3.812 2.235 -6.060 1.00 . A A . 3 VAL HG13 1 1
8 876 1 1 3 VAL HG21 H 2.967 5.355 -7.494 1.00 . A A . 3 VAL HG21 1 1
8 877 1 1 3 VAL HG22 H 2.315 3.850 -6.846 1.00 . A A . 3 VAL HG22 1 1
8 878 1 1 3 VAL HG23 H 2.414 5.283 -5.821 1.00 . A A . 3 VAL HG23 1 1
8 879 1 1 3 VAL N N 3.335 4.025 -3.906 1.00 . A A . 3 VAL N 1 1
8 880 1 1 3 VAL O O 3.841 6.838 -4.875 1.00 . A A . 3 VAL O 1 1
8 881 1 1 4 . C C 6.624 7.872 -1.985 1.00 . A A . 4 DLE C 1 1
8 882 1 1 4 . CA C 5.981 7.777 -3.370 1.00 . A A . 4 DLE CA 1 1
8 883 1 1 4 . CB C 6.818 8.414 -4.481 1.00 . A A . 4 DLE CB 1 1
8 884 1 1 4 . CD1 C 9.225 8.563 -5.216 1.00 . A A . 4 DLE CD1 1 1
8 885 1 1 4 . CD2 C 7.725 6.730 -6.124 1.00 . A A . 4 DLE CD2 1 1
8 886 1 1 4 . CG C 8.051 7.626 -4.927 1.00 . A A . 4 DLE CG 1 1
8 887 1 1 4 . H H 6.359 5.730 -3.298 1.00 . A A . 4 DLE H 1 1
8 888 1 1 4 . HA H 5.026 8.302 -3.344 1.00 . A A . 4 DLE HA 1 1
8 889 1 1 4 . HB2 H 7.142 9.399 -4.145 1.00 . A A . 4 DLE HB2 1 1
8 890 1 1 4 . HB3 H 6.176 8.569 -5.348 1.00 . A A . 4 DLE HB3 1 1
8 891 1 1 4 . HD11 H 10.163 8.034 -5.045 1.00 . A A . 4 DLE HD11 1 1
8 892 1 1 4 . HD12 H 9.171 9.429 -4.556 1.00 . A A . 4 DLE HD12 1 1
8 893 1 1 4 . HD13 H 9.179 8.894 -6.254 1.00 . A A . 4 DLE HD13 1 1
8 894 1 1 4 . HD21 H 7.605 5.701 -5.784 1.00 . A A . 4 DLE HD21 1 1
8 895 1 1 4 . HD22 H 8.538 6.781 -6.848 1.00 . A A . 4 DLE HD22 1 1
8 896 1 1 4 . HD23 H 6.801 7.069 -6.591 1.00 . A A . 4 DLE HD23 1 1
8 897 1 1 4 . HG H 8.354 6.973 -4.109 1.00 . A A . 4 DLE HG 1 1
8 898 1 1 4 . N N 5.704 6.384 -3.676 1.00 . A A . 4 DLE N 1 1
8 899 1 1 4 . O O 7.335 8.823 -1.659 1.00 . A A . 4 DLE O 1 1
8 900 1 1 5 TYR C C 8.399 7.031 0.183 1.00 . A A . 5 TYR C 1 1
8 901 1 1 5 TYR CA C 6.891 6.802 0.184 1.00 . A A . 5 TYR CA 1 1
8 902 1 1 5 TYR CB C 6.569 5.452 0.828 1.00 . A A . 5 TYR CB 1 1
8 903 1 1 5 TYR CD1 C 4.303 6.258 1.598 1.00 . A A . 5 TYR CD1 1 1
8 904 1 1 5 TYR CD2 C 5.548 4.840 3.055 1.00 . A A . 5 TYR CD2 1 1
8 905 1 1 5 TYR CE1 C 3.281 6.321 2.525 1.00 . A A . 5 TYR CE1 1 1
8 906 1 1 5 TYR CE2 C 4.530 4.896 3.987 1.00 . A A . 5 TYR CE2 1 1
8 907 1 1 5 TYR CG C 5.453 5.517 1.846 1.00 . A A . 5 TYR CG 1 1
8 908 1 1 5 TYR CZ C 3.399 5.638 3.717 1.00 . A A . 5 TYR CZ 1 1
8 909 1 1 5 TYR H H 5.781 6.129 -1.487 1.00 . A A . 5 TYR H 1 1
8 910 1 1 5 TYR HA H 6.420 7.586 0.760 1.00 . A A . 5 TYR HA 1 1
8 911 1 1 5 TYR HB2 H 6.276 4.755 0.059 1.00 . A A . 5 TYR HB2 1 1
8 912 1 1 5 TYR HB3 H 7.452 5.080 1.327 1.00 . A A . 5 TYR HB3 1 1
8 913 1 1 5 TYR HD1 H 4.214 6.791 0.663 1.00 . A A . 5 TYR HD1 1 1
8 914 1 1 5 TYR HD2 H 6.436 4.260 3.263 1.00 . A A . 5 TYR HD2 1 1
8 915 1 1 5 TYR HE1 H 2.395 6.901 2.314 1.00 . A A . 5 TYR HE1 1 1
8 916 1 1 5 TYR HE2 H 4.622 4.362 4.921 1.00 . A A . 5 TYR HE2 1 1
8 917 1 1 5 TYR HH H 1.774 6.401 4.406 1.00 . A A . 5 TYR HH 1 1
8 918 1 1 5 TYR N N 6.355 6.858 -1.170 1.00 . A A . 5 TYR N 1 1
8 919 1 1 5 TYR O O 9.076 6.877 -0.834 1.00 . A A . 5 TYR O 1 1
8 920 1 1 5 TYR OH O 2.383 5.697 4.644 1.00 . A A . 5 TYR OH 1 1
8 921 1 1 6 PRO C C 7.235 8.815 2.485 1.00 . A A . 6 PRO C 1 1
8 922 1 1 6 PRO CA C 8.145 7.594 2.569 1.00 . A A . 6 PRO CA 1 1
8 923 1 1 6 PRO CB C 9.203 7.790 3.657 1.00 . A A . 6 PRO CB 1 1
8 924 1 1 6 PRO CD C 10.370 7.680 1.574 1.00 . A A . 6 PRO CD 1 1
8 925 1 1 6 PRO CG C 10.396 8.317 2.936 1.00 . A A . 6 PRO CG 1 1
8 926 1 1 6 PRO HA H 7.552 6.720 2.793 1.00 . A A . 6 PRO HA 1 1
8 927 1 1 6 PRO HB2 H 8.841 8.495 4.392 1.00 . A A . 6 PRO HB2 1 1
8 928 1 1 6 PRO HB3 H 9.415 6.844 4.132 1.00 . A A . 6 PRO HB3 1 1
8 929 1 1 6 PRO HD2 H 10.753 8.364 0.831 1.00 . A A . 6 PRO HD2 1 1
8 930 1 1 6 PRO HD3 H 10.941 6.763 1.575 1.00 . A A . 6 PRO HD3 1 1
8 931 1 1 6 PRO HG2 H 10.328 9.390 2.850 1.00 . A A . 6 PRO HG2 1 1
8 932 1 1 6 PRO HG3 H 11.296 8.037 3.463 1.00 . A A . 6 PRO HG3 1 1
8 933 1 1 6 PRO N N 8.941 7.408 1.351 1.00 . A A . 6 PRO N 1 1
8 934 1 1 6 PRO O O 6.329 8.982 3.301 1.00 . A A . 6 PRO O 1 1
8 935 1 1 7 TRP C C 5.659 10.675 0.191 1.00 . A A . 7 TRP C 1 1
8 936 1 1 7 TRP CA C 6.684 10.870 1.304 1.00 . A A . 7 TRP CA 1 1
8 937 1 1 7 TRP CB C 7.588 12.059 0.978 1.00 . A A . 7 TRP CB 1 1
8 938 1 1 7 TRP CD1 C 7.440 14.448 1.895 1.00 . A A . 7 TRP CD1 1 1
8 939 1 1 7 TRP CD2 C 7.810 12.884 3.455 1.00 . A A . 7 TRP CD2 1 1
8 940 1 1 7 TRP CE2 C 7.751 14.143 4.085 1.00 . A A . 7 TRP CE2 1 1
8 941 1 1 7 TRP CE3 C 8.033 11.749 4.238 1.00 . A A . 7 TRP CE3 1 1
8 942 1 1 7 TRP CG C 7.608 13.102 2.054 1.00 . A A . 7 TRP CG 1 1
8 943 1 1 7 TRP CH2 C 8.125 13.166 6.203 1.00 . A A . 7 TRP CH2 1 1
8 944 1 1 7 TRP CZ2 C 7.908 14.295 5.460 1.00 . A A . 7 TRP CZ2 1 1
8 945 1 1 7 TRP CZ3 C 8.189 11.902 5.603 1.00 . A A . 7 TRP CZ3 1 1
8 946 1 1 7 TRP H H 8.219 9.476 0.875 1.00 . A A . 7 TRP H 1 1
8 947 1 1 7 TRP HA H 6.161 11.069 2.228 1.00 . A A . 7 TRP HA 1 1
8 948 1 1 7 TRP HB2 H 8.599 11.707 0.837 1.00 . A A . 7 TRP HB2 1 1
8 949 1 1 7 TRP HB3 H 7.243 12.526 0.067 1.00 . A A . 7 TRP HB3 1 1
8 950 1 1 7 TRP HD1 H 7.268 14.931 0.945 1.00 . A A . 7 TRP HD1 1 1
8 951 1 1 7 TRP HE1 H 7.436 16.045 3.259 1.00 . A A . 7 TRP HE1 1 1
8 952 1 1 7 TRP HE3 H 8.086 10.766 3.795 1.00 . A A . 7 TRP HE3 1 1
8 953 1 1 7 TRP HH2 H 8.253 13.238 7.272 1.00 . A A . 7 TRP HH2 1 1
8 954 1 1 7 TRP HZ2 H 7.860 15.263 5.937 1.00 . A A . 7 TRP HZ2 1 1
8 955 1 1 7 TRP HZ3 H 8.363 11.036 6.225 1.00 . A A . 7 TRP HZ3 1 1
8 956 1 1 7 TRP N N 7.482 9.664 1.494 1.00 . A A . 7 TRP N 1 1
8 957 1 1 7 TRP NE1 N 7.525 15.080 3.112 1.00 . A A . 7 TRP NE1 1 1
8 958 1 1 7 TRP O O 5.935 10.955 -0.976 1.00 . A A . 7 TRP O 1 1
8 959 1 1 8 CYS C C 2.594 11.229 -0.633 1.00 . A A . 8 CYS C 1 1
8 960 1 1 8 CYS CA C 3.411 9.960 -0.408 1.00 . A A . 8 CYS CA 1 1
8 961 1 1 8 CYS CB C 2.498 8.830 0.071 1.00 . A A . 8 CYS CB 1 1
8 962 1 1 8 CYS H H 4.317 9.988 1.505 1.00 . A A . 8 CYS H 1 1
8 963 1 1 8 CYS HA H 3.868 9.670 -1.342 1.00 . A A . 8 CYS HA 1 1
8 964 1 1 8 CYS HB2 H 2.935 8.369 0.944 1.00 . A A . 8 CYS HB2 1 1
8 965 1 1 8 CYS HB3 H 1.534 9.242 0.332 1.00 . A A . 8 CYS HB3 1 1
8 966 1 1 8 CYS N N 4.477 10.193 0.559 1.00 . A A . 8 CYS N 1 1
8 967 1 1 8 CYS O O 2.998 12.113 -1.388 1.00 . A A . 8 CYS O 1 1
8 968 1 1 8 CYS SG S 2.224 7.520 -1.166 1.00 . A A . 8 CYS SG 1 1
9 969 1 1 1 GLY C C 1.193 1.559 -1.245 1.00 . A A . 1 GLY C 1 1
9 970 1 1 1 GLY CA C 1.483 0.185 -0.676 1.00 . A A . 1 GLY CA 1 1
9 971 1 1 1 GLY H1 H 1.485 0.874 1.326 1.00 . A A . 1 GLY H1 1 1
9 972 1 1 1 GLY HA2 H 2.263 -0.279 -1.261 1.00 . A A . 1 GLY HA2 1 1
9 973 1 1 1 GLY HA3 H 0.589 -0.417 -0.746 1.00 . A A . 1 GLY HA3 1 1
9 974 1 1 1 GLY N N 1.905 0.236 0.712 1.00 . A A . 1 GLY N 1 1
9 975 1 1 1 GLY O O 0.035 1.961 -1.358 1.00 . A A . 1 GLY O 1 1
9 976 1 1 2 CYS C C 3.429 4.126 -2.722 1.00 . A A . 2 CYS C 1 1
9 977 1 1 2 CYS CA C 2.102 3.623 -2.161 1.00 . A A . 2 CYS CA 1 1
9 978 1 1 2 CYS CB C 1.588 4.590 -1.093 1.00 . A A . 2 CYS CB 1 1
9 979 1 1 2 CYS H H 3.147 1.909 -1.489 1.00 . A A . 2 CYS H 1 1
9 980 1 1 2 CYS HA H 1.383 3.571 -2.964 1.00 . A A . 2 CYS HA 1 1
9 981 1 1 2 CYS HB2 H 0.581 4.311 -0.821 1.00 . A A . 2 CYS HB2 1 1
9 982 1 1 2 CYS HB3 H 2.223 4.524 -0.222 1.00 . A A . 2 CYS HB3 1 1
9 983 1 1 2 CYS N N 2.248 2.284 -1.603 1.00 . A A . 2 CYS N 1 1
9 984 1 1 2 CYS O O 4.224 4.739 -2.010 1.00 . A A . 2 CYS O 1 1
9 985 1 1 2 CYS SG S 1.554 6.333 -1.623 1.00 . A A . 2 CYS SG 1 1
9 986 1 1 3 VAL C C 5.147 5.774 -4.440 1.00 . A A . 3 VAL C 1 1
9 987 1 1 3 VAL CA C 4.892 4.287 -4.661 1.00 . A A . 3 VAL CA 1 1
9 988 1 1 3 VAL CB C 4.846 4.006 -6.175 1.00 . A A . 3 VAL CB 1 1
9 989 1 1 3 VAL CG1 C 5.054 2.524 -6.449 1.00 . A A . 3 VAL CG1 1 1
9 990 1 1 3 VAL CG2 C 3.529 4.486 -6.766 1.00 . A A . 3 VAL CG2 1 1
9 991 1 1 3 VAL H H 2.991 3.368 -4.520 1.00 . A A . 3 VAL H 1 1
9 992 1 1 3 VAL HA H 5.710 3.724 -4.236 1.00 . A A . 3 VAL HA 1 1
9 993 1 1 3 VAL HB H 5.648 4.553 -6.647 1.00 . A A . 3 VAL HB 1 1
9 994 1 1 3 VAL HG11 H 4.893 2.327 -7.499 1.00 . A A . 3 VAL HG11 1 1
9 995 1 1 3 VAL HG12 H 6.062 2.246 -6.179 1.00 . A A . 3 VAL HG12 1 1
9 996 1 1 3 VAL HG13 H 4.352 1.948 -5.864 1.00 . A A . 3 VAL HG13 1 1
9 997 1 1 3 VAL HG21 H 2.922 3.634 -7.034 1.00 . A A . 3 VAL HG21 1 1
9 998 1 1 3 VAL HG22 H 3.005 5.086 -6.036 1.00 . A A . 3 VAL HG22 1 1
9 999 1 1 3 VAL HG23 H 3.724 5.080 -7.647 1.00 . A A . 3 VAL HG23 1 1
9 1000 1 1 3 VAL N N 3.662 3.861 -4.004 1.00 . A A . 3 VAL N 1 1
9 1001 1 1 3 VAL O O 4.436 6.599 -5.012 1.00 . A A . 3 VAL O 1 1
9 1002 1 1 4 . C C 6.992 7.576 -1.901 1.00 . A A . 4 DLE C 1 1
9 1003 1 1 4 . CA C 6.479 7.466 -3.338 1.00 . A A . 4 DLE CA 1 1
9 1004 1 1 4 . CB C 7.457 8.007 -4.383 1.00 . A A . 4 DLE CB 1 1
9 1005 1 1 4 . CD1 C 6.841 7.907 -6.827 1.00 . A A . 4 DLE CD1 1 1
9 1006 1 1 4 . CD2 C 7.522 10.111 -5.771 1.00 . A A . 4 DLE CD2 1 1
9 1007 1 1 4 . CG C 6.832 8.762 -5.558 1.00 . A A . 4 DLE CG 1 1
9 1008 1 1 4 . H H 6.717 5.404 -3.162 1.00 . A A . 4 DLE H 1 1
9 1009 1 1 4 . HA H 5.561 8.048 -3.424 1.00 . A A . 4 DLE HA 1 1
9 1010 1 1 4 . HB2 H 8.033 7.171 -4.780 1.00 . A A . 4 DLE HB2 1 1
9 1011 1 1 4 . HB3 H 8.161 8.671 -3.883 1.00 . A A . 4 DLE HB3 1 1
9 1012 1 1 4 . HD11 H 6.064 8.257 -7.506 1.00 . A A . 4 DLE HD11 1 1
9 1013 1 1 4 . HD12 H 6.653 6.866 -6.565 1.00 . A A . 4 DLE HD12 1 1
9 1014 1 1 4 . HD13 H 7.813 7.989 -7.314 1.00 . A A . 4 DLE HD13 1 1
9 1015 1 1 4 . HD21 H 6.881 10.756 -6.373 1.00 . A A . 4 DLE HD21 1 1
9 1016 1 1 4 . HD22 H 8.470 9.957 -6.288 1.00 . A A . 4 DLE HD22 1 1
9 1017 1 1 4 . HD23 H 7.707 10.581 -4.806 1.00 . A A . 4 DLE HD23 1 1
9 1018 1 1 4 . HG H 5.790 8.968 -5.316 1.00 . A A . 4 DLE HG 1 1
9 1019 1 1 4 . N N 6.144 6.081 -3.624 1.00 . A A . 4 DLE N 1 1
9 1020 1 1 4 . O O 7.728 8.494 -1.540 1.00 . A A . 4 DLE O 1 1
9 1021 1 1 5 TYR C C 8.496 6.716 0.456 1.00 . A A . 5 TYR C 1 1
9 1022 1 1 5 TYR CA C 6.983 6.578 0.318 1.00 . A A . 5 TYR CA 1 1
9 1023 1 1 5 TYR CB C 6.517 5.277 0.972 1.00 . A A . 5 TYR CB 1 1
9 1024 1 1 5 TYR CD1 C 4.243 6.246 1.490 1.00 . A A . 5 TYR CD1 1 1
9 1025 1 1 5 TYR CD2 C 5.251 4.815 3.108 1.00 . A A . 5 TYR CD2 1 1
9 1026 1 1 5 TYR CE1 C 3.143 6.407 2.311 1.00 . A A . 5 TYR CE1 1 1
9 1027 1 1 5 TYR CE2 C 4.155 4.969 3.934 1.00 . A A . 5 TYR CE2 1 1
9 1028 1 1 5 TYR CG C 5.315 5.449 1.873 1.00 . A A . 5 TYR CG 1 1
9 1029 1 1 5 TYR CZ C 3.104 5.766 3.531 1.00 . A A . 5 TYR CZ 1 1
9 1030 1 1 5 TYR H H 5.997 5.908 -1.430 1.00 . A A . 5 TYR H 1 1
9 1031 1 1 5 TYR HA H 6.510 7.411 0.819 1.00 . A A . 5 TYR HA 1 1
9 1032 1 1 5 TYR HB2 H 6.254 4.569 0.201 1.00 . A A . 5 TYR HB2 1 1
9 1033 1 1 5 TYR HB3 H 7.322 4.872 1.567 1.00 . A A . 5 TYR HB3 1 1
9 1034 1 1 5 TYR HD1 H 4.277 6.747 0.534 1.00 . A A . 5 TYR HD1 1 1
9 1035 1 1 5 TYR HD2 H 6.077 4.192 3.421 1.00 . A A . 5 TYR HD2 1 1
9 1036 1 1 5 TYR HE1 H 2.320 7.030 1.996 1.00 . A A . 5 TYR HE1 1 1
9 1037 1 1 5 TYR HE2 H 4.124 4.467 4.890 1.00 . A A . 5 TYR HE2 1 1
9 1038 1 1 5 TYR HH H 1.800 5.083 4.769 1.00 . A A . 5 TYR HH 1 1
9 1039 1 1 5 TYR N N 6.583 6.613 -1.083 1.00 . A A . 5 TYR N 1 1
9 1040 1 1 5 TYR O O 9.255 6.482 -0.484 1.00 . A A . 5 TYR O 1 1
9 1041 1 1 5 TYR OH O 2.010 5.922 4.352 1.00 . A A . 5 TYR OH 1 1
9 1042 1 1 6 PRO C C 7.234 8.656 2.573 1.00 . A A . 6 PRO C 1 1
9 1043 1 1 6 PRO CA C 8.053 7.387 2.785 1.00 . A A . 6 PRO CA 1 1
9 1044 1 1 6 PRO CB C 9.013 7.561 3.965 1.00 . A A . 6 PRO CB 1 1
9 1045 1 1 6 PRO CD C 10.363 7.300 2.010 1.00 . A A . 6 PRO CD 1 1
9 1046 1 1 6 PRO CG C 10.299 7.987 3.346 1.00 . A A . 6 PRO CG 1 1
9 1047 1 1 6 PRO HA H 7.387 6.559 2.980 1.00 . A A . 6 PRO HA 1 1
9 1048 1 1 6 PRO HB2 H 8.628 8.316 4.637 1.00 . A A . 6 PRO HB2 1 1
9 1049 1 1 6 PRO HB3 H 9.118 6.624 4.490 1.00 . A A . 6 PRO HB3 1 1
9 1050 1 1 6 PRO HD2 H 10.857 7.930 1.285 1.00 . A A . 6 PRO HD2 1 1
9 1051 1 1 6 PRO HD3 H 10.872 6.351 2.097 1.00 . A A . 6 PRO HD3 1 1
9 1052 1 1 6 PRO HG2 H 10.309 9.058 3.218 1.00 . A A . 6 PRO HG2 1 1
9 1053 1 1 6 PRO HG3 H 11.126 7.674 3.967 1.00 . A A . 6 PRO HG3 1 1
9 1054 1 1 6 PRO N N 8.947 7.105 1.658 1.00 . A A . 6 PRO N 1 1
9 1055 1 1 6 PRO O O 6.267 8.909 3.291 1.00 . A A . 6 PRO O 1 1
9 1056 1 1 7 TRP C C 6.004 10.515 0.077 1.00 . A A . 7 TRP C 1 1
9 1057 1 1 7 TRP CA C 6.929 10.692 1.276 1.00 . A A . 7 TRP CA 1 1
9 1058 1 1 7 TRP CB C 7.934 11.811 1.000 1.00 . A A . 7 TRP CB 1 1
9 1059 1 1 7 TRP CD1 C 7.853 14.239 1.817 1.00 . A A . 7 TRP CD1 1 1
9 1060 1 1 7 TRP CD2 C 7.974 12.718 3.457 1.00 . A A . 7 TRP CD2 1 1
9 1061 1 1 7 TRP CE2 C 7.936 14.002 4.036 1.00 . A A . 7 TRP CE2 1 1
9 1062 1 1 7 TRP CE3 C 8.049 11.603 4.296 1.00 . A A . 7 TRP CE3 1 1
9 1063 1 1 7 TRP CG C 7.919 12.892 2.037 1.00 . A A . 7 TRP CG 1 1
9 1064 1 1 7 TRP CH2 C 8.046 13.089 6.212 1.00 . A A . 7 TRP CH2 1 1
9 1065 1 1 7 TRP CZ2 C 7.972 14.198 5.414 1.00 . A A . 7 TRP CZ2 1 1
9 1066 1 1 7 TRP CZ3 C 8.085 11.800 5.664 1.00 . A A . 7 TRP CZ3 1 1
9 1067 1 1 7 TRP H H 8.406 9.193 1.045 1.00 . A A . 7 TRP H 1 1
9 1068 1 1 7 TRP HA H 6.335 10.959 2.138 1.00 . A A . 7 TRP HA 1 1
9 1069 1 1 7 TRP HB2 H 8.929 11.393 0.968 1.00 . A A . 7 TRP HB2 1 1
9 1070 1 1 7 TRP HB3 H 7.707 12.261 0.044 1.00 . A A . 7 TRP HB3 1 1
9 1071 1 1 7 TRP HD1 H 7.803 14.693 0.839 1.00 . A A . 7 TRP HD1 1 1
9 1072 1 1 7 TRP HE1 H 7.823 15.886 3.120 1.00 . A A . 7 TRP HE1 1 1
9 1073 1 1 7 TRP HE3 H 8.081 10.602 3.893 1.00 . A A . 7 TRP HE3 1 1
9 1074 1 1 7 TRP HH2 H 8.076 13.195 7.285 1.00 . A A . 7 TRP HH2 1 1
9 1075 1 1 7 TRP HZ2 H 7.942 15.185 5.852 1.00 . A A . 7 TRP HZ2 1 1
9 1076 1 1 7 TRP HZ3 H 8.144 10.950 6.328 1.00 . A A . 7 TRP HZ3 1 1
9 1077 1 1 7 TRP N N 7.628 9.449 1.583 1.00 . A A . 7 TRP N 1 1
9 1078 1 1 7 TRP NE1 N 7.863 14.912 3.015 1.00 . A A . 7 TRP NE1 1 1
9 1079 1 1 7 TRP O O 6.406 10.731 -1.067 1.00 . A A . 7 TRP O 1 1
9 1080 1 1 8 CYS C C 3.071 11.220 -1.057 1.00 . A A . 8 CYS C 1 1
9 1081 1 1 8 CYS CA C 3.781 9.915 -0.713 1.00 . A A . 8 CYS CA 1 1
9 1082 1 1 8 CYS CB C 2.757 8.861 -0.287 1.00 . A A . 8 CYS CB 1 1
9 1083 1 1 8 CYS H H 4.502 9.965 1.277 1.00 . A A . 8 CYS H 1 1
9 1084 1 1 8 CYS HA H 4.305 9.562 -1.588 1.00 . A A . 8 CYS HA 1 1
9 1085 1 1 8 CYS HB2 H 3.081 8.409 0.639 1.00 . A A . 8 CYS HB2 1 1
9 1086 1 1 8 CYS HB3 H 1.802 9.340 -0.133 1.00 . A A . 8 CYS HB3 1 1
9 1087 1 1 8 CYS N N 4.764 10.121 0.344 1.00 . A A . 8 CYS N 1 1
9 1088 1 1 8 CYS O O 3.290 11.795 -2.124 1.00 . A A . 8 CYS O 1 1
9 1089 1 1 8 CYS SG S 2.519 7.523 -1.501 1.00 . A A . 8 CYS SG 1 1
10 1090 1 1 1 GLY C C 1.404 1.249 -1.800 1.00 . A A . 1 GLY C 1 1
10 1091 1 1 1 GLY CA C 1.788 -0.092 -1.205 1.00 . A A . 1 GLY CA 1 1
10 1092 1 1 1 GLY H1 H 3.423 -1.422 -1.406 1.00 . A A . 1 GLY H1 1 1
10 1093 1 1 1 GLY HA2 H 1.080 -0.837 -1.536 1.00 . A A . 1 GLY HA2 1 1
10 1094 1 1 1 GLY HA3 H 1.745 -0.021 -0.128 1.00 . A A . 1 GLY HA3 1 1
10 1095 1 1 1 GLY N N 3.123 -0.508 -1.594 1.00 . A A . 1 GLY N 1 1
10 1096 1 1 1 GLY O O 0.415 1.353 -2.527 1.00 . A A . 1 GLY O 1 1
10 1097 1 1 2 CYS C C 3.162 4.205 -2.658 1.00 . A A . 2 CYS C 1 1
10 1098 1 1 2 CYS CA C 1.920 3.619 -1.994 1.00 . A A . 2 CYS CA 1 1
10 1099 1 1 2 CYS CB C 1.456 4.533 -0.858 1.00 . A A . 2 CYS CB 1 1
10 1100 1 1 2 CYS H H 2.958 2.132 -0.904 1.00 . A A . 2 CYS H 1 1
10 1101 1 1 2 CYS HA H 1.133 3.547 -2.731 1.00 . A A . 2 CYS HA 1 1
10 1102 1 1 2 CYS HB2 H 0.493 4.194 -0.504 1.00 . A A . 2 CYS HB2 1 1
10 1103 1 1 2 CYS HB3 H 2.170 4.481 -0.050 1.00 . A A . 2 CYS HB3 1 1
10 1104 1 1 2 CYS N N 2.184 2.278 -1.489 1.00 . A A . 2 CYS N 1 1
10 1105 1 1 2 CYS O O 3.987 4.844 -2.004 1.00 . A A . 2 CYS O 1 1
10 1106 1 1 2 CYS SG S 1.284 6.283 -1.335 1.00 . A A . 2 CYS SG 1 1
10 1107 1 1 3 VAL C C 4.628 5.983 -4.476 1.00 . A A . 3 VAL C 1 1
10 1108 1 1 3 VAL CA C 4.430 4.491 -4.716 1.00 . A A . 3 VAL CA 1 1
10 1109 1 1 3 VAL CB C 4.260 4.243 -6.227 1.00 . A A . 3 VAL CB 1 1
10 1110 1 1 3 VAL CG1 C 4.517 2.781 -6.561 1.00 . A A . 3 VAL CG1 1 1
10 1111 1 1 3 VAL CG2 C 2.872 4.667 -6.683 1.00 . A A . 3 VAL CG2 1 1
10 1112 1 1 3 VAL H H 2.600 3.468 -4.430 1.00 . A A . 3 VAL H 1 1
10 1113 1 1 3 VAL HA H 5.312 3.962 -4.383 1.00 . A A . 3 VAL HA 1 1
10 1114 1 1 3 VAL HB H 4.988 4.843 -6.754 1.00 . A A . 3 VAL HB 1 1
10 1115 1 1 3 VAL HG11 H 5.581 2.610 -6.630 1.00 . A A . 3 VAL HG11 1 1
10 1116 1 1 3 VAL HG12 H 4.099 2.156 -5.785 1.00 . A A . 3 VAL HG12 1 1
10 1117 1 1 3 VAL HG13 H 4.052 2.541 -7.506 1.00 . A A . 3 VAL HG13 1 1
10 1118 1 1 3 VAL HG21 H 2.955 5.287 -7.563 1.00 . A A . 3 VAL HG21 1 1
10 1119 1 1 3 VAL HG22 H 2.286 3.789 -6.913 1.00 . A A . 3 VAL HG22 1 1
10 1120 1 1 3 VAL HG23 H 2.388 5.225 -5.894 1.00 . A A . 3 VAL HG23 1 1
10 1121 1 1 3 VAL N N 3.290 3.984 -3.963 1.00 . A A . 3 VAL N 1 1
10 1122 1 1 3 VAL O O 3.826 6.782 -4.957 1.00 . A A . 3 VAL O 1 1
10 1123 1 1 4 . C C 6.605 7.821 -2.066 1.00 . A A . 4 DLE C 1 1
10 1124 1 1 4 . CA C 5.969 7.717 -3.454 1.00 . A A . 4 DLE CA 1 1
10 1125 1 1 4 . CB C 6.819 8.334 -4.567 1.00 . A A . 4 DLE CB 1 1
10 1126 1 1 4 . CD1 C 9.257 8.391 -3.926 1.00 . A A . 4 DLE CD1 1 1
10 1127 1 1 4 . CD2 C 8.570 7.709 -6.271 1.00 . A A . 4 DLE CD2 1 1
10 1128 1 1 4 . CG C 8.196 7.704 -4.787 1.00 . A A . 4 DLE CG 1 1
10 1129 1 1 4 . H H 6.329 5.667 -3.360 1.00 . A A . 4 DLE H 1 1
10 1130 1 1 4 . HA H 5.020 8.251 -3.440 1.00 . A A . 4 DLE HA 1 1
10 1131 1 1 4 . HB2 H 6.957 9.393 -4.348 1.00 . A A . 4 DLE HB2 1 1
10 1132 1 1 4 . HB3 H 6.260 8.272 -5.501 1.00 . A A . 4 DLE HB3 1 1
10 1133 1 1 4 . HD11 H 9.294 7.916 -2.946 1.00 . A A . 4 DLE HD11 1 1
10 1134 1 1 4 . HD12 H 9.004 9.445 -3.809 1.00 . A A . 4 DLE HD12 1 1
10 1135 1 1 4 . HD13 H 10.230 8.303 -4.409 1.00 . A A . 4 DLE HD13 1 1
10 1136 1 1 4 . HD21 H 8.999 6.744 -6.540 1.00 . A A . 4 DLE HD21 1 1
10 1137 1 1 4 . HD22 H 9.300 8.496 -6.459 1.00 . A A . 4 DLE HD22 1 1
10 1138 1 1 4 . HD23 H 7.678 7.890 -6.870 1.00 . A A . 4 DLE HD23 1 1
10 1139 1 1 4 . HG H 8.150 6.662 -4.470 1.00 . A A . 4 DLE HG 1 1
10 1140 1 1 4 . N N 5.681 6.323 -3.747 1.00 . A A . 4 DLE N 1 1
10 1141 1 1 4 . O O 7.324 8.768 -1.747 1.00 . A A . 4 DLE O 1 1
10 1142 1 1 5 TYR C C 8.360 6.987 0.121 1.00 . A A . 5 TYR C 1 1
10 1143 1 1 5 TYR CA C 6.849 6.772 0.116 1.00 . A A . 5 TYR CA 1 1
10 1144 1 1 5 TYR CB C 6.511 5.433 0.772 1.00 . A A . 5 TYR CB 1 1
10 1145 1 1 5 TYR CD1 C 4.249 6.269 1.521 1.00 . A A . 5 TYR CD1 1 1
10 1146 1 1 5 TYR CD2 C 5.471 4.853 2.999 1.00 . A A . 5 TYR CD2 1 1
10 1147 1 1 5 TYR CE1 C 3.222 6.351 2.441 1.00 . A A . 5 TYR CE1 1 1
10 1148 1 1 5 TYR CE2 C 4.448 4.929 3.924 1.00 . A A . 5 TYR CE2 1 1
10 1149 1 1 5 TYR CG C 5.390 5.519 1.782 1.00 . A A . 5 TYR CG 1 1
10 1150 1 1 5 TYR CZ C 3.326 5.679 3.641 1.00 . A A . 5 TYR CZ 1 1
10 1151 1 1 5 TYR H H 5.743 6.092 -1.554 1.00 . A A . 5 TYR H 1 1
10 1152 1 1 5 TYR HA H 6.382 7.566 0.680 1.00 . A A . 5 TYR HA 1 1
10 1153 1 1 5 TYR HB2 H 6.215 4.730 0.009 1.00 . A A . 5 TYR HB2 1 1
10 1154 1 1 5 TYR HB3 H 7.387 5.057 1.280 1.00 . A A . 5 TYR HB3 1 1
10 1155 1 1 5 TYR HD1 H 4.170 6.794 0.580 1.00 . A A . 5 TYR HD1 1 1
10 1156 1 1 5 TYR HD2 H 6.351 4.267 3.218 1.00 . A A . 5 TYR HD2 1 1
10 1157 1 1 5 TYR HE1 H 2.343 6.938 2.219 1.00 . A A . 5 TYR HE1 1 1
10 1158 1 1 5 TYR HE2 H 4.529 4.403 4.864 1.00 . A A . 5 TYR HE2 1 1
10 1159 1 1 5 TYR HH H 2.406 5.059 5.211 1.00 . A A . 5 TYR HH 1 1
10 1160 1 1 5 TYR N N 6.322 6.818 -1.242 1.00 . A A . 5 TYR N 1 1
10 1161 1 1 5 TYR O O 9.041 6.816 -0.890 1.00 . A A . 5 TYR O 1 1
10 1162 1 1 5 TYR OH O 2.305 5.759 4.561 1.00 . A A . 5 TYR OH 1 1
10 1163 1 1 6 PRO C C 7.199 8.807 2.396 1.00 . A A . 6 PRO C 1 1
10 1164 1 1 6 PRO CA C 8.097 7.579 2.499 1.00 . A A . 6 PRO CA 1 1
10 1165 1 1 6 PRO CB C 9.151 7.776 3.592 1.00 . A A . 6 PRO CB 1 1
10 1166 1 1 6 PRO CD C 10.329 7.633 1.516 1.00 . A A . 6 PRO CD 1 1
10 1167 1 1 6 PRO CG C 10.352 8.283 2.872 1.00 . A A . 6 PRO CG 1 1
10 1168 1 1 6 PRO HA H 7.495 6.712 2.729 1.00 . A A . 6 PRO HA 1 1
10 1169 1 1 6 PRO HB2 H 8.791 8.493 4.316 1.00 . A A . 6 PRO HB2 1 1
10 1170 1 1 6 PRO HB3 H 9.351 6.833 4.078 1.00 . A A . 6 PRO HB3 1 1
10 1171 1 1 6 PRO HD2 H 10.722 8.305 0.768 1.00 . A A . 6 PRO HD2 1 1
10 1172 1 1 6 PRO HD3 H 10.891 6.710 1.531 1.00 . A A . 6 PRO HD3 1 1
10 1173 1 1 6 PRO HG2 H 10.296 9.357 2.774 1.00 . A A . 6 PRO HG2 1 1
10 1174 1 1 6 PRO HG3 H 11.247 8.001 3.407 1.00 . A A . 6 PRO HG3 1 1
10 1175 1 1 6 PRO N N 8.898 7.371 1.288 1.00 . A A . 6 PRO N 1 1
10 1176 1 1 6 PRO O O 6.290 8.992 3.205 1.00 . A A . 6 PRO O 1 1
10 1177 1 1 7 TRP C C 5.654 10.656 0.074 1.00 . A A . 7 TRP C 1 1
10 1178 1 1 7 TRP CA C 6.674 10.854 1.190 1.00 . A A . 7 TRP CA 1 1
10 1179 1 1 7 TRP CB C 7.592 12.031 0.857 1.00 . A A . 7 TRP CB 1 1
10 1180 1 1 7 TRP CD1 C 7.462 14.431 1.746 1.00 . A A . 7 TRP CD1 1 1
10 1181 1 1 7 TRP CD2 C 7.809 12.881 3.325 1.00 . A A . 7 TRP CD2 1 1
10 1182 1 1 7 TRP CE2 C 7.758 14.147 3.941 1.00 . A A . 7 TRP CE2 1 1
10 1183 1 1 7 TRP CE3 C 8.017 11.752 4.122 1.00 . A A . 7 TRP CE3 1 1
10 1184 1 1 7 TRP CG C 7.617 13.085 1.921 1.00 . A A . 7 TRP CG 1 1
10 1185 1 1 7 TRP CH2 C 8.112 13.190 6.072 1.00 . A A . 7 TRP CH2 1 1
10 1186 1 1 7 TRP CZ2 C 7.910 14.312 5.315 1.00 . A A . 7 TRP CZ2 1 1
10 1187 1 1 7 TRP CZ3 C 8.167 11.918 5.486 1.00 . A A . 7 TRP CZ3 1 1
10 1188 1 1 7 TRP H H 8.198 9.441 0.785 1.00 . A A . 7 TRP H 1 1
10 1189 1 1 7 TRP HA H 6.148 11.068 2.109 1.00 . A A . 7 TRP HA 1 1
10 1190 1 1 7 TRP HB2 H 8.600 11.667 0.724 1.00 . A A . 7 TRP HB2 1 1
10 1191 1 1 7 TRP HB3 H 7.256 12.491 -0.062 1.00 . A A . 7 TRP HB3 1 1
10 1192 1 1 7 TRP HD1 H 7.300 14.905 0.790 1.00 . A A . 7 TRP HD1 1 1
10 1193 1 1 7 TRP HE1 H 7.467 16.043 3.093 1.00 . A A . 7 TRP HE1 1 1
10 1194 1 1 7 TRP HE3 H 8.062 10.764 3.690 1.00 . A A . 7 TRP HE3 1 1
10 1195 1 1 7 TRP HH2 H 8.235 13.272 7.140 1.00 . A A . 7 TRP HH2 1 1
10 1196 1 1 7 TRP HZ2 H 7.869 15.286 5.782 1.00 . A A . 7 TRP HZ2 1 1
10 1197 1 1 7 TRP HZ3 H 8.329 11.057 6.118 1.00 . A A . 7 TRP HZ3 1 1
10 1198 1 1 7 TRP N N 7.460 9.643 1.398 1.00 . A A . 7 TRP N 1 1
10 1199 1 1 7 TRP NE1 N 7.547 15.075 2.957 1.00 . A A . 7 TRP NE1 1 1
10 1200 1 1 7 TRP O O 5.939 10.921 -1.094 1.00 . A A . 7 TRP O 1 1
10 1201 1 1 8 CYS C C 2.599 11.230 -0.773 1.00 . A A . 8 CYS C 1 1
10 1202 1 1 8 CYS CA C 3.403 9.956 -0.530 1.00 . A A . 8 CYS CA 1 1
10 1203 1 1 8 CYS CB C 2.476 8.840 -0.044 1.00 . A A . 8 CYS CB 1 1
10 1204 1 1 8 CYS H H 4.298 9.997 1.388 1.00 . A A . 8 CYS H 1 1
10 1205 1 1 8 CYS HA H 3.862 9.652 -1.458 1.00 . A A . 8 CYS HA 1 1
10 1206 1 1 8 CYS HB2 H 2.904 8.385 0.838 1.00 . A A . 8 CYS HB2 1 1
10 1207 1 1 8 CYS HB3 H 1.515 9.265 0.208 1.00 . A A . 8 CYS HB3 1 1
10 1208 1 1 8 CYS N N 4.465 10.190 0.441 1.00 . A A . 8 CYS N 1 1
10 1209 1 1 8 CYS O O 1.472 11.180 -1.268 1.00 . A A . 8 CYS O 1 1
10 1210 1 1 8 CYS SG S 2.196 7.520 -1.267 1.00 . A A . 8 CYS SG 1 1
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