Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
634663 | 6hvb RC | 34319 | cing | 4-filtered-FRED | STAR | entry | full | 41 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6hvb
# This FRED archive file contains, for PDB entry <6hvb>:
#
# - 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_6hvb
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6hvb
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 1075.26
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 $Urotensin_2 A . 1 1
stop_
save_
save_Urotensin_2
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Urotensin 2"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code DCFXKYCV
_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 ASP . 1 1
2 CYS . 1 1
3 PHE . 1 1
4 . $. 1 1
5 LYS . 1 1
6 TYR . 1 1
7 CYS . 1 1
8 VAL . 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
ASP 1 1 1 1
CYS 2 2 1 1
PHE 3 3 1 1
. 4 4 1 1
LYS 5 5 1 1
TYR 6 6 1 1
CYS 7 7 1 1
VAL 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_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_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 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 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 1 ASP HA . 4 ASP HA 1 1
1 1 2 1 1 2 CYS H . 5 CYS HN 1 1
2 1 1 1 1 1 ASP QB . 4 ASP QB 1 1
2 1 2 1 1 2 CYS H . 5 CYS HN 1 1
3 1 1 1 1 1 ASP QB . 4 ASP QB 1 1
3 1 2 1 1 3 PHE QD . 6 PHE QD 1 1
4 1 1 1 1 1 ASP QB . 4 ASP QB 1 1
4 1 2 1 1 8 VAL QG . 11 VAL QQG 1 1
5 1 1 1 1 2 CYS H . 5 CYS HN 1 1
5 1 2 1 1 2 CYS HB2 . 5 CYS HB2 1 1
6 1 1 1 1 2 CYS H . 5 CYS HN 1 1
6 1 2 1 1 2 CYS QB . 5 CYS QB 1 1
7 1 1 1 1 2 CYS H . 5 CYS HN 1 1
7 1 2 1 1 2 CYS HB3 . 5 CYS HB3 1 1
8 1 1 1 1 2 CYS HA . 5 CYS HA 1 1
8 1 2 1 1 3 PHE H . 6 PHE HN 1 1
9 1 1 1 1 2 CYS HA . 5 CYS HA 1 1
9 1 2 1 1 3 PHE QD . 6 PHE QD 1 1
10 1 1 1 1 2 CYS HA . 5 CYS HA 1 1
10 1 2 1 1 7 CYS HA . 10 CYS HA 1 1
11 1 1 1 1 2 CYS HA . 5 CYS HA 1 1
11 1 2 1 1 8 VAL H . 11 VAL HN 1 1
12 1 1 1 1 2 CYS QB . 5 CYS QB 1 1
12 1 2 1 1 3 PHE H . 6 PHE HN 1 1
13 1 1 1 1 3 PHE H . 6 PHE HN 1 1
13 1 2 1 1 3 PHE HB2 . 6 PHE HB2 1 1
14 1 1 1 1 3 PHE H . 6 PHE HN 1 1
14 1 2 1 1 3 PHE HB3 . 6 PHE HB3 1 1
15 1 1 1 1 3 PHE H . 6 PHE HN 1 1
15 1 2 1 1 6 TYR H . 9 TYR HN 1 1
16 1 1 1 1 3 PHE H . 6 PHE HN 1 1
16 1 2 1 1 7 CYS HA . 10 CYS HA 1 1
17 1 1 1 1 5 LYS H . 8 LYS HN 1 1
17 1 2 1 1 5 LYS HB2 . 8 LYS HB2 1 1
18 1 1 1 1 5 LYS H . 8 LYS HN 1 1
18 1 2 1 1 5 LYS HB3 . 8 LYS HB3 1 1
19 1 1 1 1 5 LYS H . 8 LYS HN 1 1
19 1 2 1 1 5 LYS HG2 . 8 LYS HG2 1 1
20 1 1 1 1 5 LYS H . 8 LYS HN 1 1
20 1 2 1 1 5 LYS QG . 8 LYS QG 1 1
21 1 1 1 1 5 LYS H . 8 LYS HN 1 1
21 1 2 1 1 5 LYS HG3 . 8 LYS HG3 1 1
22 1 1 1 1 5 LYS H . 8 LYS HN 1 1
22 1 2 1 1 6 TYR H . 9 TYR HN 1 1
23 1 1 1 1 5 LYS H . 8 LYS HN 1 1
23 1 2 1 1 6 TYR QD . 9 TYR QD 1 1
24 1 1 1 1 5 LYS HA . 8 LYS HA 1 1
24 1 2 1 1 6 TYR H . 9 TYR HN 1 1
25 1 1 1 1 5 LYS HE2 . 8 LYS HE2 1 1
25 1 2 1 1 6 TYR QE . 9 TYR QE 1 1
26 1 1 1 1 5 LYS HE3 . 8 LYS HE3 1 1
26 1 2 1 1 6 TYR QE . 9 TYR QE 1 1
27 1 1 1 1 5 LYS HG2 . 8 LYS HG2 1 1
27 1 2 1 1 6 TYR H . 9 TYR HN 1 1
28 1 1 1 1 5 LYS HG2 . 8 LYS HG2 1 1
28 1 2 1 1 6 TYR QD . 9 TYR QD 1 1
29 1 1 1 1 5 LYS HG2 . 8 LYS HG2 1 1
29 1 2 1 1 6 TYR QE . 9 TYR QE 1 1
30 1 1 1 1 5 LYS HG3 . 8 LYS HG3 1 1
30 1 2 1 1 6 TYR H . 9 TYR HN 1 1
31 1 1 1 1 5 LYS HG3 . 8 LYS HG3 1 1
31 1 2 1 1 6 TYR QD . 9 TYR QD 1 1
32 1 1 1 1 5 LYS HG3 . 8 LYS HG3 1 1
32 1 2 1 1 6 TYR QE . 9 TYR QE 1 1
33 1 1 1 1 6 TYR H . 9 TYR HN 1 1
33 1 2 1 1 6 TYR HB2 . 9 TYR HB2 1 1
34 1 1 1 1 6 TYR H . 9 TYR HN 1 1
34 1 2 1 1 6 TYR QB . 9 TYR QB 1 1
35 1 1 1 1 6 TYR H . 9 TYR HN 1 1
35 1 2 1 1 6 TYR HB3 . 9 TYR HB3 1 1
36 1 1 1 1 6 TYR HA . 9 TYR HA 1 1
36 1 2 1 1 7 CYS H . 10 CYS HN 1 1
37 1 1 1 1 6 TYR QB . 9 TYR QB 1 1
37 1 2 1 1 7 CYS H . 10 CYS HN 1 1
38 1 1 1 1 6 TYR QD . 9 TYR QD 1 1
38 1 2 1 1 7 CYS H . 10 CYS HN 1 1
39 1 1 1 1 7 CYS HA . 10 CYS HA 1 1
39 1 2 1 1 8 VAL QG . 11 VAL QQG 1 1
40 1 1 1 1 7 CYS QB . 10 CYS QB 1 1
40 1 2 1 1 8 VAL QG . 11 VAL QQG 1 1
41 1 1 1 1 8 VAL H . 11 VAL HN 1 1
41 1 2 1 1 8 VAL HB . 11 VAL HB 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 . . . . . . . 2.8 1 1
2 1 . . . . . . . 4.61 1 1
3 1 . . . . . . . 5.5 1 1
4 1 . . . . . . . 8.5 1 1
5 1 . . . . . . . 3.55 1 1
6 1 . . . . . . . 3.04 1 1
7 1 . . . . . . . 3.55 1 1
8 1 . . . . . . . 2.74 1 1
9 1 . . . . . . . 7.62 1 1
10 1 . . . . . . . 2.86 1 1
11 1 . . . . . . . 3.55 1 1
12 1 . . . . . . . 3.1 1 1
13 1 . . . . . . . 3.45 1 1
14 1 . . . . . . . 3.45 1 1
15 1 . . . . . . . 3.76 1 1
16 1 . . . . . . . 3.61 1 1
17 1 . . . . . . . 3.45 1 1
18 1 . . . . . . . 3.45 1 1
19 1 . . . . . . . 4.26 1 1
20 1 . . . . . . . 3.49 1 1
21 1 . . . . . . . 4.26 1 1
22 1 . . . . . . . 3.24 1 1
23 1 . . . . . . . 7.64 1 1
24 1 . . . . . . . 3.52 1 1
25 1 . . . . . . . 7.63 1 1
26 1 . . . . . . . 7.63 1 1
27 1 . . . . . . . 5.5 1 1
28 1 . . . . . . . 7.64 1 1
29 1 . . . . . . . 7.63 1 1
30 1 . . . . . . . 5.5 1 1
31 1 . . . . . . . 7.64 1 1
32 1 . . . . . . . 7.63 1 1
33 1 . . . . . . . 3.27 1 1
34 1 . . . . . . . 2.79 1 1
35 1 . . . . . . . 3.27 1 1
36 1 . . . . . . . 2.77 1 1
37 1 . . . . . . . 3.43 1 1
38 1 . . . . . . . 7.64 1 1
39 1 . . . . . . . 7.62 1 1
40 1 . . . . . . . 8.5 1 1
41 1 . . . . . . . 3.89 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 ASP C C -1.847 -5.674 -0.112 1.00 . A A . 4 ASP C 1 1
1 2 1 1 1 ASP CA C -2.461 -6.936 0.567 1.00 . A A . 4 ASP CA 1 1
1 3 1 1 1 ASP CB C -3.789 -6.605 1.295 1.00 . A A . 4 ASP CB 1 1
1 4 1 1 1 ASP CG C -4.537 -7.823 1.840 1.00 . A A . 4 ASP CG 1 1
1 5 1 1 1 ASP H1 H -2.046 -8.235 2.123 1.00 . A A . 4 ASP H1 1 1
1 6 1 1 1 ASP H2 H -0.647 -7.948 1.142 1.00 . A A . 4 ASP H2 1 1
1 7 1 1 1 ASP H3 H -1.124 -6.841 2.185 1.00 . A A . 4 ASP H3 1 1
1 8 1 1 1 ASP HA H -2.674 -7.698 -0.210 1.00 . A A . 4 ASP HA 1 1
1 9 1 1 1 ASP HB2 H -3.622 -5.894 2.126 1.00 . A A . 4 ASP HB2 1 1
1 10 1 1 1 ASP HB3 H -4.469 -6.072 0.604 1.00 . A A . 4 ASP HB3 1 1
1 11 1 1 1 ASP N N -1.535 -7.539 1.551 1.00 . A A . 4 ASP N 1 1
1 12 1 1 1 ASP O O -1.314 -4.793 0.575 1.00 . A A . 4 ASP O 1 1
1 13 1 1 1 ASP OD1 O -5.729 -8.000 1.523 1.00 . A A . 4 ASP OD1 1 1
1 14 1 1 1 ASP OD2 O -3.904 -8.617 2.574 1.00 . A A . 4 ASP OD2 1 1
1 15 1 1 2 CYS C C -2.493 -3.162 -2.092 1.00 . A A . 5 CYS C 1 1
1 16 1 1 2 CYS CA C -1.480 -4.348 -2.176 1.00 . A A . 5 CYS CA 1 1
1 17 1 1 2 CYS CB C -1.101 -4.736 -3.615 1.00 . A A . 5 CYS CB 1 1
1 18 1 1 2 CYS H H -2.432 -6.313 -1.947 1.00 . A A . 5 CYS H 1 1
1 19 1 1 2 CYS HA H -0.541 -4.028 -1.691 1.00 . A A . 5 CYS HA 1 1
1 20 1 1 2 CYS HB2 H -1.967 -5.139 -4.169 1.00 . A A . 5 CYS HB2 1 1
1 21 1 1 2 CYS HB3 H -0.766 -3.836 -4.161 1.00 . A A . 5 CYS HB3 1 1
1 22 1 1 2 CYS N N -1.948 -5.558 -1.453 1.00 . A A . 5 CYS N 1 1
1 23 1 1 2 CYS O O -3.695 -3.305 -2.333 1.00 . A A . 5 CYS O 1 1
1 24 1 1 2 CYS SG S 0.261 -5.930 -3.598 1.00 . A A . 5 CYS SG 1 1
1 25 1 1 3 PHE C C -2.041 0.453 -1.110 1.00 . A A . 6 PHE C 1 1
1 26 1 1 3 PHE CA C -2.808 -0.923 -1.047 1.00 . A A . 6 PHE CA 1 1
1 27 1 1 3 PHE CB C -3.145 -1.335 0.422 1.00 . A A . 6 PHE CB 1 1
1 28 1 1 3 PHE CD1 C -5.456 -0.411 0.965 1.00 . A A . 6 PHE CD1 1 1
1 29 1 1 3 PHE CD2 C -3.543 0.558 2.077 1.00 . A A . 6 PHE CD2 1 1
1 30 1 1 3 PHE CE1 C -6.293 0.488 1.623 1.00 . A A . 6 PHE CE1 1 1
1 31 1 1 3 PHE CE2 C -4.380 1.456 2.735 1.00 . A A . 6 PHE CE2 1 1
1 32 1 1 3 PHE CG C -4.076 -0.376 1.181 1.00 . A A . 6 PHE CG 1 1
1 33 1 1 3 PHE CZ C -5.754 1.421 2.506 1.00 . A A . 6 PHE CZ 1 1
1 34 1 1 3 PHE H H -0.949 -1.988 -1.638 1.00 . A A . 6 PHE H 1 1
1 35 1 1 3 PHE HA H -3.761 -0.857 -1.603 1.00 . A A . 6 PHE HA 1 1
1 36 1 1 3 PHE HB2 H -3.610 -2.341 0.426 1.00 . A A . 6 PHE HB2 1 1
1 37 1 1 3 PHE HB3 H -2.205 -1.485 0.989 1.00 . A A . 6 PHE HB3 1 1
1 38 1 1 3 PHE HD1 H -5.883 -1.137 0.285 1.00 . A A . 6 PHE HD1 1 1
1 39 1 1 3 PHE HD2 H -2.478 0.588 2.258 1.00 . A A . 6 PHE HD2 1 1
1 40 1 1 3 PHE HE1 H -7.360 0.458 1.452 1.00 . A A . 6 PHE HE1 1 1
1 41 1 1 3 PHE HE2 H -3.968 2.175 3.427 1.00 . A A . 6 PHE HE2 1 1
1 42 1 1 3 PHE HZ H -6.405 2.117 3.018 1.00 . A A . 6 PHE HZ 1 1
1 43 1 1 3 PHE N N -1.983 -2.002 -1.654 1.00 . A A . 6 PHE N 1 1
1 44 1 1 3 PHE O O -0.926 0.497 -0.570 1.00 . A A . 6 PHE O 1 1
1 45 1 1 4 . C C -0.510 3.021 -2.227 1.00 . A A . 7 E9M C 1 1
1 46 1 1 4 . CA C -1.891 2.946 -1.483 1.00 . A A . 7 E9M CA 1 1
1 47 1 1 4 . CB C -1.958 3.363 0.032 1.00 . A A . 7 E9M CB 1 1
1 48 1 1 4 . CD1 C -1.175 5.891 -0.323 1.00 . A A . 7 E9M CD1 1 1
1 49 1 1 4 . CD2 C -1.375 5.204 1.782 1.00 . A A . 7 E9M CD2 1 1
1 50 1 1 4 . CE2 C -0.933 6.551 1.759 1.00 . A A . 7 E9M CE2 1 1
1 51 1 1 4 . CE3 C -1.578 4.537 3.019 1.00 . A A . 7 E9M CE3 1 1
1 52 1 1 4 . CG C -1.532 4.776 0.474 1.00 . A A . 7 E9M CG 1 1
1 53 1 1 4 . CH2 C -0.898 6.569 4.178 1.00 . A A . 7 E9M CH2 1 1
1 54 1 1 4 . CN2 C -3.886 1.579 -2.360 1.00 . A A . 7 E9M CN2 1 1
1 55 1 1 4 . CZ2 C -0.696 7.241 2.971 1.00 . A A . 7 E9M CZ2 1 1
1 56 1 1 4 . CZ3 C -1.330 5.236 4.201 1.00 . A A . 7 E9M CZ3 1 1
1 57 1 1 4 . HA H -2.490 3.713 -2.007 1.00 . A A . 7 E9M HA 1 1
1 58 1 1 4 . HB2 H -2.980 3.180 0.395 1.00 . A A . 7 E9M HB2 1 1
1 59 1 1 4 . HB3 H -1.359 2.643 0.619 1.00 . A A . 7 E9M HB3 1 1
1 60 1 1 4 . HD1 H -1.177 5.892 -1.405 1.00 . A A . 7 E9M HD1 1 1
1 61 1 1 4 . HE1 H -0.570 7.949 0.144 1.00 . A A . 7 E9M HE1 1 1
1 62 1 1 4 . HE3 H -1.910 3.509 3.046 1.00 . A A . 7 E9M HE3 1 1
1 63 1 1 4 . HH2 H -0.732 7.088 5.111 1.00 . A A . 7 E9M HH2 1 1
1 64 1 1 4 . HN1 H -4.146 2.545 -2.833 1.00 . A A . 7 E9M HN1 1 1
1 65 1 1 4 . HN2 H -3.895 0.832 -3.177 1.00 . A A . 7 E9M HN2 1 1
1 66 1 1 4 . HN3 H -4.715 1.337 -1.665 1.00 . A A . 7 E9M HN3 1 1
1 67 1 1 4 . HZ2 H -0.376 8.274 2.962 1.00 . A A . 7 E9M HZ2 1 1
1 68 1 1 4 . HZ3 H -1.484 4.742 5.150 1.00 . A A . 7 E9M HZ3 1 1
1 69 1 1 4 . N N -2.575 1.606 -1.655 1.00 . A A . 7 E9M N 1 1
1 70 1 1 4 . NE1 N -0.780 6.995 0.459 1.00 . A A . 7 E9M NE1 1 1
1 71 1 1 4 . O O -0.453 2.938 -3.456 1.00 . A A . 7 E9M O 1 1
1 72 1 1 5 LYS C C 2.689 1.670 -1.562 1.00 . A A . 8 LYS C 1 1
1 73 1 1 5 LYS CA C 1.981 3.014 -1.971 1.00 . A A . 8 LYS CA 1 1
1 74 1 1 5 LYS CB C 2.728 4.298 -1.498 1.00 . A A . 8 LYS CB 1 1
1 75 1 1 5 LYS CD C 3.463 5.900 0.379 1.00 . A A . 8 LYS CD 1 1
1 76 1 1 5 LYS CE C 3.850 6.126 1.854 1.00 . A A . 8 LYS CE 1 1
1 77 1 1 5 LYS CG C 2.943 4.488 0.030 1.00 . A A . 8 LYS CG 1 1
1 78 1 1 5 LYS H H 0.388 3.276 -0.479 1.00 . A A . 8 LYS H 1 1
1 79 1 1 5 LYS HA H 1.996 3.021 -3.079 1.00 . A A . 8 LYS HA 1 1
1 80 1 1 5 LYS HB2 H 3.715 4.312 -1.993 1.00 . A A . 8 LYS HB2 1 1
1 81 1 1 5 LYS HB3 H 2.206 5.182 -1.916 1.00 . A A . 8 LYS HB3 1 1
1 82 1 1 5 LYS HD2 H 4.355 6.109 -0.245 1.00 . A A . 8 LYS HD2 1 1
1 83 1 1 5 LYS HD3 H 2.721 6.660 0.057 1.00 . A A . 8 LYS HD3 1 1
1 84 1 1 5 LYS HE2 H 4.645 5.406 2.153 1.00 . A A . 8 LYS HE2 1 1
1 85 1 1 5 LYS HE3 H 4.331 7.125 1.946 1.00 . A A . 8 LYS HE3 1 1
1 86 1 1 5 LYS HG2 H 1.993 4.305 0.570 1.00 . A A . 8 LYS HG2 1 1
1 87 1 1 5 LYS HG3 H 3.638 3.709 0.401 1.00 . A A . 8 LYS HG3 1 1
1 88 1 1 5 LYS HZ1 H 2.712 6.676 3.565 1.00 . A A . 8 LYS HZ1 1 1
1 89 1 1 5 LYS HZ2 H 1.784 6.210 2.285 1.00 . A A . 8 LYS HZ2 1 1
1 90 1 1 5 LYS HZ3 H 2.590 5.086 3.189 1.00 . A A . 8 LYS HZ3 1 1
1 91 1 1 5 LYS N N 0.588 3.173 -1.476 1.00 . A A . 8 LYS N 1 1
1 92 1 1 5 LYS NZ N 2.675 6.030 2.767 1.00 . A A . 8 LYS NZ 1 1
1 93 1 1 5 LYS O O 3.921 1.597 -1.593 1.00 . A A . 8 LYS O 1 1
1 94 1 1 6 TYR C C 2.045 -1.867 -1.394 1.00 . A A . 9 TYR C 1 1
1 95 1 1 6 TYR CA C 2.491 -0.619 -0.573 1.00 . A A . 9 TYR CA 1 1
1 96 1 1 6 TYR CB C 1.939 -0.720 0.880 1.00 . A A . 9 TYR CB 1 1
1 97 1 1 6 TYR CD1 C 1.280 1.373 2.171 1.00 . A A . 9 TYR CD1 1 1
1 98 1 1 6 TYR CD2 C 3.557 0.590 2.366 1.00 . A A . 9 TYR CD2 1 1
1 99 1 1 6 TYR CE1 C 1.580 2.449 3.003 1.00 . A A . 9 TYR CE1 1 1
1 100 1 1 6 TYR CE2 C 3.854 1.667 3.200 1.00 . A A . 9 TYR CE2 1 1
1 101 1 1 6 TYR CG C 2.269 0.438 1.844 1.00 . A A . 9 TYR CG 1 1
1 102 1 1 6 TYR CZ C 2.864 2.596 3.515 1.00 . A A . 9 TYR CZ 1 1
1 103 1 1 6 TYR H H 0.934 0.827 -1.043 1.00 . A A . 9 TYR H 1 1
1 104 1 1 6 TYR HA H 3.599 -0.583 -0.531 1.00 . A A . 9 TYR HA 1 1
1 105 1 1 6 TYR HB2 H 0.842 -0.870 0.837 1.00 . A A . 9 TYR HB2 1 1
1 106 1 1 6 TYR HB3 H 2.308 -1.658 1.323 1.00 . A A . 9 TYR HB3 1 1
1 107 1 1 6 TYR HD1 H 0.279 1.269 1.777 1.00 . A A . 9 TYR HD1 1 1
1 108 1 1 6 TYR HD2 H 4.334 -0.120 2.118 1.00 . A A . 9 TYR HD2 1 1
1 109 1 1 6 TYR HE1 H 0.813 3.159 3.264 1.00 . A A . 9 TYR HE1 1 1
1 110 1 1 6 TYR HE2 H 4.854 1.777 3.593 1.00 . A A . 9 TYR HE2 1 1
1 111 1 1 6 TYR HH H 3.886 3.402 4.898 1.00 . A A . 9 TYR HH 1 1
1 112 1 1 6 TYR N N 1.937 0.615 -1.187 1.00 . A A . 9 TYR N 1 1
1 113 1 1 6 TYR O O 0.872 -1.979 -1.766 1.00 . A A . 9 TYR O 1 1
1 114 1 1 6 TYR OH O 3.152 3.658 4.330 1.00 . A A . 9 TYR OH 1 1
1 115 1 1 7 CYS C C 3.163 -5.374 -1.547 1.00 . A A . 10 CYS C 1 1
1 116 1 1 7 CYS CA C 2.569 -4.129 -2.277 1.00 . A A . 10 CYS CA 1 1
1 117 1 1 7 CYS CB C 2.825 -4.058 -3.799 1.00 . A A . 10 CYS CB 1 1
1 118 1 1 7 CYS H H 3.891 -2.661 -1.270 1.00 . A A . 10 CYS H 1 1
1 119 1 1 7 CYS HA H 1.480 -4.257 -2.195 1.00 . A A . 10 CYS HA 1 1
1 120 1 1 7 CYS HB2 H 2.557 -3.060 -4.198 1.00 . A A . 10 CYS HB2 1 1
1 121 1 1 7 CYS HB3 H 3.894 -4.208 -4.039 1.00 . A A . 10 CYS HB3 1 1
1 122 1 1 7 CYS N N 2.950 -2.837 -1.634 1.00 . A A . 10 CYS N 1 1
1 123 1 1 7 CYS O O 4.136 -5.986 -1.997 1.00 . A A . 10 CYS O 1 1
1 124 1 1 7 CYS SG S 1.812 -5.266 -4.697 1.00 . A A . 10 CYS SG 1 1
1 125 1 1 8 VAL C C 1.507 -7.408 1.036 1.00 . A A . 11 VAL C 1 1
1 126 1 1 8 VAL CA C 2.824 -7.017 0.308 1.00 . A A . 11 VAL CA 1 1
1 127 1 1 8 VAL CB C 4.128 -6.950 1.180 1.00 . A A . 11 VAL CB 1 1
1 128 1 1 8 VAL CG1 C 4.131 -5.905 2.321 1.00 . A A . 11 VAL CG1 1 1
1 129 1 1 8 VAL CG2 C 4.514 -8.327 1.764 1.00 . A A . 11 VAL CG2 1 1
1 130 1 1 8 VAL H H 1.752 -5.165 -0.115 1.00 . A A . 11 VAL H 1 1
1 131 1 1 8 VAL HA H 2.983 -7.815 -0.446 1.00 . A A . 11 VAL HA 1 1
1 132 1 1 8 VAL HB H 4.948 -6.666 0.492 1.00 . A A . 11 VAL HB 1 1
1 133 1 1 8 VAL HG11 H 5.108 -5.850 2.834 1.00 . A A . 11 VAL HG11 1 1
1 134 1 1 8 VAL HG12 H 3.909 -4.891 1.940 1.00 . A A . 11 VAL HG12 1 1
1 135 1 1 8 VAL HG13 H 3.367 -6.134 3.087 1.00 . A A . 11 VAL HG13 1 1
1 136 1 1 8 VAL HG21 H 5.482 -8.298 2.297 1.00 . A A . 11 VAL HG21 1 1
1 137 1 1 8 VAL HG22 H 3.754 -8.692 2.481 1.00 . A A . 11 VAL HG22 1 1
1 138 1 1 8 VAL HG23 H 4.606 -9.094 0.973 1.00 . A A . 11 VAL HG23 1 1
1 139 1 1 8 VAL N N 2.534 -5.752 -0.421 1.00 . A A . 11 VAL N 1 1
1 140 1 1 8 VAL O O 0.798 -8.330 0.565 1.00 . A A . 11 VAL O 1 1
1 141 1 1 8 VAL OXT O 1.122 -6.774 2.046 1.00 . A A . 11 VAL OXT 1 1
2 142 1 1 1 ASP C C -1.846 -5.674 -0.112 1.00 . A A . 4 ASP C 1 1
2 143 1 1 1 ASP CA C -2.460 -6.935 0.568 1.00 . A A . 4 ASP CA 1 1
2 144 1 1 1 ASP CB C -3.788 -6.605 1.295 1.00 . A A . 4 ASP CB 1 1
2 145 1 1 1 ASP CG C -4.536 -7.824 1.841 1.00 . A A . 4 ASP CG 1 1
2 146 1 1 1 ASP H1 H -2.045 -8.235 2.122 1.00 . A A . 4 ASP H1 1 1
2 147 1 1 1 ASP H2 H -0.646 -7.948 1.142 1.00 . A A . 4 ASP H2 1 1
2 148 1 1 1 ASP H3 H -1.123 -6.841 2.185 1.00 . A A . 4 ASP H3 1 1
2 149 1 1 1 ASP HA H -2.673 -7.699 -0.209 1.00 . A A . 4 ASP HA 1 1
2 150 1 1 1 ASP HB2 H -3.620 -5.895 2.127 1.00 . A A . 4 ASP HB2 1 1
2 151 1 1 1 ASP HB3 H -4.468 -6.072 0.604 1.00 . A A . 4 ASP HB3 1 1
2 152 1 1 1 ASP N N -1.534 -7.538 1.552 1.00 . A A . 4 ASP N 1 1
2 153 1 1 1 ASP O O -1.313 -4.794 0.574 1.00 . A A . 4 ASP O 1 1
2 154 1 1 1 ASP OD1 O -5.727 -8.001 1.524 1.00 . A A . 4 ASP OD1 1 1
2 155 1 1 1 ASP OD2 O -3.903 -8.617 2.574 1.00 . A A . 4 ASP OD2 1 1
2 156 1 1 2 CYS C C -2.493 -3.162 -2.092 1.00 . A A . 5 CYS C 1 1
2 157 1 1 2 CYS CA C -1.479 -4.348 -2.175 1.00 . A A . 5 CYS CA 1 1
2 158 1 1 2 CYS CB C -1.101 -4.736 -3.615 1.00 . A A . 5 CYS CB 1 1
2 159 1 1 2 CYS H H -2.432 -6.313 -1.946 1.00 . A A . 5 CYS H 1 1
2 160 1 1 2 CYS HA H -0.541 -4.028 -1.691 1.00 . A A . 5 CYS HA 1 1
2 161 1 1 2 CYS HB2 H -1.967 -5.140 -4.168 1.00 . A A . 5 CYS HB2 1 1
2 162 1 1 2 CYS HB3 H -0.766 -3.835 -4.162 1.00 . A A . 5 CYS HB3 1 1
2 163 1 1 2 CYS N N -1.948 -5.557 -1.452 1.00 . A A . 5 CYS N 1 1
2 164 1 1 2 CYS O O -3.695 -3.305 -2.333 1.00 . A A . 5 CYS O 1 1
2 165 1 1 2 CYS SG S 0.261 -5.930 -3.597 1.00 . A A . 5 CYS SG 1 1
2 166 1 1 3 PHE C C -2.040 0.453 -1.110 1.00 . A A . 6 PHE C 1 1
2 167 1 1 3 PHE CA C -2.808 -0.923 -1.047 1.00 . A A . 6 PHE CA 1 1
2 168 1 1 3 PHE CB C -3.145 -1.335 0.422 1.00 . A A . 6 PHE CB 1 1
2 169 1 1 3 PHE CD1 C -5.457 -0.411 0.965 1.00 . A A . 6 PHE CD1 1 1
2 170 1 1 3 PHE CD2 C -3.543 0.557 2.077 1.00 . A A . 6 PHE CD2 1 1
2 171 1 1 3 PHE CE1 C -6.293 0.487 1.623 1.00 . A A . 6 PHE CE1 1 1
2 172 1 1 3 PHE CE2 C -4.381 1.455 2.734 1.00 . A A . 6 PHE CE2 1 1
2 173 1 1 3 PHE CG C -4.076 -0.376 1.181 1.00 . A A . 6 PHE CG 1 1
2 174 1 1 3 PHE CZ C -5.754 1.422 2.505 1.00 . A A . 6 PHE CZ 1 1
2 175 1 1 3 PHE H H -0.950 -1.988 -1.638 1.00 . A A . 6 PHE H 1 1
2 176 1 1 3 PHE HA H -3.761 -0.857 -1.604 1.00 . A A . 6 PHE HA 1 1
2 177 1 1 3 PHE HB2 H -3.610 -2.341 0.426 1.00 . A A . 6 PHE HB2 1 1
2 178 1 1 3 PHE HB3 H -2.206 -1.485 0.989 1.00 . A A . 6 PHE HB3 1 1
2 179 1 1 3 PHE HD1 H -5.883 -1.138 0.285 1.00 . A A . 6 PHE HD1 1 1
2 180 1 1 3 PHE HD2 H -2.478 0.589 2.258 1.00 . A A . 6 PHE HD2 1 1
2 181 1 1 3 PHE HE1 H -7.359 0.457 1.453 1.00 . A A . 6 PHE HE1 1 1
2 182 1 1 3 PHE HE2 H -3.969 2.175 3.427 1.00 . A A . 6 PHE HE2 1 1
2 183 1 1 3 PHE HZ H -6.404 2.117 3.018 1.00 . A A . 6 PHE HZ 1 1
2 184 1 1 3 PHE N N -1.983 -2.001 -1.654 1.00 . A A . 6 PHE N 1 1
2 185 1 1 3 PHE O O -0.927 0.496 -0.570 1.00 . A A . 6 PHE O 1 1
2 186 1 1 4 . C C -0.509 3.021 -2.228 1.00 . A A . 7 E9M C 1 1
2 187 1 1 4 . CA C -1.890 2.946 -1.483 1.00 . A A . 7 E9M CA 1 1
2 188 1 1 4 . CB C -1.958 3.363 0.031 1.00 . A A . 7 E9M CB 1 1
2 189 1 1 4 . CD1 C -1.175 5.891 -0.325 1.00 . A A . 7 E9M CD1 1 1
2 190 1 1 4 . CD2 C -1.376 5.204 1.782 1.00 . A A . 7 E9M CD2 1 1
2 191 1 1 4 . CE2 C -0.934 6.551 1.759 1.00 . A A . 7 E9M CE2 1 1
2 192 1 1 4 . CE3 C -1.579 4.538 3.018 1.00 . A A . 7 E9M CE3 1 1
2 193 1 1 4 . CG C -1.533 4.776 0.473 1.00 . A A . 7 E9M CG 1 1
2 194 1 1 4 . CH2 C -0.899 6.569 4.177 1.00 . A A . 7 E9M CH2 1 1
2 195 1 1 4 . CN2 C -3.887 1.579 -2.360 1.00 . A A . 7 E9M CN2 1 1
2 196 1 1 4 . CZ2 C -0.697 7.242 2.970 1.00 . A A . 7 E9M CZ2 1 1
2 197 1 1 4 . CZ3 C -1.331 5.237 4.201 1.00 . A A . 7 E9M CZ3 1 1
2 198 1 1 4 . HA H -2.490 3.713 -2.007 1.00 . A A . 7 E9M HA 1 1
2 199 1 1 4 . HB2 H -2.980 3.179 0.395 1.00 . A A . 7 E9M HB2 1 1
2 200 1 1 4 . HB3 H -1.360 2.644 0.619 1.00 . A A . 7 E9M HB3 1 1
2 201 1 1 4 . HD1 H -1.177 5.891 -1.405 1.00 . A A . 7 E9M HD1 1 1
2 202 1 1 4 . HE1 H -0.570 7.949 0.143 1.00 . A A . 7 E9M HE1 1 1
2 203 1 1 4 . HE3 H -1.910 3.509 3.046 1.00 . A A . 7 E9M HE3 1 1
2 204 1 1 4 . HH2 H -0.732 7.088 5.112 1.00 . A A . 7 E9M HH2 1 1
2 205 1 1 4 . HN1 H -3.895 0.831 -3.177 1.00 . A A . 7 E9M HN1 1 1
2 206 1 1 4 . HN2 H -4.714 1.337 -1.666 1.00 . A A . 7 E9M HN2 1 1
2 207 1 1 4 . HN3 H -4.146 2.544 -2.834 1.00 . A A . 7 E9M HN3 1 1
2 208 1 1 4 . HZ2 H -0.377 8.274 2.961 1.00 . A A . 7 E9M HZ2 1 1
2 209 1 1 4 . HZ3 H -1.485 4.743 5.150 1.00 . A A . 7 E9M HZ3 1 1
2 210 1 1 4 . N N -2.576 1.606 -1.654 1.00 . A A . 7 E9M N 1 1
2 211 1 1 4 . NE1 N -0.781 6.995 0.458 1.00 . A A . 7 E9M NE1 1 1
2 212 1 1 4 . O O -0.453 2.938 -3.456 1.00 . A A . 7 E9M O 1 1
2 213 1 1 5 LYS C C 2.690 1.670 -1.562 1.00 . A A . 8 LYS C 1 1
2 214 1 1 5 LYS CA C 1.981 3.014 -1.970 1.00 . A A . 8 LYS CA 1 1
2 215 1 1 5 LYS CB C 2.728 4.298 -1.498 1.00 . A A . 8 LYS CB 1 1
2 216 1 1 5 LYS CD C 3.463 5.900 0.379 1.00 . A A . 8 LYS CD 1 1
2 217 1 1 5 LYS CE C 3.849 6.125 1.855 1.00 . A A . 8 LYS CE 1 1
2 218 1 1 5 LYS CG C 2.942 4.487 0.030 1.00 . A A . 8 LYS CG 1 1
2 219 1 1 5 LYS H H 0.388 3.276 -0.478 1.00 . A A . 8 LYS H 1 1
2 220 1 1 5 LYS HA H 1.996 3.021 -3.079 1.00 . A A . 8 LYS HA 1 1
2 221 1 1 5 LYS HB2 H 3.715 4.312 -1.992 1.00 . A A . 8 LYS HB2 1 1
2 222 1 1 5 LYS HB3 H 2.206 5.182 -1.916 1.00 . A A . 8 LYS HB3 1 1
2 223 1 1 5 LYS HD2 H 4.355 6.109 -0.244 1.00 . A A . 8 LYS HD2 1 1
2 224 1 1 5 LYS HD3 H 2.721 6.660 0.058 1.00 . A A . 8 LYS HD3 1 1
2 225 1 1 5 LYS HE2 H 4.645 5.406 2.154 1.00 . A A . 8 LYS HE2 1 1
2 226 1 1 5 LYS HE3 H 4.331 7.124 1.948 1.00 . A A . 8 LYS HE3 1 1
2 227 1 1 5 LYS HG2 H 1.993 4.305 0.570 1.00 . A A . 8 LYS HG2 1 1
2 228 1 1 5 LYS HG3 H 3.637 3.708 0.402 1.00 . A A . 8 LYS HG3 1 1
2 229 1 1 5 LYS HZ1 H 2.711 6.675 3.566 1.00 . A A . 8 LYS HZ1 1 1
2 230 1 1 5 LYS HZ2 H 1.783 6.210 2.285 1.00 . A A . 8 LYS HZ2 1 1
2 231 1 1 5 LYS HZ3 H 2.588 5.085 3.190 1.00 . A A . 8 LYS HZ3 1 1
2 232 1 1 5 LYS N N 0.587 3.173 -1.476 1.00 . A A . 8 LYS N 1 1
2 233 1 1 5 LYS NZ N 2.675 6.029 2.768 1.00 . A A . 8 LYS NZ 1 1
2 234 1 1 5 LYS O O 3.921 1.596 -1.592 1.00 . A A . 8 LYS O 1 1
2 235 1 1 6 TYR C C 2.045 -1.867 -1.394 1.00 . A A . 9 TYR C 1 1
2 236 1 1 6 TYR CA C 2.491 -0.619 -0.573 1.00 . A A . 9 TYR CA 1 1
2 237 1 1 6 TYR CB C 1.939 -0.721 0.880 1.00 . A A . 9 TYR CB 1 1
2 238 1 1 6 TYR CD1 C 1.280 1.373 2.171 1.00 . A A . 9 TYR CD1 1 1
2 239 1 1 6 TYR CD2 C 3.557 0.590 2.367 1.00 . A A . 9 TYR CD2 1 1
2 240 1 1 6 TYR CE1 C 1.578 2.448 3.003 1.00 . A A . 9 TYR CE1 1 1
2 241 1 1 6 TYR CE2 C 3.852 1.667 3.201 1.00 . A A . 9 TYR CE2 1 1
2 242 1 1 6 TYR CG C 2.268 0.438 1.844 1.00 . A A . 9 TYR CG 1 1
2 243 1 1 6 TYR CZ C 2.863 2.596 3.516 1.00 . A A . 9 TYR CZ 1 1
2 244 1 1 6 TYR H H 0.933 0.827 -1.043 1.00 . A A . 9 TYR H 1 1
2 245 1 1 6 TYR HA H 3.599 -0.583 -0.530 1.00 . A A . 9 TYR HA 1 1
2 246 1 1 6 TYR HB2 H 0.841 -0.870 0.838 1.00 . A A . 9 TYR HB2 1 1
2 247 1 1 6 TYR HB3 H 2.307 -1.659 1.324 1.00 . A A . 9 TYR HB3 1 1
2 248 1 1 6 TYR HD1 H 0.278 1.267 1.777 1.00 . A A . 9 TYR HD1 1 1
2 249 1 1 6 TYR HD2 H 4.332 -0.120 2.118 1.00 . A A . 9 TYR HD2 1 1
2 250 1 1 6 TYR HE1 H 0.812 3.158 3.265 1.00 . A A . 9 TYR HE1 1 1
2 251 1 1 6 TYR HE2 H 4.852 1.777 3.594 1.00 . A A . 9 TYR HE2 1 1
2 252 1 1 6 TYR HH H 3.884 3.402 4.900 1.00 . A A . 9 TYR HH 1 1
2 253 1 1 6 TYR N N 1.937 0.615 -1.187 1.00 . A A . 9 TYR N 1 1
2 254 1 1 6 TYR O O 0.872 -1.979 -1.767 1.00 . A A . 9 TYR O 1 1
2 255 1 1 6 TYR OH O 3.149 3.657 4.332 1.00 . A A . 9 TYR OH 1 1
2 256 1 1 7 CYS C C 3.163 -5.374 -1.548 1.00 . A A . 10 CYS C 1 1
2 257 1 1 7 CYS CA C 2.569 -4.130 -2.277 1.00 . A A . 10 CYS CA 1 1
2 258 1 1 7 CYS CB C 2.825 -4.058 -3.799 1.00 . A A . 10 CYS CB 1 1
2 259 1 1 7 CYS H H 3.891 -2.661 -1.270 1.00 . A A . 10 CYS H 1 1
2 260 1 1 7 CYS HA H 1.480 -4.257 -2.194 1.00 . A A . 10 CYS HA 1 1
2 261 1 1 7 CYS HB2 H 2.557 -3.061 -4.197 1.00 . A A . 10 CYS HB2 1 1
2 262 1 1 7 CYS HB3 H 3.894 -4.208 -4.040 1.00 . A A . 10 CYS HB3 1 1
2 263 1 1 7 CYS N N 2.950 -2.838 -1.634 1.00 . A A . 10 CYS N 1 1
2 264 1 1 7 CYS O O 4.137 -5.986 -1.996 1.00 . A A . 10 CYS O 1 1
2 265 1 1 7 CYS SG S 1.812 -5.266 -4.696 1.00 . A A . 10 CYS SG 1 1
2 266 1 1 8 VAL C C 1.509 -7.409 1.036 1.00 . A A . 11 VAL C 1 1
2 267 1 1 8 VAL CA C 2.825 -7.016 0.308 1.00 . A A . 11 VAL CA 1 1
2 268 1 1 8 VAL CB C 4.130 -6.950 1.181 1.00 . A A . 11 VAL CB 1 1
2 269 1 1 8 VAL CG1 C 4.132 -5.903 2.320 1.00 . A A . 11 VAL CG1 1 1
2 270 1 1 8 VAL CG2 C 4.516 -8.326 1.764 1.00 . A A . 11 VAL CG2 1 1
2 271 1 1 8 VAL H H 1.752 -5.164 -0.115 1.00 . A A . 11 VAL H 1 1
2 272 1 1 8 VAL HA H 2.984 -7.815 -0.445 1.00 . A A . 11 VAL HA 1 1
2 273 1 1 8 VAL HB H 4.950 -6.666 0.492 1.00 . A A . 11 VAL HB 1 1
2 274 1 1 8 VAL HG11 H 3.368 -6.132 3.086 1.00 . A A . 11 VAL HG11 1 1
2 275 1 1 8 VAL HG12 H 5.110 -5.849 2.834 1.00 . A A . 11 VAL HG12 1 1
2 276 1 1 8 VAL HG13 H 3.908 -4.891 1.939 1.00 . A A . 11 VAL HG13 1 1
2 277 1 1 8 VAL HG21 H 5.484 -8.296 2.296 1.00 . A A . 11 VAL HG21 1 1
2 278 1 1 8 VAL HG22 H 3.756 -8.691 2.481 1.00 . A A . 11 VAL HG22 1 1
2 279 1 1 8 VAL HG23 H 4.607 -9.093 0.972 1.00 . A A . 11 VAL HG23 1 1
2 280 1 1 8 VAL N N 2.534 -5.753 -0.421 1.00 . A A . 11 VAL N 1 1
2 281 1 1 8 VAL O O 1.123 -6.774 2.047 1.00 . A A . 11 VAL O 1 1
2 282 1 1 8 VAL OXT O 0.799 -8.329 0.565 1.00 . A A . 11 VAL OXT 1 1
3 283 1 1 1 ASP C C -1.514 -6.076 -0.358 1.00 . A A . 4 ASP C 1 1
3 284 1 1 1 ASP CA C -2.067 -7.439 0.170 1.00 . A A . 4 ASP CA 1 1
3 285 1 1 1 ASP CB C -3.378 -7.268 0.981 1.00 . A A . 4 ASP CB 1 1
3 286 1 1 1 ASP CG C -4.074 -8.581 1.348 1.00 . A A . 4 ASP CG 1 1
3 287 1 1 1 ASP H1 H -0.207 -8.473 0.549 1.00 . A A . 4 ASP H1 1 1
3 288 1 1 1 ASP H2 H -0.679 -7.555 1.750 1.00 . A A . 4 ASP H2 1 1
3 289 1 1 1 ASP H3 H -1.571 -8.947 1.503 1.00 . A A . 4 ASP H3 1 1
3 290 1 1 1 ASP HA H -2.283 -8.087 -0.703 1.00 . A A . 4 ASP HA 1 1
3 291 1 1 1 ASP HB2 H -3.201 -6.693 1.910 1.00 . A A . 4 ASP HB2 1 1
3 292 1 1 1 ASP HB3 H -4.096 -6.659 0.403 1.00 . A A . 4 ASP HB3 1 1
3 293 1 1 1 ASP N N -1.096 -8.159 1.030 1.00 . A A . 4 ASP N 1 1
3 294 1 1 1 ASP O O -0.716 -5.412 0.314 1.00 . A A . 4 ASP O 1 1
3 295 1 1 1 ASP OD1 O -3.401 -9.453 1.943 1.00 . A A . 4 ASP OD1 1 1
3 296 1 1 1 ASP OD2 O -5.266 -8.749 1.025 1.00 . A A . 4 ASP OD2 1 1
3 297 1 1 2 CYS C C -2.548 -3.214 -2.004 1.00 . A A . 5 CYS C 1 1
3 298 1 1 2 CYS CA C -1.510 -4.367 -2.166 1.00 . A A . 5 CYS CA 1 1
3 299 1 1 2 CYS CB C -1.133 -4.638 -3.632 1.00 . A A . 5 CYS CB 1 1
3 300 1 1 2 CYS H H -2.631 -6.246 -2.041 1.00 . A A . 5 CYS H 1 1
3 301 1 1 2 CYS HA H -0.577 -4.048 -1.670 1.00 . A A . 5 CYS HA 1 1
3 302 1 1 2 CYS HB2 H -1.993 -5.020 -4.211 1.00 . A A . 5 CYS HB2 1 1
3 303 1 1 2 CYS HB3 H -0.820 -3.694 -4.113 1.00 . A A . 5 CYS HB3 1 1
3 304 1 1 2 CYS N N -1.951 -5.650 -1.561 1.00 . A A . 5 CYS N 1 1
3 305 1 1 2 CYS O O -3.754 -3.379 -2.212 1.00 . A A . 5 CYS O 1 1
3 306 1 1 2 CYS SG S 0.251 -5.802 -3.702 1.00 . A A . 5 CYS SG 1 1
3 307 1 1 3 PHE C C -2.062 0.457 -1.178 1.00 . A A . 6 PHE C 1 1
3 308 1 1 3 PHE CA C -2.873 -0.895 -1.128 1.00 . A A . 6 PHE CA 1 1
3 309 1 1 3 PHE CB C -3.434 -1.175 0.304 1.00 . A A . 6 PHE CB 1 1
3 310 1 1 3 PHE CD1 C -2.157 -0.173 2.284 1.00 . A A . 6 PHE CD1 1 1
3 311 1 1 3 PHE CD2 C -1.795 -2.500 1.749 1.00 . A A . 6 PHE CD2 1 1
3 312 1 1 3 PHE CE1 C -1.235 -0.269 3.324 1.00 . A A . 6 PHE CE1 1 1
3 313 1 1 3 PHE CE2 C -0.868 -2.594 2.783 1.00 . A A . 6 PHE CE2 1 1
3 314 1 1 3 PHE CG C -2.439 -1.287 1.484 1.00 . A A . 6 PHE CG 1 1
3 315 1 1 3 PHE CZ C -0.589 -1.479 3.571 1.00 . A A . 6 PHE CZ 1 1
3 316 1 1 3 PHE H H -1.026 -2.031 -1.461 1.00 . A A . 6 PHE H 1 1
3 317 1 1 3 PHE HA H -3.740 -0.818 -1.811 1.00 . A A . 6 PHE HA 1 1
3 318 1 1 3 PHE HB2 H -4.166 -0.383 0.525 1.00 . A A . 6 PHE HB2 1 1
3 319 1 1 3 PHE HB3 H -4.055 -2.090 0.271 1.00 . A A . 6 PHE HB3 1 1
3 320 1 1 3 PHE HD1 H -2.643 0.772 2.091 1.00 . A A . 6 PHE HD1 1 1
3 321 1 1 3 PHE HD2 H -2.004 -3.369 1.143 1.00 . A A . 6 PHE HD2 1 1
3 322 1 1 3 PHE HE1 H -1.013 0.594 3.934 1.00 . A A . 6 PHE HE1 1 1
3 323 1 1 3 PHE HE2 H -0.365 -3.533 2.970 1.00 . A A . 6 PHE HE2 1 1
3 324 1 1 3 PHE HZ H 0.134 -1.551 4.371 1.00 . A A . 6 PHE HZ 1 1
3 325 1 1 3 PHE N N -2.048 -2.036 -1.599 1.00 . A A . 6 PHE N 1 1
3 326 1 1 3 PHE O O -0.913 0.443 -0.715 1.00 . A A . 6 PHE O 1 1
3 327 1 1 4 . C C -0.477 3.010 -2.225 1.00 . A A . 7 E9M C 1 1
3 328 1 1 4 . CA C -1.835 2.958 -1.428 1.00 . A A . 7 E9M CA 1 1
3 329 1 1 4 . CB C -1.827 3.288 0.110 1.00 . A A . 7 E9M CB 1 1
3 330 1 1 4 . CD1 C -1.046 5.828 -0.119 1.00 . A A . 7 E9M CD1 1 1
3 331 1 1 4 . CD2 C -1.036 4.968 1.932 1.00 . A A . 7 E9M CD2 1 1
3 332 1 1 4 . CE2 C -0.578 6.309 1.976 1.00 . A A . 7 E9M CE2 1 1
3 333 1 1 4 . CE3 C -1.133 4.203 3.125 1.00 . A A . 7 E9M CE3 1 1
3 334 1 1 4 . CG C -1.331 4.653 0.617 1.00 . A A . 7 E9M CG 1 1
3 335 1 1 4 . CH2 C -0.305 6.124 4.372 1.00 . A A . 7 E9M CH2 1 1
3 336 1 1 4 . CN2 C -3.936 1.711 -2.253 1.00 . A A . 7 E9M CN2 1 1
3 337 1 1 4 . CZ2 C -0.210 6.893 3.210 1.00 . A A . 7 E9M CZ2 1 1
3 338 1 1 4 . CZ3 C -0.761 4.800 4.330 1.00 . A A . 7 E9M CZ3 1 1
3 339 1 1 4 . HA H -2.419 3.774 -1.891 1.00 . A A . 7 E9M HA 1 1
3 340 1 1 4 . HB2 H -2.840 3.129 0.510 1.00 . A A . 7 E9M HB2 1 1
3 341 1 1 4 . HB3 H -1.232 2.513 0.627 1.00 . A A . 7 E9M HB3 1 1
3 342 1 1 4 . HD1 H -1.159 5.915 -1.191 1.00 . A A . 7 E9M HD1 1 1
3 343 1 1 4 . HE1 H -0.433 7.853 0.464 1.00 . A A . 7 E9M HE1 1 1
3 344 1 1 4 . HE3 H -1.486 3.182 3.104 1.00 . A A . 7 E9M HE3 1 1
3 345 1 1 4 . HH2 H -0.028 6.559 5.323 1.00 . A A . 7 E9M HH2 1 1
3 346 1 1 4 . HN1 H -4.725 1.375 -1.553 1.00 . A A . 7 E9M HN1 1 1
3 347 1 1 4 . HN2 H -4.222 2.728 -2.580 1.00 . A A . 7 E9M HN2 1 1
3 348 1 1 4 . HN3 H -3.987 1.075 -3.158 1.00 . A A . 7 E9M HN3 1 1
3 349 1 1 4 . HZ2 H 0.132 7.916 3.254 1.00 . A A . 7 E9M HZ2 1 1
3 350 1 1 4 . HZ3 H -0.827 4.232 5.247 1.00 . A A . 7 E9M HZ3 1 1
3 351 1 1 4 . N N -2.585 1.656 -1.626 1.00 . A A . 7 E9M N 1 1
3 352 1 1 4 . NE1 N -0.565 6.864 0.707 1.00 . A A . 7 E9M NE1 1 1
3 353 1 1 4 . O O -0.460 2.874 -3.450 1.00 . A A . 7 E9M O 1 1
3 354 1 1 5 LYS C C 2.666 1.559 -1.710 1.00 . A A . 8 LYS C 1 1
3 355 1 1 5 LYS CA C 2.022 2.958 -2.046 1.00 . A A . 8 LYS CA 1 1
3 356 1 1 5 LYS CB C 2.878 4.153 -1.522 1.00 . A A . 8 LYS CB 1 1
3 357 1 1 5 LYS CD C 3.978 5.413 0.497 1.00 . A A . 8 LYS CD 1 1
3 358 1 1 5 LYS CE C 3.202 6.743 0.540 1.00 . A A . 8 LYS CE 1 1
3 359 1 1 5 LYS CG C 3.123 4.224 0.013 1.00 . A A . 8 LYS CG 1 1
3 360 1 1 5 LYS H H 0.485 3.341 -0.523 1.00 . A A . 8 LYS H 1 1
3 361 1 1 5 LYS HA H 2.018 3.021 -3.153 1.00 . A A . 8 LYS HA 1 1
3 362 1 1 5 LYS HB2 H 3.857 4.109 -2.030 1.00 . A A . 8 LYS HB2 1 1
3 363 1 1 5 LYS HB3 H 2.428 5.099 -1.880 1.00 . A A . 8 LYS HB3 1 1
3 364 1 1 5 LYS HD2 H 4.347 5.165 1.513 1.00 . A A . 8 LYS HD2 1 1
3 365 1 1 5 LYS HD3 H 4.889 5.492 -0.130 1.00 . A A . 8 LYS HD3 1 1
3 366 1 1 5 LYS HE2 H 2.818 7.002 -0.472 1.00 . A A . 8 LYS HE2 1 1
3 367 1 1 5 LYS HE3 H 2.291 6.628 1.169 1.00 . A A . 8 LYS HE3 1 1
3 368 1 1 5 LYS HG2 H 2.161 4.210 0.562 1.00 . A A . 8 LYS HG2 1 1
3 369 1 1 5 LYS HG3 H 3.622 3.287 0.328 1.00 . A A . 8 LYS HG3 1 1
3 370 1 1 5 LYS HZ1 H 3.624 8.739 1.127 1.00 . A A . 8 LYS HZ1 1 1
3 371 1 1 5 LYS HZ2 H 4.423 7.612 2.020 1.00 . A A . 8 LYS HZ2 1 1
3 372 1 1 5 LYS HZ3 H 4.927 7.954 0.499 1.00 . A A . 8 LYS HZ3 1 1
3 373 1 1 5 LYS N N 0.649 3.195 -1.522 1.00 . A A . 8 LYS N 1 1
3 374 1 1 5 LYS NZ N 4.082 7.819 1.071 1.00 . A A . 8 LYS NZ 1 1
3 375 1 1 5 LYS O O 3.844 1.356 -2.014 1.00 . A A . 8 LYS O 1 1
3 376 1 1 6 TYR C C 2.017 -1.870 -1.197 1.00 . A A . 9 TYR C 1 1
3 377 1 1 6 TYR CA C 2.523 -0.598 -0.454 1.00 . A A . 9 TYR CA 1 1
3 378 1 1 6 TYR CB C 2.072 -0.630 1.033 1.00 . A A . 9 TYR CB 1 1
3 379 1 1 6 TYR CD1 C 1.775 1.567 2.294 1.00 . A A . 9 TYR CD1 1 1
3 380 1 1 6 TYR CD2 C 3.927 0.475 2.394 1.00 . A A . 9 TYR CD2 1 1
3 381 1 1 6 TYR CE1 C 2.270 2.610 3.075 1.00 . A A . 9 TYR CE1 1 1
3 382 1 1 6 TYR CE2 C 4.420 1.520 3.173 1.00 . A A . 9 TYR CE2 1 1
3 383 1 1 6 TYR CG C 2.603 0.494 1.944 1.00 . A A . 9 TYR CG 1 1
3 384 1 1 6 TYR CZ C 3.591 2.588 3.509 1.00 . A A . 9 TYR CZ 1 1
3 385 1 1 6 TYR H H 0.951 0.856 -0.883 1.00 . A A . 9 TYR H 1 1
3 386 1 1 6 TYR HA H 3.632 -0.568 -0.480 1.00 . A A . 9 TYR HA 1 1
3 387 1 1 6 TYR HB2 H 0.964 -0.663 1.072 1.00 . A A . 9 TYR HB2 1 1
3 388 1 1 6 TYR HB3 H 2.370 -1.600 1.466 1.00 . A A . 9 TYR HB3 1 1
3 389 1 1 6 TYR HD1 H 0.751 1.601 1.948 1.00 . A A . 9 TYR HD1 1 1
3 390 1 1 6 TYR HD2 H 4.581 -0.345 2.130 1.00 . A A . 9 TYR HD2 1 1
3 391 1 1 6 TYR HE1 H 1.639 3.443 3.337 1.00 . A A . 9 TYR HE1 1 1
3 392 1 1 6 TYR HE2 H 5.447 1.499 3.506 1.00 . A A . 9 TYR HE2 1 1
3 393 1 1 6 TYR HH H 4.936 3.384 4.601 1.00 . A A . 9 TYR HH 1 1
3 394 1 1 6 TYR N N 1.942 0.622 -1.069 1.00 . A A . 9 TYR N 1 1
3 395 1 1 6 TYR O O 0.810 -2.038 -1.394 1.00 . A A . 9 TYR O 1 1
3 396 1 1 6 TYR OH O 4.077 3.630 4.253 1.00 . A A . 9 TYR OH 1 1
3 397 1 1 7 CYS C C 3.276 -5.291 -1.726 1.00 . A A . 10 CYS C 1 1
3 398 1 1 7 CYS CA C 2.550 -4.035 -2.295 1.00 . A A . 10 CYS CA 1 1
3 399 1 1 7 CYS CB C 2.707 -3.813 -3.818 1.00 . A A . 10 CYS CB 1 1
3 400 1 1 7 CYS H H 3.897 -2.556 -1.336 1.00 . A A . 10 CYS H 1 1
3 401 1 1 7 CYS HA H 1.476 -4.226 -2.144 1.00 . A A . 10 CYS HA 1 1
3 402 1 1 7 CYS HB2 H 2.325 -2.816 -4.112 1.00 . A A . 10 CYS HB2 1 1
3 403 1 1 7 CYS HB3 H 3.770 -3.835 -4.125 1.00 . A A . 10 CYS HB3 1 1
3 404 1 1 7 CYS N N 2.929 -2.781 -1.584 1.00 . A A . 10 CYS N 1 1
3 405 1 1 7 CYS O O 4.309 -5.728 -2.245 1.00 . A A . 10 CYS O 1 1
3 406 1 1 7 CYS SG S 1.767 -5.032 -4.772 1.00 . A A . 10 CYS SG 1 1
3 407 1 1 8 VAL C C 1.927 -7.819 0.588 1.00 . A A . 11 VAL C 1 1
3 408 1 1 8 VAL CA C 3.170 -7.169 -0.081 1.00 . A A . 11 VAL CA 1 1
3 409 1 1 8 VAL CB C 4.471 -7.036 0.792 1.00 . A A . 11 VAL CB 1 1
3 410 1 1 8 VAL CG1 C 4.365 -6.128 2.041 1.00 . A A . 11 VAL CG1 1 1
3 411 1 1 8 VAL CG2 C 5.038 -8.407 1.216 1.00 . A A . 11 VAL CG2 1 1
3 412 1 1 8 VAL H H 1.856 -5.437 -0.293 1.00 . A A . 11 VAL H 1 1
3 413 1 1 8 VAL HA H 3.422 -7.845 -0.922 1.00 . A A . 11 VAL HA 1 1
3 414 1 1 8 VAL HB H 5.237 -6.575 0.137 1.00 . A A . 11 VAL HB 1 1
3 415 1 1 8 VAL HG11 H 5.337 -6.006 2.552 1.00 . A A . 11 VAL HG11 1 1
3 416 1 1 8 VAL HG12 H 4.007 -5.117 1.777 1.00 . A A . 11 VAL HG12 1 1
3 417 1 1 8 VAL HG13 H 3.652 -6.536 2.783 1.00 . A A . 11 VAL HG13 1 1
3 418 1 1 8 VAL HG21 H 6.005 -8.313 1.744 1.00 . A A . 11 VAL HG21 1 1
3 419 1 1 8 VAL HG22 H 4.344 -8.943 1.891 1.00 . A A . 11 VAL HG22 1 1
3 420 1 1 8 VAL HG23 H 5.212 -9.065 0.343 1.00 . A A . 11 VAL HG23 1 1
3 421 1 1 8 VAL N N 2.709 -5.875 -0.655 1.00 . A A . 11 VAL N 1 1
3 422 1 1 8 VAL O O 1.276 -8.685 -0.046 1.00 . A A . 11 VAL O 1 1
3 423 1 1 8 VAL OXT O 1.532 -7.439 1.716 1.00 . A A . 11 VAL OXT 1 1
4 424 1 1 1 ASP C C -1.489 -6.059 -0.309 1.00 . A A . 4 ASP C 1 1
4 425 1 1 1 ASP CA C -2.032 -7.418 0.240 1.00 . A A . 4 ASP CA 1 1
4 426 1 1 1 ASP CB C -3.343 -7.245 1.049 1.00 . A A . 4 ASP CB 1 1
4 427 1 1 1 ASP CG C -4.029 -8.557 1.436 1.00 . A A . 4 ASP CG 1 1
4 428 1 1 1 ASP H1 H -1.528 -8.900 1.597 1.00 . A A . 4 ASP H1 1 1
4 429 1 1 1 ASP H2 H -0.168 -8.439 0.631 1.00 . A A . 4 ASP H2 1 1
4 430 1 1 1 ASP H3 H -0.640 -7.500 1.818 1.00 . A A . 4 ASP H3 1 1
4 431 1 1 1 ASP HA H -2.243 -8.080 -0.624 1.00 . A A . 4 ASP HA 1 1
4 432 1 1 1 ASP HB2 H -3.172 -6.655 1.968 1.00 . A A . 4 ASP HB2 1 1
4 433 1 1 1 ASP HB3 H -4.068 -6.651 0.461 1.00 . A A . 4 ASP HB3 1 1
4 434 1 1 1 ASP N N -1.057 -8.118 1.109 1.00 . A A . 4 ASP N 1 1
4 435 1 1 1 ASP O O -0.691 -5.382 0.349 1.00 . A A . 4 ASP O 1 1
4 436 1 1 1 ASP OD1 O -3.348 -9.414 2.045 1.00 . A A . 4 ASP OD1 1 1
4 437 1 1 1 ASP OD2 O -5.219 -8.743 1.117 1.00 . A A . 4 ASP OD2 1 1
4 438 1 1 2 CYS C C -2.552 -3.222 -1.974 1.00 . A A . 5 CYS C 1 1
4 439 1 1 2 CYS CA C -1.510 -4.372 -2.138 1.00 . A A . 5 CYS CA 1 1
4 440 1 1 2 CYS CB C -1.150 -4.656 -3.607 1.00 . A A . 5 CYS CB 1 1
4 441 1 1 2 CYS H H -2.616 -6.256 -1.982 1.00 . A A . 5 CYS H 1 1
4 442 1 1 2 CYS HA H -0.572 -4.041 -1.656 1.00 . A A . 5 CYS HA 1 1
4 443 1 1 2 CYS HB2 H -2.018 -5.042 -4.171 1.00 . A A . 5 CYS HB2 1 1
4 444 1 1 2 CYS HB3 H -0.843 -3.716 -4.099 1.00 . A A . 5 CYS HB3 1 1
4 445 1 1 2 CYS N N -1.936 -5.650 -1.515 1.00 . A A . 5 CYS N 1 1
4 446 1 1 2 CYS O O -3.760 -3.398 -2.163 1.00 . A A . 5 CYS O 1 1
4 447 1 1 2 CYS SG S 0.231 -5.823 -3.685 1.00 . A A . 5 CYS SG 1 1
4 448 1 1 3 PHE C C -2.066 0.459 -1.192 1.00 . A A . 6 PHE C 1 1
4 449 1 1 3 PHE CA C -2.880 -0.893 -1.127 1.00 . A A . 6 PHE CA 1 1
4 450 1 1 3 PHE CB C -3.438 -1.158 0.307 1.00 . A A . 6 PHE CB 1 1
4 451 1 1 3 PHE CD1 C -4.029 -3.352 1.487 1.00 . A A . 6 PHE CD1 1 1
4 452 1 1 3 PHE CD2 C -5.522 -2.537 -0.226 1.00 . A A . 6 PHE CD2 1 1
4 453 1 1 3 PHE CE1 C -4.844 -4.469 1.665 1.00 . A A . 6 PHE CE1 1 1
4 454 1 1 3 PHE CE2 C -6.333 -3.655 -0.052 1.00 . A A . 6 PHE CE2 1 1
4 455 1 1 3 PHE CG C -4.359 -2.381 0.535 1.00 . A A . 6 PHE CG 1 1
4 456 1 1 3 PHE CZ C -5.994 -4.620 0.893 1.00 . A A . 6 PHE CZ 1 1
4 457 1 1 3 PHE H H -1.030 -2.018 -1.486 1.00 . A A . 6 PHE H 1 1
4 458 1 1 3 PHE HA H -3.747 -0.822 -1.809 1.00 . A A . 6 PHE HA 1 1
4 459 1 1 3 PHE HB2 H -2.572 -1.231 0.982 1.00 . A A . 6 PHE HB2 1 1
4 460 1 1 3 PHE HB3 H -3.959 -0.247 0.659 1.00 . A A . 6 PHE HB3 1 1
4 461 1 1 3 PHE HD1 H -3.133 -3.250 2.081 1.00 . A A . 6 PHE HD1 1 1
4 462 1 1 3 PHE HD2 H -5.793 -1.795 -0.962 1.00 . A A . 6 PHE HD2 1 1
4 463 1 1 3 PHE HE1 H -4.581 -5.222 2.394 1.00 . A A . 6 PHE HE1 1 1
4 464 1 1 3 PHE HE2 H -7.223 -3.773 -0.656 1.00 . A A . 6 PHE HE2 1 1
4 465 1 1 3 PHE HZ H -6.621 -5.491 1.024 1.00 . A A . 6 PHE HZ 1 1
4 466 1 1 3 PHE N N -2.054 -2.037 -1.591 1.00 . A A . 6 PHE N 1 1
4 467 1 1 3 PHE O O -0.919 0.447 -0.728 1.00 . A A . 6 PHE O 1 1
4 468 1 1 4 . C C -0.465 2.992 -2.240 1.00 . A A . 7 E9M C 1 1
4 469 1 1 4 . CA C -1.837 2.956 -1.464 1.00 . A A . 7 E9M CA 1 1
4 470 1 1 4 . CB C -1.858 3.307 0.070 1.00 . A A . 7 E9M CB 1 1
4 471 1 1 4 . CD1 C -1.032 5.832 -0.166 1.00 . A A . 7 E9M CD1 1 1
4 472 1 1 4 . CD2 C -0.939 4.947 1.873 1.00 . A A . 7 E9M CD2 1 1
4 473 1 1 4 . CE2 C -0.420 6.266 1.903 1.00 . A A . 7 E9M CE2 1 1
4 474 1 1 4 . CE3 C -0.998 4.173 3.062 1.00 . A A . 7 E9M CE3 1 1
4 475 1 1 4 . CG C -1.319 4.659 0.574 1.00 . A A . 7 E9M CG 1 1
4 476 1 1 4 . CH2 C -0.015 6.041 4.277 1.00 . A A . 7 E9M CH2 1 1
4 477 1 1 4 . CN2 C -3.937 1.703 -2.282 1.00 . A A . 7 E9M CN2 1 1
4 478 1 1 4 . CZ2 C 0.047 6.818 3.118 1.00 . A A . 7 E9M CZ2 1 1
4 479 1 1 4 . CZ3 C -0.533 4.740 4.250 1.00 . A A . 7 E9M CZ3 1 1
4 480 1 1 4 . HA H -2.410 3.767 -1.949 1.00 . A A . 7 E9M HA 1 1
4 481 1 1 4 . HB2 H -2.885 3.188 0.446 1.00 . A A . 7 E9M HB2 1 1
4 482 1 1 4 . HB3 H -1.303 2.517 0.608 1.00 . A A . 7 E9M HB3 1 1
4 483 1 1 4 . HD1 H -1.192 5.934 -1.230 1.00 . A A . 7 E9M HD1 1 1
4 484 1 1 4 . HE1 H -0.218 7.798 0.381 1.00 . A A . 7 E9M HE1 1 1
4 485 1 1 4 . HE3 H -1.397 3.167 3.052 1.00 . A A . 7 E9M HE3 1 1
4 486 1 1 4 . HH2 H 0.331 6.454 5.214 1.00 . A A . 7 E9M HH2 1 1
4 487 1 1 4 . HN1 H -4.222 2.717 -2.620 1.00 . A A . 7 E9M HN1 1 1
4 488 1 1 4 . HN2 H -3.989 1.058 -3.181 1.00 . A A . 7 E9M HN2 1 1
4 489 1 1 4 . HN3 H -4.728 1.376 -1.581 1.00 . A A . 7 E9M HN3 1 1
4 490 1 1 4 . HZ2 H 0.434 7.826 3.149 1.00 . A A . 7 E9M HZ2 1 1
4 491 1 1 4 . HZ3 H -0.575 4.165 5.164 1.00 . A A . 7 E9M HZ3 1 1
4 492 1 1 4 . N N -2.589 1.653 -1.653 1.00 . A A . 7 E9M N 1 1
4 493 1 1 4 . NE1 N -0.459 6.835 0.642 1.00 . A A . 7 E9M NE1 1 1
4 494 1 1 4 . O O -0.423 2.826 -3.460 1.00 . A A . 7 E9M O 1 1
4 495 1 1 5 LYS C C 2.695 1.603 -1.622 1.00 . A A . 8 LYS C 1 1
4 496 1 1 5 LYS CA C 2.033 2.980 -2.008 1.00 . A A . 8 LYS CA 1 1
4 497 1 1 5 LYS CB C 2.845 4.210 -1.500 1.00 . A A . 8 LYS CB 1 1
4 498 1 1 5 LYS CD C 3.780 5.638 0.443 1.00 . A A . 8 LYS CD 1 1
4 499 1 1 5 LYS CE C 3.922 5.747 1.973 1.00 . A A . 8 LYS CE 1 1
4 500 1 1 5 LYS CG C 3.024 4.360 0.037 1.00 . A A . 8 LYS CG 1 1
4 501 1 1 5 LYS H H 0.457 3.387 -0.530 1.00 . A A . 8 LYS H 1 1
4 502 1 1 5 LYS HA H 2.049 3.011 -3.116 1.00 . A A . 8 LYS HA 1 1
4 503 1 1 5 LYS HB2 H 3.844 4.169 -1.969 1.00 . A A . 8 LYS HB2 1 1
4 504 1 1 5 LYS HB3 H 2.390 5.133 -1.912 1.00 . A A . 8 LYS HB3 1 1
4 505 1 1 5 LYS HD2 H 4.775 5.644 -0.045 1.00 . A A . 8 LYS HD2 1 1
4 506 1 1 5 LYS HD3 H 3.239 6.519 0.040 1.00 . A A . 8 LYS HD3 1 1
4 507 1 1 5 LYS HE2 H 2.919 5.707 2.457 1.00 . A A . 8 LYS HE2 1 1
4 508 1 1 5 LYS HE3 H 4.460 4.857 2.369 1.00 . A A . 8 LYS HE3 1 1
4 509 1 1 5 LYS HG2 H 2.031 4.354 0.529 1.00 . A A . 8 LYS HG2 1 1
4 510 1 1 5 LYS HG3 H 3.546 3.465 0.430 1.00 . A A . 8 LYS HG3 1 1
4 511 1 1 5 LYS HZ1 H 5.576 7.049 1.915 1.00 . A A . 8 LYS HZ1 1 1
4 512 1 1 5 LYS HZ2 H 4.144 7.841 1.997 1.00 . A A . 8 LYS HZ2 1 1
4 513 1 1 5 LYS HZ3 H 4.763 7.126 3.343 1.00 . A A . 8 LYS HZ3 1 1
4 514 1 1 5 LYS N N 0.644 3.196 -1.519 1.00 . A A . 8 LYS N 1 1
4 515 1 1 5 LYS NZ N 4.635 7.002 2.330 1.00 . A A . 8 LYS NZ 1 1
4 516 1 1 5 LYS O O 3.902 1.442 -1.820 1.00 . A A . 8 LYS O 1 1
4 517 1 1 6 TYR C C 2.010 -1.860 -1.269 1.00 . A A . 9 TYR C 1 1
4 518 1 1 6 TYR CA C 2.502 -0.614 -0.475 1.00 . A A . 9 TYR CA 1 1
4 519 1 1 6 TYR CB C 2.004 -0.691 0.996 1.00 . A A . 9 TYR CB 1 1
4 520 1 1 6 TYR CD1 C 1.826 1.516 2.258 1.00 . A A . 9 TYR CD1 1 1
4 521 1 1 6 TYR CD2 C 3.831 0.198 2.540 1.00 . A A . 9 TYR CD2 1 1
4 522 1 1 6 TYR CE1 C 2.351 2.491 3.104 1.00 . A A . 9 TYR CE1 1 1
4 523 1 1 6 TYR CE2 C 4.352 1.174 3.388 1.00 . A A . 9 TYR CE2 1 1
4 524 1 1 6 TYR CG C 2.566 0.366 1.966 1.00 . A A . 9 TYR CG 1 1
4 525 1 1 6 TYR CZ C 3.612 2.321 3.665 1.00 . A A . 9 TYR CZ 1 1
4 526 1 1 6 TYR H H 0.944 0.851 -0.925 1.00 . A A . 9 TYR H 1 1
4 527 1 1 6 TYR HA H 3.611 -0.592 -0.469 1.00 . A A . 9 TYR HA 1 1
4 528 1 1 6 TYR HB2 H 0.896 -0.670 1.008 1.00 . A A . 9 TYR HB2 1 1
4 529 1 1 6 TYR HB3 H 2.240 -1.693 1.392 1.00 . A A . 9 TYR HB3 1 1
4 530 1 1 6 TYR HD1 H 0.848 1.661 1.821 1.00 . A A . 9 TYR HD1 1 1
4 531 1 1 6 TYR HD2 H 4.416 -0.685 2.322 1.00 . A A . 9 TYR HD2 1 1
4 532 1 1 6 TYR HE1 H 1.787 3.383 3.323 1.00 . A A . 9 TYR HE1 1 1
4 533 1 1 6 TYR HE2 H 5.333 1.036 3.817 1.00 . A A . 9 TYR HE2 1 1
4 534 1 1 6 TYR HH H 4.872 2.921 4.961 1.00 . A A . 9 TYR HH 1 1
4 535 1 1 6 TYR N N 1.945 0.628 -1.069 1.00 . A A . 9 TYR N 1 1
4 536 1 1 6 TYR O O 0.813 -1.997 -1.544 1.00 . A A . 9 TYR O 1 1
4 537 1 1 6 TYR OH O 4.129 3.293 4.479 1.00 . A A . 9 TYR OH 1 1
4 538 1 1 7 CYS C C 3.278 -5.300 -1.739 1.00 . A A . 10 CYS C 1 1
4 539 1 1 7 CYS CA C 2.545 -4.050 -2.314 1.00 . A A . 10 CYS CA 1 1
4 540 1 1 7 CYS CB C 2.692 -3.840 -3.839 1.00 . A A . 10 CYS CB 1 1
4 541 1 1 7 CYS H H 3.878 -2.596 -1.300 1.00 . A A . 10 CYS H 1 1
4 542 1 1 7 CYS HA H 1.474 -4.243 -2.153 1.00 . A A . 10 CYS HA 1 1
4 543 1 1 7 CYS HB2 H 2.313 -2.844 -4.138 1.00 . A A . 10 CYS HB2 1 1
4 544 1 1 7 CYS HB3 H 3.753 -3.871 -4.154 1.00 . A A . 10 CYS HB3 1 1
4 545 1 1 7 CYS N N 2.921 -2.791 -1.609 1.00 . A A . 10 CYS N 1 1
4 546 1 1 7 CYS O O 4.303 -5.745 -2.265 1.00 . A A . 10 CYS O 1 1
4 547 1 1 7 CYS SG S 1.737 -5.062 -4.776 1.00 . A A . 10 CYS SG 1 1
4 548 1 1 8 VAL C C 1.963 -7.790 0.636 1.00 . A A . 11 VAL C 1 1
4 549 1 1 8 VAL CA C 3.197 -7.151 -0.063 1.00 . A A . 11 VAL CA 1 1
4 550 1 1 8 VAL CB C 4.510 -7.004 0.789 1.00 . A A . 11 VAL CB 1 1
4 551 1 1 8 VAL CG1 C 4.421 -6.077 2.025 1.00 . A A . 11 VAL CG1 1 1
4 552 1 1 8 VAL CG2 C 5.084 -8.368 1.226 1.00 . A A . 11 VAL CG2 1 1
4 553 1 1 8 VAL H H 1.877 -5.425 -0.285 1.00 . A A . 11 VAL H 1 1
4 554 1 1 8 VAL HA H 3.436 -7.842 -0.897 1.00 . A A . 11 VAL HA 1 1
4 555 1 1 8 VAL HB H 5.265 -6.554 0.115 1.00 . A A . 11 VAL HB 1 1
4 556 1 1 8 VAL HG11 H 3.718 -6.472 2.782 1.00 . A A . 11 VAL HG11 1 1
4 557 1 1 8 VAL HG12 H 5.401 -5.946 2.519 1.00 . A A . 11 VAL HG12 1 1
4 558 1 1 8 VAL HG13 H 4.059 -5.070 1.749 1.00 . A A . 11 VAL HG13 1 1
4 559 1 1 8 VAL HG21 H 6.057 -8.265 1.740 1.00 . A A . 11 VAL HG21 1 1
4 560 1 1 8 VAL HG22 H 4.399 -8.893 1.921 1.00 . A A . 11 VAL HG22 1 1
4 561 1 1 8 VAL HG23 H 5.245 -9.040 0.363 1.00 . A A . 11 VAL HG23 1 1
4 562 1 1 8 VAL N N 2.726 -5.867 -0.652 1.00 . A A . 11 VAL N 1 1
4 563 1 1 8 VAL O O 1.306 -8.670 0.028 1.00 . A A . 11 VAL O 1 1
4 564 1 1 8 VAL OXT O 1.582 -7.386 1.760 1.00 . A A . 11 VAL OXT 1 1
5 565 1 1 1 ASP C C -1.399 -5.799 -0.104 1.00 . A A . 4 ASP C 1 1
5 566 1 1 1 ASP CA C -2.082 -6.907 0.758 1.00 . A A . 4 ASP CA 1 1
5 567 1 1 1 ASP CB C -2.837 -6.299 1.968 1.00 . A A . 4 ASP CB 1 1
5 568 1 1 1 ASP CG C -3.658 -7.302 2.780 1.00 . A A . 4 ASP CG 1 1
5 569 1 1 1 ASP H1 H -1.545 -8.364 2.104 1.00 . A A . 4 ASP H1 1 1
5 570 1 1 1 ASP H2 H -0.824 -8.636 0.595 1.00 . A A . 4 ASP H2 1 1
5 571 1 1 1 ASP H3 H -0.181 -7.530 1.552 1.00 . A A . 4 ASP H3 1 1
5 572 1 1 1 ASP HA H -2.830 -7.439 0.136 1.00 . A A . 4 ASP HA 1 1
5 573 1 1 1 ASP HB2 H -2.139 -5.784 2.653 1.00 . A A . 4 ASP HB2 1 1
5 574 1 1 1 ASP HB3 H -3.525 -5.505 1.617 1.00 . A A . 4 ASP HB3 1 1
5 575 1 1 1 ASP N N -1.125 -7.919 1.266 1.00 . A A . 4 ASP N 1 1
5 576 1 1 1 ASP O O -0.434 -5.162 0.336 1.00 . A A . 4 ASP O 1 1
5 577 1 1 1 ASP OD1 O -4.872 -7.093 2.964 1.00 . A A . 4 ASP OD1 1 1
5 578 1 1 1 ASP OD2 O -3.071 -8.322 3.206 1.00 . A A . 4 ASP OD2 1 1
5 579 1 1 2 CYS C C -2.518 -3.170 -1.979 1.00 . A A . 5 CYS C 1 1
5 580 1 1 2 CYS CA C -1.512 -4.354 -2.121 1.00 . A A . 5 CYS CA 1 1
5 581 1 1 2 CYS CB C -1.251 -4.805 -3.564 1.00 . A A . 5 CYS CB 1 1
5 582 1 1 2 CYS H H -2.733 -6.090 -1.606 1.00 . A A . 5 CYS H 1 1
5 583 1 1 2 CYS HA H -0.538 -4.001 -1.750 1.00 . A A . 5 CYS HA 1 1
5 584 1 1 2 CYS HB2 H -2.150 -5.258 -4.018 1.00 . A A . 5 CYS HB2 1 1
5 585 1 1 2 CYS HB3 H -0.984 -3.930 -4.181 1.00 . A A . 5 CYS HB3 1 1
5 586 1 1 2 CYS N N -1.929 -5.528 -1.316 1.00 . A A . 5 CYS N 1 1
5 587 1 1 2 CYS O O -3.735 -3.317 -2.131 1.00 . A A . 5 CYS O 1 1
5 588 1 1 2 CYS SG S 0.136 -5.971 -3.576 1.00 . A A . 5 CYS SG 1 1
5 589 1 1 3 PHE C C -1.979 0.462 -1.147 1.00 . A A . 6 PHE C 1 1
5 590 1 1 3 PHE CA C -2.755 -0.901 -0.981 1.00 . A A . 6 PHE CA 1 1
5 591 1 1 3 PHE CB C -3.025 -1.258 0.517 1.00 . A A . 6 PHE CB 1 1
5 592 1 1 3 PHE CD1 C -3.187 0.644 2.203 1.00 . A A . 6 PHE CD1 1 1
5 593 1 1 3 PHE CD2 C -5.215 -0.102 1.122 1.00 . A A . 6 PHE CD2 1 1
5 594 1 1 3 PHE CE1 C -3.910 1.621 2.884 1.00 . A A . 6 PHE CE1 1 1
5 595 1 1 3 PHE CE2 C -5.936 0.877 1.803 1.00 . A A . 6 PHE CE2 1 1
5 596 1 1 3 PHE CG C -3.835 -0.218 1.312 1.00 . A A . 6 PHE CG 1 1
5 597 1 1 3 PHE CZ C -5.283 1.739 2.681 1.00 . A A . 6 PHE CZ 1 1
5 598 1 1 3 PHE H H -0.945 -1.997 -1.658 1.00 . A A . 6 PHE H 1 1
5 599 1 1 3 PHE HA H -3.743 -0.834 -1.474 1.00 . A A . 6 PHE HA 1 1
5 600 1 1 3 PHE HB2 H -3.556 -2.229 0.573 1.00 . A A . 6 PHE HB2 1 1
5 601 1 1 3 PHE HB3 H -2.061 -1.459 1.027 1.00 . A A . 6 PHE HB3 1 1
5 602 1 1 3 PHE HD1 H -2.123 0.559 2.364 1.00 . A A . 6 PHE HD1 1 1
5 603 1 1 3 PHE HD2 H -5.729 -0.771 0.445 1.00 . A A . 6 PHE HD2 1 1
5 604 1 1 3 PHE HE1 H -3.409 2.284 3.575 1.00 . A A . 6 PHE HE1 1 1
5 605 1 1 3 PHE HE2 H -7.003 0.965 1.652 1.00 . A A . 6 PHE HE2 1 1
5 606 1 1 3 PHE HZ H -5.844 2.495 3.211 1.00 . A A . 6 PHE HZ 1 1
5 607 1 1 3 PHE N N -1.977 -2.004 -1.599 1.00 . A A . 6 PHE N 1 1
5 608 1 1 3 PHE O O -0.948 0.607 -0.476 1.00 . A A . 6 PHE O 1 1
5 609 1 1 4 . C C -0.438 3.097 -2.245 1.00 . A A . 7 E9M C 1 1
5 610 1 1 4 . CA C -1.909 2.914 -1.739 1.00 . A A . 7 E9M CA 1 1
5 611 1 1 4 . CB C -2.261 3.421 -0.299 1.00 . A A . 7 E9M CB 1 1
5 612 1 1 4 . CD1 C -2.132 6.033 -0.771 1.00 . A A . 7 E9M CD1 1 1
5 613 1 1 4 . CD2 C -1.696 5.389 1.313 1.00 . A A . 7 E9M CD2 1 1
5 614 1 1 4 . CE2 C -1.636 6.802 1.232 1.00 . A A . 7 E9M CE2 1 1
5 615 1 1 4 . CE3 C -1.495 4.731 2.552 1.00 . A A . 7 E9M CE3 1 1
5 616 1 1 4 . CG C -2.014 4.896 0.060 1.00 . A A . 7 E9M CG 1 1
5 617 1 1 4 . CH2 C -1.213 6.906 3.613 1.00 . A A . 7 E9M CH2 1 1
5 618 1 1 4 . CN2 C -3.583 1.320 -2.855 1.00 . A A . 7 E9M CN2 1 1
5 619 1 1 4 . CZ2 C -1.396 7.569 2.397 1.00 . A A . 7 E9M CZ2 1 1
5 620 1 1 4 . CZ3 C -1.259 5.507 3.688 1.00 . A A . 7 E9M CZ3 1 1
5 621 1 1 4 . HA H -2.479 3.584 -2.410 1.00 . A A . 7 E9M HA 1 1
5 622 1 1 4 . HB2 H -3.311 3.174 -0.087 1.00 . A A . 7 E9M HB2 1 1
5 623 1 1 4 . HB3 H -1.718 2.795 0.432 1.00 . A A . 7 E9M HB3 1 1
5 624 1 1 4 . HD1 H -2.413 5.999 -1.816 1.00 . A A . 7 E9M HD1 1 1
5 625 1 1 4 . HE1 H -1.984 8.193 -0.394 1.00 . A A . 7 E9M HE1 1 1
5 626 1 1 4 . HE3 H -1.538 3.654 2.608 1.00 . A A . 7 E9M HE3 1 1
5 627 1 1 4 . HH2 H -1.052 7.482 4.514 1.00 . A A . 7 E9M HH2 1 1
5 628 1 1 4 . HN1 H -4.549 1.292 -2.313 1.00 . A A . 7 E9M HN1 1 1
5 629 1 1 4 . HN2 H -3.655 2.130 -3.605 1.00 . A A . 7 E9M HN2 1 1
5 630 1 1 4 . HN3 H -3.491 0.382 -3.438 1.00 . A A . 7 E9M HN3 1 1
5 631 1 1 4 . HZ2 H -1.378 8.648 2.348 1.00 . A A . 7 E9M HZ2 1 1
5 632 1 1 4 . HZ3 H -1.129 5.021 4.646 1.00 . A A . 7 E9M HZ3 1 1
5 633 1 1 4 . N N -2.444 1.509 -1.916 1.00 . A A . 7 E9M N 1 1
5 634 1 1 4 . NE1 N -1.878 7.227 -0.062 1.00 . A A . 7 E9M NE1 1 1
5 635 1 1 4 . O O -0.198 3.163 -3.452 1.00 . A A . 7 E9M O 1 1
5 636 1 1 5 LYS C C 2.619 1.666 -1.576 1.00 . A A . 8 LYS C 1 1
5 637 1 1 5 LYS CA C 1.984 3.105 -1.637 1.00 . A A . 8 LYS CA 1 1
5 638 1 1 5 LYS CB C 2.695 4.051 -0.625 1.00 . A A . 8 LYS CB 1 1
5 639 1 1 5 LYS CD C 3.168 6.453 0.242 1.00 . A A . 8 LYS CD 1 1
5 640 1 1 5 LYS CE C 2.374 6.985 1.453 1.00 . A A . 8 LYS CE 1 1
5 641 1 1 5 LYS CG C 2.383 5.565 -0.757 1.00 . A A . 8 LYS CG 1 1
5 642 1 1 5 LYS H H 0.182 3.052 -0.367 1.00 . A A . 8 LYS H 1 1
5 643 1 1 5 LYS HA H 2.177 3.482 -2.662 1.00 . A A . 8 LYS HA 1 1
5 644 1 1 5 LYS HB2 H 2.502 3.702 0.407 1.00 . A A . 8 LYS HB2 1 1
5 645 1 1 5 LYS HB3 H 3.787 3.922 -0.748 1.00 . A A . 8 LYS HB3 1 1
5 646 1 1 5 LYS HD2 H 4.103 5.956 0.572 1.00 . A A . 8 LYS HD2 1 1
5 647 1 1 5 LYS HD3 H 3.537 7.336 -0.319 1.00 . A A . 8 LYS HD3 1 1
5 648 1 1 5 LYS HE2 H 2.992 7.728 2.003 1.00 . A A . 8 LYS HE2 1 1
5 649 1 1 5 LYS HE3 H 1.495 7.567 1.093 1.00 . A A . 8 LYS HE3 1 1
5 650 1 1 5 LYS HG2 H 2.628 5.877 -1.790 1.00 . A A . 8 LYS HG2 1 1
5 651 1 1 5 LYS HG3 H 1.291 5.747 -0.675 1.00 . A A . 8 LYS HG3 1 1
5 652 1 1 5 LYS HZ1 H 2.715 5.343 2.780 1.00 . A A . 8 LYS HZ1 1 1
5 653 1 1 5 LYS HZ2 H 1.363 6.208 3.151 1.00 . A A . 8 LYS HZ2 1 1
5 654 1 1 5 LYS HZ3 H 1.371 5.195 1.867 1.00 . A A . 8 LYS HZ3 1 1
5 655 1 1 5 LYS N N 0.530 3.176 -1.321 1.00 . A A . 8 LYS N 1 1
5 656 1 1 5 LYS NZ N 1.943 5.890 2.363 1.00 . A A . 8 LYS NZ 1 1
5 657 1 1 5 LYS O O 3.818 1.535 -1.834 1.00 . A A . 8 LYS O 1 1
5 658 1 1 6 TYR C C 2.006 -1.881 -1.458 1.00 . A A . 9 TYR C 1 1
5 659 1 1 6 TYR CA C 2.458 -0.637 -0.635 1.00 . A A . 9 TYR CA 1 1
5 660 1 1 6 TYR CB C 1.975 -0.754 0.845 1.00 . A A . 9 TYR CB 1 1
5 661 1 1 6 TYR CD1 C 1.312 1.281 2.231 1.00 . A A . 9 TYR CD1 1 1
5 662 1 1 6 TYR CD2 C 3.652 0.687 2.134 1.00 . A A . 9 TYR CD2 1 1
5 663 1 1 6 TYR CE1 C 1.631 2.408 2.985 1.00 . A A . 9 TYR CE1 1 1
5 664 1 1 6 TYR CE2 C 3.969 1.821 2.880 1.00 . A A . 9 TYR CE2 1 1
5 665 1 1 6 TYR CG C 2.323 0.417 1.793 1.00 . A A . 9 TYR CG 1 1
5 666 1 1 6 TYR CZ C 2.959 2.686 3.296 1.00 . A A . 9 TYR CZ 1 1
5 667 1 1 6 TYR H H 0.888 0.837 -0.966 1.00 . A A . 9 TYR H 1 1
5 668 1 1 6 TYR HA H 3.566 -0.590 -0.636 1.00 . A A . 9 TYR HA 1 1
5 669 1 1 6 TYR HB2 H 0.880 -0.929 0.848 1.00 . A A . 9 TYR HB2 1 1
5 670 1 1 6 TYR HB3 H 2.387 -1.681 1.272 1.00 . A A . 9 TYR HB3 1 1
5 671 1 1 6 TYR HD1 H 0.281 1.091 1.969 1.00 . A A . 9 TYR HD1 1 1
5 672 1 1 6 TYR HD2 H 4.446 0.039 1.790 1.00 . A A . 9 TYR HD2 1 1
5 673 1 1 6 TYR HE1 H 0.847 3.064 3.330 1.00 . A A . 9 TYR HE1 1 1
5 674 1 1 6 TYR HE2 H 5.003 2.032 3.112 1.00 . A A . 9 TYR HE2 1 1
5 675 1 1 6 TYR HH H 4.124 3.685 4.417 1.00 . A A . 9 TYR HH 1 1
5 676 1 1 6 TYR N N 1.874 0.611 -1.192 1.00 . A A . 9 TYR N 1 1
5 677 1 1 6 TYR O O 0.838 -1.981 -1.847 1.00 . A A . 9 TYR O 1 1
5 678 1 1 6 TYR OH O 3.278 3.828 3.983 1.00 . A A . 9 TYR OH 1 1
5 679 1 1 7 CYS C C 3.244 -5.370 -1.653 1.00 . A A . 10 CYS C 1 1
5 680 1 1 7 CYS CA C 2.525 -4.157 -2.316 1.00 . A A . 10 CYS CA 1 1
5 681 1 1 7 CYS CB C 2.657 -4.050 -3.854 1.00 . A A . 10 CYS CB 1 1
5 682 1 1 7 CYS H H 3.849 -2.684 -1.325 1.00 . A A . 10 CYS H 1 1
5 683 1 1 7 CYS HA H 1.456 -4.336 -2.137 1.00 . A A . 10 CYS HA 1 1
5 684 1 1 7 CYS HB2 H 2.309 -3.063 -4.212 1.00 . A A . 10 CYS HB2 1 1
5 685 1 1 7 CYS HB3 H 3.713 -4.135 -4.175 1.00 . A A . 10 CYS HB3 1 1
5 686 1 1 7 CYS N N 2.906 -2.858 -1.688 1.00 . A A . 10 CYS N 1 1
5 687 1 1 7 CYS O O 4.232 -5.896 -2.175 1.00 . A A . 10 CYS O 1 1
5 688 1 1 7 CYS SG S 1.652 -5.292 -4.712 1.00 . A A . 10 CYS SG 1 1
5 689 1 1 8 VAL C C 1.924 -7.707 0.804 1.00 . A A . 11 VAL C 1 1
5 690 1 1 8 VAL CA C 3.193 -7.024 0.225 1.00 . A A . 11 VAL CA 1 1
5 691 1 1 8 VAL CB C 4.324 -6.779 1.289 1.00 . A A . 11 VAL CB 1 1
5 692 1 1 8 VAL CG1 C 5.716 -6.582 0.651 1.00 . A A . 11 VAL CG1 1 1
5 693 1 1 8 VAL CG2 C 4.081 -5.632 2.301 1.00 . A A . 11 VAL CG2 1 1
5 694 1 1 8 VAL H H 1.874 -5.333 -0.161 1.00 . A A . 11 VAL H 1 1
5 695 1 1 8 VAL HA H 3.584 -7.755 -0.512 1.00 . A A . 11 VAL HA 1 1
5 696 1 1 8 VAL HB H 4.388 -7.711 1.882 1.00 . A A . 11 VAL HB 1 1
5 697 1 1 8 VAL HG11 H 5.768 -5.650 0.058 1.00 . A A . 11 VAL HG11 1 1
5 698 1 1 8 VAL HG12 H 6.519 -6.535 1.410 1.00 . A A . 11 VAL HG12 1 1
5 699 1 1 8 VAL HG13 H 5.971 -7.411 -0.035 1.00 . A A . 11 VAL HG13 1 1
5 700 1 1 8 VAL HG21 H 4.874 -5.579 3.069 1.00 . A A . 11 VAL HG21 1 1
5 701 1 1 8 VAL HG22 H 4.032 -4.646 1.802 1.00 . A A . 11 VAL HG22 1 1
5 702 1 1 8 VAL HG23 H 3.124 -5.768 2.839 1.00 . A A . 11 VAL HG23 1 1
5 703 1 1 8 VAL N N 2.722 -5.808 -0.493 1.00 . A A . 11 VAL N 1 1
5 704 1 1 8 VAL O O 1.435 -8.692 0.204 1.00 . A A . 11 VAL O 1 1
5 705 1 1 8 VAL OXT O 1.355 -7.242 1.822 1.00 . A A . 11 VAL OXT 1 1
6 706 1 1 1 ASP C C -1.691 -5.708 -0.040 1.00 . A A . 4 ASP C 1 1
6 707 1 1 1 ASP CA C -2.324 -6.931 0.692 1.00 . A A . 4 ASP CA 1 1
6 708 1 1 1 ASP CB C -3.495 -6.501 1.609 1.00 . A A . 4 ASP CB 1 1
6 709 1 1 1 ASP CG C -4.290 -7.663 2.209 1.00 . A A . 4 ASP CG 1 1
6 710 1 1 1 ASP H1 H -0.521 -8.085 1.009 1.00 . A A . 4 ASP H1 1 1
6 711 1 1 1 ASP H2 H -0.781 -7.024 2.124 1.00 . A A . 4 ASP H2 1 1
6 712 1 1 1 ASP H3 H -1.817 -8.336 2.135 1.00 . A A . 4 ASP H3 1 1
6 713 1 1 1 ASP HA H -2.717 -7.642 -0.063 1.00 . A A . 4 ASP HA 1 1
6 714 1 1 1 ASP HB2 H -3.138 -5.854 2.433 1.00 . A A . 4 ASP HB2 1 1
6 715 1 1 1 ASP HB3 H -4.199 -5.868 1.038 1.00 . A A . 4 ASP HB3 1 1
6 716 1 1 1 ASP N N -1.335 -7.655 1.522 1.00 . A A . 4 ASP N 1 1
6 717 1 1 1 ASP O O -1.016 -4.883 0.588 1.00 . A A . 4 ASP O 1 1
6 718 1 1 1 ASP OD1 O -3.655 -8.556 2.815 1.00 . A A . 4 ASP OD1 1 1
6 719 1 1 1 ASP OD2 O -5.527 -7.698 2.058 1.00 . A A . 4 ASP OD2 1 1
6 720 1 1 2 CYS C C -2.505 -3.171 -1.983 1.00 . A A . 5 CYS C 1 1
6 721 1 1 2 CYS CA C -1.501 -4.359 -2.112 1.00 . A A . 5 CYS CA 1 1
6 722 1 1 2 CYS CB C -1.187 -4.762 -3.562 1.00 . A A . 5 CYS CB 1 1
6 723 1 1 2 CYS H H -2.532 -6.268 -1.800 1.00 . A A . 5 CYS H 1 1
6 724 1 1 2 CYS HA H -0.540 -4.032 -1.679 1.00 . A A . 5 CYS HA 1 1
6 725 1 1 2 CYS HB2 H -2.075 -5.179 -4.070 1.00 . A A . 5 CYS HB2 1 1
6 726 1 1 2 CYS HB3 H -0.882 -3.868 -4.135 1.00 . A A . 5 CYS HB3 1 1
6 727 1 1 2 CYS N N -1.939 -5.559 -1.358 1.00 . A A . 5 CYS N 1 1
6 728 1 1 2 CYS O O -3.721 -3.312 -2.148 1.00 . A A . 5 CYS O 1 1
6 729 1 1 2 CYS SG S 0.181 -5.949 -3.585 1.00 . A A . 5 CYS SG 1 1
6 730 1 1 3 PHE C C -1.979 0.451 -1.127 1.00 . A A . 6 PHE C 1 1
6 731 1 1 3 PHE CA C -2.745 -0.915 -0.959 1.00 . A A . 6 PHE CA 1 1
6 732 1 1 3 PHE CB C -2.987 -1.290 0.540 1.00 . A A . 6 PHE CB 1 1
6 733 1 1 3 PHE CD1 C -3.138 0.635 2.197 1.00 . A A . 6 PHE CD1 1 1
6 734 1 1 3 PHE CD2 C -5.187 -0.200 1.227 1.00 . A A . 6 PHE CD2 1 1
6 735 1 1 3 PHE CE1 C -3.860 1.605 2.890 1.00 . A A . 6 PHE CE1 1 1
6 736 1 1 3 PHE CE2 C -5.908 0.770 1.923 1.00 . A A . 6 PHE CE2 1 1
6 737 1 1 3 PHE CG C -3.796 -0.265 1.353 1.00 . A A . 6 PHE CG 1 1
6 738 1 1 3 PHE CZ C -5.243 1.672 2.750 1.00 . A A . 6 PHE CZ 1 1
6 739 1 1 3 PHE H H -0.933 -1.997 -1.651 1.00 . A A . 6 PHE H 1 1
6 740 1 1 3 PHE HA H -3.740 -0.851 -1.437 1.00 . A A . 6 PHE HA 1 1
6 741 1 1 3 PHE HB2 H -3.506 -2.268 0.595 1.00 . A A . 6 PHE HB2 1 1
6 742 1 1 3 PHE HB3 H -2.015 -1.484 1.035 1.00 . A A . 6 PHE HB3 1 1
6 743 1 1 3 PHE HD1 H -2.064 0.589 2.307 1.00 . A A . 6 PHE HD1 1 1
6 744 1 1 3 PHE HD2 H -5.710 -0.897 0.588 1.00 . A A . 6 PHE HD2 1 1
6 745 1 1 3 PHE HE1 H -3.348 2.302 3.538 1.00 . A A . 6 PHE HE1 1 1
6 746 1 1 3 PHE HE2 H -6.982 0.819 1.821 1.00 . A A . 6 PHE HE2 1 1
6 747 1 1 3 PHE HZ H -5.805 2.423 3.289 1.00 . A A . 6 PHE HZ 1 1
6 748 1 1 3 PHE N N -1.966 -2.007 -1.595 1.00 . A A . 6 PHE N 1 1
6 749 1 1 3 PHE O O -0.945 0.600 -0.461 1.00 . A A . 6 PHE O 1 1
6 750 1 1 4 . C C -0.421 3.048 -2.253 1.00 . A A . 7 E9M C 1 1
6 751 1 1 4 . CA C -1.895 2.897 -1.741 1.00 . A A . 7 E9M CA 1 1
6 752 1 1 4 . CB C -2.247 3.424 -0.307 1.00 . A A . 7 E9M CB 1 1
6 753 1 1 4 . CD1 C -2.111 6.028 -0.797 1.00 . A A . 7 E9M CD1 1 1
6 754 1 1 4 . CD2 C -1.552 5.390 1.260 1.00 . A A . 7 E9M CD2 1 1
6 755 1 1 4 . CE2 C -1.447 6.800 1.156 1.00 . A A . 7 E9M CE2 1 1
6 756 1 1 4 . CE3 C -1.281 4.740 2.491 1.00 . A A . 7 E9M CE3 1 1
6 757 1 1 4 . CG C -1.968 4.895 0.036 1.00 . A A . 7 E9M CG 1 1
6 758 1 1 4 . CH2 C -0.823 6.913 3.491 1.00 . A A . 7 E9M CH2 1 1
6 759 1 1 4 . CN2 C -3.602 1.308 -2.817 1.00 . A A . 7 E9M CN2 1 1
6 760 1 1 4 . CZ2 C -1.082 7.569 2.285 1.00 . A A . 7 E9M CZ2 1 1
6 761 1 1 4 . CZ3 C -0.917 5.519 3.591 1.00 . A A . 7 E9M CZ3 1 1
6 762 1 1 4 . HA H -2.454 3.564 -2.423 1.00 . A A . 7 E9M HA 1 1
6 763 1 1 4 . HB2 H -3.303 3.203 -0.098 1.00 . A A . 7 E9M HB2 1 1
6 764 1 1 4 . HB3 H -1.721 2.792 0.431 1.00 . A A . 7 E9M HB3 1 1
6 765 1 1 4 . HD1 H -2.448 5.990 -1.824 1.00 . A A . 7 E9M HD1 1 1
6 766 1 1 4 . HE1 H -1.844 8.185 -0.464 1.00 . A A . 7 E9M HE1 1 1
6 767 1 1 4 . HE3 H -1.372 3.666 2.577 1.00 . A A . 7 E9M HE3 1 1
6 768 1 1 4 . HH2 H -0.560 7.492 4.366 1.00 . A A . 7 E9M HH2 1 1
6 769 1 1 4 . HN1 H -3.690 2.120 -3.562 1.00 . A A . 7 E9M HN1 1 1
6 770 1 1 4 . HN2 H -3.515 0.373 -3.405 1.00 . A A . 7 E9M HN2 1 1
6 771 1 1 4 . HN3 H -4.558 1.275 -2.259 1.00 . A A . 7 E9M HN3 1 1
6 772 1 1 4 . HZ2 H -1.022 8.646 2.217 1.00 . A A . 7 E9M HZ2 1 1
6 773 1 1 4 . HZ3 H -0.723 5.038 4.540 1.00 . A A . 7 E9M HZ3 1 1
6 774 1 1 4 . N N -2.449 1.497 -1.896 1.00 . A A . 7 E9M N 1 1
6 775 1 1 4 . NE1 N -1.774 7.220 -0.121 1.00 . A A . 7 E9M NE1 1 1
6 776 1 1 4 . O O -0.173 3.013 -3.459 1.00 . A A . 7 E9M O 1 1
6 777 1 1 5 LYS C C 2.610 1.659 -1.604 1.00 . A A . 8 LYS C 1 1
6 778 1 1 5 LYS CA C 2.000 3.110 -1.639 1.00 . A A . 8 LYS CA 1 1
6 779 1 1 5 LYS CB C 2.728 4.001 -0.589 1.00 . A A . 8 LYS CB 1 1
6 780 1 1 5 LYS CD C 3.148 6.346 0.467 1.00 . A A . 8 LYS CD 1 1
6 781 1 1 5 LYS CE C 2.653 6.072 1.901 1.00 . A A . 8 LYS CE 1 1
6 782 1 1 5 LYS CG C 2.411 5.522 -0.612 1.00 . A A . 8 LYS CG 1 1
6 783 1 1 5 LYS H H 0.195 3.225 -0.374 1.00 . A A . 8 LYS H 1 1
6 784 1 1 5 LYS HA H 2.208 3.516 -2.650 1.00 . A A . 8 LYS HA 1 1
6 785 1 1 5 LYS HB2 H 2.536 3.585 0.419 1.00 . A A . 8 LYS HB2 1 1
6 786 1 1 5 LYS HB3 H 3.818 3.882 -0.726 1.00 . A A . 8 LYS HB3 1 1
6 787 1 1 5 LYS HD2 H 4.240 6.166 0.382 1.00 . A A . 8 LYS HD2 1 1
6 788 1 1 5 LYS HD3 H 3.013 7.418 0.220 1.00 . A A . 8 LYS HD3 1 1
6 789 1 1 5 LYS HE2 H 1.551 6.203 1.952 1.00 . A A . 8 LYS HE2 1 1
6 790 1 1 5 LYS HE3 H 2.823 5.008 2.171 1.00 . A A . 8 LYS HE3 1 1
6 791 1 1 5 LYS HG2 H 2.672 5.920 -1.612 1.00 . A A . 8 LYS HG2 1 1
6 792 1 1 5 LYS HG3 H 1.318 5.691 -0.527 1.00 . A A . 8 LYS HG3 1 1
6 793 1 1 5 LYS HZ1 H 4.365 6.865 2.833 1.00 . A A . 8 LYS HZ1 1 1
6 794 1 1 5 LYS HZ2 H 3.155 7.962 2.689 1.00 . A A . 8 LYS HZ2 1 1
6 795 1 1 5 LYS HZ3 H 3.073 6.791 3.845 1.00 . A A . 8 LYS HZ3 1 1
6 796 1 1 5 LYS N N 0.544 3.205 -1.336 1.00 . A A . 8 LYS N 1 1
6 797 1 1 5 LYS NZ N 3.343 6.966 2.868 1.00 . A A . 8 LYS NZ 1 1
6 798 1 1 5 LYS O O 3.789 1.499 -1.933 1.00 . A A . 8 LYS O 1 1
6 799 1 1 6 TYR C C 2.011 -1.856 -1.479 1.00 . A A . 9 TYR C 1 1
6 800 1 1 6 TYR CA C 2.452 -0.630 -0.623 1.00 . A A . 9 TYR CA 1 1
6 801 1 1 6 TYR CB C 1.947 -0.785 0.844 1.00 . A A . 9 TYR CB 1 1
6 802 1 1 6 TYR CD1 C 1.367 1.284 2.218 1.00 . A A . 9 TYR CD1 1 1
6 803 1 1 6 TYR CD2 C 3.631 0.448 2.321 1.00 . A A . 9 TYR CD2 1 1
6 804 1 1 6 TYR CE1 C 1.719 2.340 3.057 1.00 . A A . 9 TYR CE1 1 1
6 805 1 1 6 TYR CE2 C 3.981 1.505 3.161 1.00 . A A . 9 TYR CE2 1 1
6 806 1 1 6 TYR CG C 2.323 0.334 1.839 1.00 . A A . 9 TYR CG 1 1
6 807 1 1 6 TYR CZ C 3.026 2.452 3.523 1.00 . A A . 9 TYR CZ 1 1
6 808 1 1 6 TYR H H 0.891 0.870 -0.910 1.00 . A A . 9 TYR H 1 1
6 809 1 1 6 TYR HA H 3.560 -0.577 -0.608 1.00 . A A . 9 TYR HA 1 1
6 810 1 1 6 TYR HB2 H 0.847 -0.923 0.833 1.00 . A A . 9 TYR HB2 1 1
6 811 1 1 6 TYR HB3 H 2.320 -1.743 1.241 1.00 . A A . 9 TYR HB3 1 1
6 812 1 1 6 TYR HD1 H 0.353 1.216 1.849 1.00 . A A . 9 TYR HD1 1 1
6 813 1 1 6 TYR HD2 H 4.383 -0.272 2.033 1.00 . A A . 9 TYR HD2 1 1
6 814 1 1 6 TYR HE1 H 0.982 3.069 3.351 1.00 . A A . 9 TYR HE1 1 1
6 815 1 1 6 TYR HE2 H 4.998 1.589 3.516 1.00 . A A . 9 TYR HE2 1 1
6 816 1 1 6 TYR HH H 4.191 3.278 4.778 1.00 . A A . 9 TYR HH 1 1
6 817 1 1 6 TYR N N 1.870 0.629 -1.153 1.00 . A A . 9 TYR N 1 1
6 818 1 1 6 TYR O O 0.845 -1.954 -1.875 1.00 . A A . 9 TYR O 1 1
6 819 1 1 6 TYR OH O 3.372 3.505 4.328 1.00 . A A . 9 TYR OH 1 1
6 820 1 1 7 CYS C C 3.156 -5.359 -1.608 1.00 . A A . 10 CYS C 1 1
6 821 1 1 7 CYS CA C 2.527 -4.131 -2.336 1.00 . A A . 10 CYS CA 1 1
6 822 1 1 7 CYS CB C 2.735 -4.069 -3.867 1.00 . A A . 10 CYS CB 1 1
6 823 1 1 7 CYS H H 3.853 -2.656 -1.346 1.00 . A A . 10 CYS H 1 1
6 824 1 1 7 CYS HA H 1.445 -4.272 -2.215 1.00 . A A . 10 CYS HA 1 1
6 825 1 1 7 CYS HB2 H 2.455 -3.074 -4.264 1.00 . A A . 10 CYS HB2 1 1
6 826 1 1 7 CYS HB3 H 3.797 -4.219 -4.139 1.00 . A A . 10 CYS HB3 1 1
6 827 1 1 7 CYS N N 2.914 -2.828 -1.716 1.00 . A A . 10 CYS N 1 1
6 828 1 1 7 CYS O O 4.085 -5.999 -2.108 1.00 . A A . 10 CYS O 1 1
6 829 1 1 7 CYS SG S 1.698 -5.282 -4.729 1.00 . A A . 10 CYS SG 1 1
6 830 1 1 8 VAL C C 1.685 -7.412 1.019 1.00 . A A . 11 VAL C 1 1
6 831 1 1 8 VAL CA C 2.993 -6.886 0.370 1.00 . A A . 11 VAL CA 1 1
6 832 1 1 8 VAL CB C 4.167 -6.664 1.393 1.00 . A A . 11 VAL CB 1 1
6 833 1 1 8 VAL CG1 C 5.555 -6.647 0.717 1.00 . A A . 11 VAL CG1 1 1
6 834 1 1 8 VAL CG2 C 4.053 -5.426 2.316 1.00 . A A . 11 VAL CG2 1 1
6 835 1 1 8 VAL H H 1.840 -5.094 -0.097 1.00 . A A . 11 VAL H 1 1
6 836 1 1 8 VAL HA H 3.299 -7.697 -0.320 1.00 . A A . 11 VAL HA 1 1
6 837 1 1 8 VAL HB H 4.162 -7.550 2.056 1.00 . A A . 11 VAL HB 1 1
6 838 1 1 8 VAL HG11 H 6.376 -6.620 1.458 1.00 . A A . 11 VAL HG11 1 1
6 839 1 1 8 VAL HG12 H 5.715 -7.544 0.093 1.00 . A A . 11 VAL HG12 1 1
6 840 1 1 8 VAL HG13 H 5.678 -5.768 0.057 1.00 . A A . 11 VAL HG13 1 1
6 841 1 1 8 VAL HG21 H 4.865 -5.387 3.065 1.00 . A A . 11 VAL HG21 1 1
6 842 1 1 8 VAL HG22 H 4.083 -4.481 1.744 1.00 . A A . 11 VAL HG22 1 1
6 843 1 1 8 VAL HG23 H 3.101 -5.430 2.879 1.00 . A A . 11 VAL HG23 1 1
6 844 1 1 8 VAL N N 2.612 -5.683 -0.421 1.00 . A A . 11 VAL N 1 1
6 845 1 1 8 VAL O O 1.257 -6.913 2.089 1.00 . A A . 11 VAL O 1 1
6 846 1 1 8 VAL OXT O 1.026 -8.308 0.437 1.00 . A A . 11 VAL OXT 1 1
7 847 1 1 1 ASP C C -1.254 -5.804 -0.199 1.00 . A A . 4 ASP C 1 1
7 848 1 1 1 ASP CA C -1.908 -6.914 0.682 1.00 . A A . 4 ASP CA 1 1
7 849 1 1 1 ASP CB C -2.613 -6.309 1.923 1.00 . A A . 4 ASP CB 1 1
7 850 1 1 1 ASP CG C -3.416 -7.310 2.755 1.00 . A A . 4 ASP CG 1 1
7 851 1 1 1 ASP H1 H -0.667 -8.652 0.464 1.00 . A A . 4 ASP H1 1 1
7 852 1 1 1 ASP H2 H 0.010 -7.561 1.423 1.00 . A A . 4 ASP H2 1 1
7 853 1 1 1 ASP H3 H -1.347 -8.391 1.993 1.00 . A A . 4 ASP H3 1 1
7 854 1 1 1 ASP HA H -2.684 -7.437 0.086 1.00 . A A . 4 ASP HA 1 1
7 855 1 1 1 ASP HB2 H -1.885 -5.807 2.588 1.00 . A A . 4 ASP HB2 1 1
7 856 1 1 1 ASP HB3 H -3.304 -5.505 1.605 1.00 . A A . 4 ASP HB3 1 1
7 857 1 1 1 ASP N N -0.944 -7.939 1.148 1.00 . A A . 4 ASP N 1 1
7 858 1 1 1 ASP O O -0.249 -5.195 0.189 1.00 . A A . 4 ASP O 1 1
7 859 1 1 1 ASP OD1 O -4.618 -7.086 2.992 1.00 . A A . 4 ASP OD1 1 1
7 860 1 1 1 ASP OD2 O -2.828 -8.345 3.146 1.00 . A A . 4 ASP OD2 1 1
7 861 1 1 2 CYS C C -2.526 -3.153 -1.977 1.00 . A A . 5 CYS C 1 1
7 862 1 1 2 CYS CA C -1.490 -4.302 -2.167 1.00 . A A . 5 CYS CA 1 1
7 863 1 1 2 CYS CB C -1.258 -4.727 -3.623 1.00 . A A . 5 CYS CB 1 1
7 864 1 1 2 CYS H H -2.685 -6.044 -1.619 1.00 . A A . 5 CYS H 1 1
7 865 1 1 2 CYS HA H -0.516 -3.925 -1.816 1.00 . A A . 5 CYS HA 1 1
7 866 1 1 2 CYS HB2 H -2.160 -5.191 -4.058 1.00 . A A . 5 CYS HB2 1 1
7 867 1 1 2 CYS HB3 H -1.026 -3.837 -4.233 1.00 . A A . 5 CYS HB3 1 1
7 868 1 1 2 CYS N N -1.855 -5.499 -1.369 1.00 . A A . 5 CYS N 1 1
7 869 1 1 2 CYS O O -3.742 -3.334 -2.089 1.00 . A A . 5 CYS O 1 1
7 870 1 1 2 CYS SG S 0.150 -5.867 -3.692 1.00 . A A . 5 CYS SG 1 1
7 871 1 1 3 PHE C C -2.035 0.471 -1.099 1.00 . A A . 6 PHE C 1 1
7 872 1 1 3 PHE CA C -2.795 -0.899 -0.943 1.00 . A A . 6 PHE CA 1 1
7 873 1 1 3 PHE CB C -3.010 -1.290 0.556 1.00 . A A . 6 PHE CB 1 1
7 874 1 1 3 PHE CD1 C -3.059 0.615 2.243 1.00 . A A . 6 PHE CD1 1 1
7 875 1 1 3 PHE CD2 C -5.159 -0.161 1.335 1.00 . A A . 6 PHE CD2 1 1
7 876 1 1 3 PHE CE1 C -3.735 1.590 2.973 1.00 . A A . 6 PHE CE1 1 1
7 877 1 1 3 PHE CE2 C -5.834 0.814 2.068 1.00 . A A . 6 PHE CE2 1 1
7 878 1 1 3 PHE CG C -3.768 -0.261 1.412 1.00 . A A . 6 PHE CG 1 1
7 879 1 1 3 PHE CZ C -5.120 1.690 2.884 1.00 . A A . 6 PHE CZ 1 1
7 880 1 1 3 PHE H H -0.979 -1.935 -1.696 1.00 . A A . 6 PHE H 1 1
7 881 1 1 3 PHE HA H -3.792 -0.842 -1.416 1.00 . A A . 6 PHE HA 1 1
7 882 1 1 3 PHE HB2 H -3.550 -2.256 0.606 1.00 . A A . 6 PHE HB2 1 1
7 883 1 1 3 PHE HB3 H -2.030 -1.516 1.022 1.00 . A A . 6 PHE HB3 1 1
7 884 1 1 3 PHE HD1 H -1.983 0.545 2.313 1.00 . A A . 6 PHE HD1 1 1
7 885 1 1 3 PHE HD2 H -5.720 -0.838 0.704 1.00 . A A . 6 PHE HD2 1 1
7 886 1 1 3 PHE HE1 H -3.185 2.266 3.612 1.00 . A A . 6 PHE HE1 1 1
7 887 1 1 3 PHE HE2 H -6.910 0.889 2.005 1.00 . A A . 6 PHE HE2 1 1
7 888 1 1 3 PHE HZ H -5.644 2.445 3.453 1.00 . A A . 6 PHE HZ 1 1
7 889 1 1 3 PHE N N -2.007 -1.975 -1.603 1.00 . A A . 6 PHE N 1 1
7 890 1 1 3 PHE O O -0.936 0.561 -0.536 1.00 . A A . 6 PHE O 1 1
7 891 1 1 4 . C C -0.460 2.947 -2.339 1.00 . A A . 7 E9M C 1 1
7 892 1 1 4 . CA C -1.875 2.926 -1.655 1.00 . A A . 7 E9M CA 1 1
7 893 1 1 4 . CB C -2.015 3.453 -0.183 1.00 . A A . 7 E9M CB 1 1
7 894 1 1 4 . CD1 C -1.504 6.012 -0.694 1.00 . A A . 7 E9M CD1 1 1
7 895 1 1 4 . CD2 C -1.048 5.313 1.370 1.00 . A A . 7 E9M CD2 1 1
7 896 1 1 4 . CE2 C -0.689 6.678 1.238 1.00 . A A . 7 E9M CE2 1 1
7 897 1 1 4 . CE3 C -0.867 4.639 2.604 1.00 . A A . 7 E9M CE3 1 1
7 898 1 1 4 . CG C -1.554 4.882 0.155 1.00 . A A . 7 E9M CG 1 1
7 899 1 1 4 . CH2 C 0.025 6.699 3.551 1.00 . A A . 7 E9M CH2 1 1
7 900 1 1 4 . CN2 C -3.841 1.487 -2.487 1.00 . A A . 7 E9M CN2 1 1
7 901 1 1 4 . CZ2 C -0.143 7.377 2.341 1.00 . A A . 7 E9M CZ2 1 1
7 902 1 1 4 . CZ3 C -0.333 5.350 3.680 1.00 . A A . 7 E9M CZ3 1 1
7 903 1 1 4 . HA H -2.449 3.646 -2.266 1.00 . A A . 7 E9M HA 1 1
7 904 1 1 4 . HB2 H -3.059 3.334 0.140 1.00 . A A . 7 E9M HB2 1 1
7 905 1 1 4 . HB3 H -1.474 2.758 0.484 1.00 . A A . 7 E9M HB3 1 1
7 906 1 1 4 . HD1 H -1.824 6.012 -1.727 1.00 . A A . 7 E9M HD1 1 1
7 907 1 1 4 . HE1 H -0.822 8.083 -0.407 1.00 . A A . 7 E9M HE1 1 1
7 908 1 1 4 . HE3 H -1.153 3.601 2.714 1.00 . A A . 7 E9M HE3 1 1
7 909 1 1 4 . HH2 H 0.425 7.227 4.404 1.00 . A A . 7 E9M HH2 1 1
7 910 1 1 4 . HN1 H -3.844 0.646 -3.208 1.00 . A A . 7 E9M HN1 1 1
7 911 1 1 4 . HN2 H -4.694 1.347 -1.794 1.00 . A A . 7 E9M HN2 1 1
7 912 1 1 4 . HN3 H -4.062 2.394 -3.082 1.00 . A A . 7 E9M HN3 1 1
7 913 1 1 4 . HZ2 H 0.123 8.420 2.250 1.00 . A A . 7 E9M HZ2 1 1
7 914 1 1 4 . HZ3 H -0.203 4.856 4.633 1.00 . A A . 7 E9M HZ3 1 1
7 915 1 1 4 . N N -2.553 1.575 -1.748 1.00 . A A . 7 E9M N 1 1
7 916 1 1 4 . NE1 N -0.953 7.133 -0.041 1.00 . A A . 7 E9M NE1 1 1
7 917 1 1 4 . O O -0.352 2.738 -3.549 1.00 . A A . 7 E9M O 1 1
7 918 1 1 5 LYS C C 2.679 1.641 -1.329 1.00 . A A . 8 LYS C 1 1
7 919 1 1 5 LYS CA C 2.018 2.911 -1.979 1.00 . A A . 8 LYS CA 1 1
7 920 1 1 5 LYS CB C 2.809 4.243 -1.798 1.00 . A A . 8 LYS CB 1 1
7 921 1 1 5 LYS CD C 3.461 4.324 0.742 1.00 . A A . 8 LYS CD 1 1
7 922 1 1 5 LYS CE C 3.476 5.228 1.989 1.00 . A A . 8 LYS CE 1 1
7 923 1 1 5 LYS CG C 2.772 5.019 -0.451 1.00 . A A . 8 LYS CG 1 1
7 924 1 1 5 LYS H H 0.379 3.413 -0.597 1.00 . A A . 8 LYS H 1 1
7 925 1 1 5 LYS HA H 2.053 2.686 -3.064 1.00 . A A . 8 LYS HA 1 1
7 926 1 1 5 LYS HB2 H 3.861 4.060 -2.075 1.00 . A A . 8 LYS HB2 1 1
7 927 1 1 5 LYS HB3 H 2.450 4.938 -2.583 1.00 . A A . 8 LYS HB3 1 1
7 928 1 1 5 LYS HD2 H 2.946 3.368 0.963 1.00 . A A . 8 LYS HD2 1 1
7 929 1 1 5 LYS HD3 H 4.492 4.039 0.446 1.00 . A A . 8 LYS HD3 1 1
7 930 1 1 5 LYS HE2 H 3.930 6.213 1.738 1.00 . A A . 8 LYS HE2 1 1
7 931 1 1 5 LYS HE3 H 2.433 5.463 2.300 1.00 . A A . 8 LYS HE3 1 1
7 932 1 1 5 LYS HG2 H 3.254 5.999 -0.627 1.00 . A A . 8 LYS HG2 1 1
7 933 1 1 5 LYS HG3 H 1.725 5.275 -0.195 1.00 . A A . 8 LYS HG3 1 1
7 934 1 1 5 LYS HZ1 H 3.741 3.748 3.488 1.00 . A A . 8 LYS HZ1 1 1
7 935 1 1 5 LYS HZ2 H 5.147 4.230 2.797 1.00 . A A . 8 LYS HZ2 1 1
7 936 1 1 5 LYS HZ3 H 4.395 5.190 3.901 1.00 . A A . 8 LYS HZ3 1 1
7 937 1 1 5 LYS N N 0.612 3.174 -1.564 1.00 . A A . 8 LYS N 1 1
7 938 1 1 5 LYS NZ N 4.226 4.575 3.094 1.00 . A A . 8 LYS NZ 1 1
7 939 1 1 5 LYS O O 3.904 1.581 -1.184 1.00 . A A . 8 LYS O 1 1
7 940 1 1 6 TYR C C 1.986 -1.845 -1.449 1.00 . A A . 9 TYR C 1 1
7 941 1 1 6 TYR CA C 2.376 -0.695 -0.468 1.00 . A A . 9 TYR CA 1 1
7 942 1 1 6 TYR CB C 1.708 -0.953 0.912 1.00 . A A . 9 TYR CB 1 1
7 943 1 1 6 TYR CD1 C 1.345 1.089 2.389 1.00 . A A . 9 TYR CD1 1 1
7 944 1 1 6 TYR CD2 C 3.304 -0.273 2.777 1.00 . A A . 9 TYR CD2 1 1
7 945 1 1 6 TYR CE1 C 1.740 1.944 3.414 1.00 . A A . 9 TYR CE1 1 1
7 946 1 1 6 TYR CE2 C 3.695 0.585 3.803 1.00 . A A . 9 TYR CE2 1 1
7 947 1 1 6 TYR CG C 2.129 -0.023 2.060 1.00 . A A . 9 TYR CG 1 1
7 948 1 1 6 TYR CZ C 2.914 1.693 4.116 1.00 . A A . 9 TYR CZ 1 1
7 949 1 1 6 TYR H H 0.876 0.829 -0.939 1.00 . A A . 9 TYR H 1 1
7 950 1 1 6 TYR HA H 3.477 -0.684 -0.334 1.00 . A A . 9 TYR HA 1 1
7 951 1 1 6 TYR HB2 H 0.605 -0.942 0.800 1.00 . A A . 9 TYR HB2 1 1
7 952 1 1 6 TYR HB3 H 1.915 -1.993 1.213 1.00 . A A . 9 TYR HB3 1 1
7 953 1 1 6 TYR HD1 H 0.435 1.295 1.842 1.00 . A A . 9 TYR HD1 1 1
7 954 1 1 6 TYR HD2 H 3.920 -1.127 2.535 1.00 . A A . 9 TYR HD2 1 1
7 955 1 1 6 TYR HE1 H 1.135 2.800 3.668 1.00 . A A . 9 TYR HE1 1 1
7 956 1 1 6 TYR HE2 H 4.610 0.388 4.342 1.00 . A A . 9 TYR HE2 1 1
7 957 1 1 6 TYR HH H 3.810 2.074 5.753 1.00 . A A . 9 TYR HH 1 1
7 958 1 1 6 TYR N N 1.886 0.607 -0.990 1.00 . A A . 9 TYR N 1 1
7 959 1 1 6 TYR O O 0.853 -1.894 -1.941 1.00 . A A . 9 TYR O 1 1
7 960 1 1 6 TYR OH O 3.325 2.569 5.084 1.00 . A A . 9 TYR OH 1 1
7 961 1 1 7 CYS C C 3.292 -5.309 -1.779 1.00 . A A . 10 CYS C 1 1
7 962 1 1 7 CYS CA C 2.536 -4.084 -2.377 1.00 . A A . 10 CYS CA 1 1
7 963 1 1 7 CYS CB C 2.647 -3.904 -3.911 1.00 . A A . 10 CYS CB 1 1
7 964 1 1 7 CYS H H 3.793 -2.687 -1.208 1.00 . A A . 10 CYS H 1 1
7 965 1 1 7 CYS HA H 1.473 -4.295 -2.190 1.00 . A A . 10 CYS HA 1 1
7 966 1 1 7 CYS HB2 H 2.280 -2.906 -4.216 1.00 . A A . 10 CYS HB2 1 1
7 967 1 1 7 CYS HB3 H 3.699 -3.957 -4.249 1.00 . A A . 10 CYS HB3 1 1
7 968 1 1 7 CYS N N 2.894 -2.811 -1.683 1.00 . A A . 10 CYS N 1 1
7 969 1 1 7 CYS O O 4.273 -5.800 -2.345 1.00 . A A . 10 CYS O 1 1
7 970 1 1 7 CYS SG S 1.645 -5.119 -4.811 1.00 . A A . 10 CYS SG 1 1
7 971 1 1 8 VAL C C 2.099 -7.725 0.666 1.00 . A A . 11 VAL C 1 1
7 972 1 1 8 VAL CA C 3.334 -7.009 0.058 1.00 . A A . 11 VAL CA 1 1
7 973 1 1 8 VAL CB C 4.492 -6.758 1.092 1.00 . A A . 11 VAL CB 1 1
7 974 1 1 8 VAL CG1 C 5.859 -6.519 0.414 1.00 . A A . 11 VAL CG1 1 1
7 975 1 1 8 VAL CG2 C 4.256 -5.637 2.133 1.00 . A A . 11 VAL CG2 1 1
7 976 1 1 8 VAL H H 1.953 -5.355 -0.261 1.00 . A A . 11 VAL H 1 1
7 977 1 1 8 VAL HA H 3.715 -7.717 -0.705 1.00 . A A . 11 VAL HA 1 1
7 978 1 1 8 VAL HB H 4.595 -7.700 1.664 1.00 . A A . 11 VAL HB 1 1
7 979 1 1 8 VAL HG11 H 6.684 -6.470 1.148 1.00 . A A . 11 VAL HG11 1 1
7 980 1 1 8 VAL HG12 H 6.110 -7.330 -0.296 1.00 . A A . 11 VAL HG12 1 1
7 981 1 1 8 VAL HG13 H 5.873 -5.574 -0.161 1.00 . A A . 11 VAL HG13 1 1
7 982 1 1 8 VAL HG21 H 5.072 -5.580 2.876 1.00 . A A . 11 VAL HG21 1 1
7 983 1 1 8 VAL HG22 H 4.170 -4.643 1.655 1.00 . A A . 11 VAL HG22 1 1
7 984 1 1 8 VAL HG23 H 3.321 -5.804 2.698 1.00 . A A . 11 VAL HG23 1 1
7 985 1 1 8 VAL N N 2.811 -5.790 -0.618 1.00 . A A . 11 VAL N 1 1
7 986 1 1 8 VAL O O 1.540 -7.277 1.697 1.00 . A A . 11 VAL O 1 1
7 987 1 1 8 VAL OXT O 1.621 -8.721 0.075 1.00 . A A . 11 VAL OXT 1 1
8 988 1 1 1 ASP C C -1.272 -5.629 -0.028 1.00 . A A . 4 ASP C 1 1
8 989 1 1 1 ASP CA C -1.844 -6.782 0.857 1.00 . A A . 4 ASP CA 1 1
8 990 1 1 1 ASP CB C -3.174 -6.371 1.540 1.00 . A A . 4 ASP CB 1 1
8 991 1 1 1 ASP CG C -3.899 -7.494 2.286 1.00 . A A . 4 ASP CG 1 1
8 992 1 1 1 ASP H1 H -1.466 -7.825 2.571 1.00 . A A . 4 ASP H1 1 1
8 993 1 1 1 ASP H2 H -0.044 -7.699 1.603 1.00 . A A . 4 ASP H2 1 1
8 994 1 1 1 ASP H3 H -0.606 -6.406 2.498 1.00 . A A . 4 ASP H3 1 1
8 995 1 1 1 ASP HA H -2.026 -7.663 0.207 1.00 . A A . 4 ASP HA 1 1
8 996 1 1 1 ASP HB2 H -3.012 -5.532 2.243 1.00 . A A . 4 ASP HB2 1 1
8 997 1 1 1 ASP HB3 H -3.868 -5.969 0.779 1.00 . A A . 4 ASP HB3 1 1
8 998 1 1 1 ASP N N -0.926 -7.200 1.941 1.00 . A A . 4 ASP N 1 1
8 999 1 1 1 ASP O O -0.429 -4.841 0.420 1.00 . A A . 4 ASP O 1 1
8 1000 1 1 1 ASP OD1 O -3.242 -8.157 3.119 1.00 . A A . 4 ASP OD1 1 1
8 1001 1 1 1 ASP OD2 O -5.098 -7.721 2.035 1.00 . A A . 4 ASP OD2 1 1
8 1002 1 1 2 CYS C C -2.526 -3.186 -1.975 1.00 . A A . 5 CYS C 1 1
8 1003 1 1 2 CYS CA C -1.476 -4.327 -2.133 1.00 . A A . 5 CYS CA 1 1
8 1004 1 1 2 CYS CB C -1.266 -4.806 -3.577 1.00 . A A . 5 CYS CB 1 1
8 1005 1 1 2 CYS H H -2.434 -6.219 -1.580 1.00 . A A . 5 CYS H 1 1
8 1006 1 1 2 CYS HA H -0.504 -3.920 -1.823 1.00 . A A . 5 CYS HA 1 1
8 1007 1 1 2 CYS HB2 H -2.173 -5.296 -3.974 1.00 . A A . 5 CYS HB2 1 1
8 1008 1 1 2 CYS HB3 H -1.056 -3.938 -4.228 1.00 . A A . 5 CYS HB3 1 1
8 1009 1 1 2 CYS N N -1.777 -5.496 -1.273 1.00 . A A . 5 CYS N 1 1
8 1010 1 1 2 CYS O O -3.739 -3.382 -2.112 1.00 . A A . 5 CYS O 1 1
8 1011 1 1 2 CYS SG S 0.151 -5.935 -3.638 1.00 . A A . 5 CYS SG 1 1
8 1012 1 1 3 PHE C C -2.060 0.463 -1.138 1.00 . A A . 6 PHE C 1 1
8 1013 1 1 3 PHE CA C -2.845 -0.899 -1.030 1.00 . A A . 6 PHE CA 1 1
8 1014 1 1 3 PHE CB C -3.194 -1.253 0.453 1.00 . A A . 6 PHE CB 1 1
8 1015 1 1 3 PHE CD1 C -5.478 -0.237 0.949 1.00 . A A . 6 PHE CD1 1 1
8 1016 1 1 3 PHE CD2 C -3.541 0.703 2.047 1.00 . A A . 6 PHE CD2 1 1
8 1017 1 1 3 PHE CE1 C -6.287 0.711 1.571 1.00 . A A . 6 PHE CE1 1 1
8 1018 1 1 3 PHE CE2 C -4.352 1.650 2.667 1.00 . A A . 6 PHE CE2 1 1
8 1019 1 1 3 PHE CG C -4.098 -0.242 1.177 1.00 . A A . 6 PHE CG 1 1
8 1020 1 1 3 PHE CZ C -5.724 1.655 2.426 1.00 . A A . 6 PHE CZ 1 1
8 1021 1 1 3 PHE H H -0.996 -1.954 -1.674 1.00 . A A . 6 PHE H 1 1
8 1022 1 1 3 PHE HA H -3.797 -0.844 -1.590 1.00 . A A . 6 PHE HA 1 1
8 1023 1 1 3 PHE HB2 H -3.686 -2.245 0.488 1.00 . A A . 6 PHE HB2 1 1
8 1024 1 1 3 PHE HB3 H -2.257 -1.406 1.025 1.00 . A A . 6 PHE HB3 1 1
8 1025 1 1 3 PHE HD1 H -5.922 -0.968 0.287 1.00 . A A . 6 PHE HD1 1 1
8 1026 1 1 3 PHE HD2 H -2.476 0.707 2.233 1.00 . A A . 6 PHE HD2 1 1
8 1027 1 1 3 PHE HE1 H -7.353 0.713 1.391 1.00 . A A . 6 PHE HE1 1 1
8 1028 1 1 3 PHE HE2 H -3.920 2.380 3.336 1.00 . A A . 6 PHE HE2 1 1
8 1029 1 1 3 PHE HZ H -6.354 2.388 2.910 1.00 . A A . 6 PHE HZ 1 1
8 1030 1 1 3 PHE N N -2.026 -1.999 -1.605 1.00 . A A . 6 PHE N 1 1
8 1031 1 1 3 PHE O O -0.973 0.530 -0.551 1.00 . A A . 6 PHE O 1 1
8 1032 1 1 4 . C C -0.444 2.966 -2.285 1.00 . A A . 7 E9M C 1 1
8 1033 1 1 4 . CA C -1.875 2.930 -1.636 1.00 . A A . 7 E9M CA 1 1
8 1034 1 1 4 . CB C -2.047 3.432 -0.156 1.00 . A A . 7 E9M CB 1 1
8 1035 1 1 4 . CD1 C -1.292 5.947 -0.618 1.00 . A A . 7 E9M CD1 1 1
8 1036 1 1 4 . CD2 C -1.334 5.307 1.512 1.00 . A A . 7 E9M CD2 1 1
8 1037 1 1 4 . CE2 C -0.851 6.637 1.423 1.00 . A A . 7 E9M CE2 1 1
8 1038 1 1 4 . CE3 C -1.446 4.669 2.774 1.00 . A A . 7 E9M CE3 1 1
8 1039 1 1 4 . CG C -1.606 4.858 0.231 1.00 . A A . 7 E9M CG 1 1
8 1040 1 1 4 . CH2 C -0.585 6.690 3.827 1.00 . A A . 7 E9M CH2 1 1
8 1041 1 1 4 . CN2 C -3.823 1.522 -2.556 1.00 . A A . 7 E9M CN2 1 1
8 1042 1 1 4 . CZ2 C -0.472 7.335 2.593 1.00 . A A . 7 E9M CZ2 1 1
8 1043 1 1 4 . CZ3 C -1.067 5.377 3.916 1.00 . A A . 7 E9M CZ3 1 1
8 1044 1 1 4 . HA H -2.432 3.668 -2.243 1.00 . A A . 7 E9M HA 1 1
8 1045 1 1 4 . HB2 H -3.097 3.295 0.140 1.00 . A A . 7 E9M HB2 1 1
8 1046 1 1 4 . HB3 H -1.512 2.730 0.510 1.00 . A A . 7 E9M HB3 1 1
8 1047 1 1 4 . HD1 H -1.355 5.916 -1.697 1.00 . A A . 7 E9M HD1 1 1
8 1048 1 1 4 . HE1 H -0.547 7.983 -0.250 1.00 . A A . 7 E9M HE1 1 1
8 1049 1 1 4 . HE3 H -1.820 3.659 2.851 1.00 . A A . 7 E9M HE3 1 1
8 1050 1 1 4 . HH2 H -0.310 7.217 4.730 1.00 . A A . 7 E9M HH2 1 1
8 1051 1 1 4 . HN1 H -4.695 1.351 -1.896 1.00 . A A . 7 E9M HN1 1 1
8 1052 1 1 4 . HN2 H -4.032 2.450 -3.122 1.00 . A A . 7 E9M HN2 1 1
8 1053 1 1 4 . HN3 H -3.800 0.711 -3.310 1.00 . A A . 7 E9M HN3 1 1
8 1054 1 1 4 . HZ2 H -0.110 8.351 2.533 1.00 . A A . 7 E9M HZ2 1 1
8 1055 1 1 4 . HZ3 H -1.157 4.908 4.885 1.00 . A A . 7 E9M HZ3 1 1
8 1056 1 1 4 . N N -2.555 1.585 -1.777 1.00 . A A . 7 E9M N 1 1
8 1057 1 1 4 . NE1 N -0.812 7.057 0.106 1.00 . A A . 7 E9M NE1 1 1
8 1058 1 1 4 . O O -0.298 2.782 -3.495 1.00 . A A . 7 E9M O 1 1
8 1059 1 1 5 LYS C C 2.690 1.677 -1.409 1.00 . A A . 8 LYS C 1 1
8 1060 1 1 5 LYS CA C 2.023 3.029 -1.858 1.00 . A A . 8 LYS CA 1 1
8 1061 1 1 5 LYS CB C 2.752 4.302 -1.331 1.00 . A A . 8 LYS CB 1 1
8 1062 1 1 5 LYS CD C 3.534 5.845 0.572 1.00 . A A . 8 LYS CD 1 1
8 1063 1 1 5 LYS CE C 3.476 6.247 2.059 1.00 . A A . 8 LYS CE 1 1
8 1064 1 1 5 LYS CG C 2.766 4.556 0.203 1.00 . A A . 8 LYS CG 1 1
8 1065 1 1 5 LYS H H 0.327 3.380 -0.504 1.00 . A A . 8 LYS H 1 1
8 1066 1 1 5 LYS HA H 2.119 3.038 -2.963 1.00 . A A . 8 LYS HA 1 1
8 1067 1 1 5 LYS HB2 H 3.794 4.260 -1.694 1.00 . A A . 8 LYS HB2 1 1
8 1068 1 1 5 LYS HB3 H 2.323 5.187 -1.843 1.00 . A A . 8 LYS HB3 1 1
8 1069 1 1 5 LYS HD2 H 4.584 5.776 0.223 1.00 . A A . 8 LYS HD2 1 1
8 1070 1 1 5 LYS HD3 H 3.105 6.679 -0.020 1.00 . A A . 8 LYS HD3 1 1
8 1071 1 1 5 LYS HE2 H 3.844 7.293 2.157 1.00 . A A . 8 LYS HE2 1 1
8 1072 1 1 5 LYS HE3 H 2.419 6.293 2.406 1.00 . A A . 8 LYS HE3 1 1
8 1073 1 1 5 LYS HG2 H 1.727 4.630 0.579 1.00 . A A . 8 LYS HG2 1 1
8 1074 1 1 5 LYS HG3 H 3.201 3.678 0.719 1.00 . A A . 8 LYS HG3 1 1
8 1075 1 1 5 LYS HZ1 H 5.107 4.961 2.420 1.00 . A A . 8 LYS HZ1 1 1
8 1076 1 1 5 LYS HZ2 H 4.641 5.777 3.772 1.00 . A A . 8 LYS HZ2 1 1
8 1077 1 1 5 LYS HZ3 H 3.754 4.510 3.243 1.00 . A A . 8 LYS HZ3 1 1
8 1078 1 1 5 LYS N N 0.596 3.194 -1.473 1.00 . A A . 8 LYS N 1 1
8 1079 1 1 5 LYS NZ N 4.287 5.336 2.914 1.00 . A A . 8 LYS NZ 1 1
8 1080 1 1 5 LYS O O 3.921 1.604 -1.329 1.00 . A A . 8 LYS O 1 1
8 1081 1 1 6 TYR C C 1.996 -1.865 -1.450 1.00 . A A . 9 TYR C 1 1
8 1082 1 1 6 TYR CA C 2.419 -0.658 -0.556 1.00 . A A . 9 TYR CA 1 1
8 1083 1 1 6 TYR CB C 1.812 -0.817 0.870 1.00 . A A . 9 TYR CB 1 1
8 1084 1 1 6 TYR CD1 C 3.380 0.595 2.320 1.00 . A A . 9 TYR CD1 1 1
8 1085 1 1 6 TYR CD2 C 1.017 1.094 2.352 1.00 . A A . 9 TYR CD2 1 1
8 1086 1 1 6 TYR CE1 C 3.614 1.658 3.191 1.00 . A A . 9 TYR CE1 1 1
8 1087 1 1 6 TYR CE2 C 1.252 2.146 3.234 1.00 . A A . 9 TYR CE2 1 1
8 1088 1 1 6 TYR CG C 2.080 0.309 1.890 1.00 . A A . 9 TYR CG 1 1
8 1089 1 1 6 TYR CZ C 2.549 2.432 3.645 1.00 . A A . 9 TYR CZ 1 1
8 1090 1 1 6 TYR H H 0.902 0.834 -1.029 1.00 . A A . 9 TYR H 1 1
8 1091 1 1 6 TYR HA H 3.524 -0.642 -0.470 1.00 . A A . 9 TYR HA 1 1
8 1092 1 1 6 TYR HB2 H 0.720 -0.982 0.772 1.00 . A A . 9 TYR HB2 1 1
8 1093 1 1 6 TYR HB3 H 2.179 -1.762 1.297 1.00 . A A . 9 TYR HB3 1 1
8 1094 1 1 6 TYR HD1 H 4.213 0.004 1.969 1.00 . A A . 9 TYR HD1 1 1
8 1095 1 1 6 TYR HD2 H 0.007 0.896 2.021 1.00 . A A . 9 TYR HD2 1 1
8 1096 1 1 6 TYR HE1 H 4.621 1.871 3.521 1.00 . A A . 9 TYR HE1 1 1
8 1097 1 1 6 TYR HE2 H 0.425 2.736 3.593 1.00 . A A . 9 TYR HE2 1 1
8 1098 1 1 6 TYR HH H 1.994 3.599 5.037 1.00 . A A . 9 TYR HH 1 1
8 1099 1 1 6 TYR N N 1.910 0.613 -1.135 1.00 . A A . 9 TYR N 1 1
8 1100 1 1 6 TYR O O 0.848 -1.927 -1.905 1.00 . A A . 9 TYR O 1 1
8 1101 1 1 6 TYR OH O 2.778 3.484 4.489 1.00 . A A . 9 TYR OH 1 1
8 1102 1 1 7 CYS C C 3.230 -5.373 -1.766 1.00 . A A . 10 CYS C 1 1
8 1103 1 1 7 CYS CA C 2.516 -4.121 -2.355 1.00 . A A . 10 CYS CA 1 1
8 1104 1 1 7 CYS CB C 2.632 -3.954 -3.889 1.00 . A A . 10 CYS CB 1 1
8 1105 1 1 7 CYS H H 3.813 -2.710 -1.245 1.00 . A A . 10 CYS H 1 1
8 1106 1 1 7 CYS HA H 1.450 -4.306 -2.180 1.00 . A A . 10 CYS HA 1 1
8 1107 1 1 7 CYS HB2 H 2.265 -2.958 -4.205 1.00 . A A . 10 CYS HB2 1 1
8 1108 1 1 7 CYS HB3 H 3.684 -4.012 -4.224 1.00 . A A . 10 CYS HB3 1 1
8 1109 1 1 7 CYS N N 2.890 -2.852 -1.663 1.00 . A A . 10 CYS N 1 1
8 1110 1 1 7 CYS O O 4.255 -5.826 -2.284 1.00 . A A . 10 CYS O 1 1
8 1111 1 1 7 CYS SG S 1.633 -5.182 -4.774 1.00 . A A . 10 CYS SG 1 1
8 1112 1 1 8 VAL C C 1.645 -7.976 0.142 1.00 . A A . 11 VAL C 1 1
8 1113 1 1 8 VAL CA C 3.012 -7.303 -0.197 1.00 . A A . 11 VAL CA 1 1
8 1114 1 1 8 VAL CB C 4.058 -7.290 0.981 1.00 . A A . 11 VAL CB 1 1
8 1115 1 1 8 VAL CG1 C 4.482 -8.714 1.411 1.00 . A A . 11 VAL CG1 1 1
8 1116 1 1 8 VAL CG2 C 5.359 -6.504 0.703 1.00 . A A . 11 VAL CG2 1 1
8 1117 1 1 8 VAL H H 1.765 -5.521 -0.400 1.00 . A A . 11 VAL H 1 1
8 1118 1 1 8 VAL HA H 3.437 -7.902 -1.028 1.00 . A A . 11 VAL HA 1 1
8 1119 1 1 8 VAL HB H 3.563 -6.813 1.850 1.00 . A A . 11 VAL HB 1 1
8 1120 1 1 8 VAL HG11 H 5.166 -8.702 2.280 1.00 . A A . 11 VAL HG11 1 1
8 1121 1 1 8 VAL HG12 H 3.611 -9.325 1.714 1.00 . A A . 11 VAL HG12 1 1
8 1122 1 1 8 VAL HG13 H 4.987 -9.263 0.594 1.00 . A A . 11 VAL HG13 1 1
8 1123 1 1 8 VAL HG21 H 5.895 -6.898 -0.181 1.00 . A A . 11 VAL HG21 1 1
8 1124 1 1 8 VAL HG22 H 5.150 -5.438 0.501 1.00 . A A . 11 VAL HG22 1 1
8 1125 1 1 8 VAL HG23 H 6.057 -6.528 1.560 1.00 . A A . 11 VAL HG23 1 1
8 1126 1 1 8 VAL N N 2.659 -5.937 -0.684 1.00 . A A . 11 VAL N 1 1
8 1127 1 1 8 VAL O O 1.347 -8.239 1.331 1.00 . A A . 11 VAL O 1 1
8 1128 1 1 8 VAL OXT O 0.828 -8.211 -0.776 1.00 . A A . 11 VAL OXT 1 1
9 1129 1 1 1 ASP C C -1.316 -5.805 -0.125 1.00 . A A . 4 ASP C 1 1
9 1130 1 1 1 ASP CA C -1.977 -6.909 0.760 1.00 . A A . 4 ASP CA 1 1
9 1131 1 1 1 ASP CB C -2.692 -6.294 1.991 1.00 . A A . 4 ASP CB 1 1
9 1132 1 1 1 ASP CG C -3.496 -7.292 2.827 1.00 . A A . 4 ASP CG 1 1
9 1133 1 1 1 ASP H1 H -0.060 -7.543 1.512 1.00 . A A . 4 ASP H1 1 1
9 1134 1 1 1 ASP H2 H -1.416 -8.370 2.089 1.00 . A A . 4 ASP H2 1 1
9 1135 1 1 1 ASP H3 H -0.732 -8.645 0.565 1.00 . A A . 4 ASP H3 1 1
9 1136 1 1 1 ASP HA H -2.747 -7.438 0.163 1.00 . A A . 4 ASP HA 1 1
9 1137 1 1 1 ASP HB2 H -1.971 -5.783 2.656 1.00 . A A . 4 ASP HB2 1 1
9 1138 1 1 1 ASP HB3 H -3.385 -5.496 1.660 1.00 . A A . 4 ASP HB3 1 1
9 1139 1 1 1 ASP N N -1.012 -7.927 1.242 1.00 . A A . 4 ASP N 1 1
9 1140 1 1 1 ASP O O -0.323 -5.186 0.274 1.00 . A A . 4 ASP O 1 1
9 1141 1 1 1 ASP OD1 O -2.905 -8.318 3.234 1.00 . A A . 4 ASP OD1 1 1
9 1142 1 1 1 ASP OD2 O -4.703 -7.072 3.049 1.00 . A A . 4 ASP OD2 1 1
9 1143 1 1 2 CYS C C -2.529 -3.168 -1.950 1.00 . A A . 5 CYS C 1 1
9 1144 1 1 2 CYS CA C -1.514 -4.338 -2.121 1.00 . A A . 5 CYS CA 1 1
9 1145 1 1 2 CYS CB C -1.280 -4.784 -3.571 1.00 . A A . 5 CYS CB 1 1
9 1146 1 1 2 CYS H H -2.722 -6.070 -1.566 1.00 . A A . 5 CYS H 1 1
9 1147 1 1 2 CYS HA H -0.535 -3.974 -1.771 1.00 . A A . 5 CYS HA 1 1
9 1148 1 1 2 CYS HB2 H -2.184 -5.249 -4.004 1.00 . A A . 5 CYS HB2 1 1
9 1149 1 1 2 CYS HB3 H -1.039 -3.905 -4.193 1.00 . A A . 5 CYS HB3 1 1
9 1150 1 1 2 CYS N N -1.898 -5.519 -1.309 1.00 . A A . 5 CYS N 1 1
9 1151 1 1 2 CYS O O -3.748 -3.329 -2.065 1.00 . A A . 5 CYS O 1 1
9 1152 1 1 2 CYS SG S 0.120 -5.934 -3.616 1.00 . A A . 5 CYS SG 1 1
9 1153 1 1 3 PHE C C -1.990 0.461 -1.130 1.00 . A A . 6 PHE C 1 1
9 1154 1 1 3 PHE CA C -2.759 -0.901 -0.943 1.00 . A A . 6 PHE CA 1 1
9 1155 1 1 3 PHE CB C -2.978 -1.267 0.562 1.00 . A A . 6 PHE CB 1 1
9 1156 1 1 3 PHE CD1 C -3.035 0.648 2.239 1.00 . A A . 6 PHE CD1 1 1
9 1157 1 1 3 PHE CD2 C -5.127 -0.101 1.289 1.00 . A A . 6 PHE CD2 1 1
9 1158 1 1 3 PHE CE1 C -3.712 1.636 2.950 1.00 . A A . 6 PHE CE1 1 1
9 1159 1 1 3 PHE CE2 C -5.803 0.887 2.002 1.00 . A A . 6 PHE CE2 1 1
9 1160 1 1 3 PHE CG C -3.738 -0.221 1.396 1.00 . A A . 6 PHE CG 1 1
9 1161 1 1 3 PHE CZ C -5.094 1.757 2.829 1.00 . A A . 6 PHE CZ 1 1
9 1162 1 1 3 PHE H H -0.960 -1.977 -1.678 1.00 . A A . 6 PHE H 1 1
9 1163 1 1 3 PHE HA H -3.762 -0.836 -1.405 1.00 . A A . 6 PHE HA 1 1
9 1164 1 1 3 PHE HB2 H -3.522 -2.230 0.630 1.00 . A A . 6 PHE HB2 1 1
9 1165 1 1 3 PHE HB3 H -2.000 -1.486 1.034 1.00 . A A . 6 PHE HB3 1 1
9 1166 1 1 3 PHE HD1 H -1.962 0.563 2.334 1.00 . A A . 6 PHE HD1 1 1
9 1167 1 1 3 PHE HD2 H -5.682 -0.773 0.649 1.00 . A A . 6 PHE HD2 1 1
9 1168 1 1 3 PHE HE1 H -3.168 2.307 3.599 1.00 . A A . 6 PHE HE1 1 1
9 1169 1 1 3 PHE HE2 H -6.875 0.978 1.914 1.00 . A A . 6 PHE HE2 1 1
9 1170 1 1 3 PHE HZ H -5.620 2.521 3.382 1.00 . A A . 6 PHE HZ 1 1
9 1171 1 1 3 PHE N N -1.991 -1.996 -1.588 1.00 . A A . 6 PHE N 1 1
9 1172 1 1 3 PHE O O -0.954 0.614 -0.470 1.00 . A A . 6 PHE O 1 1
9 1173 1 1 4 . C C -0.404 3.016 -2.286 1.00 . A A . 7 E9M C 1 1
9 1174 1 1 4 . CA C -1.885 2.894 -1.783 1.00 . A A . 7 E9M CA 1 1
9 1175 1 1 4 . CB C -2.244 3.454 -0.362 1.00 . A A . 7 E9M CB 1 1
9 1176 1 1 4 . CD1 C -2.000 6.044 -0.881 1.00 . A A . 7 E9M CD1 1 1
9 1177 1 1 4 . CD2 C -1.428 5.402 1.172 1.00 . A A . 7 E9M CD2 1 1
9 1178 1 1 4 . CE2 C -1.232 6.800 1.041 1.00 . A A . 7 E9M CE2 1 1
9 1179 1 1 4 . CE3 C -1.156 4.754 2.405 1.00 . A A . 7 E9M CE3 1 1
9 1180 1 1 4 . CG C -1.906 4.917 -0.033 1.00 . A A . 7 E9M CG 1 1
9 1181 1 1 4 . CH2 C -0.510 6.905 3.347 1.00 . A A . 7 E9M CH2 1 1
9 1182 1 1 4 . CN2 C -3.616 1.305 -2.823 1.00 . A A . 7 E9M CN2 1 1
9 1183 1 1 4 . CZ2 C -0.769 7.559 2.139 1.00 . A A . 7 E9M CZ2 1 1
9 1184 1 1 4 . CZ3 C -0.701 5.522 3.477 1.00 . A A . 7 E9M CZ3 1 1
9 1185 1 1 4 . HA H -2.429 3.555 -2.483 1.00 . A A . 7 E9M HA 1 1
9 1186 1 1 4 . HB2 H -3.312 3.282 -0.174 1.00 . A A . 7 E9M HB2 1 1
9 1187 1 1 4 . HB3 H -1.762 2.811 0.395 1.00 . A A . 7 E9M HB3 1 1
9 1188 1 1 4 . HD1 H -2.353 6.009 -1.902 1.00 . A A . 7 E9M HD1 1 1
9 1189 1 1 4 . HE1 H -1.577 8.183 -0.594 1.00 . A A . 7 E9M HE1 1 1
9 1190 1 1 4 . HE3 H -1.317 3.690 2.515 1.00 . A A . 7 E9M HE3 1 1
9 1191 1 1 4 . HH2 H -0.171 7.477 4.199 1.00 . A A . 7 E9M HH2 1 1
9 1192 1 1 4 . HN1 H -3.539 0.364 -3.400 1.00 . A A . 7 E9M HN1 1 1
9 1193 1 1 4 . HN2 H -4.569 1.284 -2.259 1.00 . A A . 7 E9M HN2 1 1
9 1194 1 1 4 . HN3 H -3.705 2.110 -3.577 1.00 . A A . 7 E9M HN3 1 1
9 1195 1 1 4 . HZ2 H -0.632 8.627 2.050 1.00 . A A . 7 E9M HZ2 1 1
9 1196 1 1 4 . HZ3 H -0.505 5.046 4.427 1.00 . A A . 7 E9M HZ3 1 1
9 1197 1 1 4 . N N -2.455 1.498 -1.912 1.00 . A A . 7 E9M N 1 1
9 1198 1 1 4 . NE1 N -1.570 7.221 -0.235 1.00 . A A . 7 E9M NE1 1 1
9 1199 1 1 4 . O O -0.145 2.933 -3.488 1.00 . A A . 7 E9M O 1 1
9 1200 1 1 5 LYS C C 2.622 1.640 -1.546 1.00 . A A . 8 LYS C 1 1
9 1201 1 1 5 LYS CA C 2.013 3.088 -1.652 1.00 . A A . 8 LYS CA 1 1
9 1202 1 1 5 LYS CB C 2.732 4.031 -0.641 1.00 . A A . 8 LYS CB 1 1
9 1203 1 1 5 LYS CD C 3.166 6.455 0.270 1.00 . A A . 8 LYS CD 1 1
9 1204 1 1 5 LYS CE C 2.902 6.200 1.773 1.00 . A A . 8 LYS CE 1 1
9 1205 1 1 5 LYS CG C 2.398 5.545 -0.718 1.00 . A A . 8 LYS CG 1 1
9 1206 1 1 5 LYS H H 0.194 3.268 -0.411 1.00 . A A . 8 LYS H 1 1
9 1207 1 1 5 LYS HA H 2.229 3.447 -2.679 1.00 . A A . 8 LYS HA 1 1
9 1208 1 1 5 LYS HB2 H 2.534 3.655 0.381 1.00 . A A . 8 LYS HB2 1 1
9 1209 1 1 5 LYS HB3 H 3.822 3.917 -0.782 1.00 . A A . 8 LYS HB3 1 1
9 1210 1 1 5 LYS HD2 H 4.249 6.456 0.032 1.00 . A A . 8 LYS HD2 1 1
9 1211 1 1 5 LYS HD3 H 2.854 7.495 0.046 1.00 . A A . 8 LYS HD3 1 1
9 1212 1 1 5 LYS HE2 H 2.940 7.160 2.334 1.00 . A A . 8 LYS HE2 1 1
9 1213 1 1 5 LYS HE3 H 1.859 5.840 1.920 1.00 . A A . 8 LYS HE3 1 1
9 1214 1 1 5 LYS HG2 H 2.589 5.899 -1.751 1.00 . A A . 8 LYS HG2 1 1
9 1215 1 1 5 LYS HG3 H 1.309 5.698 -0.578 1.00 . A A . 8 LYS HG3 1 1
9 1216 1 1 5 LYS HZ1 H 4.809 5.658 2.518 1.00 . A A . 8 LYS HZ1 1 1
9 1217 1 1 5 LYS HZ2 H 3.593 4.772 3.208 1.00 . A A . 8 LYS HZ2 1 1
9 1218 1 1 5 LYS HZ3 H 4.074 4.462 1.680 1.00 . A A . 8 LYS HZ3 1 1
9 1219 1 1 5 LYS N N 0.554 3.196 -1.366 1.00 . A A . 8 LYS N 1 1
9 1220 1 1 5 LYS NZ N 3.890 5.236 2.330 1.00 . A A . 8 LYS NZ 1 1
9 1221 1 1 5 LYS O O 3.816 1.475 -1.812 1.00 . A A . 8 LYS O 1 1
9 1222 1 1 6 TYR C C 1.984 -1.861 -1.469 1.00 . A A . 9 TYR C 1 1
9 1223 1 1 6 TYR CA C 2.413 -0.654 -0.579 1.00 . A A . 9 TYR CA 1 1
9 1224 1 1 6 TYR CB C 1.862 -0.830 0.868 1.00 . A A . 9 TYR CB 1 1
9 1225 1 1 6 TYR CD1 C 1.391 1.298 2.196 1.00 . A A . 9 TYR CD1 1 1
9 1226 1 1 6 TYR CD2 C 3.525 0.209 2.509 1.00 . A A . 9 TYR CD2 1 1
9 1227 1 1 6 TYR CE1 C 1.781 2.310 3.069 1.00 . A A . 9 TYR CE1 1 1
9 1228 1 1 6 TYR CE2 C 3.909 1.220 3.388 1.00 . A A . 9 TYR CE2 1 1
9 1229 1 1 6 TYR CG C 2.266 0.244 1.901 1.00 . A A . 9 TYR CG 1 1
9 1230 1 1 6 TYR CZ C 3.039 2.272 3.662 1.00 . A A . 9 TYR CZ 1 1
9 1231 1 1 6 TYR H H 0.873 0.864 -0.905 1.00 . A A . 9 TYR H 1 1
9 1232 1 1 6 TYR HA H 3.520 -0.616 -0.529 1.00 . A A . 9 TYR HA 1 1
9 1233 1 1 6 TYR HB2 H 0.756 -0.915 0.830 1.00 . A A . 9 TYR HB2 1 1
9 1234 1 1 6 TYR HB3 H 2.178 -1.815 1.246 1.00 . A A . 9 TYR HB3 1 1
9 1235 1 1 6 TYR HD1 H 0.416 1.342 1.731 1.00 . A A . 9 TYR HD1 1 1
9 1236 1 1 6 TYR HD2 H 4.214 -0.595 2.289 1.00 . A A . 9 TYR HD2 1 1
9 1237 1 1 6 TYR HE1 H 1.107 3.123 3.291 1.00 . A A . 9 TYR HE1 1 1
9 1238 1 1 6 TYR HE2 H 4.890 1.189 3.841 1.00 . A A . 9 TYR HE2 1 1
9 1239 1 1 6 TYR HH H 4.024 2.929 5.150 1.00 . A A . 9 TYR HH 1 1
9 1240 1 1 6 TYR N N 1.860 0.620 -1.108 1.00 . A A . 9 TYR N 1 1
9 1241 1 1 6 TYR O O 0.829 -1.940 -1.903 1.00 . A A . 9 TYR O 1 1
9 1242 1 1 6 TYR OH O 3.433 3.295 4.485 1.00 . A A . 9 TYR OH 1 1
9 1243 1 1 7 CYS C C 3.262 -5.338 -1.724 1.00 . A A . 10 CYS C 1 1
9 1244 1 1 7 CYS CA C 2.515 -4.123 -2.352 1.00 . A A . 10 CYS CA 1 1
9 1245 1 1 7 CYS CB C 2.622 -3.986 -3.890 1.00 . A A . 10 CYS CB 1 1
9 1246 1 1 7 CYS H H 3.813 -2.678 -1.291 1.00 . A A . 10 CYS H 1 1
9 1247 1 1 7 CYS HA H 1.452 -4.321 -2.158 1.00 . A A . 10 CYS HA 1 1
9 1248 1 1 7 CYS HB2 H 2.258 -2.994 -4.223 1.00 . A A . 10 CYS HB2 1 1
9 1249 1 1 7 CYS HB3 H 3.674 -4.052 -4.230 1.00 . A A . 10 CYS HB3 1 1
9 1250 1 1 7 CYS N N 2.887 -2.833 -1.699 1.00 . A A . 10 CYS N 1 1
9 1251 1 1 7 CYS O O 4.244 -5.845 -2.275 1.00 . A A . 10 CYS O 1 1
9 1252 1 1 7 CYS SG S 1.617 -5.220 -4.757 1.00 . A A . 10 CYS SG 1 1
9 1253 1 1 8 VAL C C 2.030 -7.713 0.741 1.00 . A A . 11 VAL C 1 1
9 1254 1 1 8 VAL CA C 3.275 -7.014 0.136 1.00 . A A . 11 VAL CA 1 1
9 1255 1 1 8 VAL CB C 4.430 -6.762 1.174 1.00 . A A . 11 VAL CB 1 1
9 1256 1 1 8 VAL CG1 C 5.803 -6.544 0.504 1.00 . A A . 11 VAL CG1 1 1
9 1257 1 1 8 VAL CG2 C 4.197 -5.627 2.201 1.00 . A A . 11 VAL CG2 1 1
9 1258 1 1 8 VAL H H 1.918 -5.346 -0.209 1.00 . A A . 11 VAL H 1 1
9 1259 1 1 8 VAL HA H 3.657 -7.733 -0.615 1.00 . A A . 11 VAL HA 1 1
9 1260 1 1 8 VAL HB H 4.520 -7.699 1.758 1.00 . A A . 11 VAL HB 1 1
9 1261 1 1 8 VAL HG11 H 6.623 -6.494 1.244 1.00 . A A . 11 VAL HG11 1 1
9 1262 1 1 8 VAL HG12 H 6.051 -7.365 -0.193 1.00 . A A . 11 VAL HG12 1 1
9 1263 1 1 8 VAL HG13 H 5.830 -5.606 -0.082 1.00 . A A . 11 VAL HG13 1 1
9 1264 1 1 8 VAL HG21 H 5.009 -5.569 2.950 1.00 . A A . 11 VAL HG21 1 1
9 1265 1 1 8 VAL HG22 H 4.124 -4.638 1.713 1.00 . A A . 11 VAL HG22 1 1
9 1266 1 1 8 VAL HG23 H 3.256 -5.778 2.762 1.00 . A A . 11 VAL HG23 1 1
9 1267 1 1 8 VAL N N 2.771 -5.797 -0.559 1.00 . A A . 11 VAL N 1 1
9 1268 1 1 8 VAL O O 1.543 -8.707 0.154 1.00 . A A . 11 VAL O 1 1
9 1269 1 1 8 VAL OXT O 1.474 -7.256 1.770 1.00 . A A . 11 VAL OXT 1 1
10 1270 1 1 1 ASP C C -1.333 -6.054 -0.364 1.00 . A A . 4 ASP C 1 1
10 1271 1 1 1 ASP CA C -1.968 -7.282 0.362 1.00 . A A . 4 ASP CA 1 1
10 1272 1 1 1 ASP CB C -2.604 -6.890 1.720 1.00 . A A . 4 ASP CB 1 1
10 1273 1 1 1 ASP CG C -3.410 -8.004 2.392 1.00 . A A . 4 ASP CG 1 1
10 1274 1 1 1 ASP H1 H -0.726 -8.944 -0.194 1.00 . A A . 4 ASP H1 1 1
10 1275 1 1 1 ASP H2 H -0.051 -8.047 0.963 1.00 . A A . 4 ASP H2 1 1
10 1276 1 1 1 ASP H3 H -1.394 -8.976 1.364 1.00 . A A . 4 ASP H3 1 1
10 1277 1 1 1 ASP HA H -2.778 -7.695 -0.274 1.00 . A A . 4 ASP HA 1 1
10 1278 1 1 1 ASP HB2 H -1.834 -6.539 2.432 1.00 . A A . 4 ASP HB2 1 1
10 1279 1 1 1 ASP HB3 H -3.280 -6.025 1.580 1.00 . A A . 4 ASP HB3 1 1
10 1280 1 1 1 ASP N N -1.001 -8.377 0.614 1.00 . A A . 4 ASP N 1 1
10 1281 1 1 1 ASP O O -0.309 -5.520 0.077 1.00 . A A . 4 ASP O 1 1
10 1282 1 1 1 ASP OD1 O -2.847 -9.110 2.555 1.00 . A A . 4 ASP OD1 1 1
10 1283 1 1 1 ASP OD2 O -4.593 -7.791 2.721 1.00 . A A . 4 ASP OD2 1 1
10 1284 1 1 2 CYS C C -2.544 -3.200 -2.085 1.00 . A A . 5 CYS C 1 1
10 1285 1 1 2 CYS CA C -1.513 -4.366 -2.187 1.00 . A A . 5 CYS CA 1 1
10 1286 1 1 2 CYS CB C -1.172 -4.763 -3.631 1.00 . A A . 5 CYS CB 1 1
10 1287 1 1 2 CYS H H -2.795 -6.085 -1.775 1.00 . A A . 5 CYS H 1 1
10 1288 1 1 2 CYS HA H -0.569 -4.009 -1.746 1.00 . A A . 5 CYS HA 1 1
10 1289 1 1 2 CYS HB2 H -2.041 -5.207 -4.147 1.00 . A A . 5 CYS HB2 1 1
10 1290 1 1 2 CYS HB3 H -0.883 -3.862 -4.200 1.00 . A A . 5 CYS HB3 1 1
10 1291 1 1 2 CYS N N -1.960 -5.583 -1.463 1.00 . A A . 5 CYS N 1 1
10 1292 1 1 2 CYS O O -3.748 -3.365 -2.302 1.00 . A A . 5 CYS O 1 1
10 1293 1 1 2 CYS SG S 0.225 -5.913 -3.613 1.00 . A A . 5 CYS SG 1 1
10 1294 1 1 3 PHE C C -2.062 0.459 -1.186 1.00 . A A . 6 PHE C 1 1
10 1295 1 1 3 PHE CA C -2.865 -0.899 -1.170 1.00 . A A . 6 PHE CA 1 1
10 1296 1 1 3 PHE CB C -3.397 -1.227 0.264 1.00 . A A . 6 PHE CB 1 1
10 1297 1 1 3 PHE CD1 C -1.741 -2.633 1.615 1.00 . A A . 6 PHE CD1 1 1
10 1298 1 1 3 PHE CD2 C -2.073 -0.332 2.263 1.00 . A A . 6 PHE CD2 1 1
10 1299 1 1 3 PHE CE1 C -0.804 -2.786 2.632 1.00 . A A . 6 PHE CE1 1 1
10 1300 1 1 3 PHE CE2 C -1.140 -0.487 3.287 1.00 . A A . 6 PHE CE2 1 1
10 1301 1 1 3 PHE CG C -2.377 -1.403 1.416 1.00 . A A . 6 PHE CG 1 1
10 1302 1 1 3 PHE CZ C -0.505 -1.713 3.469 1.00 . A A . 6 PHE CZ 1 1
10 1303 1 1 3 PHE H H -1.022 -2.027 -1.546 1.00 . A A . 6 PHE H 1 1
10 1304 1 1 3 PHE HA H -3.744 -0.806 -1.833 1.00 . A A . 6 PHE HA 1 1
10 1305 1 1 3 PHE HB2 H -4.112 -0.436 0.534 1.00 . A A . 6 PHE HB2 1 1
10 1306 1 1 3 PHE HB3 H -4.030 -2.134 0.209 1.00 . A A . 6 PHE HB3 1 1
10 1307 1 1 3 PHE HD1 H -1.963 -3.473 0.972 1.00 . A A . 6 PHE HD1 1 1
10 1308 1 1 3 PHE HD2 H -2.550 0.628 2.123 1.00 . A A . 6 PHE HD2 1 1
10 1309 1 1 3 PHE HE1 H -0.309 -3.738 2.768 1.00 . A A . 6 PHE HE1 1 1
10 1310 1 1 3 PHE HE2 H -0.904 0.345 3.936 1.00 . A A . 6 PHE HE2 1 1
10 1311 1 1 3 PHE HZ H 0.224 -1.832 4.258 1.00 . A A . 6 PHE HZ 1 1
10 1312 1 1 3 PHE N N -2.041 -2.019 -1.694 1.00 . A A . 6 PHE N 1 1
10 1313 1 1 3 PHE O O -0.907 0.436 -0.742 1.00 . A A . 6 PHE O 1 1
10 1314 1 1 4 . C C -0.509 3.049 -2.181 1.00 . A A . 7 E9M C 1 1
10 1315 1 1 4 . CA C -1.851 2.969 -1.363 1.00 . A A . 7 E9M CA 1 1
10 1316 1 1 4 . CB C -1.821 3.254 0.182 1.00 . A A . 7 E9M CB 1 1
10 1317 1 1 4 . CD1 C -0.997 5.787 0.012 1.00 . A A . 7 E9M CD1 1 1
10 1318 1 1 4 . CD2 C -1.045 4.892 2.048 1.00 . A A . 7 E9M CD2 1 1
10 1319 1 1 4 . CE2 C -0.541 6.214 2.122 1.00 . A A . 7 E9M CE2 1 1
10 1320 1 1 4 . CE3 C -1.195 4.114 3.227 1.00 . A A . 7 E9M CE3 1 1
10 1321 1 1 4 . CG C -1.323 4.607 0.721 1.00 . A A . 7 E9M CG 1 1
10 1322 1 1 4 . CH2 C -0.326 5.986 4.521 1.00 . A A . 7 E9M CH2 1 1
10 1323 1 1 4 . CN2 C -3.960 1.736 -2.189 1.00 . A A . 7 E9M CN2 1 1
10 1324 1 1 4 . CZ2 C -0.177 6.766 3.371 1.00 . A A . 7 E9M CZ2 1 1
10 1325 1 1 4 . CZ3 C -0.830 4.681 4.450 1.00 . A A . 7 E9M CZ3 1 1
10 1326 1 1 4 . HA H -2.447 3.794 -1.793 1.00 . A A . 7 E9M HA 1 1
10 1327 1 1 4 . HB2 H -2.826 3.076 0.594 1.00 . A A . 7 E9M HB2 1 1
10 1328 1 1 4 . HB3 H -1.213 2.469 0.667 1.00 . A A . 7 E9M HB3 1 1
10 1329 1 1 4 . HD1 H -1.099 5.902 -1.060 1.00 . A A . 7 E9M HD1 1 1
10 1330 1 1 4 . HE1 H -0.242 7.758 0.629 1.00 . A A . 7 E9M HE1 1 1
10 1331 1 1 4 . HE3 H -1.579 3.105 3.182 1.00 . A A . 7 E9M HE3 1 1
10 1332 1 1 4 . HH2 H -0.059 6.400 5.483 1.00 . A A . 7 E9M HH2 1 1
10 1333 1 1 4 . HN1 H -4.023 1.132 -3.114 1.00 . A A . 7 E9M HN1 1 1
10 1334 1 1 4 . HN2 H -4.737 1.371 -1.489 1.00 . A A . 7 E9M HN2 1 1
10 1335 1 1 4 . HN3 H -4.259 2.762 -2.475 1.00 . A A . 7 E9M HN3 1 1
10 1336 1 1 4 . HZ2 H 0.200 7.776 3.436 1.00 . A A . 7 E9M HZ2 1 1
10 1337 1 1 4 . HZ3 H -0.942 4.103 5.356 1.00 . A A . 7 E9M HZ3 1 1
10 1338 1 1 4 . N N -2.600 1.668 -1.587 1.00 . A A . 7 E9M N 1 1
10 1339 1 1 4 . NE1 N -0.494 6.791 0.864 1.00 . A A . 7 E9M NE1 1 1
10 1340 1 1 4 . O O -0.523 2.976 -3.411 1.00 . A A . 7 E9M O 1 1
10 1341 1 1 5 LYS C C 2.671 1.583 -1.705 1.00 . A A . 8 LYS C 1 1
10 1342 1 1 5 LYS CA C 1.992 2.957 -2.071 1.00 . A A . 8 LYS CA 1 1
10 1343 1 1 5 LYS CB C 2.848 4.189 -1.649 1.00 . A A . 8 LYS CB 1 1
10 1344 1 1 5 LYS CD C 4.078 5.566 0.146 1.00 . A A . 8 LYS CD 1 1
10 1345 1 1 5 LYS CE C 4.433 5.676 1.639 1.00 . A A . 8 LYS CE 1 1
10 1346 1 1 5 LYS CG C 3.166 4.357 -0.138 1.00 . A A . 8 LYS CG 1 1
10 1347 1 1 5 LYS H H 0.503 3.299 -0.488 1.00 . A A . 8 LYS H 1 1
10 1348 1 1 5 LYS HA H 1.940 2.964 -3.178 1.00 . A A . 8 LYS HA 1 1
10 1349 1 1 5 LYS HB2 H 3.799 4.128 -2.204 1.00 . A A . 8 LYS HB2 1 1
10 1350 1 1 5 LYS HB3 H 2.367 5.111 -2.033 1.00 . A A . 8 LYS HB3 1 1
10 1351 1 1 5 LYS HD2 H 5.000 5.476 -0.464 1.00 . A A . 8 LYS HD2 1 1
10 1352 1 1 5 LYS HD3 H 3.573 6.489 -0.206 1.00 . A A . 8 LYS HD3 1 1
10 1353 1 1 5 LYS HE2 H 3.505 5.739 2.251 1.00 . A A . 8 LYS HE2 1 1
10 1354 1 1 5 LYS HE3 H 4.933 4.740 1.981 1.00 . A A . 8 LYS HE3 1 1
10 1355 1 1 5 LYS HG2 H 2.222 4.456 0.435 1.00 . A A . 8 LYS HG2 1 1
10 1356 1 1 5 LYS HG3 H 3.639 3.428 0.243 1.00 . A A . 8 LYS HG3 1 1
10 1357 1 1 5 LYS HZ1 H 6.181 6.807 1.329 1.00 . A A . 8 LYS HZ1 1 1
10 1358 1 1 5 LYS HZ2 H 4.860 7.740 1.593 1.00 . A A . 8 LYS HZ2 1 1
10 1359 1 1 5 LYS HZ3 H 5.589 6.972 2.854 1.00 . A A . 8 LYS HZ3 1 1
10 1360 1 1 5 LYS N N 0.636 3.184 -1.496 1.00 . A A . 8 LYS N 1 1
10 1361 1 1 5 LYS NZ N 5.308 6.856 1.870 1.00 . A A . 8 LYS NZ 1 1
10 1362 1 1 5 LYS O O 3.876 1.430 -1.928 1.00 . A A . 8 LYS O 1 1
10 1363 1 1 6 TYR C C 2.025 -1.891 -1.217 1.00 . A A . 9 TYR C 1 1
10 1364 1 1 6 TYR CA C 2.533 -0.604 -0.502 1.00 . A A . 9 TYR CA 1 1
10 1365 1 1 6 TYR CB C 2.094 -0.611 0.988 1.00 . A A . 9 TYR CB 1 1
10 1366 1 1 6 TYR CD1 C 3.942 0.593 2.280 1.00 . A A . 9 TYR CD1 1 1
10 1367 1 1 6 TYR CD2 C 1.729 1.562 2.270 1.00 . A A . 9 TYR CD2 1 1
10 1368 1 1 6 TYR CE1 C 4.397 1.647 3.070 1.00 . A A . 9 TYR CE1 1 1
10 1369 1 1 6 TYR CE2 C 2.185 2.608 3.068 1.00 . A A . 9 TYR CE2 1 1
10 1370 1 1 6 TYR CG C 2.603 0.543 1.875 1.00 . A A . 9 TYR CG 1 1
10 1371 1 1 6 TYR CZ C 3.516 2.649 3.468 1.00 . A A . 9 TYR CZ 1 1
10 1372 1 1 6 TYR H H 0.947 0.821 -0.961 1.00 . A A . 9 TYR H 1 1
10 1373 1 1 6 TYR HA H 3.642 -0.574 -0.539 1.00 . A A . 9 TYR HA 1 1
10 1374 1 1 6 TYR HB2 H 0.986 -0.667 1.032 1.00 . A A . 9 TYR HB2 1 1
10 1375 1 1 6 TYR HB3 H 2.414 -1.564 1.439 1.00 . A A . 9 TYR HB3 1 1
10 1376 1 1 6 TYR HD1 H 4.631 -0.184 1.982 1.00 . A A . 9 TYR HD1 1 1
10 1377 1 1 6 TYR HD2 H 0.694 1.543 1.959 1.00 . A A . 9 TYR HD2 1 1
10 1378 1 1 6 TYR HE1 H 5.430 1.682 3.385 1.00 . A A . 9 TYR HE1 1 1
10 1379 1 1 6 TYR HE2 H 1.508 3.392 3.366 1.00 . A A . 9 TYR HE2 1 1
10 1380 1 1 6 TYR HH H 3.222 3.986 4.791 1.00 . A A . 9 TYR HH 1 1
10 1381 1 1 6 TYR N N 1.944 0.602 -1.137 1.00 . A A . 9 TYR N 1 1
10 1382 1 1 6 TYR O O 0.818 -2.053 -1.430 1.00 . A A . 9 TYR O 1 1
10 1383 1 1 6 TYR OH O 3.958 3.679 4.255 1.00 . A A . 9 TYR OH 1 1
10 1384 1 1 7 CYS C C 3.345 -5.315 -1.674 1.00 . A A . 10 CYS C 1 1
10 1385 1 1 7 CYS CA C 2.553 -4.096 -2.236 1.00 . A A . 10 CYS CA 1 1
10 1386 1 1 7 CYS CB C 2.653 -3.896 -3.767 1.00 . A A . 10 CYS CB 1 1
10 1387 1 1 7 CYS H H 3.901 -2.599 -1.311 1.00 . A A . 10 CYS H 1 1
10 1388 1 1 7 CYS HA H 1.492 -4.313 -2.032 1.00 . A A . 10 CYS HA 1 1
10 1389 1 1 7 CYS HB2 H 2.208 -2.927 -4.065 1.00 . A A . 10 CYS HB2 1 1
10 1390 1 1 7 CYS HB3 H 3.706 -3.865 -4.104 1.00 . A A . 10 CYS HB3 1 1
10 1391 1 1 7 CYS N N 2.933 -2.821 -1.564 1.00 . A A . 10 CYS N 1 1
10 1392 1 1 7 CYS O O 4.392 -5.698 -2.205 1.00 . A A . 10 CYS O 1 1
10 1393 1 1 7 CYS SG S 1.760 -5.179 -4.681 1.00 . A A . 10 CYS SG 1 1
10 1394 1 1 8 VAL C C 2.058 -8.001 0.314 1.00 . A A . 11 VAL C 1 1
10 1395 1 1 8 VAL CA C 3.343 -7.201 -0.035 1.00 . A A . 11 VAL CA 1 1
10 1396 1 1 8 VAL CB C 4.331 -7.012 1.173 1.00 . A A . 11 VAL CB 1 1
10 1397 1 1 8 VAL CG1 C 4.823 -8.354 1.764 1.00 . A A . 11 VAL CG1 1 1
10 1398 1 1 8 VAL CG2 C 5.592 -6.180 0.842 1.00 . A A . 11 VAL CG2 1 1
10 1399 1 1 8 VAL H H 1.910 -5.572 -0.275 1.00 . A A . 11 VAL H 1 1
10 1400 1 1 8 VAL HA H 3.863 -7.779 -0.824 1.00 . A A . 11 VAL HA 1 1
10 1401 1 1 8 VAL HB H 3.775 -6.481 1.971 1.00 . A A . 11 VAL HB 1 1
10 1402 1 1 8 VAL HG11 H 5.481 -8.209 2.641 1.00 . A A . 11 VAL HG11 1 1
10 1403 1 1 8 VAL HG12 H 3.976 -8.977 2.109 1.00 . A A . 11 VAL HG12 1 1
10 1404 1 1 8 VAL HG13 H 5.383 -8.955 1.023 1.00 . A A . 11 VAL HG13 1 1
10 1405 1 1 8 VAL HG21 H 6.261 -6.065 1.716 1.00 . A A . 11 VAL HG21 1 1
10 1406 1 1 8 VAL HG22 H 6.185 -6.636 0.026 1.00 . A A . 11 VAL HG22 1 1
10 1407 1 1 8 VAL HG23 H 5.329 -5.159 0.514 1.00 . A A . 11 VAL HG23 1 1
10 1408 1 1 8 VAL N N 2.826 -5.917 -0.588 1.00 . A A . 11 VAL N 1 1
10 1409 1 1 8 VAL O O 1.433 -7.764 1.377 1.00 . A A . 11 VAL O 1 1
10 1410 1 1 8 VAL OXT O 1.620 -8.847 -0.500 1.00 . A A . 11 VAL OXT 1 1
stop_
save_