NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
597695 |
2n7o   |
25814 | cing | 4-filtered-FRED | STAR | entry | full | 47 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n7o
# This FRED archive file contains, for PDB entry <2n7o>:
#
# - 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_2n7o
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2n7o
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1131.33
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 $Peptide_PG_990 A . 1 1
stop_
save_
save_Peptide_PG_990
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Peptide PG 990"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XXDPPXRWKX
_Entity.Number_of_monomers 10
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 ACE $ACE 1 1
2 NLE $NLE 1 1
3 ASP . 1 1
4 PRO . 1 1
5 PRO . 1 1
6 . $. 1 1
7 ARG . 1 1
8 TRP . 1 1
9 LYS . 1 1
10 NH2 $NH2 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
ACE 1 1 1 1
NLE 2 2 1 1
ASP 3 3 1 1
PRO 4 4 1 1
PRO 5 5 1 1
. 6 6 1 1
ARG 7 7 1 1
TRP 8 8 1 1
LYS 9 9 1 1
NH2 10 10 1 1
stop_
save_
save_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ACE
_Chem_comp.Type non-polymer
save_
save_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NH2
_Chem_comp.Type non-polymer
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_NLE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NLE
_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
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 NLE HA . 4 NLE HA 1 1
1 1 2 1 1 3 ASP H . 5 ASP HN 1 1
2 1 1 1 1 2 NLE HA . 4 NLE HA 1 1
2 1 2 1 1 8 TRP HE3 . 10 TRP HE3 1 1
3 1 1 1 1 2 NLE HA . 4 NLE HA 1 1
3 1 2 1 1 9 LYS H . 11 LYS HN 1 1
4 1 1 1 1 2 NLE HB2 . 4 NLE HB2 1 1
4 1 2 1 1 3 ASP H . 5 ASP HN 1 1
5 1 1 1 1 2 NLE HB3 . 4 NLE HB3 1 1
5 1 2 1 1 3 ASP H . 5 ASP HN 1 1
6 1 1 1 1 3 ASP H . 5 ASP HN 1 1
6 1 2 1 1 3 ASP HB2 . 5 ASP HB2 1 1
7 1 1 1 1 3 ASP H . 5 ASP HN 1 1
7 1 2 1 1 3 ASP QB . 5 ASP QB 1 1
8 1 1 1 1 3 ASP H . 5 ASP HN 1 1
8 1 2 1 1 3 ASP HB3 . 5 ASP HB3 1 1
9 1 1 1 1 3 ASP H . 5 ASP HN 1 1
9 1 2 1 1 9 LYS H . 11 LYS HN 1 1
10 1 1 1 1 3 ASP HA . 5 ASP HA 1 1
10 1 2 1 1 4 PRO HD2 . 6 PRO HD2 1 1
11 1 1 1 1 3 ASP HA . 5 ASP HA 1 1
11 1 2 1 1 4 PRO HD3 . 6 PRO HD3 1 1
12 1 1 1 1 3 ASP QB . 5 ASP QB 1 1
12 1 2 1 1 4 PRO QD . 6 PRO QD 1 1
13 1 1 1 1 4 PRO HA . 6 PRO HA 1 1
13 1 2 1 1 5 PRO HA . 7 PRO HA 1 1
14 1 1 1 1 4 PRO HA . 6 PRO HA 1 1
14 1 2 1 1 7 ARG H . 9 ARG HN 1 1
15 1 1 1 1 7 ARG H . 9 ARG HN 1 1
15 1 2 1 1 7 ARG HB2 . 9 ARG HB2 1 1
16 1 1 1 1 7 ARG H . 9 ARG HN 1 1
16 1 2 1 1 7 ARG QB . 9 ARG QB 1 1
17 1 1 1 1 7 ARG H . 9 ARG HN 1 1
17 1 2 1 1 7 ARG HB3 . 9 ARG HB3 1 1
18 1 1 1 1 7 ARG H . 9 ARG HN 1 1
18 1 2 1 1 7 ARG HG2 . 9 ARG HG2 1 1
19 1 1 1 1 7 ARG H . 9 ARG HN 1 1
19 1 2 1 1 7 ARG HG3 . 9 ARG HG3 1 1
20 1 1 1 1 7 ARG H . 9 ARG HN 1 1
20 1 2 1 1 8 TRP H . 10 TRP HN 1 1
21 1 1 1 1 7 ARG HA . 9 ARG HA 1 1
21 1 2 1 1 8 TRP H . 10 TRP HN 1 1
22 1 1 1 1 7 ARG QB . 9 ARG QB 1 1
22 1 2 1 1 8 TRP H . 10 TRP HN 1 1
23 1 1 1 1 7 ARG HB2 . 9 ARG HB2 1 1
23 1 2 1 1 8 TRP H . 10 TRP HN 1 1
24 1 1 1 1 7 ARG HB3 . 9 ARG HB3 1 1
24 1 2 1 1 8 TRP H . 10 TRP HN 1 1
25 1 1 1 1 8 TRP H . 10 TRP HN 1 1
25 1 2 1 1 8 TRP HB2 . 10 TRP HB2 1 1
26 1 1 1 1 8 TRP H . 10 TRP HN 1 1
26 1 2 1 1 8 TRP HB3 . 10 TRP HB3 1 1
27 1 1 1 1 8 TRP H . 10 TRP HN 1 1
27 1 2 1 1 8 TRP HD1 . 10 TRP HD1 1 1
28 1 1 1 1 8 TRP H . 10 TRP HN 1 1
28 1 2 1 1 8 TRP HE3 . 10 TRP HE3 1 1
29 1 1 1 1 8 TRP H . 10 TRP HN 1 1
29 1 2 1 1 9 LYS H . 11 LYS HN 1 1
30 1 1 1 1 8 TRP HA . 10 TRP HA 1 1
30 1 2 1 1 8 TRP HD1 . 10 TRP HD1 1 1
31 1 1 1 1 8 TRP HA . 10 TRP HA 1 1
31 1 2 1 1 8 TRP HE3 . 10 TRP HE3 1 1
32 1 1 1 1 8 TRP HA . 10 TRP HA 1 1
32 1 2 1 1 9 LYS H . 11 LYS HN 1 1
33 1 1 1 1 8 TRP QB . 10 TRP QB 1 1
33 1 2 1 1 8 TRP HD1 . 10 TRP HD1 1 1
34 1 1 1 1 8 TRP HB2 . 10 TRP HB2 1 1
34 1 2 1 1 8 TRP HD1 . 10 TRP HD1 1 1
35 1 1 1 1 8 TRP HB2 . 10 TRP HB2 1 1
35 1 2 1 1 8 TRP HE3 . 10 TRP HE3 1 1
36 1 1 1 1 8 TRP HB2 . 10 TRP HB2 1 1
36 1 2 1 1 9 LYS H . 11 LYS HN 1 1
37 1 1 1 1 8 TRP HB3 . 10 TRP HB3 1 1
37 1 2 1 1 8 TRP HD1 . 10 TRP HD1 1 1
38 1 1 1 1 8 TRP HB3 . 10 TRP HB3 1 1
38 1 2 1 1 8 TRP HE3 . 10 TRP HE3 1 1
39 1 1 1 1 8 TRP HB3 . 10 TRP HB3 1 1
39 1 2 1 1 9 LYS H . 11 LYS HN 1 1
40 1 1 1 1 8 TRP HD1 . 10 TRP HD1 1 1
40 1 2 1 1 9 LYS H . 11 LYS HN 1 1
41 1 1 1 1 8 TRP HE3 . 10 TRP HE3 1 1
41 1 2 1 1 9 LYS H . 11 LYS HN 1 1
42 1 1 1 1 9 LYS H . 11 LYS HN 1 1
42 1 2 1 1 9 LYS HB2 . 11 LYS HB2 1 1
43 1 1 1 1 9 LYS H . 11 LYS HN 1 1
43 1 2 1 1 9 LYS QB . 11 LYS QB 1 1
44 1 1 1 1 9 LYS H . 11 LYS HN 1 1
44 1 2 1 1 9 LYS HB3 . 11 LYS HB3 1 1
45 1 1 1 1 9 LYS H . 11 LYS HN 1 1
45 1 2 1 1 9 LYS HG2 . 11 LYS HG2 1 1
46 1 1 1 1 9 LYS H . 11 LYS HN 1 1
46 1 2 1 1 9 LYS HG3 . 11 LYS HG3 1 1
47 1 1 1 1 9 LYS HA . 11 LYS HA 1 1
47 1 2 1 1 9 LYS QG . 11 LYS QG 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 . . . . . . . 2.71 1 1
2 1 . . . . . . . 4.42 1 1
3 1 . . . . . . . 3.42 1 1
4 1 . . . . . . . 3.64 1 1
5 1 . . . . . . . 3.64 1 1
6 1 . . . . . . . 3.42 1 1
7 1 . . . . . . . 2.92 1 1
8 1 . . . . . . . 3.42 1 1
9 1 . . . . . . . 3.98 1 1
10 1 . . . . . . . 3.36 1 1
11 1 . . . . . . . 3.36 1 1
12 1 . . . . . . . 3.81 1 1
13 1 . . . . . . . 2.65 1 1
14 1 . . . . . . . 3.79 1 1
15 1 . . . . . . . 3.52 1 1
16 1 . . . . . . . 3.04 1 1
17 1 . . . . . . . 3.52 1 1
18 1 . . . . . . . 4.76 1 1
19 1 . . . . . . . 4.76 1 1
20 1 . . . . . . . 4.82 1 1
21 1 . . . . . . . 2.99 1 1
22 1 . . . . . . . 3.16 1 1
23 1 . . . . . . . 3.67 1 1
24 1 . . . . . . . 3.67 1 1
25 1 . . . . . . . 3.08 1 1
26 1 . . . . . . . 3.08 1 1
27 1 . . . . . . . 4.26 1 1
28 1 . . . . . . . 5.38 1 1
29 1 . . . . . . . 4.14 1 1
30 1 . . . . . . . 4.76 1 1
31 1 . . . . . . . 3.14 1 1
32 1 . . . . . . . 2.77 1 1
33 1 . . . . . . . 3.14 1 1
34 1 . . . . . . . 3.67 1 1
35 1 . . . . . . . 4.04 1 1
36 1 . . . . . . . 3.86 1 1
37 1 . . . . . . . 3.67 1 1
38 1 . . . . . . . 4.04 1 1
39 1 . . . . . . . 3.86 1 1
40 1 . . . . . . . 5.13 1 1
41 1 . . . . . . . 4.01 1 1
42 1 . . . . . . . 3.39 1 1
43 1 . . . . . . . 2.93 1 1
44 1 . . . . . . . 3.39 1 1
45 1 . . . . . . . 4.23 1 1
46 1 . . . . . . . 4.23 1 1
47 1 . . . . . . . 3.72 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 ACE C C 2.154 -2.976 3.786 1.00 . A A . 3 ACE C 1 1
1 2 1 1 1 ACE CH3 C 3.261 -2.832 2.745 1.00 . A A . 3 ACE CH3 1 1
1 3 1 1 1 ACE H1 H 2.876 -2.846 1.712 1.00 . A A . 3 ACE H1 1 1
1 4 1 1 1 ACE H2 H 3.799 -1.877 2.887 1.00 . A A . 3 ACE H2 1 1
1 5 1 1 1 ACE H3 H 3.997 -3.648 2.842 1.00 . A A . 3 ACE H3 1 1
1 6 1 1 1 ACE O O 2.372 -3.617 4.806 1.00 . A A . 3 ACE O 1 1
1 7 1 1 2 NLE C C 1.191 -0.395 2.062 1.00 . A A . 4 NLE C 1 1
1 8 1 1 2 NLE CA C 0.424 -1.693 2.483 1.00 . A A . 4 NLE CA 1 1
1 9 1 1 2 NLE CB C -1.097 -1.457 2.704 1.00 . A A . 4 NLE CB 1 1
1 10 1 1 2 NLE CD C -3.020 -0.400 4.068 1.00 . A A . 4 NLE CD 1 1
1 11 1 1 2 NLE CE C -3.375 0.744 5.029 1.00 . A A . 4 NLE CE 1 1
1 12 1 1 2 NLE CG C -1.508 -0.440 3.799 1.00 . A A . 4 NLE CG 1 1
1 13 1 1 2 NLE H H 0.371 -2.590 4.503 1.00 . A A . 4 NLE H 1 1
1 14 1 1 2 NLE HA H 0.490 -2.409 1.639 1.00 . A A . 4 NLE HA 1 1
1 15 1 1 2 NLE HB2 H -1.573 -2.432 2.907 1.00 . A A . 4 NLE HB2 1 1
1 16 1 1 2 NLE HB3 H -1.547 -1.139 1.746 1.00 . A A . 4 NLE HB3 1 1
1 17 1 1 2 NLE HD2 H -3.357 -1.365 4.492 1.00 . A A . 4 NLE HD2 1 1
1 18 1 1 2 NLE HD3 H -3.582 -0.279 3.123 1.00 . A A . 4 NLE HD3 1 1
1 19 1 1 2 NLE HE1 H -2.871 0.632 6.007 1.00 . A A . 4 NLE HE1 1 1
1 20 1 1 2 NLE HE2 H -3.076 1.730 4.624 1.00 . A A . 4 NLE HE2 1 1
1 21 1 1 2 NLE HE3 H -4.462 0.791 5.222 1.00 . A A . 4 NLE HE3 1 1
1 22 1 1 2 NLE HG2 H -1.154 0.562 3.503 1.00 . A A . 4 NLE HG2 1 1
1 23 1 1 2 NLE HG3 H -0.979 -0.641 4.747 1.00 . A A . 4 NLE HG3 1 1
1 24 1 1 2 NLE N N 0.946 -2.419 3.676 1.00 . A A . 4 NLE N 1 1
1 25 1 1 2 NLE O O 1.682 0.374 2.895 1.00 . A A . 4 NLE O 1 1
1 26 1 1 3 ASP C C 1.374 2.160 -0.245 1.00 . A A . 5 ASP C 1 1
1 27 1 1 3 ASP CA C 2.181 0.871 0.162 1.00 . A A . 5 ASP CA 1 1
1 28 1 1 3 ASP CB C 2.897 0.273 -1.075 1.00 . A A . 5 ASP CB 1 1
1 29 1 1 3 ASP CG C 4.015 -0.749 -0.794 1.00 . A A . 5 ASP CG 1 1
1 30 1 1 3 ASP H H 0.720 -0.791 0.154 1.00 . A A . 5 ASP H 1 1
1 31 1 1 3 ASP HA H 2.961 1.143 0.899 1.00 . A A . 5 ASP HA 1 1
1 32 1 1 3 ASP HB2 H 2.143 -0.123 -1.783 1.00 . A A . 5 ASP HB2 1 1
1 33 1 1 3 ASP HB3 H 3.383 1.097 -1.623 1.00 . A A . 5 ASP HB3 1 1
1 34 1 1 3 ASP N N 1.309 -0.185 0.744 1.00 . A A . 5 ASP N 1 1
1 35 1 1 3 ASP O O 0.319 2.009 -0.875 1.00 . A A . 5 ASP O 1 1
1 36 1 1 3 ASP OD1 O 4.865 -0.515 0.066 1.00 . A A . 5 ASP OD1 1 1
1 37 1 1 4 PRO C C 0.845 4.901 -1.856 1.00 . A A . 6 PRO C 1 1
1 38 1 1 4 PRO CA C 1.032 4.652 -0.311 1.00 . A A . 6 PRO CA 1 1
1 39 1 1 4 PRO CB C 1.802 5.771 0.420 1.00 . A A . 6 PRO CB 1 1
1 40 1 1 4 PRO CD C 3.007 3.727 0.850 1.00 . A A . 6 PRO CD 1 1
1 41 1 1 4 PRO CG C 3.214 5.223 0.623 1.00 . A A . 6 PRO CG 1 1
1 42 1 1 4 PRO HA H 0.044 4.571 0.171 1.00 . A A . 6 PRO HA 1 1
1 43 1 1 4 PRO HB2 H 1.798 6.736 -0.121 1.00 . A A . 6 PRO HB2 1 1
1 44 1 1 4 PRO HB3 H 1.332 5.967 1.404 1.00 . A A . 6 PRO HB3 1 1
1 45 1 1 4 PRO HD2 H 3.897 3.152 0.534 1.00 . A A . 6 PRO HD2 1 1
1 46 1 1 4 PRO HD3 H 2.816 3.507 1.922 1.00 . A A . 6 PRO HD3 1 1
1 47 1 1 4 PRO HG2 H 3.818 5.387 -0.292 1.00 . A A . 6 PRO HG2 1 1
1 48 1 1 4 PRO HG3 H 3.751 5.713 1.457 1.00 . A A . 6 PRO HG3 1 1
1 49 1 1 4 PRO N N 1.804 3.427 0.052 1.00 . A A . 6 PRO N 1 1
1 50 1 1 4 PRO O O 1.802 4.671 -2.605 1.00 . A A . 6 PRO O 1 1
1 51 1 1 5 PRO C C -2.539 4.864 -0.955 1.00 . A A . 7 PRO C 1 1
1 52 1 1 5 PRO CA C -1.495 5.862 -1.584 1.00 . A A . 7 PRO CA 1 1
1 53 1 1 5 PRO CB C -2.131 6.801 -2.635 1.00 . A A . 7 PRO CB 1 1
1 54 1 1 5 PRO CD C -0.511 5.508 -3.845 1.00 . A A . 7 PRO CD 1 1
1 55 1 1 5 PRO CG C -1.908 6.110 -3.981 1.00 . A A . 7 PRO CG 1 1
1 56 1 1 5 PRO HA H -1.129 6.488 -0.748 1.00 . A A . 7 PRO HA 1 1
1 57 1 1 5 PRO HB2 H -3.200 7.020 -2.447 1.00 . A A . 7 PRO HB2 1 1
1 58 1 1 5 PRO HB3 H -1.616 7.781 -2.625 1.00 . A A . 7 PRO HB3 1 1
1 59 1 1 5 PRO HD2 H -0.419 4.549 -4.392 1.00 . A A . 7 PRO HD2 1 1
1 60 1 1 5 PRO HD3 H 0.260 6.195 -4.247 1.00 . A A . 7 PRO HD3 1 1
1 61 1 1 5 PRO HG2 H -2.655 5.305 -4.131 1.00 . A A . 7 PRO HG2 1 1
1 62 1 1 5 PRO HG3 H -1.992 6.799 -4.841 1.00 . A A . 7 PRO HG3 1 1
1 63 1 1 5 PRO N N -0.342 5.330 -2.386 1.00 . A A . 7 PRO N 1 1
1 64 1 1 5 PRO O O -3.627 5.290 -0.562 1.00 . A A . 7 PRO O 1 1
1 65 1 1 6 . C C -3.301 1.324 -1.104 1.00 . A A . 8 4J2 C 1 1
1 66 1 1 6 . CA C -3.071 2.546 -0.158 1.00 . A A . 8 4J2 CA 1 1
1 67 1 1 6 . CB C -2.481 2.063 1.200 1.00 . A A . 8 4J2 CB 1 1
1 68 1 1 6 . CD1 C -0.590 3.040 2.562 1.00 . A A . 8 4J2 CD1 1 1
1 69 1 1 6 . CD2 C -2.764 4.056 2.735 1.00 . A A . 8 4J2 CD2 1 1
1 70 1 1 6 . CE1 C -0.058 3.957 3.455 1.00 . A A . 8 4J2 CE1 1 1
1 71 1 1 6 . CE2 C -2.263 5.003 3.629 1.00 . A A . 8 4J2 CE2 1 1
1 72 1 1 6 . CE3 C -3.073 6.001 4.173 1.00 . A A . 8 4J2 CE3 1 1
1 73 1 1 6 . CE4 C -2.534 6.930 5.060 1.00 . A A . 8 4J2 CE4 1 1
1 74 1 1 6 . CG C -1.930 3.088 2.196 1.00 . A A . 8 4J2 CG 1 1
1 75 1 1 6 . CZ1 C -0.873 4.949 3.996 1.00 . A A . 8 4J2 CZ1 1 1
1 76 1 1 6 . CZ2 C -0.360 5.887 4.886 1.00 . A A . 8 4J2 CZ2 1 1
1 77 1 1 6 . CZ3 C -1.187 6.874 5.414 1.00 . A A . 8 4J2 CZ3 1 1
1 78 1 1 6 . H H -1.225 3.353 -1.007 1.00 . A A . 8 4J2 H 1 1
1 79 1 1 6 . HA H -4.061 2.974 0.073 1.00 . A A . 8 4J2 HA 1 1
1 80 1 1 6 . HB1 H -1.701 1.305 1.019 1.00 . A A . 8 4J2 HB1 1 1
1 81 1 1 6 . HB2 H -3.273 1.498 1.709 1.00 . A A . 8 4J2 HB2 1 1
1 82 1 1 6 . HD1 H 0.036 2.278 2.138 1.00 . A A . 8 4J2 HD1 1 1
1 83 1 1 6 . HD2 H -3.789 4.023 2.411 1.00 . A A . 8 4J2 HD2 1 1
1 84 1 1 6 . HE1 H 0.990 3.884 3.716 1.00 . A A . 8 4J2 HE1 1 1
1 85 1 1 6 . HE3 H -4.120 6.068 3.913 1.00 . A A . 8 4J2 HE3 1 1
1 86 1 1 6 . HE4 H -3.166 7.702 5.478 1.00 . A A . 8 4J2 HE4 1 1
1 87 1 1 6 . HZ2 H 0.685 5.841 5.162 1.00 . A A . 8 4J2 HZ2 1 1
1 88 1 1 6 . HZ23 H -0.784 7.600 6.106 1.00 . A A . 8 4J2 HZ23 1 1
1 89 1 1 6 . N N -2.207 3.572 -0.809 1.00 . A A . 8 4J2 N 1 1
1 90 1 1 6 . O O -4.440 0.938 -1.377 1.00 . A A . 8 4J2 O 1 1
1 91 1 1 7 ARG C C -1.689 -1.708 -1.518 1.00 . A A . 9 ARG C 1 1
1 92 1 1 7 ARG CA C -2.192 -0.518 -2.392 1.00 . A A . 9 ARG CA 1 1
1 93 1 1 7 ARG CB C -1.242 -0.285 -3.594 1.00 . A A . 9 ARG CB 1 1
1 94 1 1 7 ARG CD C -0.507 1.232 -5.541 1.00 . A A . 9 ARG CD 1 1
1 95 1 1 7 ARG CG C -1.634 0.860 -4.565 1.00 . A A . 9 ARG CG 1 1
1 96 1 1 7 ARG CZ C -0.171 3.124 -7.146 1.00 . A A . 9 ARG CZ 1 1
1 97 1 1 7 ARG H H -1.323 1.175 -1.271 1.00 . A A . 9 ARG H 1 1
1 98 1 1 7 ARG HA H -3.209 -0.730 -2.782 1.00 . A A . 9 ARG HA 1 1
1 99 1 1 7 ARG HB2 H -0.223 -0.117 -3.198 1.00 . A A . 9 ARG HB2 1 1
1 100 1 1 7 ARG HB3 H -1.163 -1.224 -4.171 1.00 . A A . 9 ARG HB3 1 1
1 101 1 1 7 ARG HD2 H 0.407 1.495 -4.970 1.00 . A A . 9 ARG HD2 1 1
1 102 1 1 7 ARG HD3 H -0.248 0.370 -6.187 1.00 . A A . 9 ARG HD3 1 1
1 103 1 1 7 ARG HG2 H -2.551 0.591 -5.125 1.00 . A A . 9 ARG HG2 1 1
1 104 1 1 7 ARG HG3 H -1.907 1.769 -3.991 1.00 . A A . 9 ARG HG3 1 1
1 105 1 1 7 ARG HH11 H 1.485 2.156 -6.754 1.00 . A A . 9 ARG HH11 1 1
1 106 1 1 7 ARG HH12 H 1.610 3.578 -7.918 1.00 . A A . 9 ARG HH12 1 1
1 107 1 1 7 ARG HH21 H -1.737 4.143 -7.628 1.00 . A A . 9 ARG HH21 1 1
1 108 1 1 7 ARG HH22 H -0.142 4.663 -8.405 1.00 . A A . 9 ARG HH22 1 1
1 109 1 1 7 ARG N N -2.196 0.701 -1.552 1.00 . A A . 9 ARG N 1 1
1 110 1 1 7 ARG NE N -0.954 2.380 -6.370 1.00 . A A . 9 ARG NE 1 1
1 111 1 1 7 ARG NH1 N 1.116 2.941 -7.293 1.00 . A A . 9 ARG NH1 1 1
1 112 1 1 7 ARG NH2 N -0.730 4.093 -7.796 1.00 . A A . 9 ARG NH2 1 1
1 113 1 1 7 ARG O O -0.680 -1.612 -0.806 1.00 . A A . 9 ARG O 1 1
1 114 1 1 8 TRP C C -0.934 -4.882 -1.387 1.00 . A A . 10 TRP C 1 1
1 115 1 1 8 TRP CA C -2.065 -4.022 -0.735 1.00 . A A . 10 TRP CA 1 1
1 116 1 1 8 TRP CB C -3.372 -4.799 -0.461 1.00 . A A . 10 TRP CB 1 1
1 117 1 1 8 TRP CD1 C -2.963 -7.288 0.140 1.00 . A A . 10 TRP CD1 1 1
1 118 1 1 8 TRP CD2 C -3.073 -5.930 1.896 1.00 . A A . 10 TRP CD2 1 1
1 119 1 1 8 TRP CE2 C -2.752 -7.240 2.331 1.00 . A A . 10 TRP CE2 1 1
1 120 1 1 8 TRP CE3 C -3.136 -4.858 2.822 1.00 . A A . 10 TRP CE3 1 1
1 121 1 1 8 TRP CG C -3.203 -5.959 0.521 1.00 . A A . 10 TRP CG 1 1
1 122 1 1 8 TRP CH2 C -2.560 -6.422 4.599 1.00 . A A . 10 TRP CH2 1 1
1 123 1 1 8 TRP CZ2 C -2.489 -7.488 3.699 1.00 . A A . 10 TRP CZ2 1 1
1 124 1 1 8 TRP CZ3 C -2.879 -5.127 4.167 1.00 . A A . 10 TRP CZ3 1 1
1 125 1 1 8 TRP H H -2.962 -2.953 -2.417 1.00 . A A . 10 TRP H 1 1
1 126 1 1 8 TRP HA H -1.729 -3.649 0.256 1.00 . A A . 10 TRP HA 1 1
1 127 1 1 8 TRP HB2 H -4.134 -4.113 -0.053 1.00 . A A . 10 TRP HB2 1 1
1 128 1 1 8 TRP HB3 H -3.788 -5.175 -1.412 1.00 . A A . 10 TRP HB3 1 1
1 129 1 1 8 TRP HD1 H -2.908 -7.585 -0.899 1.00 . A A . 10 TRP HD1 1 1
1 130 1 1 8 TRP HE1 H -2.438 -9.106 1.262 1.00 . A A . 10 TRP HE1 1 1
1 131 1 1 8 TRP HE3 H -3.371 -3.855 2.493 1.00 . A A . 10 TRP HE3 1 1
1 132 1 1 8 TRP HH2 H -2.361 -6.598 5.647 1.00 . A A . 10 TRP HH2 1 1
1 133 1 1 8 TRP HZ2 H -2.230 -8.479 4.038 1.00 . A A . 10 TRP HZ2 1 1
1 134 1 1 8 TRP HZ3 H -2.922 -4.322 4.887 1.00 . A A . 10 TRP HZ3 1 1
1 135 1 1 8 TRP N N -2.393 -2.847 -1.575 1.00 . A A . 10 TRP N 1 1
1 136 1 1 8 TRP NE1 N -2.685 -8.110 1.251 1.00 . A A . 10 TRP NE1 1 1
1 137 1 1 8 TRP O O -1.010 -5.307 -2.543 1.00 . A A . 10 TRP O 1 1
1 138 1 1 9 LYS C C 1.527 -7.236 -0.681 1.00 . A A . 11 LYS C 1 1
1 139 1 1 9 LYS CA C 1.381 -5.724 -1.052 1.00 . A A . 11 LYS CA 1 1
1 140 1 1 9 LYS CB C 2.494 -4.791 -0.501 1.00 . A A . 11 LYS CB 1 1
1 141 1 1 9 LYS CD C 4.969 -4.035 -0.640 1.00 . A A . 11 LYS CD 1 1
1 142 1 1 9 LYS CE C 5.159 -2.809 -1.563 1.00 . A A . 11 LYS CE 1 1
1 143 1 1 9 LYS CG C 3.900 -5.071 -1.062 1.00 . A A . 11 LYS CG 1 1
1 144 1 1 9 LYS H H 0.022 -4.647 0.313 1.00 . A A . 11 LYS H 1 1
1 145 1 1 9 LYS HA H 1.436 -5.677 -2.160 1.00 . A A . 11 LYS HA 1 1
1 146 1 1 9 LYS HB2 H 2.240 -3.736 -0.726 1.00 . A A . 11 LYS HB2 1 1
1 147 1 1 9 LYS HB3 H 2.526 -4.854 0.603 1.00 . A A . 11 LYS HB3 1 1
1 148 1 1 9 LYS HD2 H 4.813 -3.702 0.403 1.00 . A A . 11 LYS HD2 1 1
1 149 1 1 9 LYS HD3 H 5.943 -4.561 -0.609 1.00 . A A . 11 LYS HD3 1 1
1 150 1 1 9 LYS HE2 H 6.105 -2.298 -1.291 1.00 . A A . 11 LYS HE2 1 1
1 151 1 1 9 LYS HE3 H 5.332 -3.155 -2.600 1.00 . A A . 11 LYS HE3 1 1
1 152 1 1 9 LYS HG2 H 4.206 -6.073 -0.710 1.00 . A A . 11 LYS HG2 1 1
1 153 1 1 9 LYS HG3 H 3.853 -5.154 -2.163 1.00 . A A . 11 LYS HG3 1 1
1 154 1 1 9 LYS HZ1 H 3.254 -1.906 -2.227 1.00 . A A . 11 LYS HZ1 1 1
1 155 1 1 9 LYS N N 0.110 -5.112 -0.590 1.00 . A A . 11 LYS N 1 1
1 156 1 1 9 LYS NZ N 4.032 -1.843 -1.565 1.00 . A A . 11 LYS NZ 1 1
1 157 1 1 9 LYS O O 1.824 -8.070 -1.533 1.00 . A A . 11 LYS O 1 1
1 158 1 1 10 NH2 HN1 H 0.994 -7.010 1.240 1.00 . A A . 12 NH2 HN1 1 1
1 159 1 1 10 NH2 HN2 H 1.439 -8.693 0.642 1.00 . A A . 12 NH2 HN2 1 1
1 160 1 1 10 NH2 N N 1.363 -7.675 0.556 1.00 . A A . 12 NH2 N 1 1
2 161 1 1 1 ACE C C 2.189 -2.941 3.895 1.00 . A A . 3 ACE C 1 1
2 162 1 1 1 ACE CH3 C 2.519 -3.572 5.234 1.00 . A A . 3 ACE CH3 1 1
2 163 1 1 1 ACE H1 H 1.778 -4.344 5.511 1.00 . A A . 3 ACE H1 1 1
2 164 1 1 1 ACE H2 H 3.508 -4.065 5.195 1.00 . A A . 3 ACE H2 1 1
2 165 1 1 1 ACE H3 H 2.558 -2.816 6.038 1.00 . A A . 3 ACE H3 1 1
2 166 1 1 1 ACE O O 2.975 -3.014 2.955 1.00 . A A . 3 ACE O 1 1
2 167 1 1 2 NLE C C 1.251 -0.415 2.106 1.00 . A A . 4 NLE C 1 1
2 168 1 1 2 NLE CA C 0.479 -1.688 2.599 1.00 . A A . 4 NLE CA 1 1
2 169 1 1 2 NLE CB C -1.046 -1.465 2.798 1.00 . A A . 4 NLE CB 1 1
2 170 1 1 2 NLE CD C -3.025 -0.406 4.058 1.00 . A A . 4 NLE CD 1 1
2 171 1 1 2 NLE CE C -3.439 0.712 5.024 1.00 . A A . 4 NLE CE 1 1
2 172 1 1 2 NLE CG C -1.499 -0.446 3.871 1.00 . A A . 4 NLE CG 1 1
2 173 1 1 2 NLE H H 0.478 -2.325 4.707 1.00 . A A . 4 NLE H 1 1
2 174 1 1 2 NLE HA H 0.568 -2.449 1.795 1.00 . A A . 4 NLE HA 1 1
2 175 1 1 2 NLE HB2 H -1.509 -2.444 3.005 1.00 . A A . 4 NLE HB2 1 1
2 176 1 1 2 NLE HB3 H -1.484 -1.163 1.830 1.00 . A A . 4 NLE HB3 1 1
2 177 1 1 2 NLE HD2 H -3.388 -1.381 4.437 1.00 . A A . 4 NLE HD2 1 1
2 178 1 1 2 NLE HD3 H -3.531 -0.259 3.086 1.00 . A A . 4 NLE HD3 1 1
2 179 1 1 2 NLE HE1 H -2.998 0.572 6.028 1.00 . A A . 4 NLE HE1 1 1
2 180 1 1 2 NLE HE2 H -3.117 1.707 4.662 1.00 . A A . 4 NLE HE2 1 1
2 181 1 1 2 NLE HE3 H -4.536 0.752 5.149 1.00 . A A . 4 NLE HE3 1 1
2 182 1 1 2 NLE HG2 H -1.126 0.554 3.599 1.00 . A A . 4 NLE HG2 1 1
2 183 1 1 2 NLE HG3 H -1.025 -0.655 4.845 1.00 . A A . 4 NLE HG3 1 1
2 184 1 1 2 NLE N N 1.009 -2.326 3.834 1.00 . A A . 4 NLE N 1 1
2 185 1 1 2 NLE O O 1.757 0.389 2.896 1.00 . A A . 4 NLE O 1 1
2 186 1 1 3 ASP C C 1.379 2.067 -0.289 1.00 . A A . 5 ASP C 1 1
2 187 1 1 3 ASP CA C 2.190 0.784 0.132 1.00 . A A . 5 ASP CA 1 1
2 188 1 1 3 ASP CB C 2.878 0.146 -1.103 1.00 . A A . 5 ASP CB 1 1
2 189 1 1 3 ASP CG C 4.095 -0.734 -0.792 1.00 . A A . 5 ASP CG 1 1
2 190 1 1 3 ASP H H 0.696 -0.846 0.229 1.00 . A A . 5 ASP H 1 1
2 191 1 1 3 ASP HA H 2.992 1.073 0.839 1.00 . A A . 5 ASP HA 1 1
2 192 1 1 3 ASP HB2 H 2.137 -0.371 -1.741 1.00 . A A . 5 ASP HB2 1 1
2 193 1 1 3 ASP HB3 H 3.264 0.959 -1.742 1.00 . A A . 5 ASP HB3 1 1
2 194 1 1 3 ASP N N 1.340 -0.254 0.777 1.00 . A A . 5 ASP N 1 1
2 195 1 1 3 ASP O O 0.334 1.914 -0.938 1.00 . A A . 5 ASP O 1 1
2 196 1 1 3 ASP OD1 O 5.142 -0.205 -0.416 1.00 . A A . 5 ASP OD1 1 1
2 197 1 1 4 PRO C C 0.854 4.901 -1.822 1.00 . A A . 6 PRO C 1 1
2 198 1 1 4 PRO CA C 1.006 4.557 -0.294 1.00 . A A . 6 PRO CA 1 1
2 199 1 1 4 PRO CB C 1.721 5.653 0.520 1.00 . A A . 6 PRO CB 1 1
2 200 1 1 4 PRO CD C 2.984 3.629 0.854 1.00 . A A . 6 PRO CD 1 1
2 201 1 1 4 PRO CG C 3.149 5.141 0.716 1.00 . A A . 6 PRO CG 1 1
2 202 1 1 4 PRO HA H 0.005 4.421 0.148 1.00 . A A . 6 PRO HA 1 1
2 203 1 1 4 PRO HB2 H 1.695 6.650 0.041 1.00 . A A . 6 PRO HB2 1 1
2 204 1 1 4 PRO HB3 H 1.228 5.772 1.505 1.00 . A A . 6 PRO HB3 1 1
2 205 1 1 4 PRO HD2 H 3.892 3.099 0.512 1.00 . A A . 6 PRO HD2 1 1
2 206 1 1 4 PRO HD3 H 2.791 3.340 1.907 1.00 . A A . 6 PRO HD3 1 1
2 207 1 1 4 PRO HG2 H 3.762 5.376 -0.177 1.00 . A A . 6 PRO HG2 1 1
2 208 1 1 4 PRO HG3 H 3.654 5.597 1.588 1.00 . A A . 6 PRO HG3 1 1
2 209 1 1 4 PRO N N 1.799 3.335 0.026 1.00 . A A . 6 PRO N 1 1
2 210 1 1 4 PRO O O 1.815 4.692 -2.571 1.00 . A A . 6 PRO O 1 1
2 211 1 1 5 PRO C C -2.543 4.838 -1.011 1.00 . A A . 7 PRO C 1 1
2 212 1 1 5 PRO CA C -1.474 5.878 -1.519 1.00 . A A . 7 PRO CA 1 1
2 213 1 1 5 PRO CB C -2.072 6.928 -2.482 1.00 . A A . 7 PRO CB 1 1
2 214 1 1 5 PRO CD C -0.429 5.748 -3.773 1.00 . A A . 7 PRO CD 1 1
2 215 1 1 5 PRO CG C -1.815 6.378 -3.887 1.00 . A A . 7 PRO CG 1 1
2 216 1 1 5 PRO HA H -1.121 6.416 -0.618 1.00 . A A . 7 PRO HA 1 1
2 217 1 1 5 PRO HB2 H -3.145 7.138 -2.303 1.00 . A A . 7 PRO HB2 1 1
2 218 1 1 5 PRO HB3 H -1.550 7.897 -2.358 1.00 . A A . 7 PRO HB3 1 1
2 219 1 1 5 PRO HD2 H -0.322 4.856 -4.421 1.00 . A A . 7 PRO HD2 1 1
2 220 1 1 5 PRO HD3 H 0.361 6.469 -4.068 1.00 . A A . 7 PRO HD3 1 1
2 221 1 1 5 PRO HG2 H -2.568 5.605 -4.140 1.00 . A A . 7 PRO HG2 1 1
2 222 1 1 5 PRO HG3 H -1.868 7.155 -4.672 1.00 . A A . 7 PRO HG3 1 1
2 223 1 1 5 PRO N N -0.310 5.408 -2.339 1.00 . A A . 7 PRO N 1 1
2 224 1 1 5 PRO O O -3.633 5.245 -0.604 1.00 . A A . 7 PRO O 1 1
2 225 1 1 6 . C C -3.374 1.293 -1.327 1.00 . A A . 8 4J2 C 1 1
2 226 1 1 6 . CA C -3.094 2.485 -0.357 1.00 . A A . 8 4J2 CA 1 1
2 227 1 1 6 . CB C -2.487 1.939 0.970 1.00 . A A . 8 4J2 CB 1 1
2 228 1 1 6 . CD1 C -0.663 2.892 2.439 1.00 . A A . 8 4J2 CD1 1 1
2 229 1 1 6 . CD2 C -2.855 3.870 2.573 1.00 . A A . 8 4J2 CD2 1 1
2 230 1 1 6 . CE1 C -0.167 3.800 3.361 1.00 . A A . 8 4J2 CE1 1 1
2 231 1 1 6 . CE2 C -2.391 4.812 3.493 1.00 . A A . 8 4J2 CE2 1 1
2 232 1 1 6 . CE3 C -3.227 5.793 4.027 1.00 . A A . 8 4J2 CE3 1 1
2 233 1 1 6 . CE4 C -2.721 6.725 4.931 1.00 . A A . 8 4J2 CE4 1 1
2 234 1 1 6 . CG C -1.991 2.929 2.031 1.00 . A A . 8 4J2 CG 1 1
2 235 1 1 6 . CZ1 C -1.007 4.776 3.890 1.00 . A A . 8 4J2 CZ1 1 1
2 236 1 1 6 . CZ2 C -0.526 5.721 4.791 1.00 . A A . 8 4J2 CZ2 1 1
2 237 1 1 6 . CZ3 C -1.381 6.691 5.309 1.00 . A A . 8 4J2 CZ3 1 1
2 238 1 1 6 . H H -1.243 3.323 -1.155 1.00 . A A . 8 4J2 H 1 1
2 239 1 1 6 . HA H -4.075 2.911 -0.088 1.00 . A A . 8 4J2 HA 1 1
2 240 1 1 6 . HB1 H -1.674 1.232 0.738 1.00 . A A . 8 4J2 HB1 1 1
2 241 1 1 6 . HB2 H -3.253 1.307 1.441 1.00 . A A . 8 4J2 HB2 1 1
2 242 1 1 6 . HD1 H -0.016 2.147 2.019 1.00 . A A . 8 4J2 HD1 1 1
2 243 1 1 6 . HD2 H -3.870 3.832 2.220 1.00 . A A . 8 4J2 HD2 1 1
2 244 1 1 6 . HE1 H 0.875 3.738 3.644 1.00 . A A . 8 4J2 HE1 1 1
2 245 1 1 6 . HE3 H -4.270 5.846 3.744 1.00 . A A . 8 4J2 HE3 1 1
2 246 1 1 6 . HE4 H -3.374 7.484 5.338 1.00 . A A . 8 4J2 HE4 1 1
2 247 1 1 6 . HZ2 H 0.517 5.700 5.078 1.00 . A A . 8 4J2 HZ2 1 1
2 248 1 1 6 . HZ23 H -1.002 7.422 6.007 1.00 . A A . 8 4J2 HZ23 1 1
2 249 1 1 6 . N N -2.228 3.532 -0.969 1.00 . A A . 8 4J2 N 1 1
2 250 1 1 6 . O O -4.520 0.864 -1.468 1.00 . A A . 8 4J2 O 1 1
2 251 1 1 7 ARG C C -1.800 -1.683 -1.393 1.00 . A A . 9 ARG C 1 1
2 252 1 1 7 ARG CA C -2.334 -0.675 -2.453 1.00 . A A . 9 ARG CA 1 1
2 253 1 1 7 ARG CB C -1.474 -0.730 -3.746 1.00 . A A . 9 ARG CB 1 1
2 254 1 1 7 ARG CD C -2.882 -1.418 -5.846 1.00 . A A . 9 ARG CD 1 1
2 255 1 1 7 ARG CG C -2.213 -0.283 -5.036 1.00 . A A . 9 ARG CG 1 1
2 256 1 1 7 ARG CZ C -4.005 -3.301 -4.606 1.00 . A A . 9 ARG CZ 1 1
2 257 1 1 7 ARG H H -1.425 1.149 -1.607 1.00 . A A . 9 ARG H 1 1
2 258 1 1 7 ARG HA H -3.376 -0.956 -2.713 1.00 . A A . 9 ARG HA 1 1
2 259 1 1 7 ARG HB2 H -0.553 -0.138 -3.600 1.00 . A A . 9 ARG HB2 1 1
2 260 1 1 7 ARG HB3 H -1.092 -1.755 -3.904 1.00 . A A . 9 ARG HB3 1 1
2 261 1 1 7 ARG HD2 H -3.293 -0.986 -6.779 1.00 . A A . 9 ARG HD2 1 1
2 262 1 1 7 ARG HD3 H -2.122 -2.139 -6.203 1.00 . A A . 9 ARG HD3 1 1
2 263 1 1 7 ARG HG2 H -2.957 0.505 -4.805 1.00 . A A . 9 ARG HG2 1 1
2 264 1 1 7 ARG HG3 H -1.483 0.219 -5.700 1.00 . A A . 9 ARG HG3 1 1
2 265 1 1 7 ARG HH11 H -2.166 -3.748 -5.119 1.00 . A A . 9 ARG HH11 1 1
2 266 1 1 7 ARG HH12 H -3.108 -5.043 -4.217 1.00 . A A . 9 ARG HH12 1 1
2 267 1 1 7 ARG HH21 H -5.829 -2.996 -4.065 1.00 . A A . 9 ARG HH21 1 1
2 268 1 1 7 ARG HH22 H -5.116 -4.649 -3.651 1.00 . A A . 9 ARG HH22 1 1
2 269 1 1 7 ARG N N -2.307 0.705 -1.904 1.00 . A A . 9 ARG N 1 1
2 270 1 1 7 ARG NE N -4.010 -2.074 -5.128 1.00 . A A . 9 ARG NE 1 1
2 271 1 1 7 ARG NH1 N -2.985 -4.119 -4.636 1.00 . A A . 9 ARG NH1 1 1
2 272 1 1 7 ARG NH2 N -5.087 -3.697 -4.018 1.00 . A A . 9 ARG NH2 1 1
2 273 1 1 7 ARG O O -0.854 -1.412 -0.642 1.00 . A A . 9 ARG O 1 1
2 274 1 1 8 TRP C C -0.684 -4.693 -1.036 1.00 . A A . 10 TRP C 1 1
2 275 1 1 8 TRP CA C -1.949 -3.971 -0.467 1.00 . A A . 10 TRP CA 1 1
2 276 1 1 8 TRP CB C -3.167 -4.898 -0.222 1.00 . A A . 10 TRP CB 1 1
2 277 1 1 8 TRP CD1 C -2.511 -7.348 0.321 1.00 . A A . 10 TRP CD1 1 1
2 278 1 1 8 TRP CD2 C -2.696 -6.032 2.105 1.00 . A A . 10 TRP CD2 1 1
2 279 1 1 8 TRP CE2 C -2.192 -7.298 2.497 1.00 . A A . 10 TRP CE2 1 1
2 280 1 1 8 TRP CE3 C -2.828 -4.984 3.051 1.00 . A A . 10 TRP CE3 1 1
2 281 1 1 8 TRP CG C -2.883 -6.058 0.737 1.00 . A A . 10 TRP CG 1 1
2 282 1 1 8 TRP CH2 C -1.937 -6.476 4.758 1.00 . A A . 10 TRP CH2 1 1
2 283 1 1 8 TRP CZ2 C -1.799 -7.518 3.837 1.00 . A A . 10 TRP CZ2 1 1
2 284 1 1 8 TRP CZ3 C -2.445 -5.230 4.371 1.00 . A A . 10 TRP CZ3 1 1
2 285 1 1 8 TRP H H -2.885 -3.110 -2.238 1.00 . A A . 10 TRP H 1 1
2 286 1 1 8 TRP HA H -1.703 -3.518 0.517 1.00 . A A . 10 TRP HA 1 1
2 287 1 1 8 TRP HB2 H -4.008 -4.312 0.185 1.00 . A A . 10 TRP HB2 1 1
2 288 1 1 8 TRP HB3 H -3.532 -5.302 -1.183 1.00 . A A . 10 TRP HB3 1 1
2 289 1 1 8 TRP HD1 H -2.449 -7.622 -0.723 1.00 . A A . 10 TRP HD1 1 1
2 290 1 1 8 TRP HE1 H -1.676 -9.084 1.383 1.00 . A A . 10 TRP HE1 1 1
2 291 1 1 8 TRP HE3 H -3.210 -4.016 2.757 1.00 . A A . 10 TRP HE3 1 1
2 292 1 1 8 TRP HH2 H -1.640 -6.633 5.785 1.00 . A A . 10 TRP HH2 1 1
2 293 1 1 8 TRP HZ2 H -1.384 -8.470 4.134 1.00 . A A . 10 TRP HZ2 1 1
2 294 1 1 8 TRP HZ3 H -2.538 -4.442 5.105 1.00 . A A . 10 TRP HZ3 1 1
2 295 1 1 8 TRP N N -2.391 -2.886 -1.370 1.00 . A A . 10 TRP N 1 1
2 296 1 1 8 TRP NE1 N -2.082 -8.142 1.403 1.00 . A A . 10 TRP NE1 1 1
2 297 1 1 8 TRP O O -0.599 -5.058 -2.214 1.00 . A A . 10 TRP O 1 1
2 298 1 1 9 LYS C C 1.442 -7.120 -0.301 1.00 . A A . 11 LYS C 1 1
2 299 1 1 9 LYS CA C 1.568 -5.573 -0.464 1.00 . A A . 11 LYS CA 1 1
2 300 1 1 9 LYS CB C 2.584 -4.898 0.494 1.00 . A A . 11 LYS CB 1 1
2 301 1 1 9 LYS CD C 4.717 -4.468 -0.971 1.00 . A A . 11 LYS CD 1 1
2 302 1 1 9 LYS CE C 5.088 -2.985 -0.742 1.00 . A A . 11 LYS CE 1 1
2 303 1 1 9 LYS CG C 4.069 -5.202 0.229 1.00 . A A . 11 LYS CG 1 1
2 304 1 1 9 LYS H H -0.006 -4.792 0.828 1.00 . A A . 11 LYS H 1 1
2 305 1 1 9 LYS HA H 1.868 -5.342 -1.508 1.00 . A A . 11 LYS HA 1 1
2 306 1 1 9 LYS HB2 H 2.459 -3.797 0.508 1.00 . A A . 11 LYS HB2 1 1
2 307 1 1 9 LYS HB3 H 2.356 -5.204 1.534 1.00 . A A . 11 LYS HB3 1 1
2 308 1 1 9 LYS HD2 H 5.659 -5.001 -1.199 1.00 . A A . 11 LYS HD2 1 1
2 309 1 1 9 LYS HD3 H 4.114 -4.588 -1.890 1.00 . A A . 11 LYS HD3 1 1
2 310 1 1 9 LYS HE2 H 5.505 -2.846 0.277 1.00 . A A . 11 LYS HE2 1 1
2 311 1 1 9 LYS HE3 H 5.917 -2.715 -1.427 1.00 . A A . 11 LYS HE3 1 1
2 312 1 1 9 LYS HG2 H 4.625 -4.963 1.153 1.00 . A A . 11 LYS HG2 1 1
2 313 1 1 9 LYS HG3 H 4.188 -6.296 0.111 1.00 . A A . 11 LYS HG3 1 1
2 314 1 1 9 LYS HZ1 H 3.022 -2.353 -1.240 1.00 . A A . 11 LYS HZ1 1 1
2 315 1 1 9 LYS N N 0.283 -4.916 -0.142 1.00 . A A . 11 LYS N 1 1
2 316 1 1 9 LYS NZ N 3.963 -2.052 -0.972 1.00 . A A . 11 LYS NZ 1 1
2 317 1 1 9 LYS O O 1.763 -7.725 0.720 1.00 . A A . 11 LYS O 1 1
2 318 1 1 10 NH2 HN1 H 0.657 -8.755 -0.952 1.00 . A A . 12 NH2 HN1 1 1
2 319 1 1 10 NH2 HN2 H 0.462 -7.274 -2.018 1.00 . A A . 12 NH2 HN2 1 1
2 320 1 1 10 NH2 N N 0.916 -7.824 -1.280 1.00 . A A . 12 NH2 N 1 1
3 321 1 1 1 ACE C C 1.725 -3.735 2.684 1.00 . A A . 3 ACE C 1 1
3 322 1 1 1 ACE CH3 C 2.740 -4.653 3.336 1.00 . A A . 3 ACE CH3 1 1
3 323 1 1 1 ACE H1 H 2.833 -5.592 2.761 1.00 . A A . 3 ACE H1 1 1
3 324 1 1 1 ACE H2 H 3.742 -4.188 3.374 1.00 . A A . 3 ACE H2 1 1
3 325 1 1 1 ACE H3 H 2.436 -4.922 4.363 1.00 . A A . 3 ACE H3 1 1
3 326 1 1 1 ACE O O 1.093 -4.104 1.697 1.00 . A A . 3 ACE O 1 1
3 327 1 1 2 NLE C C 1.371 -0.201 2.377 1.00 . A A . 4 NLE C 1 1
3 328 1 1 2 NLE CA C 0.620 -1.516 2.741 1.00 . A A . 4 NLE CA 1 1
3 329 1 1 2 NLE CB C -0.481 -1.302 3.799 1.00 . A A . 4 NLE CB 1 1
3 330 1 1 2 NLE CD C -2.861 -0.460 4.349 1.00 . A A . 4 NLE CD 1 1
3 331 1 1 2 NLE CE C -2.576 0.570 5.455 1.00 . A A . 4 NLE CE 1 1
3 332 1 1 2 NLE CG C -1.741 -0.566 3.299 1.00 . A A . 4 NLE CG 1 1
3 333 1 1 2 NLE H H 2.148 -2.383 4.086 1.00 . A A . 4 NLE H 1 1
3 334 1 1 2 NLE HA H 0.107 -1.908 1.840 1.00 . A A . 4 NLE HA 1 1
3 335 1 1 2 NLE HB2 H -0.046 -0.764 4.658 1.00 . A A . 4 NLE HB2 1 1
3 336 1 1 2 NLE HB3 H -0.796 -2.284 4.179 1.00 . A A . 4 NLE HB3 1 1
3 337 1 1 2 NLE HD2 H -3.062 -1.453 4.795 1.00 . A A . 4 NLE HD2 1 1
3 338 1 1 2 NLE HD3 H -3.799 -0.175 3.839 1.00 . A A . 4 NLE HD3 1 1
3 339 1 1 2 NLE HE1 H -1.681 0.305 6.047 1.00 . A A . 4 NLE HE1 1 1
3 340 1 1 2 NLE HE2 H -2.410 1.583 5.039 1.00 . A A . 4 NLE HE2 1 1
3 341 1 1 2 NLE HE3 H -3.422 0.643 6.163 1.00 . A A . 4 NLE HE3 1 1
3 342 1 1 2 NLE HG2 H -2.144 -1.073 2.400 1.00 . A A . 4 NLE HG2 1 1
3 343 1 1 2 NLE HG3 H -1.466 0.441 2.952 1.00 . A A . 4 NLE HG3 1 1
3 344 1 1 2 NLE N N 1.574 -2.539 3.253 1.00 . A A . 4 NLE N 1 1
3 345 1 1 2 NLE O O 1.971 0.462 3.230 1.00 . A A . 4 NLE O 1 1
3 346 1 1 3 ASP C C 1.308 2.463 0.003 1.00 . A A . 5 ASP C 1 1
3 347 1 1 3 ASP CA C 2.164 1.248 0.518 1.00 . A A . 5 ASP CA 1 1
3 348 1 1 3 ASP CB C 2.996 0.690 -0.662 1.00 . A A . 5 ASP CB 1 1
3 349 1 1 3 ASP CG C 4.033 -0.397 -0.346 1.00 . A A . 5 ASP CG 1 1
3 350 1 1 3 ASP H H 0.743 -0.479 0.533 1.00 . A A . 5 ASP H 1 1
3 351 1 1 3 ASP HA H 2.897 1.596 1.271 1.00 . A A . 5 ASP HA 1 1
3 352 1 1 3 ASP HB2 H 2.302 0.360 -1.454 1.00 . A A . 5 ASP HB2 1 1
3 353 1 1 3 ASP HB3 H 3.553 1.525 -1.116 1.00 . A A . 5 ASP HB3 1 1
3 354 1 1 3 ASP N N 1.321 0.160 1.093 1.00 . A A . 5 ASP N 1 1
3 355 1 1 3 ASP O O 0.363 2.223 -0.762 1.00 . A A . 5 ASP O 1 1
3 356 1 1 3 ASP OD1 O 4.780 -0.297 0.628 1.00 . A A . 5 ASP OD1 1 1
3 357 1 1 4 PRO C C 0.804 5.030 -1.836 1.00 . A A . 6 PRO C 1 1
3 358 1 1 4 PRO CA C 0.894 4.932 -0.266 1.00 . A A . 6 PRO CA 1 1
3 359 1 1 4 PRO CB C 1.671 6.127 0.322 1.00 . A A . 6 PRO CB 1 1
3 360 1 1 4 PRO CD C 2.576 4.148 1.367 1.00 . A A . 6 PRO CD 1 1
3 361 1 1 4 PRO CG C 2.263 5.621 1.635 1.00 . A A . 6 PRO CG 1 1
3 362 1 1 4 PRO HA H -0.120 4.910 0.173 1.00 . A A . 6 PRO HA 1 1
3 363 1 1 4 PRO HB2 H 2.497 6.436 -0.351 1.00 . A A . 6 PRO HB2 1 1
3 364 1 1 4 PRO HB3 H 1.029 7.017 0.465 1.00 . A A . 6 PRO HB3 1 1
3 365 1 1 4 PRO HD2 H 3.613 4.016 1.004 1.00 . A A . 6 PRO HD2 1 1
3 366 1 1 4 PRO HD3 H 2.457 3.553 2.295 1.00 . A A . 6 PRO HD3 1 1
3 367 1 1 4 PRO HG2 H 3.156 6.193 1.949 1.00 . A A . 6 PRO HG2 1 1
3 368 1 1 4 PRO HG3 H 1.519 5.718 2.447 1.00 . A A . 6 PRO HG3 1 1
3 369 1 1 4 PRO N N 1.612 3.762 0.317 1.00 . A A . 6 PRO N 1 1
3 370 1 1 4 PRO O O 1.811 4.733 -2.492 1.00 . A A . 6 PRO O 1 1
3 371 1 1 5 PRO C C -2.611 4.893 -1.234 1.00 . A A . 7 PRO C 1 1
3 372 1 1 5 PRO CA C -1.573 5.927 -1.808 1.00 . A A . 7 PRO CA 1 1
3 373 1 1 5 PRO CB C -2.159 6.797 -2.943 1.00 . A A . 7 PRO CB 1 1
3 374 1 1 5 PRO CD C -0.377 5.549 -3.957 1.00 . A A . 7 PRO CD 1 1
3 375 1 1 5 PRO CG C -1.782 6.077 -4.239 1.00 . A A . 7 PRO CG 1 1
3 376 1 1 5 PRO HA H -1.312 6.602 -0.969 1.00 . A A . 7 PRO HA 1 1
3 377 1 1 5 PRO HB2 H -3.251 6.964 -2.856 1.00 . A A . 7 PRO HB2 1 1
3 378 1 1 5 PRO HB3 H -1.698 7.804 -2.924 1.00 . A A . 7 PRO HB3 1 1
3 379 1 1 5 PRO HD2 H -0.188 4.581 -4.462 1.00 . A A . 7 PRO HD2 1 1
3 380 1 1 5 PRO HD3 H 0.395 6.262 -4.308 1.00 . A A . 7 PRO HD3 1 1
3 381 1 1 5 PRO HG2 H -2.477 5.236 -4.427 1.00 . A A . 7 PRO HG2 1 1
3 382 1 1 5 PRO HG3 H -1.820 6.737 -5.126 1.00 . A A . 7 PRO HG3 1 1
3 383 1 1 5 PRO N N -0.335 5.423 -2.485 1.00 . A A . 7 PRO N 1 1
3 384 1 1 5 PRO O O -3.749 5.273 -0.945 1.00 . A A . 7 PRO O 1 1
3 385 1 1 6 . C C -3.261 1.317 -1.257 1.00 . A A . 8 4J2 C 1 1
3 386 1 1 6 . CA C -3.077 2.588 -0.369 1.00 . A A . 8 4J2 CA 1 1
3 387 1 1 6 . CB C -2.502 2.175 1.018 1.00 . A A . 8 4J2 CB 1 1
3 388 1 1 6 . CD1 C -0.900 3.160 2.710 1.00 . A A . 8 4J2 CD1 1 1
3 389 1 1 6 . CD2 C -2.975 4.310 2.314 1.00 . A A . 8 4J2 CD2 1 1
3 390 1 1 6 . CE1 C -0.495 4.139 3.606 1.00 . A A . 8 4J2 CE1 1 1
3 391 1 1 6 . CE2 C -2.590 5.331 3.185 1.00 . A A . 8 4J2 CE2 1 1
3 392 1 1 6 . CE3 C -3.399 6.443 3.414 1.00 . A A . 8 4J2 CE3 1 1
3 393 1 1 6 . CE4 C -2.966 7.460 4.261 1.00 . A A . 8 4J2 CE4 1 1
3 394 1 1 6 . CG C -2.123 3.245 2.052 1.00 . A A . 8 4J2 CG 1 1
3 395 1 1 6 . CZ1 C -1.311 5.245 3.839 1.00 . A A . 8 4J2 CZ1 1 1
3 396 1 1 6 . CZ2 C -0.896 6.281 4.674 1.00 . A A . 8 4J2 CZ2 1 1
3 397 1 1 6 . CZ3 C -1.724 7.381 4.884 1.00 . A A . 8 4J2 CZ3 1 1
3 398 1 1 6 . H H -1.220 3.451 -1.135 1.00 . A A . 8 4J2 H 1 1
3 399 1 1 6 . HA H -4.085 2.987 -0.167 1.00 . A A . 8 4J2 HA 1 1
3 400 1 1 6 . HB1 H -1.625 1.530 0.846 1.00 . A A . 8 4J2 HB1 1 1
3 401 1 1 6 . HB2 H -3.236 1.509 1.495 1.00 . A A . 8 4J2 HB2 1 1
3 402 1 1 6 . HD1 H -0.247 2.333 2.488 1.00 . A A . 8 4J2 HD1 1 1
3 403 1 1 6 . HD2 H -3.905 4.321 1.771 1.00 . A A . 8 4J2 HD2 1 1
3 404 1 1 6 . HE1 H 0.469 4.041 4.086 1.00 . A A . 8 4J2 HE1 1 1
3 405 1 1 6 . HE3 H -4.363 6.536 2.932 1.00 . A A . 8 4J2 HE3 1 1
3 406 1 1 6 . HE4 H -3.597 8.321 4.430 1.00 . A A . 8 4J2 HE4 1 1
3 407 1 1 6 . HZ2 H 0.077 6.246 5.146 1.00 . A A . 8 4J2 HZ2 1 1
3 408 1 1 6 . HZ23 H -1.395 8.183 5.531 1.00 . A A . 8 4J2 HZ23 1 1
3 409 1 1 6 . N N -2.225 3.625 -1.014 1.00 . A A . 8 4J2 N 1 1
3 410 1 1 6 . O O -4.377 0.813 -1.390 1.00 . A A . 8 4J2 O 1 1
3 411 1 1 7 ARG C C -1.709 -1.663 -1.185 1.00 . A A . 9 ARG C 1 1
3 412 1 1 7 ARG CA C -2.110 -0.637 -2.294 1.00 . A A . 9 ARG CA 1 1
3 413 1 1 7 ARG CB C -1.160 -0.703 -3.520 1.00 . A A . 9 ARG CB 1 1
3 414 1 1 7 ARG CD C 1.226 -0.749 -4.505 1.00 . A A . 9 ARG CD 1 1
3 415 1 1 7 ARG CG C 0.353 -0.459 -3.276 1.00 . A A . 9 ARG CG 1 1
3 416 1 1 7 ARG CZ C 3.687 -0.730 -4.967 1.00 . A A . 9 ARG CZ 1 1
3 417 1 1 7 ARG H H -1.295 1.274 -1.556 1.00 . A A . 9 ARG H 1 1
3 418 1 1 7 ARG HA H -3.120 -0.908 -2.668 1.00 . A A . 9 ARG HA 1 1
3 419 1 1 7 ARG HB2 H -1.283 -1.702 -3.971 1.00 . A A . 9 ARG HB2 1 1
3 420 1 1 7 ARG HB3 H -1.532 -0.003 -4.290 1.00 . A A . 9 ARG HB3 1 1
3 421 1 1 7 ARG HD2 H 1.047 -1.781 -4.867 1.00 . A A . 9 ARG HD2 1 1
3 422 1 1 7 ARG HD3 H 0.955 -0.065 -5.334 1.00 . A A . 9 ARG HD3 1 1
3 423 1 1 7 ARG HG2 H 0.515 0.586 -2.945 1.00 . A A . 9 ARG HG2 1 1
3 424 1 1 7 ARG HG3 H 0.701 -1.092 -2.438 1.00 . A A . 9 ARG HG3 1 1
3 425 1 1 7 ARG HH11 H 2.611 -1.194 -6.536 1.00 . A A . 9 ARG HH11 1 1
3 426 1 1 7 ARG HH12 H 4.438 -1.140 -6.768 1.00 . A A . 9 ARG HH12 1 1
3 427 1 1 7 ARG HH21 H 4.875 -0.270 -3.504 1.00 . A A . 9 ARG HH21 1 1
3 428 1 1 7 ARG HH22 H 5.664 -0.638 -5.131 1.00 . A A . 9 ARG HH22 1 1
3 429 1 1 7 ARG N N -2.153 0.754 -1.781 1.00 . A A . 9 ARG N 1 1
3 430 1 1 7 ARG NE N 2.656 -0.581 -4.136 1.00 . A A . 9 ARG NE 1 1
3 431 1 1 7 ARG NH1 N 3.575 -1.059 -6.227 1.00 . A A . 9 ARG NH1 1 1
3 432 1 1 7 ARG NH2 N 4.875 -0.535 -4.491 1.00 . A A . 9 ARG NH2 1 1
3 433 1 1 7 ARG O O -0.897 -1.366 -0.301 1.00 . A A . 9 ARG O 1 1
3 434 1 1 8 TRP C C -0.943 -5.027 -1.244 1.00 . A A . 10 TRP C 1 1
3 435 1 1 8 TRP CA C -1.814 -4.023 -0.423 1.00 . A A . 10 TRP CA 1 1
3 436 1 1 8 TRP CB C -3.087 -4.657 0.183 1.00 . A A . 10 TRP CB 1 1
3 437 1 1 8 TRP CD1 C -2.975 -7.209 0.653 1.00 . A A . 10 TRP CD1 1 1
3 438 1 1 8 TRP CD2 C -2.302 -5.935 2.347 1.00 . A A . 10 TRP CD2 1 1
3 439 1 1 8 TRP CE2 C -2.120 -7.301 2.679 1.00 . A A . 10 TRP CE2 1 1
3 440 1 1 8 TRP CE3 C -1.898 -4.915 3.241 1.00 . A A . 10 TRP CE3 1 1
3 441 1 1 8 TRP CG C -2.837 -5.876 1.076 1.00 . A A . 10 TRP CG 1 1
3 442 1 1 8 TRP CH2 C -1.135 -6.636 4.787 1.00 . A A . 10 TRP CH2 1 1
3 443 1 1 8 TRP CZ2 C -1.525 -7.654 3.914 1.00 . A A . 10 TRP CZ2 1 1
3 444 1 1 8 TRP CZ3 C -1.320 -5.287 4.455 1.00 . A A . 10 TRP CZ3 1 1
3 445 1 1 8 TRP H H -2.790 -3.068 -2.128 1.00 . A A . 10 TRP H 1 1
3 446 1 1 8 TRP HA H -1.230 -3.644 0.443 1.00 . A A . 10 TRP HA 1 1
3 447 1 1 8 TRP HB2 H -3.624 -3.895 0.772 1.00 . A A . 10 TRP HB2 1 1
3 448 1 1 8 TRP HB3 H -3.775 -4.942 -0.632 1.00 . A A . 10 TRP HB3 1 1
3 449 1 1 8 TRP HD1 H -3.304 -7.468 -0.344 1.00 . A A . 10 TRP HD1 1 1
3 450 1 1 8 TRP HE1 H -2.535 -9.144 1.606 1.00 . A A . 10 TRP HE1 1 1
3 451 1 1 8 TRP HE3 H -2.027 -3.876 2.978 1.00 . A A . 10 TRP HE3 1 1
3 452 1 1 8 TRP HH2 H -0.678 -6.892 5.732 1.00 . A A . 10 TRP HH2 1 1
3 453 1 1 8 TRP HZ2 H -1.369 -8.691 4.172 1.00 . A A . 10 TRP HZ2 1 1
3 454 1 1 8 TRP HZ3 H -1.005 -4.520 5.149 1.00 . A A . 10 TRP HZ3 1 1
3 455 1 1 8 TRP N N -2.237 -2.893 -1.284 1.00 . A A . 10 TRP N 1 1
3 456 1 1 8 TRP NE1 N -2.540 -8.119 1.640 1.00 . A A . 10 TRP NE1 1 1
3 457 1 1 8 TRP O O -1.359 -5.582 -2.265 1.00 . A A . 10 TRP O 1 1
3 458 1 1 9 LYS C C 1.631 -7.303 -0.147 1.00 . A A . 11 LYS C 1 1
3 459 1 1 9 LYS CA C 1.224 -6.265 -1.245 1.00 . A A . 11 LYS CA 1 1
3 460 1 1 9 LYS CB C 2.401 -5.477 -1.885 1.00 . A A . 11 LYS CB 1 1
3 461 1 1 9 LYS CD C 4.367 -3.810 -1.753 1.00 . A A . 11 LYS CD 1 1
3 462 1 1 9 LYS CE C 4.959 -2.583 -1.031 1.00 . A A . 11 LYS CE 1 1
3 463 1 1 9 LYS CG C 3.170 -4.451 -1.015 1.00 . A A . 11 LYS CG 1 1
3 464 1 1 9 LYS H H 0.494 -4.681 0.087 1.00 . A A . 11 LYS H 1 1
3 465 1 1 9 LYS HA H 0.767 -6.856 -2.064 1.00 . A A . 11 LYS HA 1 1
3 466 1 1 9 LYS HB2 H 3.117 -6.218 -2.270 1.00 . A A . 11 LYS HB2 1 1
3 467 1 1 9 LYS HB3 H 2.011 -4.951 -2.778 1.00 . A A . 11 LYS HB3 1 1
3 468 1 1 9 LYS HD2 H 5.159 -4.574 -1.871 1.00 . A A . 11 LYS HD2 1 1
3 469 1 1 9 LYS HD3 H 4.085 -3.533 -2.789 1.00 . A A . 11 LYS HD3 1 1
3 470 1 1 9 LYS HE2 H 5.135 -2.814 0.040 1.00 . A A . 11 LYS HE2 1 1
3 471 1 1 9 LYS HE3 H 5.954 -2.343 -1.453 1.00 . A A . 11 LYS HE3 1 1
3 472 1 1 9 LYS HG2 H 2.466 -3.659 -0.692 1.00 . A A . 11 LYS HG2 1 1
3 473 1 1 9 LYS HG3 H 3.519 -4.923 -0.077 1.00 . A A . 11 LYS HG3 1 1
3 474 1 1 9 LYS HZ1 H 3.406 -1.337 -1.988 1.00 . A A . 11 LYS HZ1 1 1
3 475 1 1 9 LYS N N 0.252 -5.280 -0.714 1.00 . A A . 11 LYS N 1 1
3 476 1 1 9 LYS NZ N 4.066 -1.417 -1.204 1.00 . A A . 11 LYS NZ 1 1
3 477 1 1 9 LYS O O 2.736 -7.331 0.390 1.00 . A A . 11 LYS O 1 1
3 478 1 1 10 NH2 HN1 H -0.212 -8.060 -0.034 1.00 . A A . 12 NH2 HN1 1 1
3 479 1 1 10 NH2 HN2 H 1.107 -8.787 1.016 1.00 . A A . 12 NH2 HN2 1 1
3 480 1 1 10 NH2 N N 0.765 -8.224 0.232 1.00 . A A . 12 NH2 N 1 1
4 481 1 1 1 ACE C C 1.614 -3.796 2.593 1.00 . A A . 3 ACE C 1 1
4 482 1 1 1 ACE CH3 C 2.723 -4.724 3.051 1.00 . A A . 3 ACE CH3 1 1
4 483 1 1 1 ACE H1 H 3.704 -4.419 2.643 1.00 . A A . 3 ACE H1 1 1
4 484 1 1 1 ACE H2 H 2.794 -4.754 4.153 1.00 . A A . 3 ACE H2 1 1
4 485 1 1 1 ACE H3 H 2.531 -5.756 2.705 1.00 . A A . 3 ACE H3 1 1
4 486 1 1 1 ACE O O 0.651 -4.228 1.964 1.00 . A A . 3 ACE O 1 1
4 487 1 1 2 NLE C C 1.481 -0.153 2.194 1.00 . A A . 4 NLE C 1 1
4 488 1 1 2 NLE CA C 0.756 -1.470 2.605 1.00 . A A . 4 NLE CA 1 1
4 489 1 1 2 NLE CB C -0.179 -1.304 3.823 1.00 . A A . 4 NLE CB 1 1
4 490 1 1 2 NLE CD C -2.264 -0.253 4.889 1.00 . A A . 4 NLE CD 1 1
4 491 1 1 2 NLE CE C -3.311 0.862 4.765 1.00 . A A . 4 NLE CE 1 1
4 492 1 1 2 NLE CG C -1.398 -0.383 3.624 1.00 . A A . 4 NLE CG 1 1
4 493 1 1 2 NLE H H 2.622 -2.317 3.457 1.00 . A A . 4 NLE H 1 1
4 494 1 1 2 NLE HA H 0.117 -1.814 1.767 1.00 . A A . 4 NLE HA 1 1
4 495 1 1 2 NLE HB2 H 0.426 -0.937 4.670 1.00 . A A . 4 NLE HB2 1 1
4 496 1 1 2 NLE HB3 H -0.544 -2.303 4.105 1.00 . A A . 4 NLE HB3 1 1
4 497 1 1 2 NLE HD2 H -1.624 -0.038 5.767 1.00 . A A . 4 NLE HD2 1 1
4 498 1 1 2 NLE HD3 H -2.763 -1.216 5.107 1.00 . A A . 4 NLE HD3 1 1
4 499 1 1 2 NLE HE1 H -2.836 1.855 4.641 1.00 . A A . 4 NLE HE1 1 1
4 500 1 1 2 NLE HE2 H -3.985 0.707 3.901 1.00 . A A . 4 NLE HE2 1 1
4 501 1 1 2 NLE HE3 H -3.943 0.924 5.668 1.00 . A A . 4 NLE HE3 1 1
4 502 1 1 2 NLE HG2 H -2.016 -0.735 2.775 1.00 . A A . 4 NLE HG2 1 1
4 503 1 1 2 NLE HG3 H -1.034 0.615 3.336 1.00 . A A . 4 NLE HG3 1 1
4 504 1 1 2 NLE N N 1.768 -2.515 2.924 1.00 . A A . 4 NLE N 1 1
4 505 1 1 2 NLE O O 2.123 0.519 3.008 1.00 . A A . 4 NLE O 1 1
4 506 1 1 3 ASP C C 1.346 2.506 -0.170 1.00 . A A . 5 ASP C 1 1
4 507 1 1 3 ASP CA C 2.200 1.262 0.276 1.00 . A A . 5 ASP CA 1 1
4 508 1 1 3 ASP CB C 2.935 0.673 -0.953 1.00 . A A . 5 ASP CB 1 1
4 509 1 1 3 ASP CG C 4.030 -0.362 -0.656 1.00 . A A . 5 ASP CG 1 1
4 510 1 1 3 ASP H H 0.822 -0.504 0.385 1.00 . A A . 5 ASP H 1 1
4 511 1 1 3 ASP HA H 2.985 1.590 0.984 1.00 . A A . 5 ASP HA 1 1
4 512 1 1 3 ASP HB2 H 2.196 0.290 -1.681 1.00 . A A . 5 ASP HB2 1 1
4 513 1 1 3 ASP HB3 H 3.438 1.499 -1.479 1.00 . A A . 5 ASP HB3 1 1
4 514 1 1 3 ASP N N 1.373 0.191 0.908 1.00 . A A . 5 ASP N 1 1
4 515 1 1 3 ASP O O 0.369 2.301 -0.901 1.00 . A A . 5 ASP O 1 1
4 516 1 1 3 ASP OD1 O 5.070 -0.019 -0.094 1.00 . A A . 5 ASP OD1 1 1
4 517 1 1 4 PRO C C 0.664 5.335 -1.663 1.00 . A A . 6 PRO C 1 1
4 518 1 1 4 PRO CA C 0.784 4.961 -0.139 1.00 . A A . 6 PRO CA 1 1
4 519 1 1 4 PRO CB C 1.383 6.089 0.726 1.00 . A A . 6 PRO CB 1 1
4 520 1 1 4 PRO CD C 2.771 4.150 1.085 1.00 . A A . 6 PRO CD 1 1
4 521 1 1 4 PRO CG C 2.831 5.673 0.986 1.00 . A A . 6 PRO CG 1 1
4 522 1 1 4 PRO HA H -0.220 4.738 0.260 1.00 . A A . 6 PRO HA 1 1
4 523 1 1 4 PRO HB2 H 1.312 7.090 0.260 1.00 . A A . 6 PRO HB2 1 1
4 524 1 1 4 PRO HB3 H 0.834 6.159 1.686 1.00 . A A . 6 PRO HB3 1 1
4 525 1 1 4 PRO HD2 H 3.732 3.697 0.779 1.00 . A A . 6 PRO HD2 1 1
4 526 1 1 4 PRO HD3 H 2.546 3.823 2.121 1.00 . A A . 6 PRO HD3 1 1
4 527 1 1 4 PRO HG2 H 3.470 5.972 0.132 1.00 . A A . 6 PRO HG2 1 1
4 528 1 1 4 PRO HG3 H 3.257 6.143 1.892 1.00 . A A . 6 PRO HG3 1 1
4 529 1 1 4 PRO N N 1.655 3.793 0.188 1.00 . A A . 6 PRO N 1 1
4 530 1 1 4 PRO O O 1.687 5.297 -2.359 1.00 . A A . 6 PRO O 1 1
4 531 1 1 5 PRO C C -2.750 4.822 -1.049 1.00 . A A . 7 PRO C 1 1
4 532 1 1 5 PRO CA C -1.784 5.992 -1.466 1.00 . A A . 7 PRO CA 1 1
4 533 1 1 5 PRO CB C -2.446 7.002 -2.430 1.00 . A A . 7 PRO CB 1 1
4 534 1 1 5 PRO CD C -0.632 6.030 -3.667 1.00 . A A . 7 PRO CD 1 1
4 535 1 1 5 PRO CG C -2.068 6.523 -3.833 1.00 . A A . 7 PRO CG 1 1
4 536 1 1 5 PRO HA H -1.544 6.534 -0.532 1.00 . A A . 7 PRO HA 1 1
4 537 1 1 5 PRO HB2 H -3.541 7.093 -2.297 1.00 . A A . 7 PRO HB2 1 1
4 538 1 1 5 PRO HB3 H -2.035 8.016 -2.256 1.00 . A A . 7 PRO HB3 1 1
4 539 1 1 5 PRO HD2 H -0.427 5.158 -4.316 1.00 . A A . 7 PRO HD2 1 1
4 540 1 1 5 PRO HD3 H 0.093 6.824 -3.932 1.00 . A A . 7 PRO HD3 1 1
4 541 1 1 5 PRO HG2 H -2.727 5.688 -4.143 1.00 . A A . 7 PRO HG2 1 1
4 542 1 1 5 PRO HG3 H -2.162 7.316 -4.599 1.00 . A A . 7 PRO HG3 1 1
4 543 1 1 5 PRO N N -0.533 5.683 -2.234 1.00 . A A . 7 PRO N 1 1
4 544 1 1 5 PRO O O -3.907 5.086 -0.709 1.00 . A A . 7 PRO O 1 1
4 545 1 1 6 . C C -3.076 1.180 -1.344 1.00 . A A . 8 4J2 C 1 1
4 546 1 1 6 . CA C -3.035 2.420 -0.394 1.00 . A A . 8 4J2 CA 1 1
4 547 1 1 6 . CB C -2.463 2.009 0.997 1.00 . A A . 8 4J2 CB 1 1
4 548 1 1 6 . CD1 C -0.819 3.147 2.545 1.00 . A A . 8 4J2 CD1 1 1
4 549 1 1 6 . CD2 C -3.054 4.029 2.420 1.00 . A A . 8 4J2 CD2 1 1
4 550 1 1 6 . CE1 C -0.444 4.142 3.435 1.00 . A A . 8 4J2 CE1 1 1
4 551 1 1 6 . CE2 C -2.708 5.059 3.297 1.00 . A A . 8 4J2 CE2 1 1
4 552 1 1 6 . CE3 C -3.624 6.043 3.670 1.00 . A A . 8 4J2 CE3 1 1
4 553 1 1 6 . CE4 C -3.235 7.069 4.527 1.00 . A A . 8 4J2 CE4 1 1
4 554 1 1 6 . CG C -2.108 3.091 2.026 1.00 . A A . 8 4J2 CG 1 1
4 555 1 1 6 . CZ1 C -1.366 5.115 3.812 1.00 . A A . 8 4J2 CZ1 1 1
4 556 1 1 6 . CZ2 C -1.001 6.154 4.664 1.00 . A A . 8 4J2 CZ2 1 1
4 557 1 1 6 . CZ3 C -1.932 7.125 5.020 1.00 . A A . 8 4J2 CZ3 1 1
4 558 1 1 6 . H H -1.274 3.470 -1.146 1.00 . A A . 8 4J2 H 1 1
4 559 1 1 6 . HA H -4.082 2.713 -0.209 1.00 . A A . 8 4J2 HA 1 1
4 560 1 1 6 . HB1 H -1.579 1.369 0.849 1.00 . A A . 8 4J2 HB1 1 1
4 561 1 1 6 . HB2 H -3.194 1.334 1.466 1.00 . A A . 8 4J2 HB2 1 1
4 562 1 1 6 . HD1 H -0.097 2.417 2.225 1.00 . A A . 8 4J2 HD1 1 1
4 563 1 1 6 . HD2 H -4.030 3.936 1.975 1.00 . A A . 8 4J2 HD2 1 1
4 564 1 1 6 . HE1 H 0.572 4.156 3.806 1.00 . A A . 8 4J2 HE1 1 1
4 565 1 1 6 . HE3 H -4.638 6.028 3.295 1.00 . A A . 8 4J2 HE3 1 1
4 566 1 1 6 . HE4 H -3.947 7.831 4.811 1.00 . A A . 8 4J2 HE4 1 1
4 567 1 1 6 . HZ2 H 0.014 6.208 5.036 1.00 . A A . 8 4J2 HZ2 1 1
4 568 1 1 6 . HZ23 H -1.642 7.929 5.681 1.00 . A A . 8 4J2 HZ23 1 1
4 569 1 1 6 . N N -2.285 3.561 -0.995 1.00 . A A . 8 4J2 N 1 1
4 570 1 1 6 . O O -4.150 0.639 -1.618 1.00 . A A . 8 4J2 O 1 1
4 571 1 1 7 ARG C C -1.383 -1.705 -1.430 1.00 . A A . 9 ARG C 1 1
4 572 1 1 7 ARG CA C -1.740 -0.603 -2.476 1.00 . A A . 9 ARG CA 1 1
4 573 1 1 7 ARG CB C -0.594 -0.524 -3.519 1.00 . A A . 9 ARG CB 1 1
4 574 1 1 7 ARG CD C 0.636 0.637 -5.446 1.00 . A A . 9 ARG CD 1 1
4 575 1 1 7 ARG CG C -0.639 0.609 -4.572 1.00 . A A . 9 ARG CG 1 1
4 576 1 1 7 ARG CZ C 1.481 2.996 -5.324 1.00 . A A . 9 ARG CZ 1 1
4 577 1 1 7 ARG H H -1.087 1.252 -1.460 1.00 . A A . 9 ARG H 1 1
4 578 1 1 7 ARG HA H -2.675 -0.859 -3.014 1.00 . A A . 9 ARG HA 1 1
4 579 1 1 7 ARG HB2 H 0.360 -0.457 -2.966 1.00 . A A . 9 ARG HB2 1 1
4 580 1 1 7 ARG HB3 H -0.544 -1.494 -4.043 1.00 . A A . 9 ARG HB3 1 1
4 581 1 1 7 ARG HD2 H 1.527 0.273 -4.896 1.00 . A A . 9 ARG HD2 1 1
4 582 1 1 7 ARG HD3 H 0.526 -0.075 -6.286 1.00 . A A . 9 ARG HD3 1 1
4 583 1 1 7 ARG HG2 H -1.536 0.526 -5.214 1.00 . A A . 9 ARG HG2 1 1
4 584 1 1 7 ARG HG3 H -0.758 1.580 -4.053 1.00 . A A . 9 ARG HG3 1 1
4 585 1 1 7 ARG HH11 H 1.564 2.046 -3.628 1.00 . A A . 9 ARG HH11 1 1
4 586 1 1 7 ARG HH12 H 2.122 3.802 -3.610 1.00 . A A . 9 ARG HH12 1 1
4 587 1 1 7 ARG HH21 H 1.391 4.060 -6.934 1.00 . A A . 9 ARG HH21 1 1
4 588 1 1 7 ARG HH22 H 2.143 4.860 -5.443 1.00 . A A . 9 ARG HH22 1 1
4 589 1 1 7 ARG N N -1.897 0.695 -1.775 1.00 . A A . 9 ARG N 1 1
4 590 1 1 7 ARG NE N 0.912 1.991 -5.997 1.00 . A A . 9 ARG NE 1 1
4 591 1 1 7 ARG NH1 N 1.832 2.929 -4.066 1.00 . A A . 9 ARG NH1 1 1
4 592 1 1 7 ARG NH2 N 1.680 4.106 -5.955 1.00 . A A . 9 ARG NH2 1 1
4 593 1 1 7 ARG O O -0.444 -1.548 -0.637 1.00 . A A . 9 ARG O 1 1
4 594 1 1 8 TRP C C -1.006 -5.065 -1.224 1.00 . A A . 10 TRP C 1 1
4 595 1 1 8 TRP CA C -1.861 -3.960 -0.528 1.00 . A A . 10 TRP CA 1 1
4 596 1 1 8 TRP CB C -3.230 -4.461 -0.013 1.00 . A A . 10 TRP CB 1 1
4 597 1 1 8 TRP CD1 C -3.296 -6.978 0.617 1.00 . A A . 10 TRP CD1 1 1
4 598 1 1 8 TRP CD2 C -2.780 -5.627 2.306 1.00 . A A . 10 TRP CD2 1 1
4 599 1 1 8 TRP CE2 C -2.709 -6.976 2.738 1.00 . A A . 10 TRP CE2 1 1
4 600 1 1 8 TRP CE3 C -2.448 -4.568 3.188 1.00 . A A . 10 TRP CE3 1 1
4 601 1 1 8 TRP CG C -3.147 -5.628 0.975 1.00 . A A . 10 TRP CG 1 1
4 602 1 1 8 TRP CH2 C -1.989 -6.219 4.921 1.00 . A A . 10 TRP CH2 1 1
4 603 1 1 8 TRP CZ2 C -2.306 -7.274 4.061 1.00 . A A . 10 TRP CZ2 1 1
4 604 1 1 8 TRP CZ3 C -2.061 -4.887 4.491 1.00 . A A . 10 TRP CZ3 1 1
4 605 1 1 8 TRP H H -2.671 -2.959 -2.297 1.00 . A A . 10 TRP H 1 1
4 606 1 1 8 TRP HA H -1.331 -3.588 0.375 1.00 . A A . 10 TRP HA 1 1
4 607 1 1 8 TRP HB2 H -3.763 -3.629 0.477 1.00 . A A . 10 TRP HB2 1 1
4 608 1 1 8 TRP HB3 H -3.859 -4.755 -0.870 1.00 . A A . 10 TRP HB3 1 1
4 609 1 1 8 TRP HD1 H -3.512 -7.285 -0.398 1.00 . A A . 10 TRP HD1 1 1
4 610 1 1 8 TRP HE1 H -3.076 -8.865 1.730 1.00 . A A . 10 TRP HE1 1 1
4 611 1 1 8 TRP HE3 H -2.486 -3.542 2.855 1.00 . A A . 10 TRP HE3 1 1
4 612 1 1 8 TRP HH2 H -1.679 -6.434 5.934 1.00 . A A . 10 TRP HH2 1 1
4 613 1 1 8 TRP HZ2 H -2.238 -8.298 4.397 1.00 . A A . 10 TRP HZ2 1 1
4 614 1 1 8 TRP HZ3 H -1.808 -4.093 5.179 1.00 . A A . 10 TRP HZ3 1 1
4 615 1 1 8 TRP N N -2.109 -2.830 -1.453 1.00 . A A . 10 TRP N 1 1
4 616 1 1 8 TRP NE1 N -3.030 -7.840 1.701 1.00 . A A . 10 TRP NE1 1 1
4 617 1 1 8 TRP O O -1.354 -5.612 -2.275 1.00 . A A . 10 TRP O 1 1
4 618 1 1 9 LYS C C 1.407 -7.430 0.171 1.00 . A A . 11 LYS C 1 1
4 619 1 1 9 LYS CA C 1.064 -6.439 -0.991 1.00 . A A . 11 LYS CA 1 1
4 620 1 1 9 LYS CB C 2.281 -5.709 -1.628 1.00 . A A . 11 LYS CB 1 1
4 621 1 1 9 LYS CD C 4.218 -4.002 -1.533 1.00 . A A . 11 LYS CD 1 1
4 622 1 1 9 LYS CE C 4.748 -2.713 -0.872 1.00 . A A . 11 LYS CE 1 1
4 623 1 1 9 LYS CG C 3.053 -4.672 -0.770 1.00 . A A . 11 LYS CG 1 1
4 624 1 1 9 LYS H H 0.298 -4.783 0.239 1.00 . A A . 11 LYS H 1 1
4 625 1 1 9 LYS HA H 0.622 -7.066 -1.790 1.00 . A A . 11 LYS HA 1 1
4 626 1 1 9 LYS HB2 H 2.988 -6.481 -1.966 1.00 . A A . 11 LYS HB2 1 1
4 627 1 1 9 LYS HB3 H 1.926 -5.208 -2.548 1.00 . A A . 11 LYS HB3 1 1
4 628 1 1 9 LYS HD2 H 5.047 -4.729 -1.620 1.00 . A A . 11 LYS HD2 1 1
4 629 1 1 9 LYS HD3 H 3.927 -3.783 -2.579 1.00 . A A . 11 LYS HD3 1 1
4 630 1 1 9 LYS HE2 H 4.954 -2.878 0.205 1.00 . A A . 11 LYS HE2 1 1
4 631 1 1 9 LYS HE3 H 5.722 -2.439 -1.325 1.00 . A A . 11 LYS HE3 1 1
4 632 1 1 9 LYS HG2 H 2.343 -3.899 -0.422 1.00 . A A . 11 LYS HG2 1 1
4 633 1 1 9 LYS HG3 H 3.437 -5.149 0.152 1.00 . A A . 11 LYS HG3 1 1
4 634 1 1 9 LYS HZ1 H 2.855 -1.753 -1.469 1.00 . A A . 11 LYS HZ1 1 1
4 635 1 1 9 LYS N N 0.098 -5.399 -0.559 1.00 . A A . 11 LYS N 1 1
4 636 1 1 9 LYS NZ N 3.782 -1.609 -1.058 1.00 . A A . 11 LYS NZ 1 1
4 637 1 1 9 LYS O O 2.531 -7.548 0.653 1.00 . A A . 11 LYS O 1 1
4 638 1 1 10 NH2 HN1 H -0.499 -7.969 0.420 1.00 . A A . 12 NH2 HN1 1 1
4 639 1 1 10 NH2 HN2 H 0.785 -8.763 1.467 1.00 . A A . 12 NH2 HN2 1 1
4 640 1 1 10 NH2 N N 0.466 -8.216 0.662 1.00 . A A . 12 NH2 N 1 1
5 641 1 1 1 ACE C C 1.363 -3.515 2.690 1.00 . A A . 3 ACE C 1 1
5 642 1 1 1 ACE CH3 C 2.127 -4.568 3.468 1.00 . A A . 3 ACE CH3 1 1
5 643 1 1 1 ACE H1 H 2.217 -5.496 2.873 1.00 . A A . 3 ACE H1 1 1
5 644 1 1 1 ACE H2 H 3.151 -4.230 3.708 1.00 . A A . 3 ACE H2 1 1
5 645 1 1 1 ACE H3 H 1.611 -4.830 4.409 1.00 . A A . 3 ACE H3 1 1
5 646 1 1 1 ACE O O 0.954 -3.749 1.555 1.00 . A A . 3 ACE O 1 1
5 647 1 1 2 NLE C C 1.502 -0.132 2.173 1.00 . A A . 4 NLE C 1 1
5 648 1 1 2 NLE CA C 0.481 -1.202 2.679 1.00 . A A . 4 NLE CA 1 1
5 649 1 1 2 NLE CB C -0.481 -0.556 3.705 1.00 . A A . 4 NLE CB 1 1
5 650 1 1 2 NLE CD C -2.814 -0.491 4.846 1.00 . A A . 4 NLE CD 1 1
5 651 1 1 2 NLE CE C -2.350 -0.111 6.261 1.00 . A A . 4 NLE CE 1 1
5 652 1 1 2 NLE CG C -1.789 -1.310 4.034 1.00 . A A . 4 NLE CG 1 1
5 653 1 1 2 NLE H H 1.575 -2.297 4.253 1.00 . A A . 4 NLE H 1 1
5 654 1 1 2 NLE HA H -0.141 -1.551 1.827 1.00 . A A . 4 NLE HA 1 1
5 655 1 1 2 NLE HB2 H -0.777 0.427 3.324 1.00 . A A . 4 NLE HB2 1 1
5 656 1 1 2 NLE HB3 H 0.084 -0.318 4.620 1.00 . A A . 4 NLE HB3 1 1
5 657 1 1 2 NLE HD2 H -3.753 -1.071 4.924 1.00 . A A . 4 NLE HD2 1 1
5 658 1 1 2 NLE HD3 H -3.090 0.425 4.290 1.00 . A A . 4 NLE HD3 1 1
5 659 1 1 2 NLE HE1 H -2.073 -1.000 6.857 1.00 . A A . 4 NLE HE1 1 1
5 660 1 1 2 NLE HE2 H -1.473 0.562 6.238 1.00 . A A . 4 NLE HE2 1 1
5 661 1 1 2 NLE HE3 H -3.146 0.421 6.813 1.00 . A A . 4 NLE HE3 1 1
5 662 1 1 2 NLE HG2 H -1.561 -2.246 4.570 1.00 . A A . 4 NLE HG2 1 1
5 663 1 1 2 NLE HG3 H -2.274 -1.622 3.089 1.00 . A A . 4 NLE HG3 1 1
5 664 1 1 2 NLE N N 1.174 -2.356 3.315 1.00 . A A . 4 NLE N 1 1
5 665 1 1 2 NLE O O 2.232 0.481 2.960 1.00 . A A . 4 NLE O 1 1
5 666 1 1 3 ASP C C 1.446 2.418 -0.228 1.00 . A A . 5 ASP C 1 1
5 667 1 1 3 ASP CA C 2.328 1.199 0.234 1.00 . A A . 5 ASP CA 1 1
5 668 1 1 3 ASP CB C 3.076 0.613 -0.987 1.00 . A A . 5 ASP CB 1 1
5 669 1 1 3 ASP CG C 4.199 -0.382 -0.667 1.00 . A A . 5 ASP CG 1 1
5 670 1 1 3 ASP H H 0.860 -0.464 0.314 1.00 . A A . 5 ASP H 1 1
5 671 1 1 3 ASP HA H 3.105 1.544 0.942 1.00 . A A . 5 ASP HA 1 1
5 672 1 1 3 ASP HB2 H 2.345 0.200 -1.709 1.00 . A A . 5 ASP HB2 1 1
5 673 1 1 3 ASP HB3 H 3.555 1.446 -1.527 1.00 . A A . 5 ASP HB3 1 1
5 674 1 1 3 ASP N N 1.493 0.135 0.862 1.00 . A A . 5 ASP N 1 1
5 675 1 1 3 ASP O O 0.469 2.181 -0.951 1.00 . A A . 5 ASP O 1 1
5 676 1 1 3 ASP OD1 O 5.212 -0.008 -0.075 1.00 . A A . 5 ASP OD1 1 1
5 677 1 1 4 PRO C C 0.645 5.007 -1.903 1.00 . A A . 6 PRO C 1 1
5 678 1 1 4 PRO CA C 0.939 4.886 -0.359 1.00 . A A . 6 PRO CA 1 1
5 679 1 1 4 PRO CB C 1.785 6.065 0.156 1.00 . A A . 6 PRO CB 1 1
5 680 1 1 4 PRO CD C 2.697 4.077 1.177 1.00 . A A . 6 PRO CD 1 1
5 681 1 1 4 PRO CG C 2.414 5.554 1.451 1.00 . A A . 6 PRO CG 1 1
5 682 1 1 4 PRO HA H -0.005 4.875 0.213 1.00 . A A . 6 PRO HA 1 1
5 683 1 1 4 PRO HB2 H 2.585 6.325 -0.567 1.00 . A A . 6 PRO HB2 1 1
5 684 1 1 4 PRO HB3 H 1.185 6.981 0.308 1.00 . A A . 6 PRO HB3 1 1
5 685 1 1 4 PRO HD2 H 3.733 3.926 0.820 1.00 . A A . 6 PRO HD2 1 1
5 686 1 1 4 PRO HD3 H 2.565 3.477 2.101 1.00 . A A . 6 PRO HD3 1 1
5 687 1 1 4 PRO HG2 H 3.324 6.117 1.735 1.00 . A A . 6 PRO HG2 1 1
5 688 1 1 4 PRO HG3 H 1.696 5.662 2.288 1.00 . A A . 6 PRO HG3 1 1
5 689 1 1 4 PRO N N 1.727 3.712 0.124 1.00 . A A . 6 PRO N 1 1
5 690 1 1 4 PRO O O 1.587 4.810 -2.679 1.00 . A A . 6 PRO O 1 1
5 691 1 1 5 PRO C C -2.741 4.540 -1.150 1.00 . A A . 7 PRO C 1 1
5 692 1 1 5 PRO CA C -1.782 5.710 -1.588 1.00 . A A . 7 PRO CA 1 1
5 693 1 1 5 PRO CB C -2.426 6.728 -2.555 1.00 . A A . 7 PRO CB 1 1
5 694 1 1 5 PRO CD C -0.796 5.530 -3.856 1.00 . A A . 7 PRO CD 1 1
5 695 1 1 5 PRO CG C -2.188 6.152 -3.953 1.00 . A A . 7 PRO CG 1 1
5 696 1 1 5 PRO HA H -1.492 6.263 -0.675 1.00 . A A . 7 PRO HA 1 1
5 697 1 1 5 PRO HB2 H -3.499 6.910 -2.350 1.00 . A A . 7 PRO HB2 1 1
5 698 1 1 5 PRO HB3 H -1.927 7.713 -2.461 1.00 . A A . 7 PRO HB3 1 1
5 699 1 1 5 PRO HD2 H -0.720 4.585 -4.425 1.00 . A A . 7 PRO HD2 1 1
5 700 1 1 5 PRO HD3 H -0.028 6.220 -4.254 1.00 . A A . 7 PRO HD3 1 1
5 701 1 1 5 PRO HG2 H -2.942 5.371 -4.176 1.00 . A A . 7 PRO HG2 1 1
5 702 1 1 5 PRO HG3 H -2.262 6.915 -4.751 1.00 . A A . 7 PRO HG3 1 1
5 703 1 1 5 PRO N N -0.593 5.314 -2.407 1.00 . A A . 7 PRO N 1 1
5 704 1 1 5 PRO O O -3.945 4.552 -1.418 1.00 . A A . 7 PRO O 1 1
5 705 1 1 6 . C C -3.120 1.222 -1.010 1.00 . A A . 8 4J2 C 1 1
5 706 1 1 6 . CA C -2.964 2.360 0.052 1.00 . A A . 8 4J2 CA 1 1
5 707 1 1 6 . CB C -2.281 1.773 1.322 1.00 . A A . 8 4J2 CB 1 1
5 708 1 1 6 . CD1 C -0.582 3.031 2.713 1.00 . A A . 8 4J2 CD1 1 1
5 709 1 1 6 . CD2 C -2.909 3.245 3.283 1.00 . A A . 8 4J2 CD2 1 1
5 710 1 1 6 . CE1 C -0.216 3.863 3.758 1.00 . A A . 8 4J2 CE1 1 1
5 711 1 1 6 . CE2 C -2.580 4.095 4.343 1.00 . A A . 8 4J2 CE2 1 1
5 712 1 1 6 . CE3 C -3.555 4.641 5.178 1.00 . A A . 8 4J2 CE3 1 1
5 713 1 1 6 . CE4 C -3.186 5.487 6.222 1.00 . A A . 8 4J2 CE4 1 1
5 714 1 1 6 . CG C -1.916 2.724 2.467 1.00 . A A . 8 4J2 CG 1 1
5 715 1 1 6 . CZ1 C -1.197 4.413 4.578 1.00 . A A . 8 4J2 CZ1 1 1
5 716 1 1 6 . CZ2 C -0.852 5.262 5.625 1.00 . A A . 8 4J2 CZ2 1 1
5 717 1 1 6 . CZ3 C -1.844 5.796 6.444 1.00 . A A . 8 4J2 CZ3 1 1
5 718 1 1 6 . H H -1.183 3.556 -0.353 1.00 . A A . 8 4J2 H 1 1
5 719 1 1 6 . HA H -3.974 2.683 0.358 1.00 . A A . 8 4J2 HA 1 1
5 720 1 1 6 . HB1 H -1.377 1.212 1.029 1.00 . A A . 8 4J2 HB1 1 1
5 721 1 1 6 . HB2 H -2.938 0.988 1.727 1.00 . A A . 8 4J2 HB2 1 1
5 722 1 1 6 . HD1 H 0.174 2.584 2.098 1.00 . A A . 8 4J2 HD1 1 1
5 723 1 1 6 . HD2 H -3.913 2.941 3.043 1.00 . A A . 8 4J2 HD2 1 1
5 724 1 1 6 . HE1 H 0.833 4.060 3.928 1.00 . A A . 8 4J2 HE1 1 1
5 725 1 1 6 . HE3 H -4.603 4.420 5.028 1.00 . A A . 8 4J2 HE3 1 1
5 726 1 1 6 . HE4 H -3.944 5.907 6.866 1.00 . A A . 8 4J2 HE4 1 1
5 727 1 1 6 . HZ2 H 0.191 5.505 5.791 1.00 . A A . 8 4J2 HZ2 1 1
5 728 1 1 6 . HZ23 H -1.572 6.455 7.256 1.00 . A A . 8 4J2 HZ23 1 1
5 729 1 1 6 . N N -2.203 3.544 -0.434 1.00 . A A . 8 4J2 N 1 1
5 730 1 1 6 . O O -4.208 0.667 -1.182 1.00 . A A . 8 4J2 O 1 1
5 731 1 1 7 ARG C C -1.383 -1.580 -1.469 1.00 . A A . 9 ARG C 1 1
5 732 1 1 7 ARG CA C -1.885 -0.438 -2.408 1.00 . A A . 9 ARG CA 1 1
5 733 1 1 7 ARG CB C -0.885 -0.238 -3.572 1.00 . A A . 9 ARG CB 1 1
5 734 1 1 7 ARG CD C -0.220 0.992 -5.757 1.00 . A A . 9 ARG CD 1 1
5 735 1 1 7 ARG CG C -1.286 0.790 -4.663 1.00 . A A . 9 ARG CG 1 1
5 736 1 1 7 ARG CZ C 0.745 -0.350 -7.638 1.00 . A A . 9 ARG CZ 1 1
5 737 1 1 7 ARG H H -1.172 1.374 -1.359 1.00 . A A . 9 ARG H 1 1
5 738 1 1 7 ARG HA H -2.870 -0.705 -2.844 1.00 . A A . 9 ARG HA 1 1
5 739 1 1 7 ARG HB2 H 0.104 0.019 -3.152 1.00 . A A . 9 ARG HB2 1 1
5 740 1 1 7 ARG HB3 H -0.729 -1.213 -4.068 1.00 . A A . 9 ARG HB3 1 1
5 741 1 1 7 ARG HD2 H -0.483 1.885 -6.359 1.00 . A A . 9 ARG HD2 1 1
5 742 1 1 7 ARG HD3 H 0.761 1.214 -5.292 1.00 . A A . 9 ARG HD3 1 1
5 743 1 1 7 ARG HG2 H -2.249 0.500 -5.128 1.00 . A A . 9 ARG HG2 1 1
5 744 1 1 7 ARG HG3 H -1.483 1.769 -4.185 1.00 . A A . 9 ARG HG3 1 1
5 745 1 1 7 ARG HH11 H 1.643 1.371 -7.387 1.00 . A A . 9 ARG HH11 1 1
5 746 1 1 7 ARG HH12 H 2.273 0.294 -8.743 1.00 . A A . 9 ARG HH12 1 1
5 747 1 1 7 ARG HH21 H -0.060 -2.069 -7.986 1.00 . A A . 9 ARG HH21 1 1
5 748 1 1 7 ARG HH22 H 1.349 -1.582 -9.078 1.00 . A A . 9 ARG HH22 1 1
5 749 1 1 7 ARG N N -2.001 0.826 -1.641 1.00 . A A . 9 ARG N 1 1
5 750 1 1 7 ARG NE N -0.132 -0.194 -6.649 1.00 . A A . 9 ARG NE 1 1
5 751 1 1 7 ARG NH1 N 1.657 0.529 -7.965 1.00 . A A . 9 ARG NH1 1 1
5 752 1 1 7 ARG NH2 N 0.684 -1.451 -8.317 1.00 . A A . 9 ARG NH2 1 1
5 753 1 1 7 ARG O O -0.433 -1.409 -0.694 1.00 . A A . 9 ARG O 1 1
5 754 1 1 8 TRP C C -0.847 -4.967 -1.371 1.00 . A A . 10 TRP C 1 1
5 755 1 1 8 TRP CA C -1.736 -3.899 -0.660 1.00 . A A . 10 TRP CA 1 1
5 756 1 1 8 TRP CB C -3.093 -4.451 -0.158 1.00 . A A . 10 TRP CB 1 1
5 757 1 1 8 TRP CD1 C -3.331 -7.010 0.226 1.00 . A A . 10 TRP CD1 1 1
5 758 1 1 8 TRP CD2 C -2.537 -5.897 1.980 1.00 . A A . 10 TRP CD2 1 1
5 759 1 1 8 TRP CE2 C -2.565 -7.284 2.271 1.00 . A A . 10 TRP CE2 1 1
5 760 1 1 8 TRP CE3 C -2.012 -4.975 2.917 1.00 . A A . 10 TRP CE3 1 1
5 761 1 1 8 TRP CG C -3.022 -5.722 0.698 1.00 . A A . 10 TRP CG 1 1
5 762 1 1 8 TRP CH2 C -1.559 -6.835 4.425 1.00 . A A . 10 TRP CH2 1 1
5 763 1 1 8 TRP CZ2 C -2.067 -7.759 3.507 1.00 . A A . 10 TRP CZ2 1 1
5 764 1 1 8 TRP CZ3 C -1.534 -5.464 4.134 1.00 . A A . 10 TRP CZ3 1 1
5 765 1 1 8 TRP H H -2.608 -2.860 -2.387 1.00 . A A . 10 TRP H 1 1
5 766 1 1 8 TRP HA H -1.222 -3.532 0.254 1.00 . A A . 10 TRP HA 1 1
5 767 1 1 8 TRP HB2 H -3.608 -3.667 0.423 1.00 . A A . 10 TRP HB2 1 1
5 768 1 1 8 TRP HB3 H -3.743 -4.649 -1.026 1.00 . A A . 10 TRP HB3 1 1
5 769 1 1 8 TRP HD1 H -3.670 -7.193 -0.785 1.00 . A A . 10 TRP HD1 1 1
5 770 1 1 8 TRP HE1 H -3.199 -9.016 1.121 1.00 . A A . 10 TRP HE1 1 1
5 771 1 1 8 TRP HE3 H -1.967 -3.922 2.686 1.00 . A A . 10 TRP HE3 1 1
5 772 1 1 8 TRP HH2 H -1.174 -7.184 5.372 1.00 . A A . 10 TRP HH2 1 1
5 773 1 1 8 TRP HZ2 H -2.071 -8.814 3.734 1.00 . A A . 10 TRP HZ2 1 1
5 774 1 1 8 TRP HZ3 H -1.125 -4.774 4.859 1.00 . A A . 10 TRP HZ3 1 1
5 775 1 1 8 TRP N N -2.025 -2.751 -1.554 1.00 . A A . 10 TRP N 1 1
5 776 1 1 8 TRP NE1 N -3.062 -8.001 1.192 1.00 . A A . 10 TRP NE1 1 1
5 777 1 1 8 TRP O O -1.189 -5.529 -2.415 1.00 . A A . 10 TRP O 1 1
5 778 1 1 9 LYS C C 1.429 -7.348 0.098 1.00 . A A . 11 LYS C 1 1
5 779 1 1 9 LYS CA C 1.211 -6.350 -1.087 1.00 . A A . 11 LYS CA 1 1
5 780 1 1 9 LYS CB C 2.498 -5.683 -1.647 1.00 . A A . 11 LYS CB 1 1
5 781 1 1 9 LYS CD C 4.477 -4.031 -1.465 1.00 . A A . 11 LYS CD 1 1
5 782 1 1 9 LYS CE C 4.972 -2.720 -0.823 1.00 . A A . 11 LYS CE 1 1
5 783 1 1 9 LYS CG C 3.255 -4.663 -0.758 1.00 . A A . 11 LYS CG 1 1
5 784 1 1 9 LYS H H 0.478 -4.618 0.059 1.00 . A A . 11 LYS H 1 1
5 785 1 1 9 LYS HA H 0.794 -6.953 -1.919 1.00 . A A . 11 LYS HA 1 1
5 786 1 1 9 LYS HB2 H 3.193 -6.486 -1.931 1.00 . A A . 11 LYS HB2 1 1
5 787 1 1 9 LYS HB3 H 2.223 -5.181 -2.595 1.00 . A A . 11 LYS HB3 1 1
5 788 1 1 9 LYS HD2 H 5.303 -4.768 -1.471 1.00 . A A . 11 LYS HD2 1 1
5 789 1 1 9 LYS HD3 H 4.258 -3.849 -2.536 1.00 . A A . 11 LYS HD3 1 1
5 790 1 1 9 LYS HE2 H 5.133 -2.853 0.266 1.00 . A A . 11 LYS HE2 1 1
5 791 1 1 9 LYS HE3 H 5.961 -2.448 -1.244 1.00 . A A . 11 LYS HE3 1 1
5 792 1 1 9 LYS HG2 H 2.549 -3.865 -0.463 1.00 . A A . 11 LYS HG2 1 1
5 793 1 1 9 LYS HG3 H 3.569 -5.132 0.194 1.00 . A A . 11 LYS HG3 1 1
5 794 1 1 9 LYS HZ1 H 3.090 -1.803 -1.510 1.00 . A A . 11 LYS HZ1 1 1
5 795 1 1 9 LYS N N 0.264 -5.277 -0.704 1.00 . A A . 11 LYS N 1 1
5 796 1 1 9 LYS NZ N 4.004 -1.632 -1.080 1.00 . A A . 11 LYS NZ 1 1
5 797 1 1 9 LYS O O 2.437 -7.362 0.800 1.00 . A A . 11 LYS O 1 1
5 798 1 1 10 NH2 HN1 H -0.424 -8.079 -0.047 1.00 . A A . 12 NH2 HN1 1 1
5 799 1 1 10 NH2 HN2 H 0.704 -8.775 1.224 1.00 . A A . 12 NH2 HN2 1 1
5 800 1 1 10 NH2 N N 0.497 -8.239 0.376 1.00 . A A . 12 NH2 N 1 1
6 801 1 1 1 ACE C C 1.063 -3.684 3.433 1.00 . A A . 3 ACE C 1 1
6 802 1 1 1 ACE CH3 C 1.650 -4.370 4.650 1.00 . A A . 3 ACE CH3 1 1
6 803 1 1 1 ACE H1 H 2.734 -4.173 4.743 1.00 . A A . 3 ACE H1 1 1
6 804 1 1 1 ACE H2 H 1.152 -4.037 5.579 1.00 . A A . 3 ACE H2 1 1
6 805 1 1 1 ACE H3 H 1.516 -5.464 4.579 1.00 . A A . 3 ACE H3 1 1
6 806 1 1 1 ACE O O 0.498 -4.337 2.555 1.00 . A A . 3 ACE O 1 1
6 807 1 1 2 NLE C C 1.410 -0.250 1.967 1.00 . A A . 4 NLE C 1 1
6 808 1 1 2 NLE CA C 0.569 -1.512 2.350 1.00 . A A . 4 NLE CA 1 1
6 809 1 1 2 NLE CB C -0.891 -1.192 2.765 1.00 . A A . 4 NLE CB 1 1
6 810 1 1 2 NLE CD C -2.630 -0.223 4.394 1.00 . A A . 4 NLE CD 1 1
6 811 1 1 2 NLE CE C -2.864 0.755 5.551 1.00 . A A . 4 NLE CE 1 1
6 812 1 1 2 NLE CG C -1.141 -0.319 4.020 1.00 . A A . 4 NLE CG 1 1
6 813 1 1 2 NLE H H 1.464 -1.934 4.289 1.00 . A A . 4 NLE H 1 1
6 814 1 1 2 NLE HA H 0.503 -2.131 1.433 1.00 . A A . 4 NLE HA 1 1
6 815 1 1 2 NLE HB2 H -1.404 -2.157 2.893 1.00 . A A . 4 NLE HB2 1 1
6 816 1 1 2 NLE HB3 H -1.389 -0.735 1.899 1.00 . A A . 4 NLE HB3 1 1
6 817 1 1 2 NLE HD2 H -3.014 -1.225 4.669 1.00 . A A . 4 NLE HD2 1 1
6 818 1 1 2 NLE HD3 H -3.233 0.095 3.524 1.00 . A A . 4 NLE HD3 1 1
6 819 1 1 2 NLE HE1 H -2.320 0.453 6.466 1.00 . A A . 4 NLE HE1 1 1
6 820 1 1 2 NLE HE2 H -2.535 1.780 5.293 1.00 . A A . 4 NLE HE2 1 1
6 821 1 1 2 NLE HE3 H -3.937 0.817 5.815 1.00 . A A . 4 NLE HE3 1 1
6 822 1 1 2 NLE HG2 H -0.721 0.688 3.856 1.00 . A A . 4 NLE HG2 1 1
6 823 1 1 2 NLE HG3 H -0.581 -0.715 4.883 1.00 . A A . 4 NLE HG3 1 1
6 824 1 1 2 NLE N N 1.193 -2.355 3.401 1.00 . A A . 4 NLE N 1 1
6 825 1 1 2 NLE O O 2.002 0.423 2.818 1.00 . A A . 4 NLE O 1 1
6 826 1 1 3 ASP C C 1.412 2.410 -0.357 1.00 . A A . 5 ASP C 1 1
6 827 1 1 3 ASP CA C 2.271 1.167 0.090 1.00 . A A . 5 ASP CA 1 1
6 828 1 1 3 ASP CB C 3.037 0.614 -1.138 1.00 . A A . 5 ASP CB 1 1
6 829 1 1 3 ASP CG C 4.174 -0.367 -0.827 1.00 . A A . 5 ASP CG 1 1
6 830 1 1 3 ASP H H 0.855 -0.544 0.067 1.00 . A A . 5 ASP H 1 1
6 831 1 1 3 ASP HA H 3.034 1.482 0.828 1.00 . A A . 5 ASP HA 1 1
6 832 1 1 3 ASP HB2 H 2.327 0.197 -1.877 1.00 . A A . 5 ASP HB2 1 1
6 833 1 1 3 ASP HB3 H 3.508 1.461 -1.663 1.00 . A A . 5 ASP HB3 1 1
6 834 1 1 3 ASP N N 1.433 0.073 0.663 1.00 . A A . 5 ASP N 1 1
6 835 1 1 3 ASP O O 0.437 2.203 -1.091 1.00 . A A . 5 ASP O 1 1
6 836 1 1 3 ASP OD1 O 5.255 0.054 -0.416 1.00 . A A . 5 ASP OD1 1 1
6 837 1 1 4 PRO C C 0.592 5.082 -1.947 1.00 . A A . 6 PRO C 1 1
6 838 1 1 4 PRO CA C 0.932 4.886 -0.422 1.00 . A A . 6 PRO CA 1 1
6 839 1 1 4 PRO CB C 1.795 6.052 0.095 1.00 . A A . 6 PRO CB 1 1
6 840 1 1 4 PRO CD C 2.760 4.035 1.003 1.00 . A A . 6 PRO CD 1 1
6 841 1 1 4 PRO CG C 2.509 5.508 1.328 1.00 . A A . 6 PRO CG 1 1
6 842 1 1 4 PRO HA H 0.001 4.847 0.171 1.00 . A A . 6 PRO HA 1 1
6 843 1 1 4 PRO HB2 H 2.549 6.355 -0.659 1.00 . A A . 6 PRO HB2 1 1
6 844 1 1 4 PRO HB3 H 1.195 6.954 0.320 1.00 . A A . 6 PRO HB3 1 1
6 845 1 1 4 PRO HD2 H 3.773 3.884 0.586 1.00 . A A . 6 PRO HD2 1 1
6 846 1 1 4 PRO HD3 H 2.674 3.421 1.923 1.00 . A A . 6 PRO HD3 1 1
6 847 1 1 4 PRO HG2 H 3.443 6.056 1.558 1.00 . A A . 6 PRO HG2 1 1
6 848 1 1 4 PRO HG3 H 1.856 5.606 2.216 1.00 . A A . 6 PRO HG3 1 1
6 849 1 1 4 PRO N N 1.730 3.695 -0.001 1.00 . A A . 6 PRO N 1 1
6 850 1 1 4 PRO O O 1.476 4.817 -2.771 1.00 . A A . 6 PRO O 1 1
6 851 1 1 5 PRO C C -2.616 4.823 -0.752 1.00 . A A . 7 PRO C 1 1
6 852 1 1 5 PRO CA C -1.770 5.928 -1.484 1.00 . A A . 7 PRO CA 1 1
6 853 1 1 5 PRO CB C -2.665 6.748 -2.445 1.00 . A A . 7 PRO CB 1 1
6 854 1 1 5 PRO CD C -0.839 5.972 -3.776 1.00 . A A . 7 PRO CD 1 1
6 855 1 1 5 PRO CG C -1.776 7.164 -3.615 1.00 . A A . 7 PRO CG 1 1
6 856 1 1 5 PRO HA H -1.398 6.617 -0.702 1.00 . A A . 7 PRO HA 1 1
6 857 1 1 5 PRO HB2 H -3.504 6.137 -2.835 1.00 . A A . 7 PRO HB2 1 1
6 858 1 1 5 PRO HB3 H -3.130 7.617 -1.942 1.00 . A A . 7 PRO HB3 1 1
6 859 1 1 5 PRO HD2 H -1.314 5.154 -4.353 1.00 . A A . 7 PRO HD2 1 1
6 860 1 1 5 PRO HD3 H 0.090 6.258 -4.307 1.00 . A A . 7 PRO HD3 1 1
6 861 1 1 5 PRO HG2 H -2.350 7.380 -4.536 1.00 . A A . 7 PRO HG2 1 1
6 862 1 1 5 PRO HG3 H -1.202 8.077 -3.364 1.00 . A A . 7 PRO HG3 1 1
6 863 1 1 5 PRO N N -0.624 5.548 -2.378 1.00 . A A . 7 PRO N 1 1
6 864 1 1 5 PRO O O -3.632 5.150 -0.134 1.00 . A A . 7 PRO O 1 1
6 865 1 1 6 . C C -3.092 1.198 -1.115 1.00 . A A . 8 4J2 C 1 1
6 866 1 1 6 . CA C -2.909 2.411 -0.144 1.00 . A A . 8 4J2 CA 1 1
6 867 1 1 6 . CB C -2.164 1.942 1.137 1.00 . A A . 8 4J2 CB 1 1
6 868 1 1 6 . CD1 C -0.448 3.062 2.617 1.00 . A A . 8 4J2 CD1 1 1
6 869 1 1 6 . CD2 C -2.735 3.786 2.780 1.00 . A A . 8 4J2 CD2 1 1
6 870 1 1 6 . CE1 C -0.054 3.998 3.561 1.00 . A A . 8 4J2 CE1 1 1
6 871 1 1 6 . CE2 C -2.372 4.759 3.714 1.00 . A A . 8 4J2 CE2 1 1
6 872 1 1 6 . CE3 C -3.308 5.636 4.262 1.00 . A A . 8 4J2 CE3 1 1
6 873 1 1 6 . CE4 C -2.902 6.614 5.167 1.00 . A A . 8 4J2 CE4 1 1
6 874 1 1 6 . CG C -1.774 2.962 2.211 1.00 . A A . 8 4J2 CG 1 1
6 875 1 1 6 . CZ1 C -0.991 4.872 4.104 1.00 . A A . 8 4J2 CZ1 1 1
6 876 1 1 6 . CZ2 C -0.608 5.865 5.001 1.00 . A A . 8 4J2 CZ2 1 1
6 877 1 1 6 . CZ3 C -1.562 6.730 5.532 1.00 . A A . 8 4J2 CZ3 1 1
6 878 1 1 6 . H H -1.246 3.419 -1.134 1.00 . A A . 8 4J2 H 1 1
6 879 1 1 6 . HA H -3.917 2.723 0.179 1.00 . A A . 8 4J2 HA 1 1
6 880 1 1 6 . HB1 H -1.264 1.382 0.842 1.00 . A A . 8 4J2 HB1 1 1
6 881 1 1 6 . HB2 H -2.800 1.186 1.616 1.00 . A A . 8 4J2 HB2 1 1
6 882 1 1 6 . HD1 H 0.278 2.400 2.182 1.00 . A A . 8 4J2 HD1 1 1
6 883 1 1 6 . HD2 H -3.740 3.643 2.426 1.00 . A A . 8 4J2 HD2 1 1
6 884 1 1 6 . HE1 H 0.987 4.040 3.851 1.00 . A A . 8 4J2 HE1 1 1
6 885 1 1 6 . HE3 H -4.352 5.577 3.986 1.00 . A A . 8 4J2 HE3 1 1
6 886 1 1 6 . HE4 H -3.632 7.294 5.584 1.00 . A A . 8 4J2 HE4 1 1
6 887 1 1 6 . HZ2 H 0.436 5.974 5.267 1.00 . A A . 8 4J2 HZ2 1 1
6 888 1 1 6 . HZ23 H -1.260 7.501 6.227 1.00 . A A . 8 4J2 HZ23 1 1
6 889 1 1 6 . N N -2.206 3.546 -0.801 1.00 . A A . 8 4J2 N 1 1
6 890 1 1 6 . O O -4.194 0.662 -1.237 1.00 . A A . 8 4J2 O 1 1
6 891 1 1 7 ARG C C -1.433 -1.680 -1.428 1.00 . A A . 9 ARG C 1 1
6 892 1 1 7 ARG CA C -1.932 -0.586 -2.424 1.00 . A A . 9 ARG CA 1 1
6 893 1 1 7 ARG CB C -0.953 -0.526 -3.626 1.00 . A A . 9 ARG CB 1 1
6 894 1 1 7 ARG CD C -0.538 1.853 -4.591 1.00 . A A . 9 ARG CD 1 1
6 895 1 1 7 ARG CG C -1.226 0.485 -4.770 1.00 . A A . 9 ARG CG 1 1
6 896 1 1 7 ARG CZ C 0.170 3.518 -6.333 1.00 . A A . 9 ARG CZ 1 1
6 897 1 1 7 ARG H H -1.137 1.262 -1.508 1.00 . A A . 9 ARG H 1 1
6 898 1 1 7 ARG HA H -2.937 -0.852 -2.814 1.00 . A A . 9 ARG HA 1 1
6 899 1 1 7 ARG HB2 H 0.082 -0.410 -3.254 1.00 . A A . 9 ARG HB2 1 1
6 900 1 1 7 ARG HB3 H -0.954 -1.533 -4.080 1.00 . A A . 9 ARG HB3 1 1
6 901 1 1 7 ARG HD2 H -0.985 2.418 -3.748 1.00 . A A . 9 ARG HD2 1 1
6 902 1 1 7 ARG HD3 H 0.528 1.703 -4.332 1.00 . A A . 9 ARG HD3 1 1
6 903 1 1 7 ARG HG2 H -0.862 0.038 -5.717 1.00 . A A . 9 ARG HG2 1 1
6 904 1 1 7 ARG HG3 H -2.315 0.623 -4.925 1.00 . A A . 9 ARG HG3 1 1
6 905 1 1 7 ARG HH11 H 1.385 3.521 -4.786 1.00 . A A . 9 ARG HH11 1 1
6 906 1 1 7 ARG HH12 H 1.833 4.603 -6.201 1.00 . A A . 9 ARG HH12 1 1
6 907 1 1 7 ARG HH21 H -0.981 3.686 -7.872 1.00 . A A . 9 ARG HH21 1 1
6 908 1 1 7 ARG HH22 H 0.549 4.725 -7.868 1.00 . A A . 9 ARG HH22 1 1
6 909 1 1 7 ARG N N -1.990 0.722 -1.729 1.00 . A A . 9 ARG N 1 1
6 910 1 1 7 ARG NE N -0.693 2.625 -5.852 1.00 . A A . 9 ARG NE 1 1
6 911 1 1 7 ARG NH1 N 1.267 3.895 -5.731 1.00 . A A . 9 ARG NH1 1 1
6 912 1 1 7 ARG NH2 N -0.110 4.050 -7.479 1.00 . A A . 9 ARG NH2 1 1
6 913 1 1 7 ARG O O -0.412 -1.502 -0.754 1.00 . A A . 9 ARG O 1 1
6 914 1 1 8 TRP C C -0.631 -4.841 -1.048 1.00 . A A . 10 TRP C 1 1
6 915 1 1 8 TRP CA C -1.744 -3.928 -0.432 1.00 . A A . 10 TRP CA 1 1
6 916 1 1 8 TRP CB C -3.053 -4.676 -0.075 1.00 . A A . 10 TRP CB 1 1
6 917 1 1 8 TRP CD1 C -2.723 -7.153 0.622 1.00 . A A . 10 TRP CD1 1 1
6 918 1 1 8 TRP CD2 C -2.764 -5.725 2.323 1.00 . A A . 10 TRP CD2 1 1
6 919 1 1 8 TRP CE2 C -2.489 -7.028 2.807 1.00 . A A . 10 TRP CE2 1 1
6 920 1 1 8 TRP CE3 C -2.821 -4.625 3.211 1.00 . A A . 10 TRP CE3 1 1
6 921 1 1 8 TRP CG C -2.895 -5.800 0.950 1.00 . A A . 10 TRP CG 1 1
6 922 1 1 8 TRP CH2 C -2.297 -6.136 5.048 1.00 . A A . 10 TRP CH2 1 1
6 923 1 1 8 TRP CZ2 C -2.249 -7.235 4.186 1.00 . A A . 10 TRP CZ2 1 1
6 924 1 1 8 TRP CZ3 C -2.582 -4.850 4.568 1.00 . A A . 10 TRP CZ3 1 1
6 925 1 1 8 TRP H H -2.710 -3.022 -2.165 1.00 . A A . 10 TRP H 1 1
6 926 1 1 8 TRP HA H -1.372 -3.483 0.515 1.00 . A A . 10 TRP HA 1 1
6 927 1 1 8 TRP HB2 H -3.793 -3.958 0.322 1.00 . A A . 10 TRP HB2 1 1
6 928 1 1 8 TRP HB3 H -3.508 -5.086 -0.994 1.00 . A A . 10 TRP HB3 1 1
6 929 1 1 8 TRP HD1 H -2.715 -7.501 -0.403 1.00 . A A . 10 TRP HD1 1 1
6 930 1 1 8 TRP HE1 H -2.323 -8.956 1.821 1.00 . A A . 10 TRP HE1 1 1
6 931 1 1 8 TRP HE3 H -3.047 -3.635 2.844 1.00 . A A . 10 TRP HE3 1 1
6 932 1 1 8 TRP HH2 H -2.115 -6.281 6.104 1.00 . A A . 10 TRP HH2 1 1
6 933 1 1 8 TRP HZ2 H -2.027 -8.223 4.563 1.00 . A A . 10 TRP HZ2 1 1
6 934 1 1 8 TRP HZ3 H -2.614 -4.020 5.258 1.00 . A A . 10 TRP HZ3 1 1
6 935 1 1 8 TRP N N -2.120 -2.827 -1.354 1.00 . A A . 10 TRP N 1 1
6 936 1 1 8 TRP NE1 N -2.468 -7.942 1.763 1.00 . A A . 10 TRP NE1 1 1
6 937 1 1 8 TRP O O -0.679 -5.238 -2.215 1.00 . A A . 10 TRP O 1 1
6 938 1 1 9 LYS C C 1.213 -7.550 -0.785 1.00 . A A . 11 LYS C 1 1
6 939 1 1 9 LYS CA C 1.519 -6.026 -0.603 1.00 . A A . 11 LYS CA 1 1
6 940 1 1 9 LYS CB C 2.659 -5.793 0.431 1.00 . A A . 11 LYS CB 1 1
6 941 1 1 9 LYS CD C 4.239 -4.110 -0.761 1.00 . A A . 11 LYS CD 1 1
6 942 1 1 9 LYS CE C 4.900 -2.719 -0.743 1.00 . A A . 11 LYS CE 1 1
6 943 1 1 9 LYS CG C 3.327 -4.397 0.455 1.00 . A A . 11 LYS CG 1 1
6 944 1 1 9 LYS H H 0.266 -4.759 0.725 1.00 . A A . 11 LYS H 1 1
6 945 1 1 9 LYS HA H 1.884 -5.682 -1.590 1.00 . A A . 11 LYS HA 1 1
6 946 1 1 9 LYS HB2 H 2.275 -6.015 1.447 1.00 . A A . 11 LYS HB2 1 1
6 947 1 1 9 LYS HB3 H 3.451 -6.547 0.279 1.00 . A A . 11 LYS HB3 1 1
6 948 1 1 9 LYS HD2 H 5.038 -4.875 -0.792 1.00 . A A . 11 LYS HD2 1 1
6 949 1 1 9 LYS HD3 H 3.684 -4.245 -1.710 1.00 . A A . 11 LYS HD3 1 1
6 950 1 1 9 LYS HE2 H 5.404 -2.545 0.230 1.00 . A A . 11 LYS HE2 1 1
6 951 1 1 9 LYS HE3 H 5.704 -2.680 -1.504 1.00 . A A . 11 LYS HE3 1 1
6 952 1 1 9 LYS HG2 H 2.551 -3.613 0.550 1.00 . A A . 11 LYS HG2 1 1
6 953 1 1 9 LYS HG3 H 3.926 -4.307 1.382 1.00 . A A . 11 LYS HG3 1 1
6 954 1 1 9 LYS HZ1 H 2.950 -1.861 -1.321 1.00 . A A . 11 LYS HZ1 1 1
6 955 1 1 9 LYS N N 0.354 -5.182 -0.211 1.00 . A A . 11 LYS N 1 1
6 956 1 1 9 LYS NZ N 3.911 -1.659 -1.029 1.00 . A A . 11 LYS NZ 1 1
6 957 1 1 9 LYS O O 1.573 -8.152 -1.793 1.00 . A A . 11 LYS O 1 1
6 958 1 1 10 NH2 HN1 H 0.131 -7.713 0.886 1.00 . A A . 12 NH2 HN1 1 1
6 959 1 1 10 NH2 HN2 H 0.403 -9.217 -0.141 1.00 . A A . 12 NH2 HN2 1 1
6 960 1 1 10 NH2 N N 0.590 -8.252 0.144 1.00 . A A . 12 NH2 N 1 1
7 961 1 1 1 ACE C C 1.715 -3.984 2.706 1.00 . A A . 3 ACE C 1 1
7 962 1 1 1 ACE CH3 C 2.879 -4.819 3.206 1.00 . A A . 3 ACE CH3 1 1
7 963 1 1 1 ACE H1 H 2.730 -5.886 2.965 1.00 . A A . 3 ACE H1 1 1
7 964 1 1 1 ACE H2 H 3.830 -4.505 2.740 1.00 . A A . 3 ACE H2 1 1
7 965 1 1 1 ACE H3 H 2.987 -4.745 4.304 1.00 . A A . 3 ACE H3 1 1
7 966 1 1 1 ACE O O 0.781 -4.504 2.097 1.00 . A A . 3 ACE O 1 1
7 967 1 1 2 NLE C C 1.488 -0.358 2.174 1.00 . A A . 4 NLE C 1 1
7 968 1 1 2 NLE CA C 0.774 -1.687 2.569 1.00 . A A . 4 NLE CA 1 1
7 969 1 1 2 NLE CB C -0.231 -1.499 3.727 1.00 . A A . 4 NLE CB 1 1
7 970 1 1 2 NLE CD C -2.368 -0.449 4.672 1.00 . A A . 4 NLE CD 1 1
7 971 1 1 2 NLE CE C -3.418 0.655 4.495 1.00 . A A . 4 NLE CE 1 1
7 972 1 1 2 NLE CG C -1.463 -0.615 3.436 1.00 . A A . 4 NLE CG 1 1
7 973 1 1 2 NLE H H 2.649 -2.417 3.491 1.00 . A A . 4 NLE H 1 1
7 974 1 1 2 NLE HA H 0.207 -2.078 1.699 1.00 . A A . 4 NLE HA 1 1
7 975 1 1 2 NLE HB2 H 0.316 -1.089 4.594 1.00 . A A . 4 NLE HB2 1 1
7 976 1 1 2 NLE HB3 H -0.589 -2.496 4.030 1.00 . A A . 4 NLE HB3 1 1
7 977 1 1 2 NLE HD2 H -1.758 -0.204 5.562 1.00 . A A . 4 NLE HD2 1 1
7 978 1 1 2 NLE HD3 H -2.868 -1.408 4.903 1.00 . A A . 4 NLE HD3 1 1
7 979 1 1 2 NLE HE1 H -4.082 0.723 5.376 1.00 . A A . 4 NLE HE1 1 1
7 980 1 1 2 NLE HE2 H -2.946 1.650 4.381 1.00 . A A . 4 NLE HE2 1 1
7 981 1 1 2 NLE HE3 H -4.058 0.487 3.610 1.00 . A A . 4 NLE HE3 1 1
7 982 1 1 2 NLE HG2 H -2.045 -1.021 2.588 1.00 . A A . 4 NLE HG2 1 1
7 983 1 1 2 NLE HG3 H -1.115 0.377 3.109 1.00 . A A . 4 NLE HG3 1 1
7 984 1 1 2 NLE N N 1.803 -2.685 2.978 1.00 . A A . 4 NLE N 1 1
7 985 1 1 2 NLE O O 2.218 0.247 2.965 1.00 . A A . 4 NLE O 1 1
7 986 1 1 3 ASP C C 1.280 2.372 -0.158 1.00 . A A . 5 ASP C 1 1
7 987 1 1 3 ASP CA C 2.115 1.110 0.270 1.00 . A A . 5 ASP CA 1 1
7 988 1 1 3 ASP CB C 2.800 0.483 -0.969 1.00 . A A . 5 ASP CB 1 1
7 989 1 1 3 ASP CG C 3.853 -0.597 -0.674 1.00 . A A . 5 ASP CG 1 1
7 990 1 1 3 ASP H H 0.628 -0.543 0.410 1.00 . A A . 5 ASP H 1 1
7 991 1 1 3 ASP HA H 2.928 1.422 0.953 1.00 . A A . 5 ASP HA 1 1
7 992 1 1 3 ASP HB2 H 2.026 0.126 -1.676 1.00 . A A . 5 ASP HB2 1 1
7 993 1 1 3 ASP HB3 H 3.326 1.284 -1.510 1.00 . A A . 5 ASP HB3 1 1
7 994 1 1 3 ASP N N 1.272 0.073 0.929 1.00 . A A . 5 ASP N 1 1
7 995 1 1 3 ASP O O 0.305 2.193 -0.900 1.00 . A A . 5 ASP O 1 1
7 996 1 1 3 ASP OD1 O 4.846 -0.324 0.000 1.00 . A A . 5 ASP OD1 1 1
7 997 1 1 4 PRO C C 0.746 5.216 -1.644 1.00 . A A . 6 PRO C 1 1
7 998 1 1 4 PRO CA C 0.776 4.837 -0.116 1.00 . A A . 6 PRO CA 1 1
7 999 1 1 4 PRO CB C 1.372 5.940 0.783 1.00 . A A . 6 PRO CB 1 1
7 1000 1 1 4 PRO CD C 2.717 3.971 1.147 1.00 . A A . 6 PRO CD 1 1
7 1001 1 1 4 PRO CG C 2.804 5.494 1.077 1.00 . A A . 6 PRO CG 1 1
7 1002 1 1 4 PRO HA H -0.248 4.648 0.242 1.00 . A A . 6 PRO HA 1 1
7 1003 1 1 4 PRO HB2 H 1.329 6.950 0.332 1.00 . A A . 6 PRO HB2 1 1
7 1004 1 1 4 PRO HB3 H 0.798 6.003 1.729 1.00 . A A . 6 PRO HB3 1 1
7 1005 1 1 4 PRO HD2 H 3.673 3.507 0.841 1.00 . A A . 6 PRO HD2 1 1
7 1006 1 1 4 PRO HD3 H 2.479 3.627 2.175 1.00 . A A . 6 PRO HD3 1 1
7 1007 1 1 4 PRO HG2 H 3.470 5.795 0.244 1.00 . A A . 6 PRO HG2 1 1
7 1008 1 1 4 PRO HG3 H 3.214 5.942 2.000 1.00 . A A . 6 PRO HG3 1 1
7 1009 1 1 4 PRO N N 1.603 3.646 0.236 1.00 . A A . 6 PRO N 1 1
7 1010 1 1 4 PRO O O 1.799 5.109 -2.284 1.00 . A A . 6 PRO O 1 1
7 1011 1 1 5 PRO C C -2.647 4.912 -1.013 1.00 . A A . 7 PRO C 1 1
7 1012 1 1 5 PRO CA C -1.678 6.007 -1.588 1.00 . A A . 7 PRO CA 1 1
7 1013 1 1 5 PRO CB C -2.403 6.843 -2.671 1.00 . A A . 7 PRO CB 1 1
7 1014 1 1 5 PRO CD C -0.348 6.151 -3.670 1.00 . A A . 7 PRO CD 1 1
7 1015 1 1 5 PRO CG C -1.322 7.323 -3.635 1.00 . A A . 7 PRO CG 1 1
7 1016 1 1 5 PRO HA H -1.441 6.685 -0.744 1.00 . A A . 7 PRO HA 1 1
7 1017 1 1 5 PRO HB2 H -3.136 6.229 -3.231 1.00 . A A . 7 PRO HB2 1 1
7 1018 1 1 5 PRO HB3 H -2.978 7.682 -2.233 1.00 . A A . 7 PRO HB3 1 1
7 1019 1 1 5 PRO HD2 H -0.682 5.360 -4.369 1.00 . A A . 7 PRO HD2 1 1
7 1020 1 1 5 PRO HD3 H 0.659 6.478 -4.001 1.00 . A A . 7 PRO HD3 1 1
7 1021 1 1 5 PRO HG2 H -1.720 7.577 -4.635 1.00 . A A . 7 PRO HG2 1 1
7 1022 1 1 5 PRO HG3 H -0.822 8.230 -3.241 1.00 . A A . 7 PRO HG3 1 1
7 1023 1 1 5 PRO N N -0.392 5.651 -2.278 1.00 . A A . 7 PRO N 1 1
7 1024 1 1 5 PRO O O -3.720 5.269 -0.520 1.00 . A A . 7 PRO O 1 1
7 1025 1 1 6 . C C -3.233 1.295 -1.381 1.00 . A A . 8 4J2 C 1 1
7 1026 1 1 6 . CA C -3.086 2.519 -0.421 1.00 . A A . 8 4J2 CA 1 1
7 1027 1 1 6 . CB C -2.491 2.041 0.938 1.00 . A A . 8 4J2 CB 1 1
7 1028 1 1 6 . CD1 C -0.835 3.020 2.578 1.00 . A A . 8 4J2 CD1 1 1
7 1029 1 1 6 . CD2 C -3.015 4.027 2.432 1.00 . A A . 8 4J2 CD2 1 1
7 1030 1 1 6 . CE1 C -0.438 3.946 3.531 1.00 . A A . 8 4J2 CE1 1 1
7 1031 1 1 6 . CE2 C -2.646 4.987 3.376 1.00 . A A . 8 4J2 CE2 1 1
7 1032 1 1 6 . CE3 C -3.524 5.996 3.778 1.00 . A A . 8 4J2 CE3 1 1
7 1033 1 1 6 . CE4 C -3.112 6.948 4.708 1.00 . A A . 8 4J2 CE4 1 1
7 1034 1 1 6 . CG C -2.106 3.065 2.012 1.00 . A A . 8 4J2 CG 1 1
7 1035 1 1 6 . CZ1 C -1.321 4.944 3.934 1.00 . A A . 8 4J2 CZ1 1 1
7 1036 1 1 6 . CZ2 C -0.934 5.910 4.858 1.00 . A A . 8 4J2 CZ2 1 1
7 1037 1 1 6 . CZ3 C -1.827 6.906 5.243 1.00 . A A . 8 4J2 CZ3 1 1
7 1038 1 1 6 . H H -1.303 3.453 -1.269 1.00 . A A . 8 4J2 H 1 1
7 1039 1 1 6 . HA H -4.106 2.871 -0.196 1.00 . A A . 8 4J2 HA 1 1
7 1040 1 1 6 . HB1 H -1.618 1.398 0.741 1.00 . A A . 8 4J2 HB1 1 1
7 1041 1 1 6 . HB2 H -3.220 1.353 1.389 1.00 . A A . 8 4J2 HB2 1 1
7 1042 1 1 6 . HD1 H -0.144 2.266 2.245 1.00 . A A . 8 4J2 HD1 1 1
7 1043 1 1 6 . HD2 H -3.983 4.005 1.960 1.00 . A A . 8 4J2 HD2 1 1
7 1044 1 1 6 . HE1 H 0.563 3.883 3.934 1.00 . A A . 8 4J2 HE1 1 1
7 1045 1 1 6 . HE3 H -4.525 6.055 3.372 1.00 . A A . 8 4J2 HE3 1 1
7 1046 1 1 6 . HE4 H -3.795 7.728 5.013 1.00 . A A . 8 4J2 HE4 1 1
7 1047 1 1 6 . HZ2 H 0.068 5.886 5.266 1.00 . A A . 8 4J2 HZ2 1 1
7 1048 1 1 6 . HZ23 H -1.519 7.655 5.960 1.00 . A A . 8 4J2 HZ23 1 1
7 1049 1 1 6 . N N -2.289 3.617 -1.039 1.00 . A A . 8 4J2 N 1 1
7 1050 1 1 6 . O O -4.343 0.808 -1.603 1.00 . A A . 8 4J2 O 1 1
7 1051 1 1 7 ARG C C -1.567 -1.637 -1.429 1.00 . A A . 9 ARG C 1 1
7 1052 1 1 7 ARG CA C -2.028 -0.589 -2.490 1.00 . A A . 9 ARG CA 1 1
7 1053 1 1 7 ARG CB C -1.024 -0.559 -3.668 1.00 . A A . 9 ARG CB 1 1
7 1054 1 1 7 ARG CD C -0.390 0.300 -6.032 1.00 . A A . 9 ARG CD 1 1
7 1055 1 1 7 ARG CG C -1.434 0.291 -4.898 1.00 . A A . 9 ARG CG 1 1
7 1056 1 1 7 ARG CZ C 0.509 -1.342 -7.698 1.00 . A A . 9 ARG CZ 1 1
7 1057 1 1 7 ARG H H -1.253 1.253 -1.555 1.00 . A A . 9 ARG H 1 1
7 1058 1 1 7 ARG HA H -3.021 -0.877 -2.896 1.00 . A A . 9 ARG HA 1 1
7 1059 1 1 7 ARG HB2 H -0.034 -0.239 -3.294 1.00 . A A . 9 ARG HB2 1 1
7 1060 1 1 7 ARG HB3 H -0.862 -1.596 -4.017 1.00 . A A . 9 ARG HB3 1 1
7 1061 1 1 7 ARG HD2 H -0.657 1.086 -6.766 1.00 . A A . 9 ARG HD2 1 1
7 1062 1 1 7 ARG HD3 H 0.605 0.579 -5.631 1.00 . A A . 9 ARG HD3 1 1
7 1063 1 1 7 ARG HG2 H -2.409 -0.054 -5.295 1.00 . A A . 9 ARG HG2 1 1
7 1064 1 1 7 ARG HG3 H -1.611 1.336 -4.575 1.00 . A A . 9 ARG HG3 1 1
7 1065 1 1 7 ARG HH11 H 1.416 0.392 -7.765 1.00 . A A . 9 ARG HH11 1 1
7 1066 1 1 7 ARG HH12 H 1.999 -0.898 -8.944 1.00 . A A . 9 ARG HH12 1 1
7 1067 1 1 7 ARG HH21 H -0.310 -3.087 -7.730 1.00 . A A . 9 ARG HH21 1 1
7 1068 1 1 7 ARG HH22 H 1.064 -2.799 -8.933 1.00 . A A . 9 ARG HH22 1 1
7 1069 1 1 7 ARG N N -2.100 0.758 -1.872 1.00 . A A . 9 ARG N 1 1
7 1070 1 1 7 ARG NE N -0.335 -1.017 -6.721 1.00 . A A . 9 ARG NE 1 1
7 1071 1 1 7 ARG NH1 N 1.411 -0.535 -8.194 1.00 . A A . 9 ARG NH1 1 1
7 1072 1 1 7 ARG NH2 N 0.423 -2.538 -8.182 1.00 . A A . 9 ARG NH2 1 1
7 1073 1 1 7 ARG O O -0.653 -1.393 -0.629 1.00 . A A . 9 ARG O 1 1
7 1074 1 1 8 TRP C C -0.877 -4.944 -1.275 1.00 . A A . 10 TRP C 1 1
7 1075 1 1 8 TRP CA C -1.821 -3.939 -0.545 1.00 . A A . 10 TRP CA 1 1
7 1076 1 1 8 TRP CB C -3.134 -4.577 -0.033 1.00 . A A . 10 TRP CB 1 1
7 1077 1 1 8 TRP CD1 C -2.940 -7.106 0.520 1.00 . A A . 10 TRP CD1 1 1
7 1078 1 1 8 TRP CD2 C -2.620 -5.765 2.264 1.00 . A A . 10 TRP CD2 1 1
7 1079 1 1 8 TRP CE2 C -2.422 -7.113 2.658 1.00 . A A . 10 TRP CE2 1 1
7 1080 1 1 8 TRP CE3 C -2.423 -4.708 3.185 1.00 . A A . 10 TRP CE3 1 1
7 1081 1 1 8 TRP CG C -2.945 -5.759 0.922 1.00 . A A . 10 TRP CG 1 1
7 1082 1 1 8 TRP CH2 C -1.833 -6.357 4.880 1.00 . A A . 10 TRP CH2 1 1
7 1083 1 1 8 TRP CZ2 C -2.019 -7.410 3.980 1.00 . A A . 10 TRP CZ2 1 1
7 1084 1 1 8 TRP CZ3 C -2.034 -5.027 4.488 1.00 . A A . 10 TRP CZ3 1 1
7 1085 1 1 8 TRP H H -2.716 -3.011 -2.306 1.00 . A A . 10 TRP H 1 1
7 1086 1 1 8 TRP HA H -1.316 -3.534 0.359 1.00 . A A . 10 TRP HA 1 1
7 1087 1 1 8 TRP HB2 H -3.740 -3.811 0.480 1.00 . A A . 10 TRP HB2 1 1
7 1088 1 1 8 TRP HB3 H -3.744 -4.906 -0.893 1.00 . A A . 10 TRP HB3 1 1
7 1089 1 1 8 TRP HD1 H -3.083 -7.403 -0.511 1.00 . A A . 10 TRP HD1 1 1
7 1090 1 1 8 TRP HE1 H -2.509 -8.990 1.567 1.00 . A A . 10 TRP HE1 1 1
7 1091 1 1 8 TRP HE3 H -2.559 -3.680 2.882 1.00 . A A . 10 TRP HE3 1 1
7 1092 1 1 8 TRP HH2 H -1.526 -6.572 5.893 1.00 . A A . 10 TRP HH2 1 1
7 1093 1 1 8 TRP HZ2 H -1.853 -8.432 4.287 1.00 . A A . 10 TRP HZ2 1 1
7 1094 1 1 8 TRP HZ3 H -1.881 -4.234 5.206 1.00 . A A . 10 TRP HZ3 1 1
7 1095 1 1 8 TRP N N -2.186 -2.824 -1.451 1.00 . A A . 10 TRP N 1 1
7 1096 1 1 8 TRP NE1 N -2.625 -7.970 1.588 1.00 . A A . 10 TRP NE1 1 1
7 1097 1 1 8 TRP O O -1.190 -5.495 -2.334 1.00 . A A . 10 TRP O 1 1
7 1098 1 1 9 LYS C C 1.050 -7.561 -0.112 1.00 . A A . 11 LYS C 1 1
7 1099 1 1 9 LYS CA C 1.206 -6.284 -1.002 1.00 . A A . 11 LYS CA 1 1
7 1100 1 1 9 LYS CB C 2.638 -5.684 -0.953 1.00 . A A . 11 LYS CB 1 1
7 1101 1 1 9 LYS CD C 4.355 -4.045 -2.034 1.00 . A A . 11 LYS CD 1 1
7 1102 1 1 9 LYS CE C 4.512 -2.962 -0.944 1.00 . A A . 11 LYS CE 1 1
7 1103 1 1 9 LYS CG C 2.978 -4.745 -2.136 1.00 . A A . 11 LYS CG 1 1
7 1104 1 1 9 LYS H H 0.337 -4.702 0.268 1.00 . A A . 11 LYS H 1 1
7 1105 1 1 9 LYS HA H 1.019 -6.623 -2.042 1.00 . A A . 11 LYS HA 1 1
7 1106 1 1 9 LYS HB2 H 2.791 -5.162 0.012 1.00 . A A . 11 LYS HB2 1 1
7 1107 1 1 9 LYS HB3 H 3.374 -6.506 -0.941 1.00 . A A . 11 LYS HB3 1 1
7 1108 1 1 9 LYS HD2 H 5.137 -4.813 -1.889 1.00 . A A . 11 LYS HD2 1 1
7 1109 1 1 9 LYS HD3 H 4.595 -3.591 -3.014 1.00 . A A . 11 LYS HD3 1 1
7 1110 1 1 9 LYS HE2 H 4.318 -3.385 0.061 1.00 . A A . 11 LYS HE2 1 1
7 1111 1 1 9 LYS HE3 H 5.572 -2.634 -0.920 1.00 . A A . 11 LYS HE3 1 1
7 1112 1 1 9 LYS HG2 H 2.945 -5.331 -3.075 1.00 . A A . 11 LYS HG2 1 1
7 1113 1 1 9 LYS HG3 H 2.185 -3.984 -2.260 1.00 . A A . 11 LYS HG3 1 1
7 1114 1 1 9 LYS HZ1 H 2.743 -1.890 -1.709 1.00 . A A . 11 LYS HZ1 1 1
7 1115 1 1 9 LYS N N 0.256 -5.204 -0.627 1.00 . A A . 11 LYS N 1 1
7 1116 1 1 9 LYS NZ N 3.618 -1.808 -1.184 1.00 . A A . 11 LYS NZ 1 1
7 1117 1 1 9 LYS O O 0.948 -8.676 -0.616 1.00 . A A . 11 LYS O 1 1
7 1118 1 1 10 NH2 HN1 H 0.911 -6.558 1.609 1.00 . A A . 12 NH2 HN1 1 1
7 1119 1 1 10 NH2 HN2 H 0.810 -8.395 1.649 1.00 . A A . 12 NH2 HN2 1 1
7 1120 1 1 10 NH2 N N 1.034 -7.498 1.210 1.00 . A A . 12 NH2 N 1 1
8 1121 1 1 1 ACE C C 1.870 -3.668 2.844 1.00 . A A . 3 ACE C 1 1
8 1122 1 1 1 ACE CH3 C 2.755 -4.697 3.517 1.00 . A A . 3 ACE CH3 1 1
8 1123 1 1 1 ACE H1 H 2.296 -5.081 4.445 1.00 . A A . 3 ACE H1 1 1
8 1124 1 1 1 ACE H2 H 2.914 -5.565 2.851 1.00 . A A . 3 ACE H2 1 1
8 1125 1 1 1 ACE H3 H 3.747 -4.277 3.761 1.00 . A A . 3 ACE H3 1 1
8 1126 1 1 1 ACE O O 1.487 -3.828 1.686 1.00 . A A . 3 ACE O 1 1
8 1127 1 1 2 NLE C C 1.458 -0.283 2.618 1.00 . A A . 4 NLE C 1 1
8 1128 1 1 2 NLE CA C 0.643 -1.531 3.088 1.00 . A A . 4 NLE CA 1 1
8 1129 1 1 2 NLE CB C -0.401 -1.243 4.189 1.00 . A A . 4 NLE CB 1 1
8 1130 1 1 2 NLE CD C -2.775 -0.324 4.717 1.00 . A A . 4 NLE CD 1 1
8 1131 1 1 2 NLE CE C -2.536 0.365 6.067 1.00 . A A . 4 NLE CE 1 1
8 1132 1 1 2 NLE CG C -1.549 -0.293 3.788 1.00 . A A . 4 NLE CG 1 1
8 1133 1 1 2 NLE H H 1.954 -2.601 4.521 1.00 . A A . 4 NLE H 1 1
8 1134 1 1 2 NLE HA H 0.051 -1.926 2.238 1.00 . A A . 4 NLE HA 1 1
8 1135 1 1 2 NLE HB2 H 0.113 -0.840 5.077 1.00 . A A . 4 NLE HB2 1 1
8 1136 1 1 2 NLE HB3 H -0.846 -2.204 4.495 1.00 . A A . 4 NLE HB3 1 1
8 1137 1 1 2 NLE HD2 H -3.116 -1.365 4.870 1.00 . A A . 4 NLE HD2 1 1
8 1138 1 1 2 NLE HD3 H -3.616 0.185 4.210 1.00 . A A . 4 NLE HD3 1 1
8 1139 1 1 2 NLE HE1 H -2.243 1.424 5.935 1.00 . A A . 4 NLE HE1 1 1
8 1140 1 1 2 NLE HE2 H -3.449 0.353 6.689 1.00 . A A . 4 NLE HE2 1 1
8 1141 1 1 2 NLE HE3 H -1.735 -0.133 6.646 1.00 . A A . 4 NLE HE3 1 1
8 1142 1 1 2 NLE HG2 H -1.889 -0.499 2.754 1.00 . A A . 4 NLE HG2 1 1
8 1143 1 1 2 NLE HG3 H -1.146 0.731 3.760 1.00 . A A . 4 NLE HG3 1 1
8 1144 1 1 2 NLE N N 1.541 -2.612 3.585 1.00 . A A . 4 NLE N 1 1
8 1145 1 1 2 NLE O O 2.223 0.328 3.369 1.00 . A A . 4 NLE O 1 1
8 1146 1 1 3 ASP C C 1.269 2.247 0.044 1.00 . A A . 5 ASP C 1 1
8 1147 1 1 3 ASP CA C 2.116 1.043 0.602 1.00 . A A . 5 ASP CA 1 1
8 1148 1 1 3 ASP CB C 2.785 0.303 -0.586 1.00 . A A . 5 ASP CB 1 1
8 1149 1 1 3 ASP CG C 3.944 -0.641 -0.248 1.00 . A A . 5 ASP CG 1 1
8 1150 1 1 3 ASP H H 0.534 -0.501 0.887 1.00 . A A . 5 ASP H 1 1
8 1151 1 1 3 ASP HA H 2.914 1.431 1.265 1.00 . A A . 5 ASP HA 1 1
8 1152 1 1 3 ASP HB2 H 2.022 -0.217 -1.197 1.00 . A A . 5 ASP HB2 1 1
8 1153 1 1 3 ASP HB3 H 3.204 1.053 -1.276 1.00 . A A . 5 ASP HB3 1 1
8 1154 1 1 3 ASP N N 1.275 0.059 1.340 1.00 . A A . 5 ASP N 1 1
8 1155 1 1 3 ASP O O 0.176 2.007 -0.482 1.00 . A A . 5 ASP O 1 1
8 1156 1 1 3 ASP OD1 O 5.091 -0.202 -0.161 1.00 . A A . 5 ASP OD1 1 1
8 1157 1 1 4 PRO C C 0.763 4.736 -2.017 1.00 . A A . 6 PRO C 1 1
8 1158 1 1 4 PRO CA C 0.895 4.680 -0.444 1.00 . A A . 6 PRO CA 1 1
8 1159 1 1 4 PRO CB C 1.637 5.888 0.162 1.00 . A A . 6 PRO CB 1 1
8 1160 1 1 4 PRO CD C 3.001 3.957 0.658 1.00 . A A . 6 PRO CD 1 1
8 1161 1 1 4 PRO CG C 3.094 5.439 0.295 1.00 . A A . 6 PRO CG 1 1
8 1162 1 1 4 PRO HA H -0.109 4.635 0.010 1.00 . A A . 6 PRO HA 1 1
8 1163 1 1 4 PRO HB2 H 1.532 6.814 -0.435 1.00 . A A . 6 PRO HB2 1 1
8 1164 1 1 4 PRO HB3 H 1.223 6.116 1.164 1.00 . A A . 6 PRO HB3 1 1
8 1165 1 1 4 PRO HD2 H 3.852 3.386 0.233 1.00 . A A . 6 PRO HD2 1 1
8 1166 1 1 4 PRO HD3 H 3.004 3.811 1.756 1.00 . A A . 6 PRO HD3 1 1
8 1167 1 1 4 PRO HG2 H 3.616 5.558 -0.676 1.00 . A A . 6 PRO HG2 1 1
8 1168 1 1 4 PRO HG3 H 3.659 6.027 1.042 1.00 . A A . 6 PRO HG3 1 1
8 1169 1 1 4 PRO N N 1.704 3.542 0.087 1.00 . A A . 6 PRO N 1 1
8 1170 1 1 4 PRO O O 1.713 4.322 -2.695 1.00 . A A . 6 PRO O 1 1
8 1171 1 1 5 PRO C C -2.760 4.970 -1.751 1.00 . A A . 7 PRO C 1 1
8 1172 1 1 5 PRO CA C -1.504 5.891 -1.980 1.00 . A A . 7 PRO CA 1 1
8 1173 1 1 5 PRO CB C -1.737 7.049 -2.975 1.00 . A A . 7 PRO CB 1 1
8 1174 1 1 5 PRO CD C -0.365 5.425 -4.123 1.00 . A A . 7 PRO CD 1 1
8 1175 1 1 5 PRO CG C -1.484 6.441 -4.358 1.00 . A A . 7 PRO CG 1 1
8 1176 1 1 5 PRO HA H -1.229 6.337 -1.007 1.00 . A A . 7 PRO HA 1 1
8 1177 1 1 5 PRO HB2 H -2.743 7.502 -2.889 1.00 . A A . 7 PRO HB2 1 1
8 1178 1 1 5 PRO HB3 H -1.015 7.868 -2.782 1.00 . A A . 7 PRO HB3 1 1
8 1179 1 1 5 PRO HD2 H -0.553 4.472 -4.655 1.00 . A A . 7 PRO HD2 1 1
8 1180 1 1 5 PRO HD3 H 0.605 5.818 -4.482 1.00 . A A . 7 PRO HD3 1 1
8 1181 1 1 5 PRO HG2 H -2.394 5.924 -4.716 1.00 . A A . 7 PRO HG2 1 1
8 1182 1 1 5 PRO HG3 H -1.220 7.200 -5.118 1.00 . A A . 7 PRO HG3 1 1
8 1183 1 1 5 PRO N N -0.346 5.231 -2.656 1.00 . A A . 7 PRO N 1 1
8 1184 1 1 5 PRO O O -3.857 5.225 -2.258 1.00 . A A . 7 PRO O 1 1
8 1185 1 1 6 . C C -3.502 1.600 -1.377 1.00 . A A . 8 4J2 C 1 1
8 1186 1 1 6 . CA C -3.656 2.937 -0.586 1.00 . A A . 8 4J2 CA 1 1
8 1187 1 1 6 . CB C -3.801 2.742 0.965 1.00 . A A . 8 4J2 CB 1 1
8 1188 1 1 6 . CD1 C -1.505 2.699 2.055 1.00 . A A . 8 4J2 CD1 1 1
8 1189 1 1 6 . CD2 C -3.013 4.473 2.654 1.00 . A A . 8 4J2 CD2 1 1
8 1190 1 1 6 . CE1 C -0.509 3.242 2.860 1.00 . A A . 8 4J2 CE1 1 1
8 1191 1 1 6 . CE2 C -2.033 5.054 3.461 1.00 . A A . 8 4J2 CE2 1 1
8 1192 1 1 6 . CE3 C -2.272 6.237 4.162 1.00 . A A . 8 4J2 CE3 1 1
8 1193 1 1 6 . CE4 C -1.268 6.797 4.948 1.00 . A A . 8 4J2 CE4 1 1
8 1194 1 1 6 . CG C -2.748 3.309 1.941 1.00 . A A . 8 4J2 CG 1 1
8 1195 1 1 6 . CZ1 C -0.746 4.422 3.562 1.00 . A A . 8 4J2 CZ1 1 1
8 1196 1 1 6 . CZ2 C 0.242 5.005 4.357 1.00 . A A . 8 4J2 CZ2 1 1
8 1197 1 1 6 . CZ3 C -0.021 6.186 5.045 1.00 . A A . 8 4J2 CZ3 1 1
8 1198 1 1 6 . H H -1.639 3.784 -0.592 1.00 . A A . 8 4J2 H 1 1
8 1199 1 1 6 . HA H -4.632 3.334 -0.919 1.00 . A A . 8 4J2 HA 1 1
8 1200 1 1 6 . HB1 H -3.925 1.673 1.203 1.00 . A A . 8 4J2 HB1 1 1
8 1201 1 1 6 . HB2 H -4.783 3.157 1.234 1.00 . A A . 8 4J2 HB2 1 1
8 1202 1 1 6 . HD1 H -1.319 1.792 1.500 1.00 . A A . 8 4J2 HD1 1 1
8 1203 1 1 6 . HD2 H -3.993 4.905 2.553 1.00 . A A . 8 4J2 HD2 1 1
8 1204 1 1 6 . HE1 H 0.447 2.739 2.924 1.00 . A A . 8 4J2 HE1 1 1
8 1205 1 1 6 . HE3 H -3.230 6.734 4.104 1.00 . A A . 8 4J2 HE3 1 1
8 1206 1 1 6 . HE4 H -1.459 7.714 5.488 1.00 . A A . 8 4J2 HE4 1 1
8 1207 1 1 6 . HZ2 H 1.219 4.551 4.452 1.00 . A A . 8 4J2 HZ2 1 1
8 1208 1 1 6 . HZ23 H 0.748 6.632 5.659 1.00 . A A . 8 4J2 HZ23 1 1
8 1209 1 1 6 . N N -2.586 3.909 -0.954 1.00 . A A . 8 4J2 N 1 1
8 1210 1 1 6 . O O -4.366 1.255 -2.188 1.00 . A A . 8 4J2 O 1 1
8 1211 1 1 7 ARG C C -1.540 -1.465 -0.958 1.00 . A A . 9 ARG C 1 1
8 1212 1 1 7 ARG CA C -2.032 -0.344 -1.928 1.00 . A A . 9 ARG CA 1 1
8 1213 1 1 7 ARG CB C -0.907 0.000 -2.946 1.00 . A A . 9 ARG CB 1 1
8 1214 1 1 7 ARG CD C -2.275 0.814 -5.004 1.00 . A A . 9 ARG CD 1 1
8 1215 1 1 7 ARG CG C -1.161 1.122 -3.985 1.00 . A A . 9 ARG CG 1 1
8 1216 1 1 7 ARG CZ C -3.342 2.979 -5.696 1.00 . A A . 9 ARG CZ 1 1
8 1217 1 1 7 ARG H H -1.693 1.372 -0.600 1.00 . A A . 9 ARG H 1 1
8 1218 1 1 7 ARG HA H -2.912 -0.725 -2.485 1.00 . A A . 9 ARG HA 1 1
8 1219 1 1 7 ARG HB2 H 0.003 0.267 -2.379 1.00 . A A . 9 ARG HB2 1 1
8 1220 1 1 7 ARG HB3 H -0.627 -0.920 -3.487 1.00 . A A . 9 ARG HB3 1 1
8 1221 1 1 7 ARG HD2 H -1.990 -0.062 -5.619 1.00 . A A . 9 ARG HD2 1 1
8 1222 1 1 7 ARG HD3 H -3.216 0.515 -4.504 1.00 . A A . 9 ARG HD3 1 1
8 1223 1 1 7 ARG HG2 H -1.382 2.072 -3.460 1.00 . A A . 9 ARG HG2 1 1
8 1224 1 1 7 ARG HG3 H -0.222 1.330 -4.536 1.00 . A A . 9 ARG HG3 1 1
8 1225 1 1 7 ARG HH11 H -4.011 2.336 -3.958 1.00 . A A . 9 ARG HH11 1 1
8 1226 1 1 7 ARG HH12 H -4.682 3.935 -4.566 1.00 . A A . 9 ARG HH12 1 1
8 1227 1 1 7 ARG HH21 H -2.776 3.720 -7.385 1.00 . A A . 9 ARG HH21 1 1
8 1228 1 1 7 ARG HH22 H -4.071 4.661 -6.458 1.00 . A A . 9 ARG HH22 1 1
8 1229 1 1 7 ARG N N -2.402 0.867 -1.148 1.00 . A A . 9 ARG N 1 1
8 1230 1 1 7 ARG NE N -2.489 1.975 -5.907 1.00 . A A . 9 ARG NE 1 1
8 1231 1 1 7 ARG NH1 N -4.113 3.090 -4.646 1.00 . A A . 9 ARG NH1 1 1
8 1232 1 1 7 ARG NH2 N -3.400 3.906 -6.597 1.00 . A A . 9 ARG NH2 1 1
8 1233 1 1 7 ARG O O -0.887 -1.194 0.055 1.00 . A A . 9 ARG O 1 1
8 1234 1 1 8 TRP C C -0.538 -4.894 -1.212 1.00 . A A . 10 TRP C 1 1
8 1235 1 1 8 TRP CA C -1.446 -3.891 -0.428 1.00 . A A . 10 TRP CA 1 1
8 1236 1 1 8 TRP CB C -2.761 -4.511 0.105 1.00 . A A . 10 TRP CB 1 1
8 1237 1 1 8 TRP CD1 C -2.744 -7.073 0.500 1.00 . A A . 10 TRP CD1 1 1
8 1238 1 1 8 TRP CD2 C -2.068 -5.875 2.247 1.00 . A A . 10 TRP CD2 1 1
8 1239 1 1 8 TRP CE2 C -1.903 -7.255 2.524 1.00 . A A . 10 TRP CE2 1 1
8 1240 1 1 8 TRP CE3 C -1.648 -4.897 3.183 1.00 . A A . 10 TRP CE3 1 1
8 1241 1 1 8 TRP CG C -2.584 -5.759 0.973 1.00 . A A . 10 TRP CG 1 1
8 1242 1 1 8 TRP CH2 C -0.892 -6.692 4.647 1.00 . A A . 10 TRP CH2 1 1
8 1243 1 1 8 TRP CZ2 C -1.296 -7.668 3.731 1.00 . A A . 10 TRP CZ2 1 1
8 1244 1 1 8 TRP CZ3 C -1.070 -5.329 4.379 1.00 . A A . 10 TRP CZ3 1 1
8 1245 1 1 8 TRP H H -2.285 -2.884 -2.181 1.00 . A A . 10 TRP H 1 1
8 1246 1 1 8 TRP HA H -0.896 -3.542 0.471 1.00 . A A . 10 TRP HA 1 1
8 1247 1 1 8 TRP HB2 H -3.307 -3.751 0.690 1.00 . A A . 10 TRP HB2 1 1
8 1248 1 1 8 TRP HB3 H -3.419 -4.759 -0.745 1.00 . A A . 10 TRP HB3 1 1
8 1249 1 1 8 TRP HD1 H -3.045 -7.289 -0.517 1.00 . A A . 10 TRP HD1 1 1
8 1250 1 1 8 TRP HE1 H -2.317 -9.047 1.372 1.00 . A A . 10 TRP HE1 1 1
8 1251 1 1 8 TRP HE3 H -1.764 -3.843 2.972 1.00 . A A . 10 TRP HE3 1 1
8 1252 1 1 8 TRP HH2 H -0.425 -6.996 5.573 1.00 . A A . 10 TRP HH2 1 1
8 1253 1 1 8 TRP HZ2 H -1.133 -8.716 3.925 1.00 . A A . 10 TRP HZ2 1 1
8 1254 1 1 8 TRP HZ3 H -0.742 -4.598 5.104 1.00 . A A . 10 TRP HZ3 1 1
8 1255 1 1 8 TRP N N -1.824 -2.736 -1.281 1.00 . A A . 10 TRP N 1 1
8 1256 1 1 8 TRP NE1 N -2.338 -8.025 1.456 1.00 . A A . 10 TRP NE1 1 1
8 1257 1 1 8 TRP O O -0.896 -5.424 -2.268 1.00 . A A . 10 TRP O 1 1
8 1258 1 1 9 LYS C C 1.266 -7.592 -0.334 1.00 . A A . 11 LYS C 1 1
8 1259 1 1 9 LYS CA C 1.554 -6.246 -1.072 1.00 . A A . 11 LYS CA 1 1
8 1260 1 1 9 LYS CB C 2.995 -5.727 -0.806 1.00 . A A . 11 LYS CB 1 1
8 1261 1 1 9 LYS CD C 4.758 -3.860 -1.250 1.00 . A A . 11 LYS CD 1 1
8 1262 1 1 9 LYS CE C 4.638 -3.005 0.035 1.00 . A A . 11 LYS CE 1 1
8 1263 1 1 9 LYS CG C 3.480 -4.588 -1.736 1.00 . A A . 11 LYS CG 1 1
8 1264 1 1 9 LYS H H 0.770 -4.670 0.268 1.00 . A A . 11 LYS H 1 1
8 1265 1 1 9 LYS HA H 1.452 -6.417 -2.164 1.00 . A A . 11 LYS HA 1 1
8 1266 1 1 9 LYS HB2 H 3.076 -5.422 0.255 1.00 . A A . 11 LYS HB2 1 1
8 1267 1 1 9 LYS HB3 H 3.706 -6.566 -0.893 1.00 . A A . 11 LYS HB3 1 1
8 1268 1 1 9 LYS HD2 H 5.567 -4.602 -1.112 1.00 . A A . 11 LYS HD2 1 1
8 1269 1 1 9 LYS HD3 H 5.121 -3.204 -2.065 1.00 . A A . 11 LYS HD3 1 1
8 1270 1 1 9 LYS HE2 H 4.362 -3.644 0.895 1.00 . A A . 11 LYS HE2 1 1
8 1271 1 1 9 LYS HE3 H 5.634 -2.599 0.303 1.00 . A A . 11 LYS HE3 1 1
8 1272 1 1 9 LYS HG2 H 3.659 -5.003 -2.748 1.00 . A A . 11 LYS HG2 1 1
8 1273 1 1 9 LYS HG3 H 2.675 -3.843 -1.883 1.00 . A A . 11 LYS HG3 1 1
8 1274 1 1 9 LYS HZ1 H 2.622 -2.125 -0.123 1.00 . A A . 11 LYS HZ1 1 1
8 1275 1 1 9 LYS N N 0.611 -5.197 -0.605 1.00 . A A . 11 LYS N 1 1
8 1276 1 1 9 LYS NZ N 3.628 -1.931 -0.107 1.00 . A A . 11 LYS NZ 1 1
8 1277 1 1 9 LYS O O 1.808 -7.916 0.721 1.00 . A A . 11 LYS O 1 1
8 1278 1 1 10 NH2 HN1 H -0.244 -8.035 -1.545 1.00 . A A . 12 NH2 HN1 1 1
8 1279 1 1 10 NH2 HN2 H 0.198 -9.214 -0.212 1.00 . A A . 12 NH2 HN2 1 1
8 1280 1 1 10 NH2 N N 0.389 -8.433 -0.845 1.00 . A A . 12 NH2 N 1 1
9 1281 1 1 1 ACE C C 1.365 -4.193 3.132 1.00 . A A . 3 ACE C 1 1
9 1282 1 1 1 ACE CH3 C 2.295 -5.008 4.011 1.00 . A A . 3 ACE CH3 1 1
9 1283 1 1 1 ACE H1 H 3.354 -4.828 3.750 1.00 . A A . 3 ACE H1 1 1
9 1284 1 1 1 ACE H2 H 2.151 -4.773 5.081 1.00 . A A . 3 ACE H2 1 1
9 1285 1 1 1 ACE H3 H 2.100 -6.088 3.885 1.00 . A A . 3 ACE H3 1 1
9 1286 1 1 1 ACE O O 0.589 -4.750 2.359 1.00 . A A . 3 ACE O 1 1
9 1287 1 1 2 NLE C C 1.405 -0.630 2.141 1.00 . A A . 4 NLE C 1 1
9 1288 1 1 2 NLE CA C 0.594 -1.903 2.547 1.00 . A A . 4 NLE CA 1 1
9 1289 1 1 2 NLE CB C -0.599 -1.589 3.480 1.00 . A A . 4 NLE CB 1 1
9 1290 1 1 2 NLE CD C -2.933 -0.561 3.848 1.00 . A A . 4 NLE CD 1 1
9 1291 1 1 2 NLE CE C -2.675 0.455 4.973 1.00 . A A . 4 NLE CE 1 1
9 1292 1 1 2 NLE CG C -1.744 -0.746 2.887 1.00 . A A . 4 NLE CG 1 1
9 1293 1 1 2 NLE H H 2.109 -2.567 4.002 1.00 . A A . 4 NLE H 1 1
9 1294 1 1 2 NLE HA H 0.192 -2.380 1.629 1.00 . A A . 4 NLE HA 1 1
9 1295 1 1 2 NLE HB2 H -0.216 -1.090 4.388 1.00 . A A . 4 NLE HB2 1 1
9 1296 1 1 2 NLE HB3 H -1.033 -2.544 3.816 1.00 . A A . 4 NLE HB3 1 1
9 1297 1 1 2 NLE HD2 H -3.230 -1.537 4.277 1.00 . A A . 4 NLE HD2 1 1
9 1298 1 1 2 NLE HD3 H -3.809 -0.223 3.265 1.00 . A A . 4 NLE HD3 1 1
9 1299 1 1 2 NLE HE1 H -2.429 1.458 4.576 1.00 . A A . 4 NLE HE1 1 1
9 1300 1 1 2 NLE HE2 H -3.566 0.575 5.619 1.00 . A A . 4 NLE HE2 1 1
9 1301 1 1 2 NLE HE3 H -1.840 0.148 5.629 1.00 . A A . 4 NLE HE3 1 1
9 1302 1 1 2 NLE HG2 H -2.110 -1.199 1.946 1.00 . A A . 4 NLE HG2 1 1
9 1303 1 1 2 NLE HG3 H -1.351 0.238 2.592 1.00 . A A . 4 NLE HG3 1 1
9 1304 1 1 2 NLE N N 1.470 -2.871 3.264 1.00 . A A . 4 NLE N 1 1
9 1305 1 1 2 NLE O O 2.147 -0.050 2.940 1.00 . A A . 4 NLE O 1 1
9 1306 1 1 3 ASP C C 1.271 2.128 -0.159 1.00 . A A . 5 ASP C 1 1
9 1307 1 1 3 ASP CA C 2.090 0.848 0.252 1.00 . A A . 5 ASP CA 1 1
9 1308 1 1 3 ASP CB C 2.768 0.246 -1.007 1.00 . A A . 5 ASP CB 1 1
9 1309 1 1 3 ASP CG C 3.973 -0.682 -0.768 1.00 . A A . 5 ASP CG 1 1
9 1310 1 1 3 ASP H H 0.481 -0.681 0.378 1.00 . A A . 5 ASP H 1 1
9 1311 1 1 3 ASP HA H 2.902 1.140 0.943 1.00 . A A . 5 ASP HA 1 1
9 1312 1 1 3 ASP HB2 H 1.999 -0.237 -1.639 1.00 . A A . 5 ASP HB2 1 1
9 1313 1 1 3 ASP HB3 H 3.156 1.075 -1.621 1.00 . A A . 5 ASP HB3 1 1
9 1314 1 1 3 ASP N N 1.243 -0.205 0.881 1.00 . A A . 5 ASP N 1 1
9 1315 1 1 3 ASP O O 0.246 1.976 -0.838 1.00 . A A . 5 ASP O 1 1
9 1316 1 1 3 ASP OD1 O 4.747 -0.484 0.170 1.00 . A A . 5 ASP OD1 1 1
9 1317 1 1 4 PRO C C 0.864 4.773 -1.924 1.00 . A A . 6 PRO C 1 1
9 1318 1 1 4 PRO CA C 1.043 4.631 -0.365 1.00 . A A . 6 PRO CA 1 1
9 1319 1 1 4 PRO CB C 1.954 5.746 0.188 1.00 . A A . 6 PRO CB 1 1
9 1320 1 1 4 PRO CD C 2.760 3.681 1.137 1.00 . A A . 6 PRO CD 1 1
9 1321 1 1 4 PRO CG C 2.585 5.167 1.451 1.00 . A A . 6 PRO CG 1 1
9 1322 1 1 4 PRO HA H 0.061 4.686 0.139 1.00 . A A . 6 PRO HA 1 1
9 1323 1 1 4 PRO HB2 H 2.756 6.001 -0.533 1.00 . A A . 6 PRO HB2 1 1
9 1324 1 1 4 PRO HB3 H 1.399 6.683 0.386 1.00 . A A . 6 PRO HB3 1 1
9 1325 1 1 4 PRO HD2 H 3.755 3.476 0.699 1.00 . A A . 6 PRO HD2 1 1
9 1326 1 1 4 PRO HD3 H 2.657 3.075 2.060 1.00 . A A . 6 PRO HD3 1 1
9 1327 1 1 4 PRO HG2 H 3.539 5.659 1.717 1.00 . A A . 6 PRO HG2 1 1
9 1328 1 1 4 PRO HG3 H 1.905 5.305 2.312 1.00 . A A . 6 PRO HG3 1 1
9 1329 1 1 4 PRO N N 1.700 3.394 0.150 1.00 . A A . 6 PRO N 1 1
9 1330 1 1 4 PRO O O 1.780 4.371 -2.653 1.00 . A A . 6 PRO O 1 1
9 1331 1 1 5 PRO C C -2.493 5.001 -1.107 1.00 . A A . 7 PRO C 1 1
9 1332 1 1 5 PRO CA C -1.386 5.938 -1.720 1.00 . A A . 7 PRO CA 1 1
9 1333 1 1 5 PRO CB C -1.944 6.901 -2.791 1.00 . A A . 7 PRO CB 1 1
9 1334 1 1 5 PRO CD C -0.373 5.500 -3.952 1.00 . A A . 7 PRO CD 1 1
9 1335 1 1 5 PRO CG C -1.726 6.186 -4.127 1.00 . A A . 7 PRO CG 1 1
9 1336 1 1 5 PRO HA H -1.001 6.552 -0.883 1.00 . A A . 7 PRO HA 1 1
9 1337 1 1 5 PRO HB2 H -3.003 7.180 -2.630 1.00 . A A . 7 PRO HB2 1 1
9 1338 1 1 5 PRO HB3 H -1.374 7.851 -2.778 1.00 . A A . 7 PRO HB3 1 1
9 1339 1 1 5 PRO HD2 H -0.323 4.535 -4.492 1.00 . A A . 7 PRO HD2 1 1
9 1340 1 1 5 PRO HD3 H 0.449 6.138 -4.333 1.00 . A A . 7 PRO HD3 1 1
9 1341 1 1 5 PRO HG2 H -2.520 5.430 -4.291 1.00 . A A . 7 PRO HG2 1 1
9 1342 1 1 5 PRO HG3 H -1.747 6.875 -4.993 1.00 . A A . 7 PRO HG3 1 1
9 1343 1 1 5 PRO N N -0.255 5.324 -2.488 1.00 . A A . 7 PRO N 1 1
9 1344 1 1 5 PRO O O -3.557 5.489 -0.721 1.00 . A A . 7 PRO O 1 1
9 1345 1 1 6 . C C -3.469 1.501 -1.242 1.00 . A A . 8 4J2 C 1 1
9 1346 1 1 6 . CA C -3.155 2.719 -0.315 1.00 . A A . 8 4J2 CA 1 1
9 1347 1 1 6 . CB C -2.569 2.210 1.034 1.00 . A A . 8 4J2 CB 1 1
9 1348 1 1 6 . CD1 C -0.764 3.008 2.617 1.00 . A A . 8 4J2 CD1 1 1
9 1349 1 1 6 . CD2 C -2.792 4.296 2.460 1.00 . A A . 8 4J2 CD2 1 1
9 1350 1 1 6 . CE1 C -0.228 3.912 3.523 1.00 . A A . 8 4J2 CE1 1 1
9 1351 1 1 6 . CE2 C -2.273 5.242 3.347 1.00 . A A . 8 4J2 CE2 1 1
9 1352 1 1 6 . CE3 C -2.993 6.382 3.705 1.00 . A A . 8 4J2 CE3 1 1
9 1353 1 1 6 . CE4 C -2.431 7.321 4.566 1.00 . A A . 8 4J2 CE4 1 1
9 1354 1 1 6 . CG C -2.031 3.201 2.074 1.00 . A A . 8 4J2 CG 1 1
9 1355 1 1 6 . CZ1 C -0.953 5.046 3.883 1.00 . A A . 8 4J2 CZ1 1 1
9 1356 1 1 6 . CZ2 C -0.410 6.005 4.736 1.00 . A A . 8 4J2 CZ2 1 1
9 1357 1 1 6 . CZ3 C -1.148 7.135 5.076 1.00 . A A . 8 4J2 CZ3 1 1
9 1358 1 1 6 . H H -1.268 3.418 -1.169 1.00 . A A . 8 4J2 H 1 1
9 1359 1 1 6 . HA H -4.116 3.199 -0.068 1.00 . A A . 8 4J2 HA 1 1
9 1360 1 1 6 . HB1 H -1.770 1.489 0.804 1.00 . A A . 8 4J2 HB1 1 1
9 1361 1 1 6 . HB2 H -3.344 1.605 1.526 1.00 . A A . 8 4J2 HB2 1 1
9 1362 1 1 6 . HD1 H -0.186 2.158 2.302 1.00 . A A . 8 4J2 HD1 1 1
9 1363 1 1 6 . HD2 H -3.764 4.382 2.003 1.00 . A A . 8 4J2 HD2 1 1
9 1364 1 1 6 . HE1 H 0.764 3.731 3.915 1.00 . A A . 8 4J2 HE1 1 1
9 1365 1 1 6 . HE3 H -3.987 6.556 3.314 1.00 . A A . 8 4J2 HE3 1 1
9 1366 1 1 6 . HE4 H -2.992 8.204 4.836 1.00 . A A . 8 4J2 HE4 1 1
9 1367 1 1 6 . HZ2 H 0.595 5.881 5.120 1.00 . A A . 8 4J2 HZ2 1 1
9 1368 1 1 6 . HZ23 H -0.720 7.876 5.736 1.00 . A A . 8 4J2 HZ23 1 1
9 1369 1 1 6 . N N -2.235 3.691 -0.966 1.00 . A A . 8 4J2 N 1 1
9 1370 1 1 6 . O O -4.634 1.149 -1.437 1.00 . A A . 8 4J2 O 1 1
9 1371 1 1 7 ARG C C -1.927 -1.593 -1.315 1.00 . A A . 9 ARG C 1 1
9 1372 1 1 7 ARG CA C -2.508 -0.542 -2.313 1.00 . A A . 9 ARG CA 1 1
9 1373 1 1 7 ARG CB C -1.730 -0.565 -3.656 1.00 . A A . 9 ARG CB 1 1
9 1374 1 1 7 ARG CD C -3.755 -0.081 -5.271 1.00 . A A . 9 ARG CD 1 1
9 1375 1 1 7 ARG CG C -2.315 0.263 -4.834 1.00 . A A . 9 ARG CG 1 1
9 1376 1 1 7 ARG CZ C -4.988 -2.113 -6.065 1.00 . A A . 9 ARG CZ 1 1
9 1377 1 1 7 ARG H H -1.510 1.233 -1.465 1.00 . A A . 9 ARG H 1 1
9 1378 1 1 7 ARG HA H -3.565 -0.807 -2.518 1.00 . A A . 9 ARG HA 1 1
9 1379 1 1 7 ARG HB2 H -0.681 -0.261 -3.477 1.00 . A A . 9 ARG HB2 1 1
9 1380 1 1 7 ARG HB3 H -1.651 -1.613 -3.996 1.00 . A A . 9 ARG HB3 1 1
9 1381 1 1 7 ARG HD2 H -4.456 0.094 -4.429 1.00 . A A . 9 ARG HD2 1 1
9 1382 1 1 7 ARG HD3 H -4.071 0.619 -6.070 1.00 . A A . 9 ARG HD3 1 1
9 1383 1 1 7 ARG HG2 H -2.271 1.337 -4.573 1.00 . A A . 9 ARG HG2 1 1
9 1384 1 1 7 ARG HG3 H -1.647 0.160 -5.711 1.00 . A A . 9 ARG HG3 1 1
9 1385 1 1 7 ARG HH11 H -6.177 -0.620 -5.625 1.00 . A A . 9 ARG HH11 1 1
9 1386 1 1 7 ARG HH12 H -6.974 -2.174 -6.212 1.00 . A A . 9 ARG HH12 1 1
9 1387 1 1 7 ARG HH21 H -3.922 -3.649 -6.538 1.00 . A A . 9 ARG HH21 1 1
9 1388 1 1 7 ARG HH22 H -5.753 -3.829 -6.715 1.00 . A A . 9 ARG HH22 1 1
9 1389 1 1 7 ARG N N -2.416 0.822 -1.737 1.00 . A A . 9 ARG N 1 1
9 1390 1 1 7 ARG NE N -3.855 -1.477 -5.773 1.00 . A A . 9 ARG NE 1 1
9 1391 1 1 7 ARG NH1 N -6.181 -1.586 -5.955 1.00 . A A . 9 ARG NH1 1 1
9 1392 1 1 7 ARG NH2 N -4.893 -3.333 -6.483 1.00 . A A . 9 ARG NH2 1 1
9 1393 1 1 7 ARG O O -0.986 -1.323 -0.557 1.00 . A A . 9 ARG O 1 1
9 1394 1 1 8 TRP C C -0.776 -4.661 -1.251 1.00 . A A . 10 TRP C 1 1
9 1395 1 1 8 TRP CA C -1.954 -3.938 -0.519 1.00 . A A . 10 TRP CA 1 1
9 1396 1 1 8 TRP CB C -3.143 -4.864 -0.167 1.00 . A A . 10 TRP CB 1 1
9 1397 1 1 8 TRP CD1 C -2.421 -7.303 0.346 1.00 . A A . 10 TRP CD1 1 1
9 1398 1 1 8 TRP CD2 C -2.554 -5.993 2.137 1.00 . A A . 10 TRP CD2 1 1
9 1399 1 1 8 TRP CE2 C -2.057 -7.265 2.516 1.00 . A A . 10 TRP CE2 1 1
9 1400 1 1 8 TRP CE3 C -2.668 -4.950 3.090 1.00 . A A . 10 TRP CE3 1 1
9 1401 1 1 8 TRP CG C -2.778 -6.014 0.775 1.00 . A A . 10 TRP CG 1 1
9 1402 1 1 8 TRP CH2 C -1.784 -6.463 4.783 1.00 . A A . 10 TRP CH2 1 1
9 1403 1 1 8 TRP CZ2 C -1.661 -7.500 3.853 1.00 . A A . 10 TRP CZ2 1 1
9 1404 1 1 8 TRP CZ3 C -2.282 -5.209 4.407 1.00 . A A . 10 TRP CZ3 1 1
9 1405 1 1 8 TRP H H -3.040 -3.028 -2.165 1.00 . A A . 10 TRP H 1 1
9 1406 1 1 8 TRP HA H -1.597 -3.525 0.450 1.00 . A A . 10 TRP HA 1 1
9 1407 1 1 8 TRP HB2 H -3.947 -4.275 0.308 1.00 . A A . 10 TRP HB2 1 1
9 1408 1 1 8 TRP HB3 H -3.586 -5.272 -1.093 1.00 . A A . 10 TRP HB3 1 1
9 1409 1 1 8 TRP HD1 H -2.407 -7.577 -0.700 1.00 . A A . 10 TRP HD1 1 1
9 1410 1 1 8 TRP HE1 H -1.611 -9.064 1.382 1.00 . A A . 10 TRP HE1 1 1
9 1411 1 1 8 TRP HE3 H -3.029 -3.973 2.800 1.00 . A A . 10 TRP HE3 1 1
9 1412 1 1 8 TRP HH2 H -1.483 -6.631 5.807 1.00 . A A . 10 TRP HH2 1 1
9 1413 1 1 8 TRP HZ2 H -1.263 -8.459 4.148 1.00 . A A . 10 TRP HZ2 1 1
9 1414 1 1 8 TRP HZ3 H -2.358 -4.424 5.146 1.00 . A A . 10 TRP HZ3 1 1
9 1415 1 1 8 TRP N N -2.475 -2.821 -1.339 1.00 . A A . 10 TRP N 1 1
9 1416 1 1 8 TRP NE1 N -1.976 -8.106 1.416 1.00 . A A . 10 TRP NE1 1 1
9 1417 1 1 8 TRP O O -0.843 -5.014 -2.433 1.00 . A A . 10 TRP O 1 1
9 1418 1 1 9 LYS C C 1.730 -6.965 -0.414 1.00 . A A . 11 LYS C 1 1
9 1419 1 1 9 LYS CA C 1.551 -5.507 -0.952 1.00 . A A . 11 LYS CA 1 1
9 1420 1 1 9 LYS CB C 2.662 -4.505 -0.532 1.00 . A A . 11 LYS CB 1 1
9 1421 1 1 9 LYS CD C 5.143 -3.790 -0.682 1.00 . A A . 11 LYS CD 1 1
9 1422 1 1 9 LYS CE C 5.301 -2.583 -1.638 1.00 . A A . 11 LYS CE 1 1
9 1423 1 1 9 LYS CG C 4.070 -4.842 -1.052 1.00 . A A . 11 LYS CG 1 1
9 1424 1 1 9 LYS H H 0.171 -4.614 0.497 1.00 . A A . 11 LYS H 1 1
9 1425 1 1 9 LYS HA H 1.560 -5.575 -2.059 1.00 . A A . 11 LYS HA 1 1
9 1426 1 1 9 LYS HB2 H 2.390 -3.493 -0.889 1.00 . A A . 11 LYS HB2 1 1
9 1427 1 1 9 LYS HB3 H 2.700 -4.414 0.571 1.00 . A A . 11 LYS HB3 1 1
9 1428 1 1 9 LYS HD2 H 4.996 -3.429 0.354 1.00 . A A . 11 LYS HD2 1 1
9 1429 1 1 9 LYS HD3 H 6.120 -4.306 -0.652 1.00 . A A . 11 LYS HD3 1 1
9 1430 1 1 9 LYS HE2 H 6.223 -2.029 -1.371 1.00 . A A . 11 LYS HE2 1 1
9 1431 1 1 9 LYS HE3 H 5.491 -2.951 -2.664 1.00 . A A . 11 LYS HE3 1 1
9 1432 1 1 9 LYS HG2 H 4.363 -5.819 -0.624 1.00 . A A . 11 LYS HG2 1 1
9 1433 1 1 9 LYS HG3 H 4.031 -5.001 -2.144 1.00 . A A . 11 LYS HG3 1 1
9 1434 1 1 9 LYS HZ1 H 3.408 -1.715 -2.375 1.00 . A A . 11 LYS HZ1 1 1
9 1435 1 1 9 LYS N N 0.293 -4.876 -0.487 1.00 . A A . 11 LYS N 1 1
9 1436 1 1 9 LYS NZ N 4.145 -1.656 -1.668 1.00 . A A . 11 LYS NZ 1 1
9 1437 1 1 9 LYS O O 1.974 -7.896 -1.176 1.00 . A A . 11 LYS O 1 1
9 1438 1 1 10 NH2 HN1 H 1.269 -6.502 1.476 1.00 . A A . 12 NH2 HN1 1 1
9 1439 1 1 10 NH2 HN2 H 1.694 -8.251 1.076 1.00 . A A . 12 NH2 HN2 1 1
9 1440 1 1 10 NH2 N N 1.645 -7.249 0.876 1.00 . A A . 12 NH2 N 1 1
10 1441 1 1 1 ACE C C 1.337 -3.672 2.862 1.00 . A A . 3 ACE C 1 1
10 1442 1 1 1 ACE CH3 C 2.052 -4.578 3.847 1.00 . A A . 3 ACE CH3 1 1
10 1443 1 1 1 ACE H1 H 2.352 -5.523 3.362 1.00 . A A . 3 ACE H1 1 1
10 1444 1 1 1 ACE H2 H 2.969 -4.108 4.243 1.00 . A A . 3 ACE H2 1 1
10 1445 1 1 1 ACE H3 H 1.395 -4.837 4.697 1.00 . A A . 3 ACE H3 1 1
10 1446 1 1 1 ACE O O 1.046 -4.075 1.736 1.00 . A A . 3 ACE O 1 1
10 1447 1 1 2 NLE C C 1.280 -0.271 2.061 1.00 . A A . 4 NLE C 1 1
10 1448 1 1 2 NLE CA C 0.333 -1.419 2.532 1.00 . A A . 4 NLE CA 1 1
10 1449 1 1 2 NLE CB C -0.890 -0.940 3.358 1.00 . A A . 4 NLE CB 1 1
10 1450 1 1 2 NLE CD C -1.847 -0.055 5.613 1.00 . A A . 4 NLE CD 1 1
10 1451 1 1 2 NLE CE C -2.932 0.947 5.204 1.00 . A A . 4 NLE CE 1 1
10 1452 1 1 2 NLE CG C -0.650 -0.107 4.647 1.00 . A A . 4 NLE CG 1 1
10 1453 1 1 2 NLE H H 1.266 -2.303 4.310 1.00 . A A . 4 NLE H 1 1
10 1454 1 1 2 NLE HA H -0.106 -1.897 1.631 1.00 . A A . 4 NLE HA 1 1
10 1455 1 1 2 NLE HB2 H -1.482 -1.836 3.602 1.00 . A A . 4 NLE HB2 1 1
10 1456 1 1 2 NLE HB3 H -1.553 -0.366 2.696 1.00 . A A . 4 NLE HB3 1 1
10 1457 1 1 2 NLE HD2 H -1.479 0.226 6.618 1.00 . A A . 4 NLE HD2 1 1
10 1458 1 1 2 NLE HD3 H -2.284 -1.065 5.740 1.00 . A A . 4 NLE HD3 1 1
10 1459 1 1 2 NLE HE1 H -3.345 0.730 4.202 1.00 . A A . 4 NLE HE1 1 1
10 1460 1 1 2 NLE HE2 H -3.777 0.943 5.917 1.00 . A A . 4 NLE HE2 1 1
10 1461 1 1 2 NLE HE3 H -2.536 1.979 5.185 1.00 . A A . 4 NLE HE3 1 1
10 1462 1 1 2 NLE HG2 H -0.316 0.915 4.391 1.00 . A A . 4 NLE HG2 1 1
10 1463 1 1 2 NLE HG3 H 0.205 -0.524 5.198 1.00 . A A . 4 NLE HG3 1 1
10 1464 1 1 2 NLE N N 1.052 -2.454 3.323 1.00 . A A . 4 NLE N 1 1
10 1465 1 1 2 NLE O O 1.951 0.383 2.866 1.00 . A A . 4 NLE O 1 1
10 1466 1 1 3 ASP C C 1.402 2.293 -0.298 1.00 . A A . 5 ASP C 1 1
10 1467 1 1 3 ASP CA C 2.197 1.003 0.123 1.00 . A A . 5 ASP CA 1 1
10 1468 1 1 3 ASP CB C 2.874 0.385 -1.124 1.00 . A A . 5 ASP CB 1 1
10 1469 1 1 3 ASP CG C 3.930 -0.694 -0.844 1.00 . A A . 5 ASP CG 1 1
10 1470 1 1 3 ASP H H 0.686 -0.619 0.182 1.00 . A A . 5 ASP H 1 1
10 1471 1 1 3 ASP HA H 3.001 1.278 0.833 1.00 . A A . 5 ASP HA 1 1
10 1472 1 1 3 ASP HB2 H 2.096 0.033 -1.831 1.00 . A A . 5 ASP HB2 1 1
10 1473 1 1 3 ASP HB3 H 3.401 1.185 -1.669 1.00 . A A . 5 ASP HB3 1 1
10 1474 1 1 3 ASP N N 1.307 -0.018 0.745 1.00 . A A . 5 ASP N 1 1
10 1475 1 1 3 ASP O O 0.341 2.139 -0.917 1.00 . A A . 5 ASP O 1 1
10 1476 1 1 3 ASP OD1 O 4.881 -0.453 -0.102 1.00 . A A . 5 ASP OD1 1 1
10 1477 1 1 4 PRO C C 0.778 5.045 -1.871 1.00 . A A . 6 PRO C 1 1
10 1478 1 1 4 PRO CA C 1.037 4.782 -0.339 1.00 . A A . 6 PRO CA 1 1
10 1479 1 1 4 PRO CB C 1.829 5.903 0.367 1.00 . A A . 6 PRO CB 1 1
10 1480 1 1 4 PRO CD C 3.058 3.866 0.752 1.00 . A A . 6 PRO CD 1 1
10 1481 1 1 4 PRO CG C 3.251 5.362 0.518 1.00 . A A . 6 PRO CG 1 1
10 1482 1 1 4 PRO HA H 0.076 4.691 0.192 1.00 . A A . 6 PRO HA 1 1
10 1483 1 1 4 PRO HB2 H 1.804 6.870 -0.174 1.00 . A A . 6 PRO HB2 1 1
10 1484 1 1 4 PRO HB3 H 1.395 6.097 1.367 1.00 . A A . 6 PRO HB3 1 1
10 1485 1 1 4 PRO HD2 H 3.940 3.292 0.413 1.00 . A A . 6 PRO HD2 1 1
10 1486 1 1 4 PRO HD3 H 2.897 3.645 1.828 1.00 . A A . 6 PRO HD3 1 1
10 1487 1 1 4 PRO HG2 H 3.821 5.529 -0.417 1.00 . A A . 6 PRO HG2 1 1
10 1488 1 1 4 PRO HG3 H 3.815 5.853 1.335 1.00 . A A . 6 PRO HG3 1 1
10 1489 1 1 4 PRO N N 1.835 3.562 -0.016 1.00 . A A . 6 PRO N 1 1
10 1490 1 1 4 PRO O O 1.725 4.886 -2.652 1.00 . A A . 6 PRO O 1 1
10 1491 1 1 5 PRO C C -2.639 4.755 -1.059 1.00 . A A . 7 PRO C 1 1
10 1492 1 1 5 PRO CA C -1.607 5.857 -1.515 1.00 . A A . 7 PRO CA 1 1
10 1493 1 1 5 PRO CB C -2.211 6.929 -2.450 1.00 . A A . 7 PRO CB 1 1
10 1494 1 1 5 PRO CD C -0.643 5.706 -3.797 1.00 . A A . 7 PRO CD 1 1
10 1495 1 1 5 PRO CG C -2.011 6.378 -3.864 1.00 . A A . 7 PRO CG 1 1
10 1496 1 1 5 PRO HA H -1.268 6.373 -0.597 1.00 . A A . 7 PRO HA 1 1
10 1497 1 1 5 PRO HB2 H -3.271 7.161 -2.232 1.00 . A A . 7 PRO HB2 1 1
10 1498 1 1 5 PRO HB3 H -1.662 7.885 -2.337 1.00 . A A . 7 PRO HB3 1 1
10 1499 1 1 5 PRO HD2 H -0.605 4.781 -4.406 1.00 . A A . 7 PRO HD2 1 1
10 1500 1 1 5 PRO HD3 H 0.149 6.383 -4.174 1.00 . A A . 7 PRO HD3 1 1
10 1501 1 1 5 PRO HG2 H -2.792 5.628 -4.097 1.00 . A A . 7 PRO HG2 1 1
10 1502 1 1 5 PRO HG3 H -2.067 7.161 -4.644 1.00 . A A . 7 PRO HG3 1 1
10 1503 1 1 5 PRO N N -0.447 5.423 -2.359 1.00 . A A . 7 PRO N 1 1
10 1504 1 1 5 PRO O O -3.854 4.969 -1.085 1.00 . A A . 7 PRO O 1 1
10 1505 1 1 6 . C C -3.249 1.363 -0.966 1.00 . A A . 8 4J2 C 1 1
10 1506 1 1 6 . CA C -2.977 2.529 0.037 1.00 . A A . 8 4J2 CA 1 1
10 1507 1 1 6 . CB C -2.307 1.991 1.339 1.00 . A A . 8 4J2 CB 1 1
10 1508 1 1 6 . CD1 C -0.395 3.058 2.615 1.00 . A A . 8 4J2 CD1 1 1
10 1509 1 1 6 . CD2 C -2.629 3.838 3.038 1.00 . A A . 8 4J2 CD2 1 1
10 1510 1 1 6 . CE1 C 0.130 3.989 3.497 1.00 . A A . 8 4J2 CE1 1 1
10 1511 1 1 6 . CE2 C -2.139 4.793 3.931 1.00 . A A . 8 4J2 CE2 1 1
10 1512 1 1 6 . CE3 C -2.987 5.673 4.605 1.00 . A A . 8 4J2 CE3 1 1
10 1513 1 1 6 . CE4 C -2.457 6.619 5.480 1.00 . A A . 8 4J2 CE4 1 1
10 1514 1 1 6 . CG C -1.762 2.988 2.369 1.00 . A A . 8 4J2 CG 1 1
10 1515 1 1 6 . CZ1 C -0.720 4.872 4.158 1.00 . A A . 8 4J2 CZ1 1 1
10 1516 1 1 6 . CZ2 C -0.216 5.828 5.034 1.00 . A A . 8 4J2 CZ2 1 1
10 1517 1 1 6 . CZ3 C -1.083 6.698 5.692 1.00 . A A . 8 4J2 CZ3 1 1
10 1518 1 1 6 . H H -1.137 3.477 -0.650 1.00 . A A . 8 4J2 H 1 1
10 1519 1 1 6 . HA H -3.952 2.941 0.352 1.00 . A A . 8 4J2 HA 1 1
10 1520 1 1 6 . HB1 H -1.492 1.298 1.070 1.00 . A A . 8 4J2 HB1 1 1
10 1521 1 1 6 . HB2 H -3.039 1.344 1.846 1.00 . A A . 8 4J2 HB2 1 1
10 1522 1 1 6 . HD1 H 0.257 2.376 2.109 1.00 . A A . 8 4J2 HD1 1 1
10 1523 1 1 6 . HD2 H -3.672 3.692 2.830 1.00 . A A . 8 4J2 HD2 1 1
10 1524 1 1 6 . HE1 H 1.199 4.011 3.657 1.00 . A A . 8 4J2 HE1 1 1
10 1525 1 1 6 . HE3 H -4.057 5.637 4.455 1.00 . A A . 8 4J2 HE3 1 1
10 1526 1 1 6 . HE4 H -3.119 7.300 5.997 1.00 . A A . 8 4J2 HE4 1 1
10 1527 1 1 6 . HZ2 H 0.852 5.893 5.195 1.00 . A A . 8 4J2 HZ2 1 1
10 1528 1 1 6 . HZ23 H -0.685 7.439 6.371 1.00 . A A . 8 4J2 HZ23 1 1
10 1529 1 1 6 . N N -2.152 3.603 -0.576 1.00 . A A . 8 4J2 N 1 1
10 1530 1 1 6 . O O -4.402 1.043 -1.261 1.00 . A A . 8 4J2 O 1 1
10 1531 1 1 7 ARG C C -1.529 -1.663 -1.543 1.00 . A A . 9 ARG C 1 1
10 1532 1 1 7 ARG CA C -2.230 -0.492 -2.303 1.00 . A A . 9 ARG CA 1 1
10 1533 1 1 7 ARG CB C -1.542 -0.219 -3.666 1.00 . A A . 9 ARG CB 1 1
10 1534 1 1 7 ARG CD C -3.529 0.863 -4.967 1.00 . A A . 9 ARG CD 1 1
10 1535 1 1 7 ARG CG C -2.060 0.974 -4.513 1.00 . A A . 9 ARG CG 1 1
10 1536 1 1 7 ARG CZ C -4.541 3.161 -4.937 1.00 . A A . 9 ARG CZ 1 1
10 1537 1 1 7 ARG H H -1.282 1.194 -1.229 1.00 . A A . 9 ARG H 1 1
10 1538 1 1 7 ARG HA H -3.285 -0.774 -2.500 1.00 . A A . 9 ARG HA 1 1
10 1539 1 1 7 ARG HB2 H -0.461 -0.078 -3.485 1.00 . A A . 9 ARG HB2 1 1
10 1540 1 1 7 ARG HB3 H -1.600 -1.138 -4.274 1.00 . A A . 9 ARG HB3 1 1
10 1541 1 1 7 ARG HD2 H -3.632 0.049 -5.710 1.00 . A A . 9 ARG HD2 1 1
10 1542 1 1 7 ARG HD3 H -4.199 0.570 -4.134 1.00 . A A . 9 ARG HD3 1 1
10 1543 1 1 7 ARG HG2 H -1.919 1.913 -3.939 1.00 . A A . 9 ARG HG2 1 1
10 1544 1 1 7 ARG HG3 H -1.420 1.103 -5.407 1.00 . A A . 9 ARG HG3 1 1
10 1545 1 1 7 ARG HH11 H -4.473 2.345 -3.148 1.00 . A A . 9 ARG HH11 1 1
10 1546 1 1 7 ARG HH12 H -5.159 4.045 -3.252 1.00 . A A . 9 ARG HH12 1 1
10 1547 1 1 7 ARG HH21 H -4.675 4.072 -6.633 1.00 . A A . 9 ARG HH21 1 1
10 1548 1 1 7 ARG HH22 H -5.327 4.972 -5.154 1.00 . A A . 9 ARG HH22 1 1
10 1549 1 1 7 ARG N N -2.172 0.725 -1.458 1.00 . A A . 9 ARG N 1 1
10 1550 1 1 7 ARG NE N -3.982 2.136 -5.586 1.00 . A A . 9 ARG NE 1 1
10 1551 1 1 7 ARG NH1 N -4.765 3.189 -3.648 1.00 . A A . 9 ARG NH1 1 1
10 1552 1 1 7 ARG NH2 N -4.877 4.195 -5.638 1.00 . A A . 9 ARG NH2 1 1
10 1553 1 1 7 ARG O O -0.452 -1.503 -0.956 1.00 . A A . 9 ARG O 1 1
10 1554 1 1 8 TRP C C -0.748 -4.944 -1.453 1.00 . A A . 10 TRP C 1 1
10 1555 1 1 8 TRP CA C -1.714 -3.982 -0.693 1.00 . A A . 10 TRP CA 1 1
10 1556 1 1 8 TRP CB C -2.991 -4.683 -0.168 1.00 . A A . 10 TRP CB 1 1
10 1557 1 1 8 TRP CD1 C -2.654 -7.186 0.437 1.00 . A A . 10 TRP CD1 1 1
10 1558 1 1 8 TRP CD2 C -2.396 -5.789 2.145 1.00 . A A . 10 TRP CD2 1 1
10 1559 1 1 8 TRP CE2 C -2.115 -7.112 2.570 1.00 . A A . 10 TRP CE2 1 1
10 1560 1 1 8 TRP CE3 C -2.252 -4.700 3.037 1.00 . A A . 10 TRP CE3 1 1
10 1561 1 1 8 TRP CG C -2.731 -5.835 0.808 1.00 . A A . 10 TRP CG 1 1
10 1562 1 1 8 TRP CH2 C -1.548 -6.266 4.765 1.00 . A A . 10 TRP CH2 1 1
10 1563 1 1 8 TRP CZ2 C -1.681 -7.351 3.894 1.00 . A A . 10 TRP CZ2 1 1
10 1564 1 1 8 TRP CZ3 C -1.831 -4.960 4.342 1.00 . A A . 10 TRP CZ3 1 1
10 1565 1 1 8 TRP H H -2.860 -2.980 -2.265 1.00 . A A . 10 TRP H 1 1
10 1566 1 1 8 TRP HA H -1.207 -3.577 0.210 1.00 . A A . 10 TRP HA 1 1
10 1567 1 1 8 TRP HB2 H -3.637 -3.945 0.340 1.00 . A A . 10 TRP HB2 1 1
10 1568 1 1 8 TRP HB3 H -3.583 -5.058 -1.021 1.00 . A A . 10 TRP HB3 1 1
10 1569 1 1 8 TRP HD1 H -2.786 -7.510 -0.586 1.00 . A A . 10 TRP HD1 1 1
10 1570 1 1 8 TRP HE1 H -2.095 -9.016 1.518 1.00 . A A . 10 TRP HE1 1 1
10 1571 1 1 8 TRP HE3 H -2.456 -3.694 2.704 1.00 . A A . 10 TRP HE3 1 1
10 1572 1 1 8 TRP HH2 H -1.218 -6.435 5.781 1.00 . A A . 10 TRP HH2 1 1
10 1573 1 1 8 TRP HZ2 H -1.452 -8.355 4.225 1.00 . A A . 10 TRP HZ2 1 1
10 1574 1 1 8 TRP HZ3 H -1.715 -4.138 5.034 1.00 . A A . 10 TRP HZ3 1 1
10 1575 1 1 8 TRP N N -2.154 -2.849 -1.539 1.00 . A A . 10 TRP N 1 1
10 1576 1 1 8 TRP NE1 N -2.279 -8.006 1.521 1.00 . A A . 10 TRP NE1 1 1
10 1577 1 1 8 TRP O O -1.055 -5.487 -2.518 1.00 . A A . 10 TRP O 1 1
10 1578 1 1 9 LYS C C 1.204 -7.505 -0.203 1.00 . A A . 11 LYS C 1 1
10 1579 1 1 9 LYS CA C 1.339 -6.279 -1.165 1.00 . A A . 11 LYS CA 1 1
10 1580 1 1 9 LYS CB C 2.769 -5.673 -1.177 1.00 . A A . 11 LYS CB 1 1
10 1581 1 1 9 LYS CD C 4.462 -4.088 -2.359 1.00 . A A . 11 LYS CD 1 1
10 1582 1 1 9 LYS CE C 4.673 -3.005 -1.276 1.00 . A A . 11 LYS CE 1 1
10 1583 1 1 9 LYS CG C 3.080 -4.782 -2.403 1.00 . A A . 11 LYS CG 1 1
10 1584 1 1 9 LYS H H 0.488 -4.655 0.065 1.00 . A A . 11 LYS H 1 1
10 1585 1 1 9 LYS HA H 1.124 -6.669 -2.181 1.00 . A A . 11 LYS HA 1 1
10 1586 1 1 9 LYS HB2 H 2.941 -5.112 -0.238 1.00 . A A . 11 LYS HB2 1 1
10 1587 1 1 9 LYS HB3 H 3.508 -6.493 -1.148 1.00 . A A . 11 LYS HB3 1 1
10 1588 1 1 9 LYS HD2 H 5.248 -4.860 -2.245 1.00 . A A . 11 LYS HD2 1 1
10 1589 1 1 9 LYS HD3 H 4.665 -3.638 -3.349 1.00 . A A . 11 LYS HD3 1 1
10 1590 1 1 9 LYS HE2 H 4.542 -3.432 -0.263 1.00 . A A . 11 LYS HE2 1 1
10 1591 1 1 9 LYS HE3 H 5.726 -2.661 -1.312 1.00 . A A . 11 LYS HE3 1 1
10 1592 1 1 9 LYS HG2 H 3.017 -5.399 -3.320 1.00 . A A . 11 LYS HG2 1 1
10 1593 1 1 9 LYS HG3 H 2.287 -4.019 -2.528 1.00 . A A . 11 LYS HG3 1 1
10 1594 1 1 9 LYS HZ1 H 2.898 -1.929 -2.019 1.00 . A A . 11 LYS HZ1 1 1
10 1595 1 1 9 LYS N N 0.389 -5.192 -0.807 1.00 . A A . 11 LYS N 1 1
10 1596 1 1 9 LYS NZ N 3.755 -1.862 -1.464 1.00 . A A . 11 LYS NZ 1 1
10 1597 1 1 9 LYS O O 0.968 -8.630 -0.636 1.00 . A A . 11 LYS O 1 1
10 1598 1 1 10 NH2 HN1 H 1.115 -8.236 1.618 1.00 . A A . 12 NH2 HN1 1 1
10 1599 1 1 10 NH2 HN2 H 1.343 -6.418 1.464 1.00 . A A . 12 NH2 HN2 1 1
10 1600 1 1 10 NH2 N N 1.345 -7.380 1.108 1.00 . A A . 12 NH2 N 1 1
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