NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
639094 |
6mk8   |
30524 | cing | 4-filtered-FRED | STAR | entry | full | 91 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6mk8
# This FRED archive file contains, for PDB entry <6mk8>:
#
# - 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_6mk8
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6mk8
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1340.74
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 $Anti_Staphylococcal_peptide_DFT503 A . 1 1
stop_
save_
save_Anti_Staphylococcal_peptide_DFT503
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Anti Staphylococcal peptide DFT503"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code GLSLLLSLGLKLLX
_Entity.Number_of_monomers 14
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 GLY . 1 1
2 LEU . 1 1
3 SER . 1 1
4 LEU . 1 1
5 LEU . 1 1
6 LEU . 1 1
7 SER . 1 1
8 LEU . 1 1
9 GLY . 1 1
10 LEU . 1 1
11 LYS . 1 1
12 LEU . 1 1
13 LEU . 1 1
14 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
GLY 1 1 1 1
LEU 2 2 1 1
SER 3 3 1 1
LEU 4 4 1 1
LEU 5 5 1 1
LEU 6 6 1 1
SER 7 7 1 1
LEU 8 8 1 1
GLY 9 9 1 1
LEU 10 10 1 1
LYS 11 11 1 1
LEU 12 12 1 1
LEU 13 13 1 1
NH2 14 14 1 1
stop_
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_CNS/XPLOR_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
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 GLY HA2 . 1 . HA2 1 1
1 1 2 1 1 2 LEU H . 2 . HN 1 1
2 1 1 1 1 1 GLY HA3 . 1 . HA1 1 1
2 1 2 1 1 2 LEU H . 2 . HN 1 1
3 1 1 1 1 2 LEU H . 2 . HN 1 1
3 1 2 1 1 2 LEU QB . 2 . HB# 1 1
4 1 1 1 1 2 LEU H . 2 . HN 1 1
4 1 2 1 1 2 LEU MD1 . 2 . HD1# 1 1
5 1 1 1 1 2 LEU H . 2 . HN 1 1
5 1 2 1 1 2 LEU MD2 . 2 . HD2# 1 1
6 1 1 1 1 2 LEU H . 2 . HN 1 1
6 1 2 1 1 2 LEU HG . 2 . HG 1 1
7 1 1 1 1 2 LEU H . 2 . HN 1 1
7 1 2 1 1 3 SER H . 3 . HN 1 1
8 1 1 1 1 2 LEU HA . 2 . HA 1 1
8 1 2 1 1 3 SER H . 3 . HN 1 1
9 1 1 1 1 2 LEU HA . 2 . HA 1 1
9 1 2 1 1 5 LEU H . 5 . HN 1 1
10 1 1 1 1 2 LEU QB . 2 . HB# 1 1
10 1 2 1 1 3 SER H . 3 . HN 1 1
11 1 1 1 1 2 LEU MD2 . 2 . HD2# 1 1
11 1 2 1 1 3 SER H . 3 . HN 1 1
12 1 1 1 1 2 LEU HG . 2 . HG 1 1
12 1 2 1 1 3 SER H . 3 . HN 1 1
13 1 1 1 1 3 SER H . 3 . HN 1 1
13 1 2 1 1 3 SER QB . 3 . HB# 1 1
14 1 1 1 1 3 SER H . 3 . HN 1 1
14 1 2 1 1 4 LEU H . 4 . HN 1 1
15 1 1 1 1 3 SER H . 3 . HN 1 1
15 1 2 1 1 5 LEU H . 5 . HN 1 1
16 1 1 1 1 3 SER HA . 3 . HA 1 1
16 1 2 1 1 4 LEU H . 4 . HN 1 1
17 1 1 1 1 3 SER HA . 3 . HA 1 1
17 1 2 1 1 5 LEU H . 5 . HN 1 1
18 1 1 1 1 3 SER QB . 3 . HB# 1 1
18 1 2 1 1 4 LEU H . 4 . HN 1 1
19 1 1 1 1 4 LEU H . 4 . HN 1 1
19 1 2 1 1 4 LEU HB2 . 4 . HB2 1 1
20 1 1 1 1 4 LEU H . 4 . HN 1 1
20 1 2 1 1 4 LEU HB3 . 4 . HB1 1 1
21 1 1 1 1 4 LEU H . 4 . HN 1 1
21 1 2 1 1 5 LEU H . 5 . HN 1 1
22 1 1 1 1 4 LEU H . 4 . HN 1 1
22 1 2 1 1 6 LEU H . 6 . HN 1 1
23 1 1 1 1 4 LEU HA . 4 . HA 1 1
23 1 2 1 1 5 LEU H . 5 . HN 1 1
24 1 1 1 1 4 LEU HA . 4 . HA 1 1
24 1 2 1 1 6 LEU H . 6 . HN 1 1
25 1 1 1 1 4 LEU HB2 . 4 . HB2 1 1
25 1 2 1 1 5 LEU H . 5 . HN 1 1
26 1 1 1 1 5 LEU H . 5 . HN 1 1
26 1 2 1 1 5 LEU HB3 . 5 . HB1 1 1
27 1 1 1 1 5 LEU H . 5 . HN 1 1
27 1 2 1 1 6 LEU H . 6 . HN 1 1
28 1 1 1 1 5 LEU HA . 5 . HA 1 1
28 1 2 1 1 8 LEU H . 8 . HN 1 1
29 1 1 1 1 5 LEU HB2 . 5 . HB2 1 1
29 1 2 1 1 6 LEU H . 6 . HN 1 1
30 1 1 1 1 5 LEU HB3 . 5 . HB1 1 1
30 1 2 1 1 6 LEU H . 6 . HN 1 1
31 1 1 1 1 6 LEU H . 6 . HN 1 1
31 1 2 1 1 6 LEU QB . 6 . HB# 1 1
32 1 1 1 1 6 LEU HA . 6 . HA 1 1
32 1 2 1 1 9 GLY H . 9 . HN 1 1
33 1 1 1 1 7 SER H . 7 . HN 1 1
33 1 2 1 1 8 LEU H . 8 . HN 1 1
34 1 1 1 1 7 SER HA . 7 . HA 1 1
34 1 2 1 1 10 LEU H . 10 . HN 1 1
35 1 1 1 1 8 LEU H . 8 . HN 1 1
35 1 2 1 1 8 LEU QB . 8 . HB# 1 1
36 1 1 1 1 8 LEU H . 8 . HN 1 1
36 1 2 1 1 8 LEU HG . 8 . HG 1 1
37 1 1 1 1 8 LEU H . 8 . HN 1 1
37 1 2 1 1 9 GLY H . 9 . HN 1 1
38 1 1 1 1 8 LEU HA . 8 . HA 1 1
38 1 2 1 1 9 GLY H . 9 . HN 1 1
39 1 1 1 1 8 LEU HA . 8 . HA 1 1
39 1 2 1 1 11 LYS H . 11 . HN 1 1
40 1 1 1 1 8 LEU QB . 8 . HB# 1 1
40 1 2 1 1 9 GLY H . 9 . HN 1 1
41 1 1 1 1 8 LEU HG . 8 . HG 1 1
41 1 2 1 1 9 GLY H . 9 . HN 1 1
42 1 1 1 1 9 GLY H . 9 . HN 1 1
42 1 2 1 1 10 LEU H . 10 . HN 1 1
43 1 1 1 1 9 GLY H . 9 . HN 1 1
43 1 2 1 1 11 LYS H . 11 . HN 1 1
44 1 1 1 1 9 GLY H . 9 . HN 1 1
44 1 2 1 1 12 LEU H . 12 . HN 1 1
45 1 1 1 1 9 GLY QA . 9 . HA# 1 1
45 1 2 1 1 10 LEU H . 10 . HN 1 1
46 1 1 1 1 9 GLY QA . 9 . HA# 1 1
46 1 2 1 1 12 LEU H . 12 . HN 1 1
47 1 1 1 1 9 GLY QA . 9 . HA# 1 1
47 1 2 1 1 12 LEU QB . 12 . HB# 1 1
48 1 1 1 1 9 GLY QA . 9 . HA# 1 1
48 1 2 1 1 12 LEU QD . 12 . HD* 1 1
49 1 1 1 1 9 GLY QA . 9 . HA# 1 1
49 1 2 1 1 12 LEU HG . 12 . HG 1 1
50 1 1 1 1 10 LEU H . 10 . HN 1 1
50 1 2 1 1 10 LEU QB . 10 . HB# 1 1
51 1 1 1 1 10 LEU H . 10 . HN 1 1
51 1 2 1 1 10 LEU HG . 10 . HG 1 1
52 1 1 1 1 10 LEU H . 10 . HN 1 1
52 1 2 1 1 11 LYS H . 11 . HN 1 1
53 1 1 1 1 10 LEU H . 10 . HN 1 1
53 1 2 1 1 11 LYS QB . 11 . HB# 1 1
54 1 1 1 1 10 LEU H . 10 . HN 1 1
54 1 2 1 1 12 LEU H . 12 . HN 1 1
55 1 1 1 1 10 LEU HA . 10 . HA 1 1
55 1 2 1 1 12 LEU H . 12 . HN 1 1
56 1 1 1 1 10 LEU QB . 10 . HB# 1 1
56 1 2 1 1 11 LYS H . 11 . HN 1 1
57 1 1 1 1 10 LEU HG . 10 . HG 1 1
57 1 2 1 1 11 LYS H . 11 . HN 1 1
58 1 1 1 1 11 LYS H . 11 . HN 1 1
58 1 2 1 1 11 LYS QB . 11 . HB# 1 1
59 1 1 1 1 11 LYS H . 11 . HN 1 1
59 1 2 1 1 11 LYS QD . 11 . HD# 1 1
60 1 1 1 1 11 LYS H . 11 . HN 1 1
60 1 2 1 1 11 LYS HG2 . 11 . HG2 1 1
61 1 1 1 1 11 LYS H . 11 . HN 1 1
61 1 2 1 1 12 LEU H . 12 . HN 1 1
62 1 1 1 1 11 LYS QB . 11 . HB# 1 1
62 1 2 1 1 12 LEU H . 12 . HN 1 1
63 1 1 1 1 11 LYS HG3 . 11 . HG1 1 1
63 1 2 1 1 11 LYS QZ . 11 . HZ# 1 1
64 1 1 1 1 12 LEU H . 12 . HN 1 1
64 1 2 1 1 12 LEU QB . 12 . HB# 1 1
65 1 1 1 1 12 LEU H . 12 . HN 1 1
65 1 2 1 1 12 LEU QD . 12 . HD* 1 1
66 1 1 1 1 12 LEU H . 12 . HN 1 1
66 1 2 1 1 12 LEU HG . 12 . HG 1 1
67 1 1 1 1 13 LEU H . 13 . HN 1 1
67 1 2 1 1 13 LEU QB . 13 . HB# 1 1
68 1 1 1 1 13 LEU H . 13 . HN 1 1
68 1 2 1 1 13 LEU QD . 13 . HD* 1 1
69 1 1 1 1 13 LEU H . 13 . HN 1 1
69 1 2 1 1 13 LEU HG . 13 . HG 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 . . . . . 3.0 1.8 3.5 1 1
2 1 . . . . . 3.0 1.8 3.5 1 1
3 1 . . . . . 3.0 1.8 5.0 1 1
4 1 . . . . . 3.0 1.8 4.5 1 1
5 1 . . . . . 3.0 1.8 4.5 1 1
6 1 . . . . . 3.0 1.8 3.8 1 1
7 1 . . . . . 3.0 1.8 3.5 1 1
8 1 . . . . . 3.0 1.8 3.5 1 1
9 1 . . . . . 4.0 1.8 5.0 1 1
10 1 . . . . . 3.0 1.8 5.0 1 1
11 1 . . . . . 3.0 1.8 4.5 1 1
12 1 . . . . . 3.0 1.8 3.8 1 1
13 1 . . . . . 3.0 1.8 5.0 1 1
14 1 . . . . . 3.0 1.8 3.5 1 1
15 1 . . . . . 4.0 1.8 6.0 1 1
16 1 . . . . . 3.0 1.8 3.5 1 1
17 1 . . . . . 4.0 1.8 5.0 1 1
18 1 . . . . . 3.0 1.8 5.0 1 1
19 1 . . . . . 3.0 1.8 3.8 1 1
20 1 . . . . . 3.0 1.8 3.8 1 1
21 1 . . . . . 3.0 1.8 3.5 1 1
22 1 . . . . . 4.0 1.8 5.0 1 1
23 1 . . . . . 3.0 1.8 3.8 1 1
24 1 . . . . . 4.0 1.8 5.0 1 1
25 1 . . . . . 3.0 1.8 3.8 1 1
26 1 . . . . . 3.0 1.8 3.8 1 1
27 1 . . . . . 3.0 1.8 3.5 1 1
28 1 . . . . . 3.0 1.8 3.8 1 1
29 1 . . . . . 3.0 1.8 3.8 1 1
30 1 . . . . . 3.0 1.8 3.8 1 1
31 1 . . . . . 3.0 1.8 5.0 1 1
32 1 . . . . . 3.0 1.8 3.8 1 1
33 1 . . . . . 4.0 1.8 5.0 1 1
34 1 . . . . . 3.0 1.8 3.8 1 1
35 1 . . . . . 3.0 1.8 5.0 1 1
36 1 . . . . . 3.0 1.8 3.8 1 1
37 1 . . . . . 3.0 1.8 3.5 1 1
38 1 . . . . . 3.0 1.8 3.8 1 1
39 1 . . . . . 3.0 1.8 3.8 1 1
40 1 . . . . . 3.0 1.8 5.0 1 1
41 1 . . . . . 3.0 1.8 3.8 1 1
42 1 . . . . . 3.0 1.8 3.5 1 1
43 1 . . . . . 4.0 1.8 6.0 1 1
44 1 . . . . . 4.0 1.8 5.0 1 1
45 1 . . . . . 3.0 1.8 5.0 1 1
46 1 . . . . . 4.0 1.8 6.5 1 1
47 1 . . . . . 3.0 1.8 5.3 1 1
48 1 . . . . . 3.0 1.8 5.8 1 1
49 1 . . . . . 4.0 1.8 6.5 1 1
50 1 . . . . . 3.0 1.8 5.0 1 1
51 1 . . . . . 3.0 1.8 3.8 1 1
52 1 . . . . . 3.0 1.8 3.5 1 1
53 1 . . . . . 4.0 1.8 7.5 1 1
54 1 . . . . . 4.0 1.8 6.0 1 1
55 1 . . . . . 3.0 1.8 3.8 1 1
56 1 . . . . . 3.0 1.8 5.0 1 1
57 1 . . . . . 3.0 1.8 3.8 1 1
58 1 . . . . . 3.0 1.8 5.0 1 1
59 1 . . . . . 3.0 1.8 5.0 1 1
60 1 . . . . . 3.0 1.8 4.8 1 1
61 1 . . . . . 3.0 1.8 3.5 1 1
62 1 . . . . . 3.0 1.8 5.0 1 1
63 1 . . . . . 4.0 1.8 6.5 1 1
64 1 . . . . . 3.0 1.8 5.0 1 1
65 1 . . . . . 3.0 1.8 5.5 1 1
66 1 . . . . . 3.0 1.8 3.8 1 1
67 1 . . . . . 3.0 1.8 5.0 1 1
68 1 . . . . . 3.0 1.8 5.5 1 1
69 1 . . . . . 3.0 1.8 3.8 1 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 1 GLY C 1 1 2 LEU N 1 1 2 LEU CA 1 1 2 LEU C -69.0 -49.0 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1
2 . 1 1 2 LEU N 1 1 2 LEU CA 1 1 2 LEU C 1 1 3 SER N -53.999996 -14.0 . 2 . N . 2 . CA . 2 . C . 3 . N 1 1
3 . 1 1 2 LEU C 1 1 3 SER N 1 1 3 SER CA 1 1 3 SER C -71.0 -50.999996 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
4 . 1 1 3 SER N 1 1 3 SER CA 1 1 3 SER C 1 1 4 LEU N -50.0 -30.0 . 3 . N . 3 . CA . 3 . C . 4 . N 1 1
5 . 1 1 3 SER C 1 1 4 LEU N 1 1 4 LEU CA 1 1 4 LEU C -75.0 -55.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1
6 . 1 1 4 LEU N 1 1 4 LEU CA 1 1 4 LEU C 1 1 5 LEU N -44.0 -23.999998 . 4 . N . 4 . CA . 4 . C . 5 . N 1 1
7 . 1 1 4 LEU C 1 1 5 LEU N 1 1 5 LEU CA 1 1 5 LEU C -74.0 -53.999996 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1
8 . 1 1 5 LEU N 1 1 5 LEU CA 1 1 5 LEU C 1 1 6 LEU N -50.999996 -30.999998 . 5 . N . 5 . CA . 5 . C . 6 . N 1 1
9 . 1 1 5 LEU C 1 1 6 LEU N 1 1 6 LEU CA 1 1 6 LEU C -73.0 -53.0 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
10 . 1 1 6 LEU N 1 1 6 LEU CA 1 1 6 LEU C 1 1 7 SER N -49.0 -29.0 . 6 . N . 6 . CA . 6 . C . 7 . N 1 1
11 . 1 1 6 LEU C 1 1 7 SER N 1 1 7 SER CA 1 1 7 SER C -72.0 -52.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1
12 . 1 1 7 SER N 1 1 7 SER CA 1 1 7 SER C 1 1 8 LEU N -53.999996 -34.0 . 7 . N . 7 . CA . 7 . C . 8 . N 1 1
13 . 1 1 7 SER C 1 1 8 LEU N 1 1 8 LEU CA 1 1 8 LEU C -74.0 -53.999996 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1
14 . 1 1 8 LEU N 1 1 8 LEU CA 1 1 8 LEU C 1 1 9 GLY N -49.0 -29.0 . 8 . N . 8 . CA . 8 . C . 9 . N 1 1
15 . 1 1 8 LEU C 1 1 9 GLY N 1 1 9 GLY CA 1 1 9 GLY C -73.0 -53.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1
16 . 1 1 9 GLY N 1 1 9 GLY CA 1 1 9 GLY C 1 1 10 LEU N -50.0 -30.0 . 9 . N . 9 . CA . 9 . C . 10 . N 1 1
17 . 1 1 9 GLY C 1 1 10 LEU N 1 1 10 LEU CA 1 1 10 LEU C -76.0 -56.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1
18 . 1 1 10 LEU N 1 1 10 LEU CA 1 1 10 LEU C 1 1 11 LYS N -60.0 -20.0 . 10 . N . 10 . CA . 10 . C . 11 . N 1 1
19 . 1 1 10 LEU C 1 1 11 LYS N 1 1 11 LYS CA 1 1 11 LYS C -72.0 -52.0 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1
20 . 1 1 11 LYS N 1 1 11 LYS CA 1 1 11 LYS C 1 1 12 LEU N -49.0 -29.0 . 11 . N . 11 . CA . 11 . C . 12 . N 1 1
21 . 1 1 11 LYS C 1 1 12 LEU N 1 1 12 LEU CA 1 1 12 LEU C -81.0 -60.999996 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1
22 . 1 1 12 LEU N 1 1 12 LEU CA 1 1 12 LEU C 1 1 13 LEU N -56.0 -16.0 . 12 . N . 12 . CA . 12 . C . 13 . N 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 GLY C C -9.702 0.067 0.757 1.00 . A A . 1 GLY C 1 1
1 2 1 1 1 GLY CA C -10.896 0.912 0.331 1.00 . A A . 1 GLY CA 1 1
1 3 1 1 1 GLY H1 H -11.573 2.832 0.773 1.00 . A A . 1 GLY H1 1 1
1 4 1 1 1 GLY H2 H -10.088 2.436 1.497 1.00 . A A . 1 GLY H2 1 1
1 5 1 1 1 GLY H3 H -11.533 1.787 2.109 1.00 . A A . 1 GLY H3 1 1
1 6 1 1 1 GLY HA2 H -11.796 0.315 0.372 1.00 . A A . 1 GLY HA2 1 1
1 7 1 1 1 GLY HA3 H -10.744 1.262 -0.679 1.00 . A A . 1 GLY HA3 1 1
1 8 1 1 1 GLY N N -11.033 2.080 1.247 1.00 . A A . 1 GLY N 1 1
1 9 1 1 1 GLY O O -8.688 0.594 1.215 1.00 . A A . 1 GLY O 1 1
1 10 1 1 2 LEU C C -7.566 -1.996 0.022 1.00 . A A . 2 LEU C 1 1
1 11 1 1 2 LEU CA C -8.749 -2.156 0.974 1.00 . A A . 2 LEU CA 1 1
1 12 1 1 2 LEU CB C -9.248 -3.608 0.944 1.00 . A A . 2 LEU CB 1 1
1 13 1 1 2 LEU CD1 C -10.234 -5.189 -0.733 1.00 . A A . 2 LEU CD1 1 1
1 14 1 1 2 LEU CD2 C -11.704 -3.537 0.431 1.00 . A A . 2 LEU CD2 1 1
1 15 1 1 2 LEU CG C -10.307 -3.772 -0.157 1.00 . A A . 2 LEU CG 1 1
1 16 1 1 2 LEU H H -10.658 -1.610 0.230 1.00 . A A . 2 LEU H 1 1
1 17 1 1 2 LEU HA H -8.424 -1.920 1.975 1.00 . A A . 2 LEU HA 1 1
1 18 1 1 2 LEU HB2 H -8.415 -4.269 0.748 1.00 . A A . 2 LEU HB2 1 1
1 19 1 1 2 LEU HB3 H -9.682 -3.857 1.901 1.00 . A A . 2 LEU HB3 1 1
1 20 1 1 2 LEU HD11 H -11.021 -5.323 -1.461 1.00 . A A . 2 LEU HD11 1 1
1 21 1 1 2 LEU HD12 H -10.355 -5.909 0.063 1.00 . A A . 2 LEU HD12 1 1
1 22 1 1 2 LEU HD13 H -9.276 -5.336 -1.209 1.00 . A A . 2 LEU HD13 1 1
1 23 1 1 2 LEU HD21 H -11.670 -2.714 1.129 1.00 . A A . 2 LEU HD21 1 1
1 24 1 1 2 LEU HD22 H -12.035 -4.429 0.944 1.00 . A A . 2 LEU HD22 1 1
1 25 1 1 2 LEU HD23 H -12.395 -3.304 -0.366 1.00 . A A . 2 LEU HD23 1 1
1 26 1 1 2 LEU HG H -10.122 -3.057 -0.946 1.00 . A A . 2 LEU HG 1 1
1 27 1 1 2 LEU N N -9.828 -1.247 0.602 1.00 . A A . 2 LEU N 1 1
1 28 1 1 2 LEU O O -6.450 -2.405 0.332 1.00 . A A . 2 LEU O 1 1
1 29 1 1 3 SER C C -5.803 -0.107 -1.680 1.00 . A A . 3 SER C 1 1
1 30 1 1 3 SER CA C -6.774 -1.196 -2.131 1.00 . A A . 3 SER CA 1 1
1 31 1 1 3 SER CB C -7.397 -0.802 -3.470 1.00 . A A . 3 SER CB 1 1
1 32 1 1 3 SER H H -8.735 -1.101 -1.332 1.00 . A A . 3 SER H 1 1
1 33 1 1 3 SER HA H -6.229 -2.117 -2.261 1.00 . A A . 3 SER HA 1 1
1 34 1 1 3 SER HB2 H -6.620 -0.532 -4.166 1.00 . A A . 3 SER HB2 1 1
1 35 1 1 3 SER HB3 H -7.956 -1.639 -3.866 1.00 . A A . 3 SER HB3 1 1
1 36 1 1 3 SER HG H -7.722 1.108 -3.284 1.00 . A A . 3 SER HG 1 1
1 37 1 1 3 SER N N -7.823 -1.404 -1.138 1.00 . A A . 3 SER N 1 1
1 38 1 1 3 SER O O -4.629 -0.116 -2.049 1.00 . A A . 3 SER O 1 1
1 39 1 1 3 SER OG O -8.259 0.312 -3.278 1.00 . A A . 3 SER OG 1 1
1 40 1 1 4 LEU C C -4.232 1.446 0.304 1.00 . A A . 4 LEU C 1 1
1 41 1 1 4 LEU CA C -5.484 1.946 -0.415 1.00 . A A . 4 LEU CA 1 1
1 42 1 1 4 LEU CB C -6.302 2.822 0.539 1.00 . A A . 4 LEU CB 1 1
1 43 1 1 4 LEU CD1 C -6.079 5.154 -0.359 1.00 . A A . 4 LEU CD1 1 1
1 44 1 1 4 LEU CD2 C -5.960 4.750 2.102 1.00 . A A . 4 LEU CD2 1 1
1 45 1 1 4 LEU CG C -5.609 4.180 0.724 1.00 . A A . 4 LEU CG 1 1
1 46 1 1 4 LEU H H -7.253 0.802 -0.647 1.00 . A A . 4 LEU H 1 1
1 47 1 1 4 LEU HA H -5.182 2.545 -1.259 1.00 . A A . 4 LEU HA 1 1
1 48 1 1 4 LEU HB2 H -7.290 2.971 0.130 1.00 . A A . 4 LEU HB2 1 1
1 49 1 1 4 LEU HB3 H -6.382 2.327 1.496 1.00 . A A . 4 LEU HB3 1 1
1 50 1 1 4 LEU HD11 H -5.410 6.000 -0.399 1.00 . A A . 4 LEU HD11 1 1
1 51 1 1 4 LEU HD12 H -7.077 5.496 -0.127 1.00 . A A . 4 LEU HD12 1 1
1 52 1 1 4 LEU HD13 H -6.085 4.655 -1.317 1.00 . A A . 4 LEU HD13 1 1
1 53 1 1 4 LEU HD21 H -5.468 4.169 2.868 1.00 . A A . 4 LEU HD21 1 1
1 54 1 1 4 LEU HD22 H -7.028 4.708 2.247 1.00 . A A . 4 LEU HD22 1 1
1 55 1 1 4 LEU HD23 H -5.628 5.776 2.161 1.00 . A A . 4 LEU HD23 1 1
1 56 1 1 4 LEU HG H -4.538 4.051 0.650 1.00 . A A . 4 LEU HG 1 1
1 57 1 1 4 LEU N N -6.307 0.840 -0.897 1.00 . A A . 4 LEU N 1 1
1 58 1 1 4 LEU O O -3.139 1.974 0.097 1.00 . A A . 4 LEU O 1 1
1 59 1 1 5 LEU C C -2.166 -0.599 0.970 1.00 . A A . 5 LEU C 1 1
1 60 1 1 5 LEU CA C -3.259 -0.095 1.908 1.00 . A A . 5 LEU CA 1 1
1 61 1 1 5 LEU CB C -3.721 -1.229 2.832 1.00 . A A . 5 LEU CB 1 1
1 62 1 1 5 LEU CD1 C -2.976 -3.494 2.023 1.00 . A A . 5 LEU CD1 1 1
1 63 1 1 5 LEU CD2 C -5.367 -3.112 2.626 1.00 . A A . 5 LEU CD2 1 1
1 64 1 1 5 LEU CG C -4.118 -2.470 2.013 1.00 . A A . 5 LEU CG 1 1
1 65 1 1 5 LEU H H -5.286 0.061 1.297 1.00 . A A . 5 LEU H 1 1
1 66 1 1 5 LEU HA H -2.848 0.695 2.518 1.00 . A A . 5 LEU HA 1 1
1 67 1 1 5 LEU HB2 H -2.920 -1.482 3.509 1.00 . A A . 5 LEU HB2 1 1
1 68 1 1 5 LEU HB3 H -4.572 -0.890 3.402 1.00 . A A . 5 LEU HB3 1 1
1 69 1 1 5 LEU HD11 H -2.713 -3.729 3.044 1.00 . A A . 5 LEU HD11 1 1
1 70 1 1 5 LEU HD12 H -2.117 -3.085 1.515 1.00 . A A . 5 LEU HD12 1 1
1 71 1 1 5 LEU HD13 H -3.298 -4.394 1.521 1.00 . A A . 5 LEU HD13 1 1
1 72 1 1 5 LEU HD21 H -6.170 -2.391 2.648 1.00 . A A . 5 LEU HD21 1 1
1 73 1 1 5 LEU HD22 H -5.147 -3.436 3.633 1.00 . A A . 5 LEU HD22 1 1
1 74 1 1 5 LEU HD23 H -5.662 -3.964 2.032 1.00 . A A . 5 LEU HD23 1 1
1 75 1 1 5 LEU HG H -4.328 -2.181 0.996 1.00 . A A . 5 LEU HG 1 1
1 76 1 1 5 LEU N N -4.392 0.440 1.160 1.00 . A A . 5 LEU N 1 1
1 77 1 1 5 LEU O O -0.978 -0.412 1.230 1.00 . A A . 5 LEU O 1 1
1 78 1 1 6 LEU C C -0.759 -0.636 -1.660 1.00 . A A . 6 LEU C 1 1
1 79 1 1 6 LEU CA C -1.613 -1.764 -1.085 1.00 . A A . 6 LEU CA 1 1
1 80 1 1 6 LEU CB C -2.349 -2.487 -2.221 1.00 . A A . 6 LEU CB 1 1
1 81 1 1 6 LEU CD1 C -3.923 -4.409 -2.559 1.00 . A A . 6 LEU CD1 1 1
1 82 1 1 6 LEU CD2 C -1.509 -4.849 -2.095 1.00 . A A . 6 LEU CD2 1 1
1 83 1 1 6 LEU CG C -2.692 -3.922 -1.791 1.00 . A A . 6 LEU CG 1 1
1 84 1 1 6 LEU H H -3.531 -1.360 -0.274 1.00 . A A . 6 LEU H 1 1
1 85 1 1 6 LEU HA H -0.965 -2.468 -0.584 1.00 . A A . 6 LEU HA 1 1
1 86 1 1 6 LEU HB2 H -3.260 -1.954 -2.452 1.00 . A A . 6 LEU HB2 1 1
1 87 1 1 6 LEU HB3 H -1.720 -2.517 -3.099 1.00 . A A . 6 LEU HB3 1 1
1 88 1 1 6 LEU HD11 H -4.004 -5.482 -2.466 1.00 . A A . 6 LEU HD11 1 1
1 89 1 1 6 LEU HD12 H -3.825 -4.145 -3.602 1.00 . A A . 6 LEU HD12 1 1
1 90 1 1 6 LEU HD13 H -4.808 -3.945 -2.151 1.00 . A A . 6 LEU HD13 1 1
1 91 1 1 6 LEU HD21 H -0.644 -4.527 -1.535 1.00 . A A . 6 LEU HD21 1 1
1 92 1 1 6 LEU HD22 H -1.287 -4.814 -3.152 1.00 . A A . 6 LEU HD22 1 1
1 93 1 1 6 LEU HD23 H -1.763 -5.860 -1.814 1.00 . A A . 6 LEU HD23 1 1
1 94 1 1 6 LEU HG H -2.902 -3.940 -0.731 1.00 . A A . 6 LEU HG 1 1
1 95 1 1 6 LEU N N -2.572 -1.238 -0.119 1.00 . A A . 6 LEU N 1 1
1 96 1 1 6 LEU O O 0.444 -0.799 -1.861 1.00 . A A . 6 LEU O 1 1
1 97 1 1 7 SER C C 0.558 1.963 -1.627 1.00 . A A . 7 SER C 1 1
1 98 1 1 7 SER CA C -0.669 1.648 -2.473 1.00 . A A . 7 SER CA 1 1
1 99 1 1 7 SER CB C -1.585 2.870 -2.525 1.00 . A A . 7 SER CB 1 1
1 100 1 1 7 SER H H -2.348 0.579 -1.743 1.00 . A A . 7 SER H 1 1
1 101 1 1 7 SER HA H -0.347 1.408 -3.475 1.00 . A A . 7 SER HA 1 1
1 102 1 1 7 SER HB2 H -1.704 3.277 -1.535 1.00 . A A . 7 SER HB2 1 1
1 103 1 1 7 SER HB3 H -1.145 3.621 -3.169 1.00 . A A . 7 SER HB3 1 1
1 104 1 1 7 SER HG H -3.236 3.236 -3.487 1.00 . A A . 7 SER HG 1 1
1 105 1 1 7 SER N N -1.387 0.505 -1.922 1.00 . A A . 7 SER N 1 1
1 106 1 1 7 SER O O 1.645 2.189 -2.155 1.00 . A A . 7 SER O 1 1
1 107 1 1 7 SER OG O -2.857 2.483 -3.027 1.00 . A A . 7 SER OG 1 1
1 108 1 1 8 LEU C C 2.421 1.041 0.654 1.00 . A A . 8 LEU C 1 1
1 109 1 1 8 LEU CA C 1.487 2.245 0.592 1.00 . A A . 8 LEU CA 1 1
1 110 1 1 8 LEU CB C 0.956 2.558 1.994 1.00 . A A . 8 LEU CB 1 1
1 111 1 1 8 LEU CD1 C -0.768 3.825 3.282 1.00 . A A . 8 LEU CD1 1 1
1 112 1 1 8 LEU CD2 C 0.023 4.683 1.073 1.00 . A A . 8 LEU CD2 1 1
1 113 1 1 8 LEU CG C -0.298 3.424 1.882 1.00 . A A . 8 LEU CG 1 1
1 114 1 1 8 LEU H H -0.507 1.775 0.055 1.00 . A A . 8 LEU H 1 1
1 115 1 1 8 LEU HA H 2.037 3.098 0.226 1.00 . A A . 8 LEU HA 1 1
1 116 1 1 8 LEU HB2 H 0.713 1.636 2.502 1.00 . A A . 8 LEU HB2 1 1
1 117 1 1 8 LEU HB3 H 1.710 3.090 2.553 1.00 . A A . 8 LEU HB3 1 1
1 118 1 1 8 LEU HD11 H 0.062 4.239 3.835 1.00 . A A . 8 LEU HD11 1 1
1 119 1 1 8 LEU HD12 H -1.148 2.955 3.796 1.00 . A A . 8 LEU HD12 1 1
1 120 1 1 8 LEU HD13 H -1.551 4.564 3.200 1.00 . A A . 8 LEU HD13 1 1
1 121 1 1 8 LEU HD21 H 0.108 4.427 0.027 1.00 . A A . 8 LEU HD21 1 1
1 122 1 1 8 LEU HD22 H 0.955 5.105 1.418 1.00 . A A . 8 LEU HD22 1 1
1 123 1 1 8 LEU HD23 H -0.769 5.407 1.202 1.00 . A A . 8 LEU HD23 1 1
1 124 1 1 8 LEU HG H -1.079 2.864 1.387 1.00 . A A . 8 LEU HG 1 1
1 125 1 1 8 LEU N N 0.381 1.967 -0.312 1.00 . A A . 8 LEU N 1 1
1 126 1 1 8 LEU O O 3.618 1.178 0.899 1.00 . A A . 8 LEU O 1 1
1 127 1 1 9 GLY C C 3.799 -1.325 -0.516 1.00 . A A . 9 GLY C 1 1
1 128 1 1 9 GLY CA C 2.630 -1.373 0.464 1.00 . A A . 9 GLY CA 1 1
1 129 1 1 9 GLY H H 0.897 -0.182 0.242 1.00 . A A . 9 GLY H 1 1
1 130 1 1 9 GLY HA2 H 3.013 -1.522 1.463 1.00 . A A . 9 GLY HA2 1 1
1 131 1 1 9 GLY HA3 H 1.988 -2.200 0.203 1.00 . A A . 9 GLY HA3 1 1
1 132 1 1 9 GLY N N 1.856 -0.139 0.430 1.00 . A A . 9 GLY N 1 1
1 133 1 1 9 GLY O O 4.896 -1.788 -0.203 1.00 . A A . 9 GLY O 1 1
1 134 1 1 10 LEU C C 5.611 0.417 -2.363 1.00 . A A . 10 LEU C 1 1
1 135 1 1 10 LEU CA C 4.625 -0.695 -2.706 1.00 . A A . 10 LEU CA 1 1
1 136 1 1 10 LEU CB C 4.027 -0.468 -4.102 1.00 . A A . 10 LEU CB 1 1
1 137 1 1 10 LEU CD1 C 4.664 1.777 -5.040 1.00 . A A . 10 LEU CD1 1 1
1 138 1 1 10 LEU CD2 C 2.273 1.059 -5.047 1.00 . A A . 10 LEU CD2 1 1
1 139 1 1 10 LEU CG C 3.592 0.999 -4.269 1.00 . A A . 10 LEU CG 1 1
1 140 1 1 10 LEU H H 2.671 -0.423 -1.914 1.00 . A A . 10 LEU H 1 1
1 141 1 1 10 LEU HA H 5.160 -1.632 -2.709 1.00 . A A . 10 LEU HA 1 1
1 142 1 1 10 LEU HB2 H 4.769 -0.713 -4.850 1.00 . A A . 10 LEU HB2 1 1
1 143 1 1 10 LEU HB3 H 3.170 -1.113 -4.228 1.00 . A A . 10 LEU HB3 1 1
1 144 1 1 10 LEU HD11 H 4.524 2.836 -4.883 1.00 . A A . 10 LEU HD11 1 1
1 145 1 1 10 LEU HD12 H 4.580 1.556 -6.095 1.00 . A A . 10 LEU HD12 1 1
1 146 1 1 10 LEU HD13 H 5.644 1.488 -4.690 1.00 . A A . 10 LEU HD13 1 1
1 147 1 1 10 LEU HD21 H 2.416 0.640 -6.032 1.00 . A A . 10 LEU HD21 1 1
1 148 1 1 10 LEU HD22 H 1.953 2.087 -5.135 1.00 . A A . 10 LEU HD22 1 1
1 149 1 1 10 LEU HD23 H 1.518 0.491 -4.521 1.00 . A A . 10 LEU HD23 1 1
1 150 1 1 10 LEU HG H 3.456 1.450 -3.297 1.00 . A A . 10 LEU HG 1 1
1 151 1 1 10 LEU N N 3.565 -0.775 -1.705 1.00 . A A . 10 LEU N 1 1
1 152 1 1 10 LEU O O 6.773 0.372 -2.765 1.00 . A A . 10 LEU O 1 1
1 153 1 1 11 LYS C C 7.086 2.021 -0.265 1.00 . A A . 11 LYS C 1 1
1 154 1 1 11 LYS CA C 6.006 2.515 -1.220 1.00 . A A . 11 LYS CA 1 1
1 155 1 1 11 LYS CB C 5.177 3.620 -0.552 1.00 . A A . 11 LYS CB 1 1
1 156 1 1 11 LYS CD C 6.269 4.358 1.600 1.00 . A A . 11 LYS CD 1 1
1 157 1 1 11 LYS CE C 7.637 4.848 2.087 1.00 . A A . 11 LYS CE 1 1
1 158 1 1 11 LYS CG C 6.109 4.658 0.100 1.00 . A A . 11 LYS CG 1 1
1 159 1 1 11 LYS H H 4.212 1.392 -1.316 1.00 . A A . 11 LYS H 1 1
1 160 1 1 11 LYS HA H 6.480 2.920 -2.103 1.00 . A A . 11 LYS HA 1 1
1 161 1 1 11 LYS HB2 H 4.566 4.107 -1.300 1.00 . A A . 11 LYS HB2 1 1
1 162 1 1 11 LYS HB3 H 4.539 3.185 0.202 1.00 . A A . 11 LYS HB3 1 1
1 163 1 1 11 LYS HD2 H 5.490 4.865 2.151 1.00 . A A . 11 LYS HD2 1 1
1 164 1 1 11 LYS HD3 H 6.192 3.294 1.769 1.00 . A A . 11 LYS HD3 1 1
1 165 1 1 11 LYS HE2 H 7.909 5.750 1.558 1.00 . A A . 11 LYS HE2 1 1
1 166 1 1 11 LYS HE3 H 7.591 5.052 3.146 1.00 . A A . 11 LYS HE3 1 1
1 167 1 1 11 LYS HG2 H 7.077 4.625 -0.380 1.00 . A A . 11 LYS HG2 1 1
1 168 1 1 11 LYS HG3 H 5.686 5.644 -0.022 1.00 . A A . 11 LYS HG3 1 1
1 169 1 1 11 LYS HZ1 H 8.265 3.076 1.191 1.00 . A A . 11 LYS HZ1 1 1
1 170 1 1 11 LYS HZ2 H 8.932 3.349 2.730 1.00 . A A . 11 LYS HZ2 1 1
1 171 1 1 11 LYS HZ3 H 9.498 4.224 1.389 1.00 . A A . 11 LYS HZ3 1 1
1 172 1 1 11 LYS N N 5.145 1.409 -1.613 1.00 . A A . 11 LYS N 1 1
1 173 1 1 11 LYS NZ N 8.661 3.795 1.830 1.00 . A A . 11 LYS NZ 1 1
1 174 1 1 11 LYS O O 8.181 2.580 -0.206 1.00 . A A . 11 LYS O 1 1
1 175 1 1 12 LEU C C 8.973 -0.079 0.704 1.00 . A A . 12 LEU C 1 1
1 176 1 1 12 LEU CA C 7.721 0.405 1.432 1.00 . A A . 12 LEU CA 1 1
1 177 1 1 12 LEU CB C 7.071 -0.768 2.185 1.00 . A A . 12 LEU CB 1 1
1 178 1 1 12 LEU CD1 C 7.624 -0.140 4.558 1.00 . A A . 12 LEU CD1 1 1
1 179 1 1 12 LEU CD2 C 5.754 1.034 3.371 1.00 . A A . 12 LEU CD2 1 1
1 180 1 1 12 LEU CG C 6.495 -0.302 3.534 1.00 . A A . 12 LEU CG 1 1
1 181 1 1 12 LEU H H 5.879 0.557 0.390 1.00 . A A . 12 LEU H 1 1
1 182 1 1 12 LEU HA H 8.005 1.167 2.138 1.00 . A A . 12 LEU HA 1 1
1 183 1 1 12 LEU HB2 H 6.273 -1.174 1.583 1.00 . A A . 12 LEU HB2 1 1
1 184 1 1 12 LEU HB3 H 7.808 -1.537 2.359 1.00 . A A . 12 LEU HB3 1 1
1 185 1 1 12 LEU HD11 H 8.308 -0.971 4.480 1.00 . A A . 12 LEU HD11 1 1
1 186 1 1 12 LEU HD12 H 7.205 -0.114 5.554 1.00 . A A . 12 LEU HD12 1 1
1 187 1 1 12 LEU HD13 H 8.155 0.782 4.369 1.00 . A A . 12 LEU HD13 1 1
1 188 1 1 12 LEU HD21 H 6.423 1.852 3.590 1.00 . A A . 12 LEU HD21 1 1
1 189 1 1 12 LEU HD22 H 4.917 1.065 4.052 1.00 . A A . 12 LEU HD22 1 1
1 190 1 1 12 LEU HD23 H 5.391 1.126 2.358 1.00 . A A . 12 LEU HD23 1 1
1 191 1 1 12 LEU HG H 5.801 -1.050 3.891 1.00 . A A . 12 LEU HG 1 1
1 192 1 1 12 LEU N N 6.769 0.966 0.481 1.00 . A A . 12 LEU N 1 1
1 193 1 1 12 LEU O O 10.086 0.344 1.015 1.00 . A A . 12 LEU O 1 1
1 194 1 1 13 LEU C C 9.402 -2.481 -2.094 1.00 . A A . 13 LEU C 1 1
1 195 1 1 13 LEU CA C 9.899 -1.500 -1.037 1.00 . A A . 13 LEU CA 1 1
1 196 1 1 13 LEU CB C 10.889 -2.210 -0.105 1.00 . A A . 13 LEU CB 1 1
1 197 1 1 13 LEU CD1 C 10.644 -4.586 0.679 1.00 . A A . 13 LEU CD1 1 1
1 198 1 1 13 LEU CD2 C 10.361 -2.713 2.302 1.00 . A A . 13 LEU CD2 1 1
1 199 1 1 13 LEU CG C 10.133 -3.154 0.852 1.00 . A A . 13 LEU CG 1 1
1 200 1 1 13 LEU H H 7.869 -1.264 -0.472 1.00 . A A . 13 LEU H 1 1
1 201 1 1 13 LEU HA H 10.408 -0.684 -1.527 1.00 . A A . 13 LEU HA 1 1
1 202 1 1 13 LEU HB2 H 11.588 -2.781 -0.701 1.00 . A A . 13 LEU HB2 1 1
1 203 1 1 13 LEU HB3 H 11.431 -1.473 0.467 1.00 . A A . 13 LEU HB3 1 1
1 204 1 1 13 LEU HD11 H 11.713 -4.607 0.822 1.00 . A A . 13 LEU HD11 1 1
1 205 1 1 13 LEU HD12 H 10.407 -4.935 -0.316 1.00 . A A . 13 LEU HD12 1 1
1 206 1 1 13 LEU HD13 H 10.169 -5.227 1.407 1.00 . A A . 13 LEU HD13 1 1
1 207 1 1 13 LEU HD21 H 9.711 -3.276 2.955 1.00 . A A . 13 LEU HD21 1 1
1 208 1 1 13 LEU HD22 H 10.144 -1.660 2.398 1.00 . A A . 13 LEU HD22 1 1
1 209 1 1 13 LEU HD23 H 11.390 -2.893 2.575 1.00 . A A . 13 LEU HD23 1 1
1 210 1 1 13 LEU HG H 9.075 -3.126 0.630 1.00 . A A . 13 LEU HG 1 1
1 211 1 1 13 LEU N N 8.780 -0.966 -0.268 1.00 . A A . 13 LEU N 1 1
1 212 1 1 13 LEU O O 10.100 -3.433 -2.441 1.00 . A A . 13 LEU O 1 1
1 213 1 1 14 NH2 HN1 H 7.899 -2.928 -3.311 1.00 . A A . 14 NH2 HN1 1 1
1 214 1 1 14 NH2 HN2 H 7.671 -1.544 -2.354 1.00 . A A . 14 NH2 HN2 1 1
1 215 1 1 14 NH2 N N 8.227 -2.303 -2.631 1.00 . A A . 14 NH2 N 1 1
2 216 1 1 1 GLY C C -9.206 -0.581 1.123 1.00 . A A . 1 GLY C 1 1
2 217 1 1 1 GLY CA C -10.632 -0.052 1.012 1.00 . A A . 1 GLY CA 1 1
2 218 1 1 1 GLY H1 H -11.549 -0.581 -0.781 1.00 . A A . 1 GLY H1 1 1
2 219 1 1 1 GLY H2 H -12.381 -1.105 0.604 1.00 . A A . 1 GLY H2 1 1
2 220 1 1 1 GLY H3 H -10.964 -1.900 0.110 1.00 . A A . 1 GLY H3 1 1
2 221 1 1 1 GLY HA2 H -10.619 0.927 0.556 1.00 . A A . 1 GLY HA2 1 1
2 222 1 1 1 GLY HA3 H -11.065 0.013 1.998 1.00 . A A . 1 GLY HA3 1 1
2 223 1 1 1 GLY N N -11.442 -0.979 0.173 1.00 . A A . 1 GLY N 1 1
2 224 1 1 1 GLY O O -8.258 0.190 1.265 1.00 . A A . 1 GLY O 1 1
2 225 1 1 2 LEU C C -6.869 -2.098 -0.019 1.00 . A A . 2 LEU C 1 1
2 226 1 1 2 LEU CA C -7.747 -2.521 1.154 1.00 . A A . 2 LEU CA 1 1
2 227 1 1 2 LEU CB C -7.887 -4.048 1.171 1.00 . A A . 2 LEU CB 1 1
2 228 1 1 2 LEU CD1 C -7.646 -5.050 -1.123 1.00 . A A . 2 LEU CD1 1 1
2 229 1 1 2 LEU CD2 C -9.611 -5.646 0.295 1.00 . A A . 2 LEU CD2 1 1
2 230 1 1 2 LEU CG C -8.640 -4.522 -0.084 1.00 . A A . 2 LEU CG 1 1
2 231 1 1 2 LEU H H -9.856 -2.466 0.945 1.00 . A A . 2 LEU H 1 1
2 232 1 1 2 LEU HA H -7.277 -2.205 2.073 1.00 . A A . 2 LEU HA 1 1
2 233 1 1 2 LEU HB2 H -6.903 -4.496 1.197 1.00 . A A . 2 LEU HB2 1 1
2 234 1 1 2 LEU HB3 H -8.435 -4.342 2.053 1.00 . A A . 2 LEU HB3 1 1
2 235 1 1 2 LEU HD11 H -8.186 -5.409 -1.986 1.00 . A A . 2 LEU HD11 1 1
2 236 1 1 2 LEU HD12 H -7.072 -5.858 -0.695 1.00 . A A . 2 LEU HD12 1 1
2 237 1 1 2 LEU HD13 H -6.980 -4.255 -1.422 1.00 . A A . 2 LEU HD13 1 1
2 238 1 1 2 LEU HD21 H -10.337 -5.271 1.000 1.00 . A A . 2 LEU HD21 1 1
2 239 1 1 2 LEU HD22 H -9.062 -6.461 0.741 1.00 . A A . 2 LEU HD22 1 1
2 240 1 1 2 LEU HD23 H -10.119 -5.997 -0.591 1.00 . A A . 2 LEU HD23 1 1
2 241 1 1 2 LEU HG H -9.195 -3.698 -0.509 1.00 . A A . 2 LEU HG 1 1
2 242 1 1 2 LEU N N -9.063 -1.901 1.059 1.00 . A A . 2 LEU N 1 1
2 243 1 1 2 LEU O O -5.644 -2.054 0.094 1.00 . A A . 2 LEU O 1 1
2 244 1 1 3 SER C C -5.891 -0.162 -2.025 1.00 . A A . 3 SER C 1 1
2 245 1 1 3 SER CA C -6.770 -1.371 -2.334 1.00 . A A . 3 SER CA 1 1
2 246 1 1 3 SER CB C -7.748 -1.019 -3.455 1.00 . A A . 3 SER CB 1 1
2 247 1 1 3 SER H H -8.482 -1.842 -1.177 1.00 . A A . 3 SER H 1 1
2 248 1 1 3 SER HA H -6.142 -2.185 -2.663 1.00 . A A . 3 SER HA 1 1
2 249 1 1 3 SER HB2 H -7.202 -0.703 -4.327 1.00 . A A . 3 SER HB2 1 1
2 250 1 1 3 SER HB3 H -8.340 -1.892 -3.701 1.00 . A A . 3 SER HB3 1 1
2 251 1 1 3 SER HG H -8.885 0.521 -3.802 1.00 . A A . 3 SER HG 1 1
2 252 1 1 3 SER N N -7.503 -1.788 -1.146 1.00 . A A . 3 SER N 1 1
2 253 1 1 3 SER O O -4.729 -0.107 -2.431 1.00 . A A . 3 SER O 1 1
2 254 1 1 3 SER OG O -8.596 0.038 -3.025 1.00 . A A . 3 SER OG 1 1
2 255 1 1 4 LEU C C -4.494 1.654 -0.097 1.00 . A A . 4 LEU C 1 1
2 256 1 1 4 LEU CA C -5.710 2.009 -0.948 1.00 . A A . 4 LEU CA 1 1
2 257 1 1 4 LEU CB C -6.616 2.970 -0.172 1.00 . A A . 4 LEU CB 1 1
2 258 1 1 4 LEU CD1 C -6.419 5.160 -1.384 1.00 . A A . 4 LEU CD1 1 1
2 259 1 1 4 LEU CD2 C -6.453 5.114 1.112 1.00 . A A . 4 LEU CD2 1 1
2 260 1 1 4 LEU CG C -5.988 4.371 -0.143 1.00 . A A . 4 LEU CG 1 1
2 261 1 1 4 LEU H H -7.381 0.706 -1.009 1.00 . A A . 4 LEU H 1 1
2 262 1 1 4 LEU HA H -5.375 2.495 -1.851 1.00 . A A . 4 LEU HA 1 1
2 263 1 1 4 LEU HB2 H -7.584 3.016 -0.650 1.00 . A A . 4 LEU HB2 1 1
2 264 1 1 4 LEU HB3 H -6.735 2.610 0.840 1.00 . A A . 4 LEU HB3 1 1
2 265 1 1 4 LEU HD11 H -6.341 4.530 -2.257 1.00 . A A . 4 LEU HD11 1 1
2 266 1 1 4 LEU HD12 H -5.778 6.021 -1.502 1.00 . A A . 4 LEU HD12 1 1
2 267 1 1 4 LEU HD13 H -7.442 5.487 -1.264 1.00 . A A . 4 LEU HD13 1 1
2 268 1 1 4 LEU HD21 H -6.203 6.162 1.024 1.00 . A A . 4 LEU HD21 1 1
2 269 1 1 4 LEU HD22 H -5.963 4.699 1.980 1.00 . A A . 4 LEU HD22 1 1
2 270 1 1 4 LEU HD23 H -7.523 5.007 1.218 1.00 . A A . 4 LEU HD23 1 1
2 271 1 1 4 LEU HG H -4.910 4.284 -0.130 1.00 . A A . 4 LEU HG 1 1
2 272 1 1 4 LEU N N -6.453 0.804 -1.306 1.00 . A A . 4 LEU N 1 1
2 273 1 1 4 LEU O O -3.415 2.221 -0.272 1.00 . A A . 4 LEU O 1 1
2 274 1 1 5 LEU C C -2.401 -0.197 0.867 1.00 . A A . 5 LEU C 1 1
2 275 1 1 5 LEU CA C -3.588 0.288 1.697 1.00 . A A . 5 LEU CA 1 1
2 276 1 1 5 LEU CB C -4.075 -0.839 2.621 1.00 . A A . 5 LEU CB 1 1
2 277 1 1 5 LEU CD1 C -1.834 -0.786 3.756 1.00 . A A . 5 LEU CD1 1 1
2 278 1 1 5 LEU CD2 C -3.756 0.498 4.734 1.00 . A A . 5 LEU CD2 1 1
2 279 1 1 5 LEU CG C -3.351 -0.777 3.975 1.00 . A A . 5 LEU CG 1 1
2 280 1 1 5 LEU H H -5.558 0.296 0.917 1.00 . A A . 5 LEU H 1 1
2 281 1 1 5 LEU HA H -3.276 1.128 2.296 1.00 . A A . 5 LEU HA 1 1
2 282 1 1 5 LEU HB2 H -5.138 -0.734 2.779 1.00 . A A . 5 LEU HB2 1 1
2 283 1 1 5 LEU HB3 H -3.878 -1.794 2.157 1.00 . A A . 5 LEU HB3 1 1
2 284 1 1 5 LEU HD11 H -1.588 -1.477 2.962 1.00 . A A . 5 LEU HD11 1 1
2 285 1 1 5 LEU HD12 H -1.343 -1.096 4.666 1.00 . A A . 5 LEU HD12 1 1
2 286 1 1 5 LEU HD13 H -1.502 0.205 3.488 1.00 . A A . 5 LEU HD13 1 1
2 287 1 1 5 LEU HD21 H -3.801 0.285 5.792 1.00 . A A . 5 LEU HD21 1 1
2 288 1 1 5 LEU HD22 H -4.725 0.833 4.395 1.00 . A A . 5 LEU HD22 1 1
2 289 1 1 5 LEU HD23 H -3.026 1.275 4.558 1.00 . A A . 5 LEU HD23 1 1
2 290 1 1 5 LEU HG H -3.627 -1.643 4.561 1.00 . A A . 5 LEU HG 1 1
2 291 1 1 5 LEU N N -4.677 0.712 0.824 1.00 . A A . 5 LEU N 1 1
2 292 1 1 5 LEU O O -1.247 0.086 1.189 1.00 . A A . 5 LEU O 1 1
2 293 1 1 6 LEU C C -0.716 -0.328 -1.521 1.00 . A A . 6 LEU C 1 1
2 294 1 1 6 LEU CA C -1.645 -1.451 -1.070 1.00 . A A . 6 LEU CA 1 1
2 295 1 1 6 LEU CB C -2.271 -2.126 -2.294 1.00 . A A . 6 LEU CB 1 1
2 296 1 1 6 LEU CD1 C -1.645 -4.137 -3.662 1.00 . A A . 6 LEU CD1 1 1
2 297 1 1 6 LEU CD2 C -0.867 -1.872 -4.365 1.00 . A A . 6 LEU CD2 1 1
2 298 1 1 6 LEU CG C -1.172 -2.770 -3.160 1.00 . A A . 6 LEU CG 1 1
2 299 1 1 6 LEU H H -3.632 -1.124 -0.410 1.00 . A A . 6 LEU H 1 1
2 300 1 1 6 LEU HA H -1.071 -2.183 -0.523 1.00 . A A . 6 LEU HA 1 1
2 301 1 1 6 LEU HB2 H -2.964 -2.887 -1.963 1.00 . A A . 6 LEU HB2 1 1
2 302 1 1 6 LEU HB3 H -2.803 -1.389 -2.876 1.00 . A A . 6 LEU HB3 1 1
2 303 1 1 6 LEU HD11 H -2.595 -4.026 -4.167 1.00 . A A . 6 LEU HD11 1 1
2 304 1 1 6 LEU HD12 H -1.760 -4.808 -2.824 1.00 . A A . 6 LEU HD12 1 1
2 305 1 1 6 LEU HD13 H -0.918 -4.541 -4.349 1.00 . A A . 6 LEU HD13 1 1
2 306 1 1 6 LEU HD21 H -0.506 -0.915 -4.020 1.00 . A A . 6 LEU HD21 1 1
2 307 1 1 6 LEU HD22 H -1.766 -1.730 -4.946 1.00 . A A . 6 LEU HD22 1 1
2 308 1 1 6 LEU HD23 H -0.112 -2.340 -4.980 1.00 . A A . 6 LEU HD23 1 1
2 309 1 1 6 LEU HG H -0.274 -2.900 -2.572 1.00 . A A . 6 LEU HG 1 1
2 310 1 1 6 LEU N N -2.694 -0.929 -0.202 1.00 . A A . 6 LEU N 1 1
2 311 1 1 6 LEU O O 0.490 -0.529 -1.668 1.00 . A A . 6 LEU O 1 1
2 312 1 1 7 SER C C 0.700 2.207 -1.245 1.00 . A A . 7 SER C 1 1
2 313 1 1 7 SER CA C -0.493 2.000 -2.172 1.00 . A A . 7 SER CA 1 1
2 314 1 1 7 SER CB C -1.360 3.260 -2.181 1.00 . A A . 7 SER CB 1 1
2 315 1 1 7 SER H H -2.249 0.957 -1.605 1.00 . A A . 7 SER H 1 1
2 316 1 1 7 SER HA H -0.132 1.819 -3.173 1.00 . A A . 7 SER HA 1 1
2 317 1 1 7 SER HB2 H -2.311 3.042 -2.638 1.00 . A A . 7 SER HB2 1 1
2 318 1 1 7 SER HB3 H -1.520 3.592 -1.164 1.00 . A A . 7 SER HB3 1 1
2 319 1 1 7 SER HG H 0.010 3.865 -3.422 1.00 . A A . 7 SER HG 1 1
2 320 1 1 7 SER N N -1.283 0.854 -1.738 1.00 . A A . 7 SER N 1 1
2 321 1 1 7 SER O O 1.824 2.415 -1.701 1.00 . A A . 7 SER O 1 1
2 322 1 1 7 SER OG O -0.704 4.275 -2.929 1.00 . A A . 7 SER OG 1 1
2 323 1 1 8 LEU C C 2.408 1.093 1.079 1.00 . A A . 8 LEU C 1 1
2 324 1 1 8 LEU CA C 1.508 2.323 1.041 1.00 . A A . 8 LEU CA 1 1
2 325 1 1 8 LEU CB C 0.902 2.561 2.428 1.00 . A A . 8 LEU CB 1 1
2 326 1 1 8 LEU CD1 C -0.854 3.804 3.696 1.00 . A A . 8 LEU CD1 1 1
2 327 1 1 8 LEU CD2 C 0.043 4.742 1.562 1.00 . A A . 8 LEU CD2 1 1
2 328 1 1 8 LEU CG C -0.332 3.456 2.301 1.00 . A A . 8 LEU CG 1 1
2 329 1 1 8 LEU H H -0.469 1.974 0.363 1.00 . A A . 8 LEU H 1 1
2 330 1 1 8 LEU HA H 2.100 3.183 0.767 1.00 . A A . 8 LEU HA 1 1
2 331 1 1 8 LEU HB2 H 0.619 1.615 2.864 1.00 . A A . 8 LEU HB2 1 1
2 332 1 1 8 LEU HB3 H 1.632 3.046 3.061 1.00 . A A . 8 LEU HB3 1 1
2 333 1 1 8 LEU HD11 H -1.235 2.911 4.171 1.00 . A A . 8 LEU HD11 1 1
2 334 1 1 8 LEU HD12 H -1.646 4.532 3.613 1.00 . A A . 8 LEU HD12 1 1
2 335 1 1 8 LEU HD13 H -0.049 4.212 4.290 1.00 . A A . 8 LEU HD13 1 1
2 336 1 1 8 LEU HD21 H 0.949 5.150 1.987 1.00 . A A . 8 LEU HD21 1 1
2 337 1 1 8 LEU HD22 H -0.757 5.461 1.663 1.00 . A A . 8 LEU HD22 1 1
2 338 1 1 8 LEU HD23 H 0.202 4.524 0.517 1.00 . A A . 8 LEU HD23 1 1
2 339 1 1 8 LEU HG H -1.100 2.932 1.750 1.00 . A A . 8 LEU HG 1 1
2 340 1 1 8 LEU N N 0.447 2.145 0.059 1.00 . A A . 8 LEU N 1 1
2 341 1 1 8 LEU O O 3.595 1.188 1.391 1.00 . A A . 8 LEU O 1 1
2 342 1 1 9 GLY C C 3.686 -1.275 -0.302 1.00 . A A . 9 GLY C 1 1
2 343 1 1 9 GLY CA C 2.588 -1.307 0.756 1.00 . A A . 9 GLY CA 1 1
2 344 1 1 9 GLY H H 0.883 -0.074 0.518 1.00 . A A . 9 GLY H 1 1
2 345 1 1 9 GLY HA2 H 3.034 -1.453 1.729 1.00 . A A . 9 GLY HA2 1 1
2 346 1 1 9 GLY HA3 H 1.920 -2.129 0.544 1.00 . A A . 9 GLY HA3 1 1
2 347 1 1 9 GLY N N 1.832 -0.061 0.758 1.00 . A A . 9 GLY N 1 1
2 348 1 1 9 GLY O O 4.835 -1.619 -0.026 1.00 . A A . 9 GLY O 1 1
2 349 1 1 10 LEU C C 5.366 0.249 -2.274 1.00 . A A . 10 LEU C 1 1
2 350 1 1 10 LEU CA C 4.289 -0.782 -2.601 1.00 . A A . 10 LEU CA 1 1
2 351 1 1 10 LEU CB C 3.552 -0.426 -3.910 1.00 . A A . 10 LEU CB 1 1
2 352 1 1 10 LEU CD1 C 5.711 0.106 -5.100 1.00 . A A . 10 LEU CD1 1 1
2 353 1 1 10 LEU CD2 C 3.528 0.967 -5.982 1.00 . A A . 10 LEU CD2 1 1
2 354 1 1 10 LEU CG C 4.320 0.635 -4.714 1.00 . A A . 10 LEU CG 1 1
2 355 1 1 10 LEU H H 2.395 -0.594 -1.672 1.00 . A A . 10 LEU H 1 1
2 356 1 1 10 LEU HA H 4.760 -1.746 -2.715 1.00 . A A . 10 LEU HA 1 1
2 357 1 1 10 LEU HB2 H 3.445 -1.317 -4.512 1.00 . A A . 10 LEU HB2 1 1
2 358 1 1 10 LEU HB3 H 2.571 -0.045 -3.669 1.00 . A A . 10 LEU HB3 1 1
2 359 1 1 10 LEU HD11 H 5.884 -0.850 -4.626 1.00 . A A . 10 LEU HD11 1 1
2 360 1 1 10 LEU HD12 H 6.464 0.808 -4.775 1.00 . A A . 10 LEU HD12 1 1
2 361 1 1 10 LEU HD13 H 5.772 -0.011 -6.172 1.00 . A A . 10 LEU HD13 1 1
2 362 1 1 10 LEU HD21 H 4.128 1.592 -6.628 1.00 . A A . 10 LEU HD21 1 1
2 363 1 1 10 LEU HD22 H 2.622 1.492 -5.714 1.00 . A A . 10 LEU HD22 1 1
2 364 1 1 10 LEU HD23 H 3.275 0.053 -6.499 1.00 . A A . 10 LEU HD23 1 1
2 365 1 1 10 LEU HG H 4.427 1.529 -4.117 1.00 . A A . 10 LEU HG 1 1
2 366 1 1 10 LEU N N 3.326 -0.858 -1.511 1.00 . A A . 10 LEU N 1 1
2 367 1 1 10 LEU O O 6.545 0.045 -2.561 1.00 . A A . 10 LEU O 1 1
2 368 1 1 11 LYS C C 7.050 1.823 -0.500 1.00 . A A . 11 LYS C 1 1
2 369 1 1 11 LYS CA C 5.882 2.407 -1.291 1.00 . A A . 11 LYS CA 1 1
2 370 1 1 11 LYS CB C 5.150 3.457 -0.446 1.00 . A A . 11 LYS CB 1 1
2 371 1 1 11 LYS CD C 5.945 4.998 1.393 1.00 . A A . 11 LYS CD 1 1
2 372 1 1 11 LYS CE C 6.890 4.147 2.251 1.00 . A A . 11 LYS CE 1 1
2 373 1 1 11 LYS CG C 6.100 4.620 -0.089 1.00 . A A . 11 LYS CG 1 1
2 374 1 1 11 LYS H H 3.998 1.455 -1.454 1.00 . A A . 11 LYS H 1 1
2 375 1 1 11 LYS HA H 6.260 2.877 -2.187 1.00 . A A . 11 LYS HA 1 1
2 376 1 1 11 LYS HB2 H 4.311 3.841 -1.007 1.00 . A A . 11 LYS HB2 1 1
2 377 1 1 11 LYS HB3 H 4.789 2.994 0.460 1.00 . A A . 11 LYS HB3 1 1
2 378 1 1 11 LYS HD2 H 6.191 6.042 1.522 1.00 . A A . 11 LYS HD2 1 1
2 379 1 1 11 LYS HD3 H 4.926 4.831 1.708 1.00 . A A . 11 LYS HD3 1 1
2 380 1 1 11 LYS HE2 H 7.912 4.348 1.969 1.00 . A A . 11 LYS HE2 1 1
2 381 1 1 11 LYS HE3 H 6.750 4.397 3.293 1.00 . A A . 11 LYS HE3 1 1
2 382 1 1 11 LYS HG2 H 7.122 4.330 -0.281 1.00 . A A . 11 LYS HG2 1 1
2 383 1 1 11 LYS HG3 H 5.856 5.477 -0.700 1.00 . A A . 11 LYS HG3 1 1
2 384 1 1 11 LYS HZ1 H 6.201 2.556 1.096 1.00 . A A . 11 LYS HZ1 1 1
2 385 1 1 11 LYS HZ2 H 5.907 2.379 2.758 1.00 . A A . 11 LYS HZ2 1 1
2 386 1 1 11 LYS HZ3 H 7.472 2.150 2.139 1.00 . A A . 11 LYS HZ3 1 1
2 387 1 1 11 LYS N N 4.949 1.351 -1.663 1.00 . A A . 11 LYS N 1 1
2 388 1 1 11 LYS NZ N 6.595 2.699 2.045 1.00 . A A . 11 LYS NZ 1 1
2 389 1 1 11 LYS O O 8.173 2.321 -0.570 1.00 . A A . 11 LYS O 1 1
2 390 1 1 12 LEU C C 8.642 -0.824 0.204 1.00 . A A . 12 LEU C 1 1
2 391 1 1 12 LEU CA C 7.804 0.120 1.062 1.00 . A A . 12 LEU CA 1 1
2 392 1 1 12 LEU CB C 7.146 -0.663 2.212 1.00 . A A . 12 LEU CB 1 1
2 393 1 1 12 LEU CD1 C 6.612 -0.585 4.654 1.00 . A A . 12 LEU CD1 1 1
2 394 1 1 12 LEU CD2 C 8.988 -0.489 3.900 1.00 . A A . 12 LEU CD2 1 1
2 395 1 1 12 LEU CG C 7.555 -0.068 3.566 1.00 . A A . 12 LEU CG 1 1
2 396 1 1 12 LEU H H 5.858 0.411 0.269 1.00 . A A . 12 LEU H 1 1
2 397 1 1 12 LEU HA H 8.450 0.880 1.474 1.00 . A A . 12 LEU HA 1 1
2 398 1 1 12 LEU HB2 H 6.073 -0.610 2.109 1.00 . A A . 12 LEU HB2 1 1
2 399 1 1 12 LEU HB3 H 7.455 -1.699 2.171 1.00 . A A . 12 LEU HB3 1 1
2 400 1 1 12 LEU HD11 H 6.976 -0.276 5.623 1.00 . A A . 12 LEU HD11 1 1
2 401 1 1 12 LEU HD12 H 6.570 -1.663 4.611 1.00 . A A . 12 LEU HD12 1 1
2 402 1 1 12 LEU HD13 H 5.623 -0.180 4.495 1.00 . A A . 12 LEU HD13 1 1
2 403 1 1 12 LEU HD21 H 9.242 -0.144 4.891 1.00 . A A . 12 LEU HD21 1 1
2 404 1 1 12 LEU HD22 H 9.669 -0.057 3.183 1.00 . A A . 12 LEU HD22 1 1
2 405 1 1 12 LEU HD23 H 9.065 -1.566 3.865 1.00 . A A . 12 LEU HD23 1 1
2 406 1 1 12 LEU HG H 7.493 1.010 3.521 1.00 . A A . 12 LEU HG 1 1
2 407 1 1 12 LEU N N 6.772 0.765 0.255 1.00 . A A . 12 LEU N 1 1
2 408 1 1 12 LEU O O 9.751 -1.201 0.584 1.00 . A A . 12 LEU O 1 1
2 409 1 1 13 LEU C C 9.117 -1.421 -3.174 1.00 . A A . 13 LEU C 1 1
2 410 1 1 13 LEU CA C 8.801 -2.115 -1.853 1.00 . A A . 13 LEU CA 1 1
2 411 1 1 13 LEU CB C 7.938 -3.354 -2.112 1.00 . A A . 13 LEU CB 1 1
2 412 1 1 13 LEU CD1 C 6.301 -4.945 -1.091 1.00 . A A . 13 LEU CD1 1 1
2 413 1 1 13 LEU CD2 C 8.321 -4.236 0.196 1.00 . A A . 13 LEU CD2 1 1
2 414 1 1 13 LEU CG C 7.258 -3.786 -0.809 1.00 . A A . 13 LEU CG 1 1
2 415 1 1 13 LEU H H 7.211 -0.877 -1.193 1.00 . A A . 13 LEU H 1 1
2 416 1 1 13 LEU HA H 9.728 -2.429 -1.394 1.00 . A A . 13 LEU HA 1 1
2 417 1 1 13 LEU HB2 H 7.185 -3.120 -2.850 1.00 . A A . 13 LEU HB2 1 1
2 418 1 1 13 LEU HB3 H 8.561 -4.158 -2.474 1.00 . A A . 13 LEU HB3 1 1
2 419 1 1 13 LEU HD11 H 6.817 -5.709 -1.653 1.00 . A A . 13 LEU HD11 1 1
2 420 1 1 13 LEU HD12 H 5.458 -4.583 -1.662 1.00 . A A . 13 LEU HD12 1 1
2 421 1 1 13 LEU HD13 H 5.952 -5.358 -0.157 1.00 . A A . 13 LEU HD13 1 1
2 422 1 1 13 LEU HD21 H 7.844 -4.743 1.022 1.00 . A A . 13 LEU HD21 1 1
2 423 1 1 13 LEU HD22 H 8.856 -3.374 0.564 1.00 . A A . 13 LEU HD22 1 1
2 424 1 1 13 LEU HD23 H 9.013 -4.909 -0.289 1.00 . A A . 13 LEU HD23 1 1
2 425 1 1 13 LEU HG H 6.701 -2.957 -0.400 1.00 . A A . 13 LEU HG 1 1
2 426 1 1 13 LEU N N 8.101 -1.207 -0.948 1.00 . A A . 13 LEU N 1 1
2 427 1 1 13 LEU O O 10.238 -0.957 -3.383 1.00 . A A . 13 LEU O 1 1
2 428 1 1 14 NH2 HN1 H 8.384 -0.872 -4.935 1.00 . A A . 14 NH2 HN1 1 1
2 429 1 1 14 NH2 HN2 H 7.297 -1.688 -3.919 1.00 . A A . 14 NH2 HN2 1 1
2 430 1 1 14 NH2 N N 8.188 -1.319 -4.085 1.00 . A A . 14 NH2 N 1 1
3 431 1 1 1 GLY C C -9.934 0.129 0.403 1.00 . A A . 1 GLY C 1 1
3 432 1 1 1 GLY CA C -11.215 0.764 -0.126 1.00 . A A . 1 GLY CA 1 1
3 433 1 1 1 GLY H1 H -13.253 0.690 0.296 1.00 . A A . 1 GLY H1 1 1
3 434 1 1 1 GLY H2 H -12.257 0.655 1.673 1.00 . A A . 1 GLY H2 1 1
3 435 1 1 1 GLY H3 H -12.412 -0.728 0.698 1.00 . A A . 1 GLY H3 1 1
3 436 1 1 1 GLY HA2 H -11.367 0.467 -1.155 1.00 . A A . 1 GLY HA2 1 1
3 437 1 1 1 GLY HA3 H -11.130 1.838 -0.069 1.00 . A A . 1 GLY HA3 1 1
3 438 1 1 1 GLY N N -12.371 0.311 0.698 1.00 . A A . 1 GLY N 1 1
3 439 1 1 1 GLY O O -8.950 0.820 0.669 1.00 . A A . 1 GLY O 1 1
3 440 1 1 2 LEU C C -7.661 -1.881 0.018 1.00 . A A . 2 LEU C 1 1
3 441 1 1 2 LEU CA C -8.785 -1.910 1.051 1.00 . A A . 2 LEU CA 1 1
3 442 1 1 2 LEU CB C -9.157 -3.364 1.374 1.00 . A A . 2 LEU CB 1 1
3 443 1 1 2 LEU CD1 C -10.099 -5.349 0.165 1.00 . A A . 2 LEU CD1 1 1
3 444 1 1 2 LEU CD2 C -11.635 -3.580 1.033 1.00 . A A . 2 LEU CD2 1 1
3 445 1 1 2 LEU CG C -10.257 -3.847 0.416 1.00 . A A . 2 LEU CG 1 1
3 446 1 1 2 LEU H H -10.763 -1.691 0.324 1.00 . A A . 2 LEU H 1 1
3 447 1 1 2 LEU HA H -8.439 -1.430 1.955 1.00 . A A . 2 LEU HA 1 1
3 448 1 1 2 LEU HB2 H -8.282 -3.991 1.267 1.00 . A A . 2 LEU HB2 1 1
3 449 1 1 2 LEU HB3 H -9.516 -3.425 2.391 1.00 . A A . 2 LEU HB3 1 1
3 450 1 1 2 LEU HD11 H -10.989 -5.730 -0.313 1.00 . A A . 2 LEU HD11 1 1
3 451 1 1 2 LEU HD12 H -9.950 -5.857 1.107 1.00 . A A . 2 LEU HD12 1 1
3 452 1 1 2 LEU HD13 H -9.245 -5.519 -0.475 1.00 . A A . 2 LEU HD13 1 1
3 453 1 1 2 LEU HD21 H -11.632 -2.618 1.523 1.00 . A A . 2 LEU HD21 1 1
3 454 1 1 2 LEU HD22 H -11.862 -4.350 1.757 1.00 . A A . 2 LEU HD22 1 1
3 455 1 1 2 LEU HD23 H -12.384 -3.586 0.255 1.00 . A A . 2 LEU HD23 1 1
3 456 1 1 2 LEU HG H -10.174 -3.320 -0.525 1.00 . A A . 2 LEU HG 1 1
3 457 1 1 2 LEU N N -9.952 -1.191 0.553 1.00 . A A . 2 LEU N 1 1
3 458 1 1 2 LEU O O -6.513 -2.201 0.326 1.00 . A A . 2 LEU O 1 1
3 459 1 1 3 SER C C -6.047 -0.272 -2.047 1.00 . A A . 3 SER C 1 1
3 460 1 1 3 SER CA C -7.012 -1.430 -2.279 1.00 . A A . 3 SER CA 1 1
3 461 1 1 3 SER CB C -7.713 -1.251 -3.625 1.00 . A A . 3 SER CB 1 1
3 462 1 1 3 SER H H -8.931 -1.255 -1.396 1.00 . A A . 3 SER H 1 1
3 463 1 1 3 SER HA H -6.454 -2.354 -2.297 1.00 . A A . 3 SER HA 1 1
3 464 1 1 3 SER HB2 H -8.144 -2.189 -3.937 1.00 . A A . 3 SER HB2 1 1
3 465 1 1 3 SER HB3 H -8.499 -0.513 -3.525 1.00 . A A . 3 SER HB3 1 1
3 466 1 1 3 SER HG H -6.611 0.113 -4.467 1.00 . A A . 3 SER HG 1 1
3 467 1 1 3 SER N N -8.001 -1.498 -1.208 1.00 . A A . 3 SER N 1 1
3 468 1 1 3 SER O O -4.883 -0.333 -2.441 1.00 . A A . 3 SER O 1 1
3 469 1 1 3 SER OG O -6.766 -0.826 -4.595 1.00 . A A . 3 SER OG 1 1
3 470 1 1 4 LEU C C -4.597 1.595 -0.145 1.00 . A A . 4 LEU C 1 1
3 471 1 1 4 LEU CA C -5.710 1.950 -1.125 1.00 . A A . 4 LEU CA 1 1
3 472 1 1 4 LEU CB C -6.570 3.075 -0.541 1.00 . A A . 4 LEU CB 1 1
3 473 1 1 4 LEU CD1 C -8.275 2.748 -2.343 1.00 . A A . 4 LEU CD1 1 1
3 474 1 1 4 LEU CD2 C -8.192 4.898 -1.070 1.00 . A A . 4 LEU CD2 1 1
3 475 1 1 4 LEU CG C -7.353 3.762 -1.661 1.00 . A A . 4 LEU CG 1 1
3 476 1 1 4 LEU H H -7.475 0.776 -1.112 1.00 . A A . 4 LEU H 1 1
3 477 1 1 4 LEU HA H -5.267 2.294 -2.048 1.00 . A A . 4 LEU HA 1 1
3 478 1 1 4 LEU HB2 H -7.261 2.660 0.180 1.00 . A A . 4 LEU HB2 1 1
3 479 1 1 4 LEU HB3 H -5.934 3.799 -0.053 1.00 . A A . 4 LEU HB3 1 1
3 480 1 1 4 LEU HD11 H -7.696 2.126 -3.009 1.00 . A A . 4 LEU HD11 1 1
3 481 1 1 4 LEU HD12 H -9.032 3.272 -2.907 1.00 . A A . 4 LEU HD12 1 1
3 482 1 1 4 LEU HD13 H -8.748 2.130 -1.594 1.00 . A A . 4 LEU HD13 1 1
3 483 1 1 4 LEU HD21 H -8.585 5.509 -1.870 1.00 . A A . 4 LEU HD21 1 1
3 484 1 1 4 LEU HD22 H -7.574 5.504 -0.425 1.00 . A A . 4 LEU HD22 1 1
3 485 1 1 4 LEU HD23 H -9.009 4.483 -0.500 1.00 . A A . 4 LEU HD23 1 1
3 486 1 1 4 LEU HG H -6.661 4.164 -2.388 1.00 . A A . 4 LEU HG 1 1
3 487 1 1 4 LEU N N -6.539 0.782 -1.404 1.00 . A A . 4 LEU N 1 1
3 488 1 1 4 LEU O O -3.497 2.144 -0.213 1.00 . A A . 4 LEU O 1 1
3 489 1 1 5 LEU C C -2.665 -0.314 1.069 1.00 . A A . 5 LEU C 1 1
3 490 1 1 5 LEU CA C -3.903 0.252 1.756 1.00 . A A . 5 LEU CA 1 1
3 491 1 1 5 LEU CB C -4.512 -0.809 2.680 1.00 . A A . 5 LEU CB 1 1
3 492 1 1 5 LEU CD1 C -6.403 0.787 3.054 1.00 . A A . 5 LEU CD1 1 1
3 493 1 1 5 LEU CD2 C -6.133 -1.201 4.542 1.00 . A A . 5 LEU CD2 1 1
3 494 1 1 5 LEU CG C -5.388 -0.132 3.738 1.00 . A A . 5 LEU CG 1 1
3 495 1 1 5 LEU H H -5.781 0.268 0.773 1.00 . A A . 5 LEU H 1 1
3 496 1 1 5 LEU HA H -3.615 1.107 2.348 1.00 . A A . 5 LEU HA 1 1
3 497 1 1 5 LEU HB2 H -5.114 -1.490 2.096 1.00 . A A . 5 LEU HB2 1 1
3 498 1 1 5 LEU HB3 H -3.722 -1.359 3.169 1.00 . A A . 5 LEU HB3 1 1
3 499 1 1 5 LEU HD11 H -6.848 0.271 2.217 1.00 . A A . 5 LEU HD11 1 1
3 500 1 1 5 LEU HD12 H -5.902 1.678 2.703 1.00 . A A . 5 LEU HD12 1 1
3 501 1 1 5 LEU HD13 H -7.173 1.061 3.760 1.00 . A A . 5 LEU HD13 1 1
3 502 1 1 5 LEU HD21 H -6.904 -1.641 3.928 1.00 . A A . 5 LEU HD21 1 1
3 503 1 1 5 LEU HD22 H -6.581 -0.747 5.414 1.00 . A A . 5 LEU HD22 1 1
3 504 1 1 5 LEU HD23 H -5.438 -1.967 4.851 1.00 . A A . 5 LEU HD23 1 1
3 505 1 1 5 LEU HG H -4.765 0.451 4.400 1.00 . A A . 5 LEU HG 1 1
3 506 1 1 5 LEU N N -4.889 0.672 0.767 1.00 . A A . 5 LEU N 1 1
3 507 1 1 5 LEU O O -1.536 -0.001 1.445 1.00 . A A . 5 LEU O 1 1
3 508 1 1 6 LEU C C -0.805 -0.679 -1.164 1.00 . A A . 6 LEU C 1 1
3 509 1 1 6 LEU CA C -1.776 -1.752 -0.676 1.00 . A A . 6 LEU CA 1 1
3 510 1 1 6 LEU CB C -2.313 -2.541 -1.873 1.00 . A A . 6 LEU CB 1 1
3 511 1 1 6 LEU CD1 C -3.952 -4.289 -2.586 1.00 . A A . 6 LEU CD1 1 1
3 512 1 1 6 LEU CD2 C -3.219 -4.167 -0.201 1.00 . A A . 6 LEU CD2 1 1
3 513 1 1 6 LEU CG C -3.546 -3.346 -1.452 1.00 . A A . 6 LEU CG 1 1
3 514 1 1 6 LEU H H -3.804 -1.360 -0.199 1.00 . A A . 6 LEU H 1 1
3 515 1 1 6 LEU HA H -1.250 -2.428 -0.021 1.00 . A A . 6 LEU HA 1 1
3 516 1 1 6 LEU HB2 H -2.584 -1.856 -2.663 1.00 . A A . 6 LEU HB2 1 1
3 517 1 1 6 LEU HB3 H -1.551 -3.217 -2.230 1.00 . A A . 6 LEU HB3 1 1
3 518 1 1 6 LEU HD11 H -4.850 -4.820 -2.309 1.00 . A A . 6 LEU HD11 1 1
3 519 1 1 6 LEU HD12 H -3.156 -4.997 -2.769 1.00 . A A . 6 LEU HD12 1 1
3 520 1 1 6 LEU HD13 H -4.136 -3.715 -3.483 1.00 . A A . 6 LEU HD13 1 1
3 521 1 1 6 LEU HD21 H -3.201 -3.517 0.662 1.00 . A A . 6 LEU HD21 1 1
3 522 1 1 6 LEU HD22 H -2.253 -4.634 -0.319 1.00 . A A . 6 LEU HD22 1 1
3 523 1 1 6 LEU HD23 H -3.973 -4.928 -0.063 1.00 . A A . 6 LEU HD23 1 1
3 524 1 1 6 LEU HG H -4.361 -2.670 -1.239 1.00 . A A . 6 LEU HG 1 1
3 525 1 1 6 LEU N N -2.884 -1.148 0.059 1.00 . A A . 6 LEU N 1 1
3 526 1 1 6 LEU O O 0.385 -0.937 -1.336 1.00 . A A . 6 LEU O 1 1
3 527 1 1 7 SER C C 0.730 1.824 -0.995 1.00 . A A . 7 SER C 1 1
3 528 1 1 7 SER CA C -0.507 1.629 -1.872 1.00 . A A . 7 SER CA 1 1
3 529 1 1 7 SER CB C -1.331 2.915 -1.881 1.00 . A A . 7 SER CB 1 1
3 530 1 1 7 SER H H -2.285 0.663 -1.244 1.00 . A A . 7 SER H 1 1
3 531 1 1 7 SER HA H -0.187 1.415 -2.880 1.00 . A A . 7 SER HA 1 1
3 532 1 1 7 SER HB2 H -2.278 2.735 -2.362 1.00 . A A . 7 SER HB2 1 1
3 533 1 1 7 SER HB3 H -1.502 3.240 -0.864 1.00 . A A . 7 SER HB3 1 1
3 534 1 1 7 SER HG H -1.223 4.292 -3.252 1.00 . A A . 7 SER HG 1 1
3 535 1 1 7 SER N N -1.328 0.521 -1.394 1.00 . A A . 7 SER N 1 1
3 536 1 1 7 SER O O 1.800 2.176 -1.491 1.00 . A A . 7 SER O 1 1
3 537 1 1 7 SER OG O -0.625 3.919 -2.600 1.00 . A A . 7 SER OG 1 1
3 538 1 1 8 LEU C C 2.717 0.645 1.064 1.00 . A A . 8 LEU C 1 1
3 539 1 1 8 LEU CA C 1.698 1.770 1.231 1.00 . A A . 8 LEU CA 1 1
3 540 1 1 8 LEU CB C 1.190 1.813 2.681 1.00 . A A . 8 LEU CB 1 1
3 541 1 1 8 LEU CD1 C 1.965 -0.212 3.962 1.00 . A A . 8 LEU CD1 1 1
3 542 1 1 8 LEU CD2 C -0.435 0.474 4.054 1.00 . A A . 8 LEU CD2 1 1
3 543 1 1 8 LEU CG C 0.810 0.399 3.159 1.00 . A A . 8 LEU CG 1 1
3 544 1 1 8 LEU H H -0.296 1.330 0.653 1.00 . A A . 8 LEU H 1 1
3 545 1 1 8 LEU HA H 2.184 2.710 1.013 1.00 . A A . 8 LEU HA 1 1
3 546 1 1 8 LEU HB2 H 1.967 2.212 3.318 1.00 . A A . 8 LEU HB2 1 1
3 547 1 1 8 LEU HB3 H 0.324 2.455 2.733 1.00 . A A . 8 LEU HB3 1 1
3 548 1 1 8 LEU HD11 H 1.929 0.148 4.980 1.00 . A A . 8 LEU HD11 1 1
3 549 1 1 8 LEU HD12 H 2.907 0.071 3.516 1.00 . A A . 8 LEU HD12 1 1
3 550 1 1 8 LEU HD13 H 1.875 -1.288 3.958 1.00 . A A . 8 LEU HD13 1 1
3 551 1 1 8 LEU HD21 H -0.747 -0.525 4.321 1.00 . A A . 8 LEU HD21 1 1
3 552 1 1 8 LEU HD22 H -1.234 0.970 3.524 1.00 . A A . 8 LEU HD22 1 1
3 553 1 1 8 LEU HD23 H -0.200 1.030 4.950 1.00 . A A . 8 LEU HD23 1 1
3 554 1 1 8 LEU HG H 0.598 -0.228 2.305 1.00 . A A . 8 LEU HG 1 1
3 555 1 1 8 LEU N N 0.579 1.603 0.307 1.00 . A A . 8 LEU N 1 1
3 556 1 1 8 LEU O O 3.903 0.823 1.339 1.00 . A A . 8 LEU O 1 1
3 557 1 1 9 GLY C C 4.188 -1.400 -0.614 1.00 . A A . 9 GLY C 1 1
3 558 1 1 9 GLY CA C 3.114 -1.669 0.436 1.00 . A A . 9 GLY CA 1 1
3 559 1 1 9 GLY H H 1.292 -0.598 0.430 1.00 . A A . 9 GLY H 1 1
3 560 1 1 9 GLY HA2 H 3.592 -1.908 1.375 1.00 . A A . 9 GLY HA2 1 1
3 561 1 1 9 GLY HA3 H 2.518 -2.512 0.119 1.00 . A A . 9 GLY HA3 1 1
3 562 1 1 9 GLY N N 2.244 -0.514 0.624 1.00 . A A . 9 GLY N 1 1
3 563 1 1 9 GLY O O 5.363 -1.692 -0.396 1.00 . A A . 9 GLY O 1 1
3 564 1 1 10 LEU C C 5.616 0.623 -2.460 1.00 . A A . 10 LEU C 1 1
3 565 1 1 10 LEU CA C 4.738 -0.569 -2.824 1.00 . A A . 10 LEU CA 1 1
3 566 1 1 10 LEU CB C 3.997 -0.305 -4.143 1.00 . A A . 10 LEU CB 1 1
3 567 1 1 10 LEU CD1 C 4.337 2.059 -4.933 1.00 . A A . 10 LEU CD1 1 1
3 568 1 1 10 LEU CD2 C 2.034 1.097 -4.836 1.00 . A A . 10 LEU CD2 1 1
3 569 1 1 10 LEU CG C 3.408 1.117 -4.157 1.00 . A A . 10 LEU CG 1 1
3 570 1 1 10 LEU H H 2.835 -0.646 -1.885 1.00 . A A . 10 LEU H 1 1
3 571 1 1 10 LEU HA H 5.372 -1.432 -2.952 1.00 . A A . 10 LEU HA 1 1
3 572 1 1 10 LEU HB2 H 4.688 -0.418 -4.967 1.00 . A A . 10 LEU HB2 1 1
3 573 1 1 10 LEU HB3 H 3.200 -1.026 -4.250 1.00 . A A . 10 LEU HB3 1 1
3 574 1 1 10 LEU HD11 H 4.116 3.083 -4.668 1.00 . A A . 10 LEU HD11 1 1
3 575 1 1 10 LEU HD12 H 4.185 1.922 -5.994 1.00 . A A . 10 LEU HD12 1 1
3 576 1 1 10 LEU HD13 H 5.364 1.837 -4.688 1.00 . A A . 10 LEU HD13 1 1
3 577 1 1 10 LEU HD21 H 2.144 0.771 -5.860 1.00 . A A . 10 LEU HD21 1 1
3 578 1 1 10 LEU HD22 H 1.608 2.090 -4.819 1.00 . A A . 10 LEU HD22 1 1
3 579 1 1 10 LEU HD23 H 1.381 0.417 -4.309 1.00 . A A . 10 LEU HD23 1 1
3 580 1 1 10 LEU HG H 3.300 1.476 -3.143 1.00 . A A . 10 LEU HG 1 1
3 581 1 1 10 LEU N N 3.784 -0.853 -1.757 1.00 . A A . 10 LEU N 1 1
3 582 1 1 10 LEU O O 6.728 0.762 -2.969 1.00 . A A . 10 LEU O 1 1
3 583 1 1 11 LYS C C 7.157 2.194 -0.452 1.00 . A A . 11 LYS C 1 1
3 584 1 1 11 LYS CA C 5.879 2.644 -1.153 1.00 . A A . 11 LYS CA 1 1
3 585 1 1 11 LYS CB C 5.024 3.520 -0.218 1.00 . A A . 11 LYS CB 1 1
3 586 1 1 11 LYS CD C 6.761 5.341 -0.052 1.00 . A A . 11 LYS CD 1 1
3 587 1 1 11 LYS CE C 7.953 5.782 0.802 1.00 . A A . 11 LYS CE 1 1
3 588 1 1 11 LYS CG C 5.904 4.344 0.738 1.00 . A A . 11 LYS CG 1 1
3 589 1 1 11 LYS H H 4.228 1.317 -1.195 1.00 . A A . 11 LYS H 1 1
3 590 1 1 11 LYS HA H 6.144 3.218 -2.029 1.00 . A A . 11 LYS HA 1 1
3 591 1 1 11 LYS HB2 H 4.423 4.191 -0.813 1.00 . A A . 11 LYS HB2 1 1
3 592 1 1 11 LYS HB3 H 4.373 2.883 0.361 1.00 . A A . 11 LYS HB3 1 1
3 593 1 1 11 LYS HD2 H 7.121 4.878 -0.957 1.00 . A A . 11 LYS HD2 1 1
3 594 1 1 11 LYS HD3 H 6.165 6.205 -0.304 1.00 . A A . 11 LYS HD3 1 1
3 595 1 1 11 LYS HE2 H 8.384 6.680 0.381 1.00 . A A . 11 LYS HE2 1 1
3 596 1 1 11 LYS HE3 H 7.621 5.980 1.810 1.00 . A A . 11 LYS HE3 1 1
3 597 1 1 11 LYS HG2 H 5.269 4.889 1.421 1.00 . A A . 11 LYS HG2 1 1
3 598 1 1 11 LYS HG3 H 6.546 3.685 1.303 1.00 . A A . 11 LYS HG3 1 1
3 599 1 1 11 LYS HZ1 H 9.218 4.431 -0.156 1.00 . A A . 11 LYS HZ1 1 1
3 600 1 1 11 LYS HZ2 H 8.604 3.875 1.328 1.00 . A A . 11 LYS HZ2 1 1
3 601 1 1 11 LYS HZ3 H 9.837 5.043 1.300 1.00 . A A . 11 LYS HZ3 1 1
3 602 1 1 11 LYS N N 5.117 1.477 -1.574 1.00 . A A . 11 LYS N 1 1
3 603 1 1 11 LYS NZ N 8.980 4.702 0.820 1.00 . A A . 11 LYS NZ 1 1
3 604 1 1 11 LYS O O 8.181 2.875 -0.512 1.00 . A A . 11 LYS O 1 1
3 605 1 1 12 LEU C C 9.400 0.283 -0.069 1.00 . A A . 12 LEU C 1 1
3 606 1 1 12 LEU CA C 8.259 0.523 0.916 1.00 . A A . 12 LEU CA 1 1
3 607 1 1 12 LEU CB C 7.900 -0.791 1.629 1.00 . A A . 12 LEU CB 1 1
3 608 1 1 12 LEU CD1 C 8.733 -0.286 3.949 1.00 . A A . 12 LEU CD1 1 1
3 609 1 1 12 LEU CD2 C 6.562 0.695 3.172 1.00 . A A . 12 LEU CD2 1 1
3 610 1 1 12 LEU CG C 7.488 -0.528 3.089 1.00 . A A . 12 LEU CG 1 1
3 611 1 1 12 LEU H H 6.247 0.537 0.227 1.00 . A A . 12 LEU H 1 1
3 612 1 1 12 LEU HA H 8.579 1.248 1.645 1.00 . A A . 12 LEU HA 1 1
3 613 1 1 12 LEU HB2 H 7.079 -1.262 1.109 1.00 . A A . 12 LEU HB2 1 1
3 614 1 1 12 LEU HB3 H 8.753 -1.453 1.614 1.00 . A A . 12 LEU HB3 1 1
3 615 1 1 12 LEU HD11 H 9.488 -1.022 3.712 1.00 . A A . 12 LEU HD11 1 1
3 616 1 1 12 LEU HD12 H 8.469 -0.370 4.993 1.00 . A A . 12 LEU HD12 1 1
3 617 1 1 12 LEU HD13 H 9.122 0.702 3.757 1.00 . A A . 12 LEU HD13 1 1
3 618 1 1 12 LEU HD21 H 5.873 0.566 3.994 1.00 . A A . 12 LEU HD21 1 1
3 619 1 1 12 LEU HD22 H 6.005 0.792 2.253 1.00 . A A . 12 LEU HD22 1 1
3 620 1 1 12 LEU HD23 H 7.147 1.588 3.333 1.00 . A A . 12 LEU HD23 1 1
3 621 1 1 12 LEU HG H 6.964 -1.395 3.464 1.00 . A A . 12 LEU HG 1 1
3 622 1 1 12 LEU N N 7.092 1.044 0.211 1.00 . A A . 12 LEU N 1 1
3 623 1 1 12 LEU O O 10.494 0.821 0.093 1.00 . A A . 12 LEU O 1 1
3 624 1 1 13 LEU C C 9.486 -1.056 -3.458 1.00 . A A . 13 LEU C 1 1
3 625 1 1 13 LEU CA C 10.144 -0.827 -2.102 1.00 . A A . 13 LEU CA 1 1
3 626 1 1 13 LEU CB C 10.936 -2.079 -1.703 1.00 . A A . 13 LEU CB 1 1
3 627 1 1 13 LEU CD1 C 12.577 -3.047 -0.088 1.00 . A A . 13 LEU CD1 1 1
3 628 1 1 13 LEU CD2 C 12.946 -0.741 -0.990 1.00 . A A . 13 LEU CD2 1 1
3 629 1 1 13 LEU CG C 11.886 -1.760 -0.540 1.00 . A A . 13 LEU CG 1 1
3 630 1 1 13 LEU H H 8.242 -0.922 -1.171 1.00 . A A . 13 LEU H 1 1
3 631 1 1 13 LEU HA H 10.823 0.007 -2.183 1.00 . A A . 13 LEU HA 1 1
3 632 1 1 13 LEU HB2 H 10.247 -2.854 -1.399 1.00 . A A . 13 LEU HB2 1 1
3 633 1 1 13 LEU HB3 H 11.510 -2.423 -2.549 1.00 . A A . 13 LEU HB3 1 1
3 634 1 1 13 LEU HD11 H 11.844 -3.722 0.331 1.00 . A A . 13 LEU HD11 1 1
3 635 1 1 13 LEU HD12 H 13.319 -2.813 0.660 1.00 . A A . 13 LEU HD12 1 1
3 636 1 1 13 LEU HD13 H 13.056 -3.516 -0.935 1.00 . A A . 13 LEU HD13 1 1
3 637 1 1 13 LEU HD21 H 13.866 -0.915 -0.450 1.00 . A A . 13 LEU HD21 1 1
3 638 1 1 13 LEU HD22 H 12.595 0.258 -0.782 1.00 . A A . 13 LEU HD22 1 1
3 639 1 1 13 LEU HD23 H 13.126 -0.846 -2.050 1.00 . A A . 13 LEU HD23 1 1
3 640 1 1 13 LEU HG H 11.320 -1.353 0.284 1.00 . A A . 13 LEU HG 1 1
3 641 1 1 13 LEU N N 9.134 -0.525 -1.091 1.00 . A A . 13 LEU N 1 1
3 642 1 1 13 LEU O O 9.975 -0.574 -4.480 1.00 . A A . 13 LEU O 1 1
3 643 1 1 14 NH2 HN1 H 7.966 -1.924 -4.396 1.00 . A A . 14 NH2 HN1 1 1
3 644 1 1 14 NH2 HN2 H 8.006 -2.153 -2.714 1.00 . A A . 14 NH2 HN2 1 1
3 645 1 1 14 NH2 N N 8.395 -1.770 -3.528 1.00 . A A . 14 NH2 N 1 1
4 646 1 1 1 GLY C C -9.392 0.381 1.011 1.00 . A A . 1 GLY C 1 1
4 647 1 1 1 GLY CA C -10.611 1.293 0.935 1.00 . A A . 1 GLY CA 1 1
4 648 1 1 1 GLY H1 H -11.975 0.605 -0.480 1.00 . A A . 1 GLY H1 1 1
4 649 1 1 1 GLY H2 H -12.638 0.834 1.068 1.00 . A A . 1 GLY H2 1 1
4 650 1 1 1 GLY H3 H -11.642 -0.507 0.756 1.00 . A A . 1 GLY H3 1 1
4 651 1 1 1 GLY HA2 H -10.437 2.068 0.202 1.00 . A A . 1 GLY HA2 1 1
4 652 1 1 1 GLY HA3 H -10.780 1.742 1.902 1.00 . A A . 1 GLY HA3 1 1
4 653 1 1 1 GLY N N -11.806 0.496 0.540 1.00 . A A . 1 GLY N 1 1
4 654 1 1 1 GLY O O -8.266 0.809 0.760 1.00 . A A . 1 GLY O 1 1
4 655 1 1 2 LEU C C -7.697 -1.850 0.192 1.00 . A A . 2 LEU C 1 1
4 656 1 1 2 LEU CA C -8.537 -1.847 1.465 1.00 . A A . 2 LEU CA 1 1
4 657 1 1 2 LEU CB C -9.105 -3.250 1.711 1.00 . A A . 2 LEU CB 1 1
4 658 1 1 2 LEU CD1 C -9.369 -4.554 -0.422 1.00 . A A . 2 LEU CD1 1 1
4 659 1 1 2 LEU CD2 C -11.286 -4.364 1.163 1.00 . A A . 2 LEU CD2 1 1
4 660 1 1 2 LEU CG C -10.074 -3.633 0.578 1.00 . A A . 2 LEU CG 1 1
4 661 1 1 2 LEU H H -10.542 -1.167 1.547 1.00 . A A . 2 LEU H 1 1
4 662 1 1 2 LEU HA H -7.908 -1.576 2.299 1.00 . A A . 2 LEU HA 1 1
4 663 1 1 2 LEU HB2 H -8.293 -3.961 1.754 1.00 . A A . 2 LEU HB2 1 1
4 664 1 1 2 LEU HB3 H -9.634 -3.256 2.654 1.00 . A A . 2 LEU HB3 1 1
4 665 1 1 2 LEU HD11 H -9.002 -5.430 0.092 1.00 . A A . 2 LEU HD11 1 1
4 666 1 1 2 LEU HD12 H -8.542 -4.030 -0.877 1.00 . A A . 2 LEU HD12 1 1
4 667 1 1 2 LEU HD13 H -10.068 -4.855 -1.188 1.00 . A A . 2 LEU HD13 1 1
4 668 1 1 2 LEU HD21 H -11.823 -3.700 1.824 1.00 . A A . 2 LEU HD21 1 1
4 669 1 1 2 LEU HD22 H -10.952 -5.230 1.716 1.00 . A A . 2 LEU HD22 1 1
4 670 1 1 2 LEU HD23 H -11.938 -4.679 0.362 1.00 . A A . 2 LEU HD23 1 1
4 671 1 1 2 LEU HG H -10.406 -2.740 0.067 1.00 . A A . 2 LEU HG 1 1
4 672 1 1 2 LEU N N -9.625 -0.881 1.358 1.00 . A A . 2 LEU N 1 1
4 673 1 1 2 LEU O O -6.590 -2.389 0.169 1.00 . A A . 2 LEU O 1 1
4 674 1 1 3 SER C C -6.301 -0.273 -2.028 1.00 . A A . 3 SER C 1 1
4 675 1 1 3 SER CA C -7.520 -1.184 -2.137 1.00 . A A . 3 SER CA 1 1
4 676 1 1 3 SER CB C -8.452 -0.662 -3.231 1.00 . A A . 3 SER CB 1 1
4 677 1 1 3 SER H H -9.116 -0.833 -0.787 1.00 . A A . 3 SER H 1 1
4 678 1 1 3 SER HA H -7.193 -2.177 -2.404 1.00 . A A . 3 SER HA 1 1
4 679 1 1 3 SER HB2 H -7.899 -0.523 -4.143 1.00 . A A . 3 SER HB2 1 1
4 680 1 1 3 SER HB3 H -9.245 -1.379 -3.398 1.00 . A A . 3 SER HB3 1 1
4 681 1 1 3 SER HG H -9.128 0.556 -1.871 1.00 . A A . 3 SER HG 1 1
4 682 1 1 3 SER N N -8.229 -1.245 -0.865 1.00 . A A . 3 SER N 1 1
4 683 1 1 3 SER O O -5.277 -0.511 -2.668 1.00 . A A . 3 SER O 1 1
4 684 1 1 3 SER OG O -9.003 0.584 -2.823 1.00 . A A . 3 SER OG 1 1
4 685 1 1 4 LEU C C -4.234 1.109 -0.145 1.00 . A A . 4 LEU C 1 1
4 686 1 1 4 LEU CA C -5.319 1.714 -1.035 1.00 . A A . 4 LEU CA 1 1
4 687 1 1 4 LEU CB C -5.840 3.008 -0.402 1.00 . A A . 4 LEU CB 1 1
4 688 1 1 4 LEU CD1 C -7.634 3.026 -2.145 1.00 . A A . 4 LEU CD1 1 1
4 689 1 1 4 LEU CD2 C -7.172 5.082 -0.802 1.00 . A A . 4 LEU CD2 1 1
4 690 1 1 4 LEU CG C -6.541 3.855 -1.465 1.00 . A A . 4 LEU CG 1 1
4 691 1 1 4 LEU H H -7.259 0.915 -0.734 1.00 . A A . 4 LEU H 1 1
4 692 1 1 4 LEU HA H -4.891 1.945 -1.998 1.00 . A A . 4 LEU HA 1 1
4 693 1 1 4 LEU HB2 H -6.539 2.768 0.386 1.00 . A A . 4 LEU HB2 1 1
4 694 1 1 4 LEU HB3 H -5.012 3.566 0.010 1.00 . A A . 4 LEU HB3 1 1
4 695 1 1 4 LEU HD11 H -8.319 3.683 -2.660 1.00 . A A . 4 LEU HD11 1 1
4 696 1 1 4 LEU HD12 H -8.172 2.458 -1.401 1.00 . A A . 4 LEU HD12 1 1
4 697 1 1 4 LEU HD13 H -7.181 2.351 -2.857 1.00 . A A . 4 LEU HD13 1 1
4 698 1 1 4 LEU HD21 H -7.518 5.765 -1.563 1.00 . A A . 4 LEU HD21 1 1
4 699 1 1 4 LEU HD22 H -6.436 5.575 -0.184 1.00 . A A . 4 LEU HD22 1 1
4 700 1 1 4 LEU HD23 H -8.006 4.772 -0.190 1.00 . A A . 4 LEU HD23 1 1
4 701 1 1 4 LEU HG H -5.820 4.175 -2.204 1.00 . A A . 4 LEU HG 1 1
4 702 1 1 4 LEU N N -6.419 0.773 -1.217 1.00 . A A . 4 LEU N 1 1
4 703 1 1 4 LEU O O -3.075 1.519 -0.200 1.00 . A A . 4 LEU O 1 1
4 704 1 1 5 LEU C C -2.467 -1.036 0.823 1.00 . A A . 5 LEU C 1 1
4 705 1 1 5 LEU CA C -3.678 -0.507 1.583 1.00 . A A . 5 LEU CA 1 1
4 706 1 1 5 LEU CB C -4.367 -1.662 2.318 1.00 . A A . 5 LEU CB 1 1
4 707 1 1 5 LEU CD1 C -4.029 -1.170 4.756 1.00 . A A . 5 LEU CD1 1 1
4 708 1 1 5 LEU CD2 C -3.797 -3.509 3.911 1.00 . A A . 5 LEU CD2 1 1
4 709 1 1 5 LEU CG C -3.568 -2.031 3.576 1.00 . A A . 5 LEU CG 1 1
4 710 1 1 5 LEU H H -5.561 -0.139 0.683 1.00 . A A . 5 LEU H 1 1
4 711 1 1 5 LEU HA H -3.341 0.217 2.310 1.00 . A A . 5 LEU HA 1 1
4 712 1 1 5 LEU HB2 H -5.367 -1.362 2.598 1.00 . A A . 5 LEU HB2 1 1
4 713 1 1 5 LEU HB3 H -4.422 -2.519 1.663 1.00 . A A . 5 LEU HB3 1 1
4 714 1 1 5 LEU HD11 H -3.299 -1.225 5.549 1.00 . A A . 5 LEU HD11 1 1
4 715 1 1 5 LEU HD12 H -4.981 -1.532 5.116 1.00 . A A . 5 LEU HD12 1 1
4 716 1 1 5 LEU HD13 H -4.133 -0.144 4.435 1.00 . A A . 5 LEU HD13 1 1
4 717 1 1 5 LEU HD21 H -4.857 -3.708 3.955 1.00 . A A . 5 LEU HD21 1 1
4 718 1 1 5 LEU HD22 H -3.348 -3.734 4.868 1.00 . A A . 5 LEU HD22 1 1
4 719 1 1 5 LEU HD23 H -3.346 -4.125 3.148 1.00 . A A . 5 LEU HD23 1 1
4 720 1 1 5 LEU HG H -2.515 -1.861 3.398 1.00 . A A . 5 LEU HG 1 1
4 721 1 1 5 LEU N N -4.622 0.141 0.679 1.00 . A A . 5 LEU N 1 1
4 722 1 1 5 LEU O O -1.350 -1.036 1.341 1.00 . A A . 5 LEU O 1 1
4 723 1 1 6 LEU C C -0.711 -0.869 -1.714 1.00 . A A . 6 LEU C 1 1
4 724 1 1 6 LEU CA C -1.595 -2.009 -1.216 1.00 . A A . 6 LEU CA 1 1
4 725 1 1 6 LEU CB C -2.148 -2.806 -2.405 1.00 . A A . 6 LEU CB 1 1
4 726 1 1 6 LEU CD1 C -1.780 -1.604 -4.584 1.00 . A A . 6 LEU CD1 1 1
4 727 1 1 6 LEU CD2 C -4.048 -2.481 -4.015 1.00 . A A . 6 LEU CD2 1 1
4 728 1 1 6 LEU CG C -2.771 -1.854 -3.442 1.00 . A A . 6 LEU CG 1 1
4 729 1 1 6 LEU H H -3.596 -1.465 -0.772 1.00 . A A . 6 LEU H 1 1
4 730 1 1 6 LEU HA H -0.997 -2.669 -0.605 1.00 . A A . 6 LEU HA 1 1
4 731 1 1 6 LEU HB2 H -1.344 -3.365 -2.863 1.00 . A A . 6 LEU HB2 1 1
4 732 1 1 6 LEU HB3 H -2.902 -3.494 -2.050 1.00 . A A . 6 LEU HB3 1 1
4 733 1 1 6 LEU HD11 H -2.055 -0.700 -5.108 1.00 . A A . 6 LEU HD11 1 1
4 734 1 1 6 LEU HD12 H -1.801 -2.437 -5.270 1.00 . A A . 6 LEU HD12 1 1
4 735 1 1 6 LEU HD13 H -0.784 -1.497 -4.183 1.00 . A A . 6 LEU HD13 1 1
4 736 1 1 6 LEU HD21 H -4.515 -1.786 -4.698 1.00 . A A . 6 LEU HD21 1 1
4 737 1 1 6 LEU HD22 H -4.732 -2.709 -3.211 1.00 . A A . 6 LEU HD22 1 1
4 738 1 1 6 LEU HD23 H -3.797 -3.389 -4.542 1.00 . A A . 6 LEU HD23 1 1
4 739 1 1 6 LEU HG H -3.015 -0.913 -2.969 1.00 . A A . 6 LEU HG 1 1
4 740 1 1 6 LEU N N -2.688 -1.486 -0.405 1.00 . A A . 6 LEU N 1 1
4 741 1 1 6 LEU O O 0.481 -1.057 -1.954 1.00 . A A . 6 LEU O 1 1
4 742 1 1 7 SER C C 0.571 1.845 -1.410 1.00 . A A . 7 SER C 1 1
4 743 1 1 7 SER CA C -0.572 1.477 -2.356 1.00 . A A . 7 SER CA 1 1
4 744 1 1 7 SER CB C -1.522 2.667 -2.492 1.00 . A A . 7 SER CB 1 1
4 745 1 1 7 SER H H -2.262 0.395 -1.671 1.00 . A A . 7 SER H 1 1
4 746 1 1 7 SER HA H -0.161 1.252 -3.327 1.00 . A A . 7 SER HA 1 1
4 747 1 1 7 SER HB2 H -2.405 2.366 -3.029 1.00 . A A . 7 SER HB2 1 1
4 748 1 1 7 SER HB3 H -1.804 3.015 -1.507 1.00 . A A . 7 SER HB3 1 1
4 749 1 1 7 SER HG H -1.479 4.448 -3.274 1.00 . A A . 7 SER HG 1 1
4 750 1 1 7 SER N N -1.307 0.310 -1.874 1.00 . A A . 7 SER N 1 1
4 751 1 1 7 SER O O 1.721 1.957 -1.832 1.00 . A A . 7 SER O 1 1
4 752 1 1 7 SER OG O -0.870 3.709 -3.207 1.00 . A A . 7 SER OG 1 1
4 753 1 1 8 LEU C C 2.342 1.308 0.930 1.00 . A A . 8 LEU C 1 1
4 754 1 1 8 LEU CA C 1.271 2.395 0.848 1.00 . A A . 8 LEU CA 1 1
4 755 1 1 8 LEU CB C 0.651 2.624 2.242 1.00 . A A . 8 LEU CB 1 1
4 756 1 1 8 LEU CD1 C -1.058 1.628 3.777 1.00 . A A . 8 LEU CD1 1 1
4 757 1 1 8 LEU CD2 C -1.793 2.995 1.822 1.00 . A A . 8 LEU CD2 1 1
4 758 1 1 8 LEU CG C -0.747 1.994 2.323 1.00 . A A . 8 LEU CG 1 1
4 759 1 1 8 LEU H H -0.682 1.936 0.151 1.00 . A A . 8 LEU H 1 1
4 760 1 1 8 LEU HA H 1.744 3.313 0.527 1.00 . A A . 8 LEU HA 1 1
4 761 1 1 8 LEU HB2 H 1.287 2.180 2.995 1.00 . A A . 8 LEU HB2 1 1
4 762 1 1 8 LEU HB3 H 0.573 3.687 2.427 1.00 . A A . 8 LEU HB3 1 1
4 763 1 1 8 LEU HD11 H -0.503 0.743 4.052 1.00 . A A . 8 LEU HD11 1 1
4 764 1 1 8 LEU HD12 H -2.116 1.436 3.883 1.00 . A A . 8 LEU HD12 1 1
4 765 1 1 8 LEU HD13 H -0.775 2.446 4.422 1.00 . A A . 8 LEU HD13 1 1
4 766 1 1 8 LEU HD21 H -2.774 2.546 1.872 1.00 . A A . 8 LEU HD21 1 1
4 767 1 1 8 LEU HD22 H -1.574 3.269 0.802 1.00 . A A . 8 LEU HD22 1 1
4 768 1 1 8 LEU HD23 H -1.771 3.878 2.444 1.00 . A A . 8 LEU HD23 1 1
4 769 1 1 8 LEU HG H -0.778 1.101 1.717 1.00 . A A . 8 LEU HG 1 1
4 770 1 1 8 LEU N N 0.251 2.035 -0.134 1.00 . A A . 8 LEU N 1 1
4 771 1 1 8 LEU O O 3.485 1.580 1.286 1.00 . A A . 8 LEU O 1 1
4 772 1 1 9 GLY C C 3.965 -0.928 -0.422 1.00 . A A . 9 GLY C 1 1
4 773 1 1 9 GLY CA C 2.895 -1.040 0.661 1.00 . A A . 9 GLY CA 1 1
4 774 1 1 9 GLY H H 1.036 -0.081 0.341 1.00 . A A . 9 GLY H 1 1
4 775 1 1 9 GLY HA2 H 3.372 -1.056 1.630 1.00 . A A . 9 GLY HA2 1 1
4 776 1 1 9 GLY HA3 H 2.348 -1.961 0.521 1.00 . A A . 9 GLY HA3 1 1
4 777 1 1 9 GLY N N 1.961 0.079 0.611 1.00 . A A . 9 GLY N 1 1
4 778 1 1 9 GLY O O 5.085 -1.404 -0.243 1.00 . A A . 9 GLY O 1 1
4 779 1 1 10 LEU C C 5.799 0.626 -2.205 1.00 . A A . 10 LEU C 1 1
4 780 1 1 10 LEU CA C 4.571 -0.163 -2.645 1.00 . A A . 10 LEU CA 1 1
4 781 1 1 10 LEU CB C 3.914 0.544 -3.832 1.00 . A A . 10 LEU CB 1 1
4 782 1 1 10 LEU CD1 C 1.967 0.519 -5.395 1.00 . A A . 10 LEU CD1 1 1
4 783 1 1 10 LEU CD2 C 2.685 -1.591 -4.267 1.00 . A A . 10 LEU CD2 1 1
4 784 1 1 10 LEU CG C 2.543 -0.074 -4.109 1.00 . A A . 10 LEU CG 1 1
4 785 1 1 10 LEU H H 2.710 0.047 -1.642 1.00 . A A . 10 LEU H 1 1
4 786 1 1 10 LEU HA H 4.891 -1.143 -2.956 1.00 . A A . 10 LEU HA 1 1
4 787 1 1 10 LEU HB2 H 3.796 1.594 -3.605 1.00 . A A . 10 LEU HB2 1 1
4 788 1 1 10 LEU HB3 H 4.539 0.435 -4.706 1.00 . A A . 10 LEU HB3 1 1
4 789 1 1 10 LEU HD11 H 0.993 0.092 -5.584 1.00 . A A . 10 LEU HD11 1 1
4 790 1 1 10 LEU HD12 H 2.624 0.296 -6.222 1.00 . A A . 10 LEU HD12 1 1
4 791 1 1 10 LEU HD13 H 1.875 1.590 -5.288 1.00 . A A . 10 LEU HD13 1 1
4 792 1 1 10 LEU HD21 H 1.813 -1.986 -4.767 1.00 . A A . 10 LEU HD21 1 1
4 793 1 1 10 LEU HD22 H 2.777 -2.048 -3.293 1.00 . A A . 10 LEU HD22 1 1
4 794 1 1 10 LEU HD23 H 3.566 -1.812 -4.853 1.00 . A A . 10 LEU HD23 1 1
4 795 1 1 10 LEU HG H 1.882 0.143 -3.286 1.00 . A A . 10 LEU HG 1 1
4 796 1 1 10 LEU N N 3.618 -0.309 -1.547 1.00 . A A . 10 LEU N 1 1
4 797 1 1 10 LEU O O 6.927 0.148 -2.320 1.00 . A A . 10 LEU O 1 1
4 798 1 1 11 LYS C C 7.582 1.889 -0.304 1.00 . A A . 11 LYS C 1 1
4 799 1 1 11 LYS CA C 6.681 2.669 -1.255 1.00 . A A . 11 LYS CA 1 1
4 800 1 1 11 LYS CB C 6.152 3.928 -0.556 1.00 . A A . 11 LYS CB 1 1
4 801 1 1 11 LYS CD C 5.603 4.392 1.859 1.00 . A A . 11 LYS CD 1 1
4 802 1 1 11 LYS CE C 6.843 3.821 2.557 1.00 . A A . 11 LYS CE 1 1
4 803 1 1 11 LYS CG C 5.257 3.536 0.633 1.00 . A A . 11 LYS CG 1 1
4 804 1 1 11 LYS H H 4.656 2.167 -1.634 1.00 . A A . 11 LYS H 1 1
4 805 1 1 11 LYS HA H 7.260 2.968 -2.116 1.00 . A A . 11 LYS HA 1 1
4 806 1 1 11 LYS HB2 H 6.989 4.516 -0.206 1.00 . A A . 11 LYS HB2 1 1
4 807 1 1 11 LYS HB3 H 5.577 4.512 -1.260 1.00 . A A . 11 LYS HB3 1 1
4 808 1 1 11 LYS HD2 H 5.800 5.408 1.548 1.00 . A A . 11 LYS HD2 1 1
4 809 1 1 11 LYS HD3 H 4.772 4.382 2.548 1.00 . A A . 11 LYS HD3 1 1
4 810 1 1 11 LYS HE2 H 7.700 3.921 1.906 1.00 . A A . 11 LYS HE2 1 1
4 811 1 1 11 LYS HE3 H 7.022 4.365 3.472 1.00 . A A . 11 LYS HE3 1 1
4 812 1 1 11 LYS HG2 H 4.221 3.695 0.369 1.00 . A A . 11 LYS HG2 1 1
4 813 1 1 11 LYS HG3 H 5.408 2.497 0.872 1.00 . A A . 11 LYS HG3 1 1
4 814 1 1 11 LYS HZ1 H 7.342 2.058 3.548 1.00 . A A . 11 LYS HZ1 1 1
4 815 1 1 11 LYS HZ2 H 6.695 1.820 1.995 1.00 . A A . 11 LYS HZ2 1 1
4 816 1 1 11 LYS HZ3 H 5.678 2.255 3.285 1.00 . A A . 11 LYS HZ3 1 1
4 817 1 1 11 LYS N N 5.575 1.833 -1.702 1.00 . A A . 11 LYS N 1 1
4 818 1 1 11 LYS NZ N 6.623 2.379 2.870 1.00 . A A . 11 LYS NZ 1 1
4 819 1 1 11 LYS O O 8.772 2.178 -0.184 1.00 . A A . 11 LYS O 1 1
4 820 1 1 12 LEU C C 8.915 -0.625 0.613 1.00 . A A . 12 LEU C 1 1
4 821 1 1 12 LEU CA C 7.770 0.096 1.322 1.00 . A A . 12 LEU CA 1 1
4 822 1 1 12 LEU CB C 6.846 -0.924 2.005 1.00 . A A . 12 LEU CB 1 1
4 823 1 1 12 LEU CD1 C 6.052 -1.814 4.201 1.00 . A A . 12 LEU CD1 1 1
4 824 1 1 12 LEU CD2 C 8.496 -1.504 3.794 1.00 . A A . 12 LEU CD2 1 1
4 825 1 1 12 LEU CG C 7.101 -0.938 3.515 1.00 . A A . 12 LEU CG 1 1
4 826 1 1 12 LEU H H 6.047 0.715 0.246 1.00 . A A . 12 LEU H 1 1
4 827 1 1 12 LEU HA H 8.187 0.751 2.073 1.00 . A A . 12 LEU HA 1 1
4 828 1 1 12 LEU HB2 H 5.817 -0.651 1.821 1.00 . A A . 12 LEU HB2 1 1
4 829 1 1 12 LEU HB3 H 7.032 -1.909 1.603 1.00 . A A . 12 LEU HB3 1 1
4 830 1 1 12 LEU HD11 H 6.144 -2.829 3.849 1.00 . A A . 12 LEU HD11 1 1
4 831 1 1 12 LEU HD12 H 5.064 -1.441 3.969 1.00 . A A . 12 LEU HD12 1 1
4 832 1 1 12 LEU HD13 H 6.204 -1.787 5.270 1.00 . A A . 12 LEU HD13 1 1
4 833 1 1 12 LEU HD21 H 8.708 -1.431 4.850 1.00 . A A . 12 LEU HD21 1 1
4 834 1 1 12 LEU HD22 H 9.232 -0.942 3.240 1.00 . A A . 12 LEU HD22 1 1
4 835 1 1 12 LEU HD23 H 8.531 -2.540 3.490 1.00 . A A . 12 LEU HD23 1 1
4 836 1 1 12 LEU HG H 7.034 0.070 3.898 1.00 . A A . 12 LEU HG 1 1
4 837 1 1 12 LEU N N 7.006 0.902 0.378 1.00 . A A . 12 LEU N 1 1
4 838 1 1 12 LEU O O 10.062 -0.570 1.058 1.00 . A A . 12 LEU O 1 1
4 839 1 1 13 LEU C C 9.746 -1.434 -2.659 1.00 . A A . 13 LEU C 1 1
4 840 1 1 13 LEU CA C 9.616 -2.021 -1.256 1.00 . A A . 13 LEU CA 1 1
4 841 1 1 13 LEU CB C 9.251 -3.510 -1.352 1.00 . A A . 13 LEU CB 1 1
4 842 1 1 13 LEU CD1 C 6.968 -3.799 -0.358 1.00 . A A . 13 LEU CD1 1 1
4 843 1 1 13 LEU CD2 C 8.787 -5.404 0.223 1.00 . A A . 13 LEU CD2 1 1
4 844 1 1 13 LEU CG C 8.469 -3.941 -0.100 1.00 . A A . 13 LEU CG 1 1
4 845 1 1 13 LEU H H 7.670 -1.303 -0.802 1.00 . A A . 13 LEU H 1 1
4 846 1 1 13 LEU HA H 10.568 -1.929 -0.752 1.00 . A A . 13 LEU HA 1 1
4 847 1 1 13 LEU HB2 H 8.644 -3.676 -2.231 1.00 . A A . 13 LEU HB2 1 1
4 848 1 1 13 LEU HB3 H 10.156 -4.094 -1.428 1.00 . A A . 13 LEU HB3 1 1
4 849 1 1 13 LEU HD11 H 6.433 -3.876 0.577 1.00 . A A . 13 LEU HD11 1 1
4 850 1 1 13 LEU HD12 H 6.642 -4.584 -1.025 1.00 . A A . 13 LEU HD12 1 1
4 851 1 1 13 LEU HD13 H 6.771 -2.840 -0.810 1.00 . A A . 13 LEU HD13 1 1
4 852 1 1 13 LEU HD21 H 8.188 -5.724 1.064 1.00 . A A . 13 LEU HD21 1 1
4 853 1 1 13 LEU HD22 H 9.833 -5.499 0.472 1.00 . A A . 13 LEU HD22 1 1
4 854 1 1 13 LEU HD23 H 8.562 -6.019 -0.634 1.00 . A A . 13 LEU HD23 1 1
4 855 1 1 13 LEU HG H 8.751 -3.318 0.736 1.00 . A A . 13 LEU HG 1 1
4 856 1 1 13 LEU N N 8.600 -1.297 -0.493 1.00 . A A . 13 LEU N 1 1
4 857 1 1 13 LEU O O 10.827 -1.002 -3.058 1.00 . A A . 13 LEU O 1 1
4 858 1 1 14 NH2 HN1 H 8.773 -1.019 -4.339 1.00 . A A . 14 NH2 HN1 1 1
4 859 1 1 14 NH2 HN2 H 7.838 -1.738 -3.119 1.00 . A A . 14 NH2 HN2 1 1
4 860 1 1 14 NH2 N N 8.699 -1.394 -3.437 1.00 . A A . 14 NH2 N 1 1
5 861 1 1 1 GLY C C -9.433 -0.963 0.355 1.00 . A A . 1 GLY C 1 1
5 862 1 1 1 GLY CA C -10.887 -0.686 -0.007 1.00 . A A . 1 GLY CA 1 1
5 863 1 1 1 GLY H1 H -12.214 -0.760 1.596 1.00 . A A . 1 GLY H1 1 1
5 864 1 1 1 GLY H2 H -12.134 0.756 0.832 1.00 . A A . 1 GLY H2 1 1
5 865 1 1 1 GLY H3 H -10.875 0.247 1.854 1.00 . A A . 1 GLY H3 1 1
5 866 1 1 1 GLY HA2 H -11.379 -1.614 -0.264 1.00 . A A . 1 GLY HA2 1 1
5 867 1 1 1 GLY HA3 H -10.923 -0.013 -0.851 1.00 . A A . 1 GLY HA3 1 1
5 868 1 1 1 GLY N N -11.580 -0.064 1.157 1.00 . A A . 1 GLY N 1 1
5 869 1 1 1 GLY O O -8.671 -0.042 0.651 1.00 . A A . 1 GLY O 1 1
5 870 1 1 2 LEU C C -6.706 -2.028 -0.352 1.00 . A A . 2 LEU C 1 1
5 871 1 1 2 LEU CA C -7.685 -2.623 0.655 1.00 . A A . 2 LEU CA 1 1
5 872 1 1 2 LEU CB C -7.560 -4.149 0.657 1.00 . A A . 2 LEU CB 1 1
5 873 1 1 2 LEU CD1 C -6.383 -5.035 -1.380 1.00 . A A . 2 LEU CD1 1 1
5 874 1 1 2 LEU CD2 C -8.610 -5.960 -0.729 1.00 . A A . 2 LEU CD2 1 1
5 875 1 1 2 LEU CG C -7.747 -4.694 -0.770 1.00 . A A . 2 LEU CG 1 1
5 876 1 1 2 LEU H H -9.703 -2.928 0.083 1.00 . A A . 2 LEU H 1 1
5 877 1 1 2 LEU HA H -7.443 -2.252 1.639 1.00 . A A . 2 LEU HA 1 1
5 878 1 1 2 LEU HB2 H -6.583 -4.427 1.029 1.00 . A A . 2 LEU HB2 1 1
5 879 1 1 2 LEU HB3 H -8.318 -4.567 1.304 1.00 . A A . 2 LEU HB3 1 1
5 880 1 1 2 LEU HD11 H -6.483 -5.128 -2.452 1.00 . A A . 2 LEU HD11 1 1
5 881 1 1 2 LEU HD12 H -6.028 -5.968 -0.970 1.00 . A A . 2 LEU HD12 1 1
5 882 1 1 2 LEU HD13 H -5.679 -4.250 -1.151 1.00 . A A . 2 LEU HD13 1 1
5 883 1 1 2 LEU HD21 H -8.167 -6.674 -0.050 1.00 . A A . 2 LEU HD21 1 1
5 884 1 1 2 LEU HD22 H -8.666 -6.389 -1.718 1.00 . A A . 2 LEU HD22 1 1
5 885 1 1 2 LEU HD23 H -9.603 -5.707 -0.388 1.00 . A A . 2 LEU HD23 1 1
5 886 1 1 2 LEU HG H -8.235 -3.947 -1.381 1.00 . A A . 2 LEU HG 1 1
5 887 1 1 2 LEU N N -9.053 -2.236 0.327 1.00 . A A . 2 LEU N 1 1
5 888 1 1 2 LEU O O -5.504 -1.957 -0.094 1.00 . A A . 2 LEU O 1 1
5 889 1 1 3 SER C C -5.691 0.237 -2.011 1.00 . A A . 3 SER C 1 1
5 890 1 1 3 SER CA C -6.388 -1.013 -2.535 1.00 . A A . 3 SER CA 1 1
5 891 1 1 3 SER CB C -7.235 -0.655 -3.755 1.00 . A A . 3 SER CB 1 1
5 892 1 1 3 SER H H -8.193 -1.683 -1.647 1.00 . A A . 3 SER H 1 1
5 893 1 1 3 SER HA H -5.639 -1.734 -2.829 1.00 . A A . 3 SER HA 1 1
5 894 1 1 3 SER HB2 H -8.030 0.011 -3.460 1.00 . A A . 3 SER HB2 1 1
5 895 1 1 3 SER HB3 H -6.613 -0.166 -4.493 1.00 . A A . 3 SER HB3 1 1
5 896 1 1 3 SER HG H -8.227 -2.320 -3.590 1.00 . A A . 3 SER HG 1 1
5 897 1 1 3 SER N N -7.228 -1.602 -1.497 1.00 . A A . 3 SER N 1 1
5 898 1 1 3 SER O O -4.531 0.496 -2.334 1.00 . A A . 3 SER O 1 1
5 899 1 1 3 SER OG O -7.797 -1.840 -4.301 1.00 . A A . 3 SER OG 1 1
5 900 1 1 4 LEU C C -4.647 1.902 0.254 1.00 . A A . 4 LEU C 1 1
5 901 1 1 4 LEU CA C -5.845 2.231 -0.633 1.00 . A A . 4 LEU CA 1 1
5 902 1 1 4 LEU CB C -6.917 2.963 0.186 1.00 . A A . 4 LEU CB 1 1
5 903 1 1 4 LEU CD1 C -7.709 5.188 1.006 1.00 . A A . 4 LEU CD1 1 1
5 904 1 1 4 LEU CD2 C -5.272 4.806 0.604 1.00 . A A . 4 LEU CD2 1 1
5 905 1 1 4 LEU CG C -6.686 4.477 0.117 1.00 . A A . 4 LEU CG 1 1
5 906 1 1 4 LEU H H -7.325 0.754 -0.975 1.00 . A A . 4 LEU H 1 1
5 907 1 1 4 LEU HA H -5.519 2.872 -1.440 1.00 . A A . 4 LEU HA 1 1
5 908 1 1 4 LEU HB2 H -7.892 2.732 -0.215 1.00 . A A . 4 LEU HB2 1 1
5 909 1 1 4 LEU HB3 H -6.868 2.641 1.216 1.00 . A A . 4 LEU HB3 1 1
5 910 1 1 4 LEU HD11 H -7.437 6.228 1.106 1.00 . A A . 4 LEU HD11 1 1
5 911 1 1 4 LEU HD12 H -7.724 4.723 1.981 1.00 . A A . 4 LEU HD12 1 1
5 912 1 1 4 LEU HD13 H -8.689 5.113 0.557 1.00 . A A . 4 LEU HD13 1 1
5 913 1 1 4 LEU HD21 H -5.225 5.843 0.903 1.00 . A A . 4 LEU HD21 1 1
5 914 1 1 4 LEU HD22 H -4.567 4.632 -0.194 1.00 . A A . 4 LEU HD22 1 1
5 915 1 1 4 LEU HD23 H -5.024 4.179 1.448 1.00 . A A . 4 LEU HD23 1 1
5 916 1 1 4 LEU HG H -6.805 4.811 -0.903 1.00 . A A . 4 LEU HG 1 1
5 917 1 1 4 LEU N N -6.405 1.009 -1.199 1.00 . A A . 4 LEU N 1 1
5 918 1 1 4 LEU O O -3.611 2.565 0.190 1.00 . A A . 4 LEU O 1 1
5 919 1 1 5 LEU C C -2.559 -0.129 1.184 1.00 . A A . 5 LEU C 1 1
5 920 1 1 5 LEU CA C -3.721 0.464 1.977 1.00 . A A . 5 LEU CA 1 1
5 921 1 1 5 LEU CB C -4.239 -0.572 2.981 1.00 . A A . 5 LEU CB 1 1
5 922 1 1 5 LEU CD1 C -4.120 0.963 4.976 1.00 . A A . 5 LEU CD1 1 1
5 923 1 1 5 LEU CD2 C -6.107 1.028 3.452 1.00 . A A . 5 LEU CD2 1 1
5 924 1 1 5 LEU CG C -5.048 0.122 4.086 1.00 . A A . 5 LEU CG 1 1
5 925 1 1 5 LEU H H -5.643 0.380 1.089 1.00 . A A . 5 LEU H 1 1
5 926 1 1 5 LEU HA H -3.367 1.328 2.517 1.00 . A A . 5 LEU HA 1 1
5 927 1 1 5 LEU HB2 H -4.873 -1.281 2.467 1.00 . A A . 5 LEU HB2 1 1
5 928 1 1 5 LEU HB3 H -3.405 -1.096 3.423 1.00 . A A . 5 LEU HB3 1 1
5 929 1 1 5 LEU HD11 H -4.528 1.011 5.974 1.00 . A A . 5 LEU HD11 1 1
5 930 1 1 5 LEU HD12 H -4.038 1.962 4.575 1.00 . A A . 5 LEU HD12 1 1
5 931 1 1 5 LEU HD13 H -3.140 0.509 5.012 1.00 . A A . 5 LEU HD13 1 1
5 932 1 1 5 LEU HD21 H -6.591 0.503 2.641 1.00 . A A . 5 LEU HD21 1 1
5 933 1 1 5 LEU HD22 H -5.637 1.922 3.072 1.00 . A A . 5 LEU HD22 1 1
5 934 1 1 5 LEU HD23 H -6.843 1.297 4.196 1.00 . A A . 5 LEU HD23 1 1
5 935 1 1 5 LEU HG H -5.536 -0.627 4.694 1.00 . A A . 5 LEU HG 1 1
5 936 1 1 5 LEU N N -4.796 0.872 1.081 1.00 . A A . 5 LEU N 1 1
5 937 1 1 5 LEU O O -1.397 0.168 1.455 1.00 . A A . 5 LEU O 1 1
5 938 1 1 6 LEU C C -0.911 -0.540 -1.200 1.00 . A A . 6 LEU C 1 1
5 939 1 1 6 LEU CA C -1.852 -1.595 -0.619 1.00 . A A . 6 LEU CA 1 1
5 940 1 1 6 LEU CB C -2.511 -2.390 -1.756 1.00 . A A . 6 LEU CB 1 1
5 941 1 1 6 LEU CD1 C -2.396 -4.461 -3.151 1.00 . A A . 6 LEU CD1 1 1
5 942 1 1 6 LEU CD2 C -0.288 -3.339 -2.409 1.00 . A A . 6 LEU CD2 1 1
5 943 1 1 6 LEU CG C -1.729 -3.681 -2.016 1.00 . A A . 6 LEU CG 1 1
5 944 1 1 6 LEU H H -3.823 -1.168 0.033 1.00 . A A . 6 LEU H 1 1
5 945 1 1 6 LEU HA H -1.279 -2.272 -0.003 1.00 . A A . 6 LEU HA 1 1
5 946 1 1 6 LEU HB2 H -3.525 -2.637 -1.477 1.00 . A A . 6 LEU HB2 1 1
5 947 1 1 6 LEU HB3 H -2.524 -1.793 -2.656 1.00 . A A . 6 LEU HB3 1 1
5 948 1 1 6 LEU HD11 H -3.440 -4.612 -2.918 1.00 . A A . 6 LEU HD11 1 1
5 949 1 1 6 LEU HD12 H -1.909 -5.418 -3.265 1.00 . A A . 6 LEU HD12 1 1
5 950 1 1 6 LEU HD13 H -2.309 -3.902 -4.071 1.00 . A A . 6 LEU HD13 1 1
5 951 1 1 6 LEU HD21 H -0.284 -2.466 -3.046 1.00 . A A . 6 LEU HD21 1 1
5 952 1 1 6 LEU HD22 H 0.150 -4.172 -2.939 1.00 . A A . 6 LEU HD22 1 1
5 953 1 1 6 LEU HD23 H 0.290 -3.138 -1.519 1.00 . A A . 6 LEU HD23 1 1
5 954 1 1 6 LEU HG H -1.726 -4.286 -1.120 1.00 . A A . 6 LEU HG 1 1
5 955 1 1 6 LEU N N -2.880 -0.966 0.204 1.00 . A A . 6 LEU N 1 1
5 956 1 1 6 LEU O O 0.261 -0.815 -1.459 1.00 . A A . 6 LEU O 1 1
5 957 1 1 7 SER C C 0.640 1.962 -1.144 1.00 . A A . 7 SER C 1 1
5 958 1 1 7 SER CA C -0.631 1.750 -1.960 1.00 . A A . 7 SER CA 1 1
5 959 1 1 7 SER CB C -1.447 3.042 -1.982 1.00 . A A . 7 SER CB 1 1
5 960 1 1 7 SER H H -2.373 0.825 -1.182 1.00 . A A . 7 SER H 1 1
5 961 1 1 7 SER HA H -0.355 1.496 -2.972 1.00 . A A . 7 SER HA 1 1
5 962 1 1 7 SER HB2 H -0.954 3.771 -2.602 1.00 . A A . 7 SER HB2 1 1
5 963 1 1 7 SER HB3 H -2.432 2.838 -2.382 1.00 . A A . 7 SER HB3 1 1
5 964 1 1 7 SER HG H -1.774 4.484 -0.717 1.00 . A A . 7 SER HG 1 1
5 965 1 1 7 SER N N -1.432 0.664 -1.405 1.00 . A A . 7 SER N 1 1
5 966 1 1 7 SER O O 1.723 2.134 -1.703 1.00 . A A . 7 SER O 1 1
5 967 1 1 7 SER OG O -1.556 3.551 -0.659 1.00 . A A . 7 SER OG 1 1
5 968 1 1 8 LEU C C 2.562 0.915 1.018 1.00 . A A . 8 LEU C 1 1
5 969 1 1 8 LEU CA C 1.663 2.148 1.046 1.00 . A A . 8 LEU CA 1 1
5 970 1 1 8 LEU CB C 1.206 2.453 2.482 1.00 . A A . 8 LEU CB 1 1
5 971 1 1 8 LEU CD1 C 2.026 0.692 4.084 1.00 . A A . 8 LEU CD1 1 1
5 972 1 1 8 LEU CD2 C -0.364 1.414 4.142 1.00 . A A . 8 LEU CD2 1 1
5 973 1 1 8 LEU CG C 0.840 1.155 3.230 1.00 . A A . 8 LEU CG 1 1
5 974 1 1 8 LEU H H -0.378 1.814 0.574 1.00 . A A . 8 LEU H 1 1
5 975 1 1 8 LEU HA H 2.228 2.992 0.678 1.00 . A A . 8 LEU HA 1 1
5 976 1 1 8 LEU HB2 H 2.004 2.957 3.008 1.00 . A A . 8 LEU HB2 1 1
5 977 1 1 8 LEU HB3 H 0.343 3.101 2.447 1.00 . A A . 8 LEU HB3 1 1
5 978 1 1 8 LEU HD11 H 1.912 -0.357 4.318 1.00 . A A . 8 LEU HD11 1 1
5 979 1 1 8 LEU HD12 H 2.057 1.263 5.000 1.00 . A A . 8 LEU HD12 1 1
5 980 1 1 8 LEU HD13 H 2.946 0.840 3.539 1.00 . A A . 8 LEU HD13 1 1
5 981 1 1 8 LEU HD21 H -0.533 0.551 4.767 1.00 . A A . 8 LEU HD21 1 1
5 982 1 1 8 LEU HD22 H -1.240 1.598 3.538 1.00 . A A . 8 LEU HD22 1 1
5 983 1 1 8 LEU HD23 H -0.167 2.276 4.762 1.00 . A A . 8 LEU HD23 1 1
5 984 1 1 8 LEU HG H 0.590 0.384 2.519 1.00 . A A . 8 LEU HG 1 1
5 985 1 1 8 LEU N N 0.507 1.953 0.178 1.00 . A A . 8 LEU N 1 1
5 986 1 1 8 LEU O O 3.771 1.009 1.228 1.00 . A A . 8 LEU O 1 1
5 987 1 1 9 GLY C C 3.767 -1.461 -0.382 1.00 . A A . 9 GLY C 1 1
5 988 1 1 9 GLY CA C 2.703 -1.492 0.711 1.00 . A A . 9 GLY CA 1 1
5 989 1 1 9 GLY H H 0.991 -0.251 0.604 1.00 . A A . 9 GLY H 1 1
5 990 1 1 9 GLY HA2 H 3.180 -1.656 1.666 1.00 . A A . 9 GLY HA2 1 1
5 991 1 1 9 GLY HA3 H 2.018 -2.302 0.512 1.00 . A A . 9 GLY HA3 1 1
5 992 1 1 9 GLY N N 1.958 -0.241 0.760 1.00 . A A . 9 GLY N 1 1
5 993 1 1 9 GLY O O 4.927 -1.787 -0.135 1.00 . A A . 9 GLY O 1 1
5 994 1 1 10 LEU C C 5.246 0.178 -2.557 1.00 . A A . 10 LEU C 1 1
5 995 1 1 10 LEU CA C 4.315 -1.018 -2.702 1.00 . A A . 10 LEU CA 1 1
5 996 1 1 10 LEU CB C 3.559 -0.946 -4.037 1.00 . A A . 10 LEU CB 1 1
5 997 1 1 10 LEU CD1 C 3.898 1.264 -5.188 1.00 . A A . 10 LEU CD1 1 1
5 998 1 1 10 LEU CD2 C 1.589 0.366 -4.871 1.00 . A A . 10 LEU CD2 1 1
5 999 1 1 10 LEU CG C 2.986 0.467 -4.248 1.00 . A A . 10 LEU CG 1 1
5 1000 1 1 10 LEU H H 2.433 -0.827 -1.738 1.00 . A A . 10 LEU H 1 1
5 1001 1 1 10 LEU HA H 4.910 -1.918 -2.690 1.00 . A A . 10 LEU HA 1 1
5 1002 1 1 10 LEU HB2 H 4.237 -1.188 -4.843 1.00 . A A . 10 LEU HB2 1 1
5 1003 1 1 10 LEU HB3 H 2.751 -1.663 -4.024 1.00 . A A . 10 LEU HB3 1 1
5 1004 1 1 10 LEU HD11 H 3.709 2.320 -5.063 1.00 . A A . 10 LEU HD11 1 1
5 1005 1 1 10 LEU HD12 H 3.700 0.983 -6.211 1.00 . A A . 10 LEU HD12 1 1
5 1006 1 1 10 LEU HD13 H 4.932 1.055 -4.953 1.00 . A A . 10 LEU HD13 1 1
5 1007 1 1 10 LEU HD21 H 1.648 -0.178 -5.802 1.00 . A A . 10 LEU HD21 1 1
5 1008 1 1 10 LEU HD22 H 1.205 1.358 -5.057 1.00 . A A . 10 LEU HD22 1 1
5 1009 1 1 10 LEU HD23 H 0.929 -0.154 -4.192 1.00 . A A . 10 LEU HD23 1 1
5 1010 1 1 10 LEU HG H 2.919 0.976 -3.299 1.00 . A A . 10 LEU HG 1 1
5 1011 1 1 10 LEU N N 3.371 -1.075 -1.590 1.00 . A A . 10 LEU N 1 1
5 1012 1 1 10 LEU O O 6.316 0.223 -3.164 1.00 . A A . 10 LEU O 1 1
5 1013 1 1 11 LYS C C 6.886 1.995 -0.716 1.00 . A A . 11 LYS C 1 1
5 1014 1 1 11 LYS CA C 5.640 2.336 -1.529 1.00 . A A . 11 LYS CA 1 1
5 1015 1 1 11 LYS CB C 4.815 3.391 -0.783 1.00 . A A . 11 LYS CB 1 1
5 1016 1 1 11 LYS CD C 6.178 4.671 0.910 1.00 . A A . 11 LYS CD 1 1
5 1017 1 1 11 LYS CE C 5.001 4.778 1.890 1.00 . A A . 11 LYS CE 1 1
5 1018 1 1 11 LYS CG C 5.665 4.649 -0.538 1.00 . A A . 11 LYS CG 1 1
5 1019 1 1 11 LYS H H 3.972 1.054 -1.291 1.00 . A A . 11 LYS H 1 1
5 1020 1 1 11 LYS HA H 5.942 2.739 -2.484 1.00 . A A . 11 LYS HA 1 1
5 1021 1 1 11 LYS HB2 H 3.950 3.650 -1.379 1.00 . A A . 11 LYS HB2 1 1
5 1022 1 1 11 LYS HB3 H 4.489 2.984 0.160 1.00 . A A . 11 LYS HB3 1 1
5 1023 1 1 11 LYS HD2 H 6.728 3.764 1.109 1.00 . A A . 11 LYS HD2 1 1
5 1024 1 1 11 LYS HD3 H 6.833 5.521 1.044 1.00 . A A . 11 LYS HD3 1 1
5 1025 1 1 11 LYS HE2 H 5.253 5.468 2.682 1.00 . A A . 11 LYS HE2 1 1
5 1026 1 1 11 LYS HE3 H 4.123 5.133 1.370 1.00 . A A . 11 LYS HE3 1 1
5 1027 1 1 11 LYS HG2 H 6.508 4.655 -1.216 1.00 . A A . 11 LYS HG2 1 1
5 1028 1 1 11 LYS HG3 H 5.063 5.530 -0.713 1.00 . A A . 11 LYS HG3 1 1
5 1029 1 1 11 LYS HZ1 H 3.812 3.083 2.119 1.00 . A A . 11 LYS HZ1 1 1
5 1030 1 1 11 LYS HZ2 H 4.688 3.509 3.512 1.00 . A A . 11 LYS HZ2 1 1
5 1031 1 1 11 LYS HZ3 H 5.478 2.774 2.200 1.00 . A A . 11 LYS HZ3 1 1
5 1032 1 1 11 LYS N N 4.833 1.145 -1.749 1.00 . A A . 11 LYS N 1 1
5 1033 1 1 11 LYS NZ N 4.724 3.435 2.475 1.00 . A A . 11 LYS NZ 1 1
5 1034 1 1 11 LYS O O 7.914 2.661 -0.833 1.00 . A A . 11 LYS O 1 1
5 1035 1 1 12 LEU C C 8.898 -0.310 0.166 1.00 . A A . 12 LEU C 1 1
5 1036 1 1 12 LEU CA C 7.910 0.556 0.954 1.00 . A A . 12 LEU CA 1 1
5 1037 1 1 12 LEU CB C 7.397 -0.203 2.186 1.00 . A A . 12 LEU CB 1 1
5 1038 1 1 12 LEU CD1 C 6.065 0.199 4.272 1.00 . A A . 12 LEU CD1 1 1
5 1039 1 1 12 LEU CD2 C 8.412 1.039 4.115 1.00 . A A . 12 LEU CD2 1 1
5 1040 1 1 12 LEU CG C 7.120 0.785 3.331 1.00 . A A . 12 LEU CG 1 1
5 1041 1 1 12 LEU H H 5.935 0.469 0.173 1.00 . A A . 12 LEU H 1 1
5 1042 1 1 12 LEU HA H 8.426 1.444 1.285 1.00 . A A . 12 LEU HA 1 1
5 1043 1 1 12 LEU HB2 H 6.483 -0.718 1.931 1.00 . A A . 12 LEU HB2 1 1
5 1044 1 1 12 LEU HB3 H 8.137 -0.920 2.505 1.00 . A A . 12 LEU HB3 1 1
5 1045 1 1 12 LEU HD11 H 5.154 0.017 3.722 1.00 . A A . 12 LEU HD11 1 1
5 1046 1 1 12 LEU HD12 H 5.868 0.897 5.072 1.00 . A A . 12 LEU HD12 1 1
5 1047 1 1 12 LEU HD13 H 6.427 -0.730 4.686 1.00 . A A . 12 LEU HD13 1 1
5 1048 1 1 12 LEU HD21 H 8.295 1.925 4.722 1.00 . A A . 12 LEU HD21 1 1
5 1049 1 1 12 LEU HD22 H 9.232 1.180 3.427 1.00 . A A . 12 LEU HD22 1 1
5 1050 1 1 12 LEU HD23 H 8.620 0.192 4.752 1.00 . A A . 12 LEU HD23 1 1
5 1051 1 1 12 LEU HG H 6.756 1.717 2.922 1.00 . A A . 12 LEU HG 1 1
5 1052 1 1 12 LEU N N 6.783 0.962 0.116 1.00 . A A . 12 LEU N 1 1
5 1053 1 1 12 LEU O O 10.078 0.024 0.072 1.00 . A A . 12 LEU O 1 1
5 1054 1 1 13 LEU C C 8.848 -2.330 -2.653 1.00 . A A . 13 LEU C 1 1
5 1055 1 1 13 LEU CA C 9.282 -2.302 -1.189 1.00 . A A . 13 LEU CA 1 1
5 1056 1 1 13 LEU CB C 9.275 -3.733 -0.623 1.00 . A A . 13 LEU CB 1 1
5 1057 1 1 13 LEU CD1 C 7.480 -3.414 1.119 1.00 . A A . 13 LEU CD1 1 1
5 1058 1 1 13 LEU CD2 C 6.846 -3.837 -1.274 1.00 . A A . 13 LEU CD2 1 1
5 1059 1 1 13 LEU CG C 7.866 -4.149 -0.171 1.00 . A A . 13 LEU CG 1 1
5 1060 1 1 13 LEU H H 7.464 -1.632 -0.308 1.00 . A A . 13 LEU H 1 1
5 1061 1 1 13 LEU HA H 10.293 -1.924 -1.144 1.00 . A A . 13 LEU HA 1 1
5 1062 1 1 13 LEU HB2 H 9.616 -4.418 -1.387 1.00 . A A . 13 LEU HB2 1 1
5 1063 1 1 13 LEU HB3 H 9.949 -3.785 0.219 1.00 . A A . 13 LEU HB3 1 1
5 1064 1 1 13 LEU HD11 H 8.359 -2.974 1.566 1.00 . A A . 13 LEU HD11 1 1
5 1065 1 1 13 LEU HD12 H 7.041 -4.115 1.812 1.00 . A A . 13 LEU HD12 1 1
5 1066 1 1 13 LEU HD13 H 6.766 -2.640 0.895 1.00 . A A . 13 LEU HD13 1 1
5 1067 1 1 13 LEU HD21 H 5.903 -4.307 -1.032 1.00 . A A . 13 LEU HD21 1 1
5 1068 1 1 13 LEU HD22 H 7.204 -4.221 -2.217 1.00 . A A . 13 LEU HD22 1 1
5 1069 1 1 13 LEU HD23 H 6.705 -2.769 -1.347 1.00 . A A . 13 LEU HD23 1 1
5 1070 1 1 13 LEU HG H 7.862 -5.213 0.021 1.00 . A A . 13 LEU HG 1 1
5 1071 1 1 13 LEU N N 8.413 -1.416 -0.407 1.00 . A A . 13 LEU N 1 1
5 1072 1 1 13 LEU O O 9.360 -3.124 -3.441 1.00 . A A . 13 LEU O 1 1
5 1073 1 1 14 NH2 HN1 H 7.644 -1.513 -4.003 1.00 . A A . 14 NH2 HN1 1 1
5 1074 1 1 14 NH2 HN2 H 7.523 -0.869 -2.438 1.00 . A A . 14 NH2 HN2 1 1
5 1075 1 1 14 NH2 N N 7.929 -1.502 -3.066 1.00 . A A . 14 NH2 N 1 1
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