NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
566714 |
2md2   |
19469 | cing | 4-filtered-FRED | STAR | entry | full | 111 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2md2
# This FRED archive file contains, for PDB entry <2md2>:
#
# - 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_2md2
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2md2
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1214.46
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 $Lactotransferrin A . 1 1
stop_
save_
save_Lactotransferrin
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name Lactotransferrin
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code WKLLSKAQEK
_Entity.Number_of_monomers 10
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 TRP . 1 1
2 LYS . 1 1
3 LEU . 1 1
4 LEU . 1 1
5 SER . 1 1
6 LYS . 1 1
7 ALA . 1 1
8 GLN . 1 1
9 GLU . 1 1
10 LYS . 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
TRP 1 1 1 1
LYS 2 2 1 1
LEU 3 3 1 1
LEU 4 4 1 1
SER 5 5 1 1
LYS 6 6 1 1
ALA 7 7 1 1
GLN 8 8 1 1
GLU 9 9 1 1
LYS 10 10 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 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
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 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 TRP H1 . 1 TRP H 1 1
1 1 2 1 1 1 TRP QB . 1 TRP QB 1 1
2 1 1 1 1 1 TRP H1 . 1 TRP H 1 1
2 1 2 1 1 2 LYS H . 2 LYS H 1 1
3 1 1 1 1 1 TRP HA . 1 TRP HA 1 1
3 1 2 1 1 1 TRP HD1 . 1 TRP HD1 1 1
4 1 1 1 1 1 TRP HA . 1 TRP HA 1 1
4 1 2 1 1 1 TRP HE1 . 1 TRP HE1 1 1
5 1 1 1 1 1 TRP HA . 1 TRP HA 1 1
5 1 2 1 1 2 LYS H . 2 LYS H 1 1
6 1 1 1 1 1 TRP HA . 1 TRP HA 1 1
6 1 2 1 1 3 LEU H . 3 LEU H 1 1
7 1 1 1 1 1 TRP HA . 1 TRP HA 1 1
7 1 2 1 1 4 LEU H . 4 LEU H 1 1
8 1 1 1 1 1 TRP HA . 1 TRP HA 1 1
8 1 2 1 1 5 SER H . 5 SER H 1 1
9 1 1 1 1 1 TRP QB . 1 TRP QB 1 1
9 1 2 1 1 1 TRP HE1 . 1 TRP HE1 1 1
10 1 1 1 1 1 TRP QB . 1 TRP QB 1 1
10 1 2 1 1 2 LYS H . 2 LYS H 1 1
11 1 1 1 1 1 TRP QB . 1 TRP QB 1 1
11 1 2 1 1 3 LEU H . 3 LEU H 1 1
12 1 1 1 1 1 TRP QB . 1 TRP QB 1 1
12 1 2 1 1 4 LEU H . 4 LEU H 1 1
13 1 1 1 1 1 TRP QB . 1 TRP QB 1 1
13 1 2 1 1 5 SER H . 5 SER H 1 1
14 1 1 1 1 1 TRP HD1 . 1 TRP HD1 1 1
14 1 2 1 1 2 LYS H . 2 LYS H 1 1
15 1 1 1 1 1 TRP HD1 . 1 TRP HD1 1 1
15 1 2 1 1 2 LYS QB . 2 LYS QB 1 1
16 1 1 1 1 1 TRP HD1 . 1 TRP HD1 1 1
16 1 2 1 1 3 LEU QB . 3 LEU QB 1 1
17 1 1 1 1 1 TRP HD1 . 1 TRP HD1 1 1
17 1 2 1 1 3 LEU QD . 3 LEU QQD 1 1
18 1 1 1 1 1 TRP HE1 . 1 TRP HE1 1 1
18 1 2 1 1 3 LEU QB . 3 LEU QB 1 1
19 1 1 1 1 1 TRP HE3 . 1 TRP HE3 1 1
19 1 2 1 1 3 LEU QB . 3 LEU QB 1 1
20 1 1 1 1 1 TRP HE3 . 1 TRP HE3 1 1
20 1 2 1 1 3 LEU QD . 3 LEU QQD 1 1
21 1 1 1 1 1 TRP HH2 . 1 TRP HH2 1 1
21 1 2 1 1 3 LEU QB . 3 LEU QB 1 1
22 1 1 1 1 1 TRP HH2 . 1 TRP HH2 1 1
22 1 2 1 1 3 LEU QD . 3 LEU QQD 1 1
23 1 1 1 1 1 TRP HZ2 . 1 TRP HZ2 1 1
23 1 2 1 1 3 LEU QB . 3 LEU QB 1 1
24 1 1 1 1 1 TRP HZ2 . 1 TRP HZ2 1 1
24 1 2 1 1 3 LEU QD . 3 LEU QQD 1 1
25 1 1 1 1 1 TRP HZ3 . 1 TRP HZ3 1 1
25 1 2 1 1 3 LEU QB . 3 LEU QB 1 1
26 1 1 1 1 1 TRP HZ3 . 1 TRP HZ3 1 1
26 1 2 1 1 3 LEU QD . 3 LEU QQD 1 1
27 1 1 1 1 2 LYS H . 2 LYS H 1 1
27 1 2 1 1 2 LYS QB . 2 LYS QB 1 1
28 1 1 1 1 2 LYS H . 2 LYS H 1 1
28 1 2 1 1 2 LYS QD . 2 LYS QD 1 1
29 1 1 1 1 2 LYS H . 2 LYS H 1 1
29 1 2 1 1 2 LYS QG . 2 LYS QG 1 1
30 1 1 1 1 2 LYS H . 2 LYS H 1 1
30 1 2 1 1 3 LEU H . 3 LEU H 1 1
31 1 1 1 1 2 LYS HA . 2 LYS HA 1 1
31 1 2 1 1 3 LEU H . 3 LEU H 1 1
32 1 1 1 1 2 LYS HA . 2 LYS HA 1 1
32 1 2 1 1 4 LEU H . 4 LEU H 1 1
33 1 1 1 1 2 LYS HA . 2 LYS HA 1 1
33 1 2 1 1 5 SER H . 5 SER H 1 1
34 1 1 1 1 2 LYS QB . 2 LYS QB 1 1
34 1 2 1 1 3 LEU H . 3 LEU H 1 1
35 1 1 1 1 2 LYS QB . 2 LYS QB 1 1
35 1 2 1 1 4 LEU H . 4 LEU H 1 1
36 1 1 1 1 2 LYS QB . 2 LYS QB 1 1
36 1 2 1 1 5 SER H . 5 SER H 1 1
37 1 1 1 1 2 LYS QB . 2 LYS QB 1 1
37 1 2 1 1 6 LYS H . 6 LYS H 1 1
38 1 1 1 1 2 LYS QD . 2 LYS QD 1 1
38 1 2 1 1 3 LEU H . 3 LEU H 1 1
39 1 1 1 1 2 LYS QD . 2 LYS QD 1 1
39 1 2 1 1 5 SER H . 5 SER H 1 1
40 1 1 1 1 2 LYS QG . 2 LYS QG 1 1
40 1 2 1 1 3 LEU H . 3 LEU H 1 1
41 1 1 1 1 3 LEU H . 3 LEU H 1 1
41 1 2 1 1 3 LEU QB . 3 LEU QB 1 1
42 1 1 1 1 3 LEU H . 3 LEU H 1 1
42 1 2 1 1 3 LEU QD . 3 LEU QQD 1 1
43 1 1 1 1 3 LEU H . 3 LEU H 1 1
43 1 2 1 1 4 LEU H . 4 LEU H 1 1
44 1 1 1 1 3 LEU HA . 3 LEU HA 1 1
44 1 2 1 1 4 LEU H . 4 LEU H 1 1
45 1 1 1 1 3 LEU HA . 3 LEU HA 1 1
45 1 2 1 1 5 SER H . 5 SER H 1 1
46 1 1 1 1 3 LEU HA . 3 LEU HA 1 1
46 1 2 1 1 6 LYS H . 6 LYS H 1 1
47 1 1 1 1 3 LEU QB . 3 LEU QB 1 1
47 1 2 1 1 5 SER H . 5 SER H 1 1
48 1 1 1 1 3 LEU QD . 3 LEU QQD 1 1
48 1 2 1 1 4 LEU H . 4 LEU H 1 1
49 1 1 1 1 3 LEU QD . 3 LEU QQD 1 1
49 1 2 1 1 5 SER H . 5 SER H 1 1
50 1 1 1 1 3 LEU QD . 3 LEU QQD 1 1
50 1 2 1 1 6 LYS H . 6 LYS H 1 1
51 1 1 1 1 4 LEU H . 4 LEU H 1 1
51 1 2 1 1 4 LEU QB . 4 LEU QB 1 1
52 1 1 1 1 4 LEU H . 4 LEU H 1 1
52 1 2 1 1 4 LEU QD . 4 LEU QQD 1 1
53 1 1 1 1 4 LEU H . 4 LEU H 1 1
53 1 2 1 1 4 LEU HG . 4 LEU HG 1 1
54 1 1 1 1 4 LEU H . 4 LEU H 1 1
54 1 2 1 1 5 SER H . 5 SER H 1 1
55 1 1 1 1 4 LEU HA . 4 LEU HA 1 1
55 1 2 1 1 5 SER H . 5 SER H 1 1
56 1 1 1 1 4 LEU HA . 4 LEU HA 1 1
56 1 2 1 1 6 LYS H . 6 LYS H 1 1
57 1 1 1 1 4 LEU QD . 4 LEU QQD 1 1
57 1 2 1 1 5 SER H . 5 SER H 1 1
58 1 1 1 1 4 LEU QD . 4 LEU QQD 1 1
58 1 2 1 1 6 LYS H . 6 LYS H 1 1
59 1 1 1 1 4 LEU QD . 4 LEU QQD 1 1
59 1 2 1 1 7 ALA H . 7 ALA H 1 1
60 1 1 1 1 5 SER H . 5 SER H 1 1
60 1 2 1 1 5 SER QB . 5 SER QB 1 1
61 1 1 1 1 5 SER H . 5 SER H 1 1
61 1 2 1 1 6 LYS H . 6 LYS H 1 1
62 1 1 1 1 5 SER HA . 5 SER HA 1 1
62 1 2 1 1 6 LYS H . 6 LYS H 1 1
63 1 1 1 1 5 SER HA . 5 SER HA 1 1
63 1 2 1 1 7 ALA H . 7 ALA H 1 1
64 1 1 1 1 5 SER HA . 5 SER HA 1 1
64 1 2 1 1 8 GLN H . 8 GLN H 1 1
65 1 1 1 1 5 SER QB . 5 SER QB 1 1
65 1 2 1 1 6 LYS H . 6 LYS H 1 1
66 1 1 1 1 5 SER QB . 5 SER QB 1 1
66 1 2 1 1 7 ALA H . 7 ALA H 1 1
67 1 1 1 1 6 LYS H . 6 LYS H 1 1
67 1 2 1 1 6 LYS QB . 6 LYS QB 1 1
68 1 1 1 1 6 LYS H . 6 LYS H 1 1
68 1 2 1 1 6 LYS QD . 6 LYS QD 1 1
69 1 1 1 1 6 LYS H . 6 LYS H 1 1
69 1 2 1 1 6 LYS QE . 6 LYS QE 1 1
70 1 1 1 1 6 LYS H . 6 LYS H 1 1
70 1 2 1 1 6 LYS QG . 6 LYS QG 1 1
71 1 1 1 1 6 LYS H . 6 LYS H 1 1
71 1 2 1 1 7 ALA H . 7 ALA H 1 1
72 1 1 1 1 6 LYS HA . 6 LYS HA 1 1
72 1 2 1 1 7 ALA H . 7 ALA H 1 1
73 1 1 1 1 6 LYS HA . 6 LYS HA 1 1
73 1 2 1 1 9 GLU H . 9 GLU H 1 1
74 1 1 1 1 6 LYS QB . 6 LYS QB 1 1
74 1 2 1 1 7 ALA H . 7 ALA H 1 1
75 1 1 1 1 6 LYS QB . 6 LYS QB 1 1
75 1 2 1 1 8 GLN H . 8 GLN H 1 1
76 1 1 1 1 6 LYS QB . 6 LYS QB 1 1
76 1 2 1 1 9 GLU H . 9 GLU H 1 1
77 1 1 1 1 6 LYS QG . 6 LYS QG 1 1
77 1 2 1 1 7 ALA H . 7 ALA H 1 1
78 1 1 1 1 6 LYS QG . 6 LYS QG 1 1
78 1 2 1 1 9 GLU H . 9 GLU H 1 1
79 1 1 1 1 7 ALA H . 7 ALA H 1 1
79 1 2 1 1 7 ALA MB . 7 ALA QB 1 1
80 1 1 1 1 7 ALA H . 7 ALA H 1 1
80 1 2 1 1 8 GLN H . 8 GLN H 1 1
81 1 1 1 1 7 ALA HA . 7 ALA HA 1 1
81 1 2 1 1 8 GLN H . 8 GLN H 1 1
82 1 1 1 1 7 ALA HA . 7 ALA HA 1 1
82 1 2 1 1 9 GLU H . 9 GLU H 1 1
83 1 1 1 1 7 ALA MB . 7 ALA QB 1 1
83 1 2 1 1 8 GLN H . 8 GLN H 1 1
84 1 1 1 1 8 GLN H . 8 GLN H 1 1
84 1 2 1 1 8 GLN QB . 8 GLN QB 1 1
85 1 1 1 1 8 GLN H . 8 GLN H 1 1
85 1 2 1 1 8 GLN QG . 8 GLN QG 1 1
86 1 1 1 1 8 GLN H . 8 GLN H 1 1
86 1 2 1 1 9 GLU H . 9 GLU H 1 1
87 1 1 1 1 8 GLN HA . 8 GLN HA 1 1
87 1 2 1 1 9 GLU H . 9 GLU H 1 1
88 1 1 1 1 8 GLN QB . 8 GLN QB 1 1
88 1 2 1 1 9 GLU H . 9 GLU H 1 1
89 1 1 1 1 8 GLN QG . 8 GLN QG 1 1
89 1 2 1 1 9 GLU H . 9 GLU H 1 1
90 1 1 1 1 9 GLU H . 9 GLU H 1 1
90 1 2 1 1 9 GLU QB . 9 GLU QB 1 1
91 1 1 1 1 9 GLU H . 9 GLU H 1 1
91 1 2 1 1 9 GLU QG . 9 GLU QG 1 1
92 1 1 1 1 9 GLU H . 9 GLU H 1 1
92 1 2 1 1 10 LYS H . 10 LYS H 1 1
93 1 1 1 1 9 GLU HA . 9 GLU HA 1 1
93 1 2 1 1 10 LYS H . 10 LYS H 1 1
94 1 1 1 1 10 LYS H . 10 LYS H 1 1
94 1 2 1 1 10 LYS QD . 10 LYS QD 1 1
95 1 1 1 1 10 LYS H . 10 LYS H 1 1
95 1 2 1 1 10 LYS QG . 10 LYS QG 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 3.5 1 1
2 1 . . . . . . . 3.8 1 1
3 1 . . . . . . . 4.2 1 1
4 1 . . . . . . . 4.9 1 1
5 1 . . . . . . . 3.3 1 1
6 1 . . . . . . . 4.4 1 1
7 1 . . . . . . . 4.0 1 1
8 1 . . . . . . . 4.4 1 1
9 1 . . . . . . . 4.4 1 1
10 1 . . . . . . . 3.3 1 1
11 1 . . . . . . . 4.1 1 1
12 1 . . . . . . . 4.6 1 1
13 1 . . . . . . . 4.9 1 1
14 1 . . . . . . . 3.2 1 1
15 1 . . . . . . . 3.8 1 1
16 1 . . . . . . . 4.5 1 1
17 1 . . . . . . . 4.0 1 1
18 1 . . . . . . . 4.0 1 1
19 1 . . . . . . . 3.8 1 1
20 1 . . . . . . . 3.8 1 1
21 1 . . . . . . . 3.8 1 1
22 1 . . . . . . . 3.8 1 1
23 1 . . . . . . . 4.0 1 1
24 1 . . . . . . . 3.8 1 1
25 1 . . . . . . . 4.0 1 1
26 1 . . . . . . . 4.0 1 1
27 1 . . . . . . . 3.8 1 1
28 1 . . . . . . . 3.8 1 1
29 1 . . . . . . . 3.8 1 1
30 1 . . . . . . . 2.8 1 1
31 1 . . . . . . . 4.4 1 1
32 1 . . . . . . . 3.6 1 1
33 1 . . . . . . . 4.2 1 1
34 1 . . . . . . . 4.1 1 1
35 1 . . . . . . . 4.2 1 1
36 1 . . . . . . . 4.7 1 1
37 1 . . . . . . . 4.4 1 1
38 1 . . . . . . . 4.4 1 1
39 1 . . . . . . . 4.6 1 1
40 1 . . . . . . . 4.6 1 1
41 1 . . . . . . . 3.8 1 1
42 1 . . . . . . . 3.8 1 1
43 1 . . . . . . . 3.8 1 1
44 1 . . . . . . . 3.3 1 1
45 1 . . . . . . . 4.4 1 1
46 1 . . . . . . . 3.6 1 1
47 1 . . . . . . . 4.7 1 1
48 1 . . . . . . . 4.2 1 1
49 1 . . . . . . . 4.5 1 1
50 1 . . . . . . . 4.4 1 1
51 1 . . . . . . . 3.8 1 1
52 1 . . . . . . . 3.8 1 1
53 1 . . . . . . . 4.4 1 1
54 1 . . . . . . . 2.8 1 1
55 1 . . . . . . . 3.3 1 1
56 1 . . . . . . . 4.2 1 1
57 1 . . . . . . . 4.0 1 1
58 1 . . . . . . . 4.4 1 1
59 1 . . . . . . . 4.4 1 1
60 1 . . . . . . . 3.3 1 1
61 1 . . . . . . . 2.8 1 1
62 1 . . . . . . . 3.3 1 1
63 1 . . . . . . . 4.4 1 1
64 1 . . . . . . . 3.4 1 1
65 1 . . . . . . . 3.8 1 1
66 1 . . . . . . . 4.4 1 1
67 1 . . . . . . . 3.8 1 1
68 1 . . . . . . . 3.8 1 1
69 1 . . . . . . . 4.8 1 1
70 1 . . . . . . . 4.0 1 1
71 1 . . . . . . . 2.8 1 1
72 1 . . . . . . . 3.3 1 1
73 1 . . . . . . . 3.4 1 1
74 1 . . . . . . . 4.6 1 1
75 1 . . . . . . . 4.6 1 1
76 1 . . . . . . . 4.4 1 1
77 1 . . . . . . . 4.8 1 1
78 1 . . . . . . . 4.2 1 1
79 1 . . . . . . . 3.3 1 1
80 1 . . . . . . . 2.8 1 1
81 1 . . . . . . . 3.3 1 1
82 1 . . . . . . . 4.4 1 1
83 1 . . . . . . . 4.4 1 1
84 1 . . . . . . . 3.3 1 1
85 1 . . . . . . . 3.8 1 1
86 1 . . . . . . . 2.8 1 1
87 1 . . . . . . . 3.3 1 1
88 1 . . . . . . . 3.8 1 1
89 1 . . . . . . . 4.0 1 1
90 1 . . . . . . . 3.8 1 1
91 1 . . . . . . . 4.1 1 1
92 1 . . . . . . . 2.8 1 1
93 1 . . . . . . . 3.8 1 1
94 1 . . . . . . . 4.0 1 1
95 1 . . . . . . . 4.0 1 1
stop_
save_
save_DYANA/DIANA_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 PHI 1 1 1 TRP C 1 1 2 LYS N 1 1 2 LYS CA 1 1 2 LYS C -120.0 -30.0 . 2 LYS . . 2 LYS . . 2 LYS . . 2 LYS . 1 1
2 PSI 1 1 2 LYS N 1 1 2 LYS CA 1 1 2 LYS C 1 1 3 LEU N -120.0 120.0 . 2 LYS . . 2 LYS . . 2 LYS . . 2 LYS . 1 1
3 PHI 1 1 2 LYS C 1 1 3 LEU N 1 1 3 LEU CA 1 1 3 LEU C -120.0 -30.0 . 3 LEU . . 3 LEU . . 3 LEU . . 3 LEU . 1 1
4 PSI 1 1 3 LEU N 1 1 3 LEU CA 1 1 3 LEU C 1 1 4 LEU N -120.0 120.0 . 3 LEU . . 3 LEU . . 3 LEU . . 3 LEU . 1 1
5 PHI 1 1 3 LEU C 1 1 4 LEU N 1 1 4 LEU CA 1 1 4 LEU C -120.0 -30.0 . 4 LEU . . 4 LEU . . 4 LEU . . 4 LEU . 1 1
6 PSI 1 1 4 LEU N 1 1 4 LEU CA 1 1 4 LEU C 1 1 5 SER N -120.0 120.0 . 4 LEU . . 4 LEU . . 4 LEU . . 4 LEU . 1 1
7 PHI 1 1 4 LEU C 1 1 5 SER N 1 1 5 SER CA 1 1 5 SER C -120.0 -30.0 . 5 SER . . 5 SER . . 5 SER . . 5 SER . 1 1
8 PSI 1 1 5 SER N 1 1 5 SER CA 1 1 5 SER C 1 1 6 LYS N -120.0 120.0 . 5 SER . . 5 SER . . 5 SER . . 5 SER . 1 1
9 PHI 1 1 5 SER C 1 1 6 LYS N 1 1 6 LYS CA 1 1 6 LYS C -120.0 -30.0 . 6 LYS . . 6 LYS . . 6 LYS . . 6 LYS . 1 1
10 PSI 1 1 6 LYS N 1 1 6 LYS CA 1 1 6 LYS C 1 1 7 ALA N -120.0 120.0 . 6 LYS . . 6 LYS . . 6 LYS . . 6 LYS . 1 1
11 PHI 1 1 6 LYS C 1 1 7 ALA N 1 1 7 ALA CA 1 1 7 ALA C -120.0 -30.0 . 7 ALA . . 7 ALA . . 7 ALA . . 7 ALA . 1 1
12 PSI 1 1 7 ALA N 1 1 7 ALA CA 1 1 7 ALA C 1 1 8 GLN N -120.0 120.0 . 7 ALA . . 7 ALA . . 7 ALA . . 7 ALA . 1 1
13 PHI 1 1 7 ALA C 1 1 8 GLN N 1 1 8 GLN CA 1 1 8 GLN C -120.0 -30.0 . 8 GLN . . 8 GLN . . 8 GLN . . 8 GLN . 1 1
14 PSI 1 1 8 GLN N 1 1 8 GLN CA 1 1 8 GLN C 1 1 9 GLU N -120.0 120.0 . 8 GLN . . 8 GLN . . 8 GLN . . 8 GLN . 1 1
15 PHI 1 1 8 GLN C 1 1 9 GLU N 1 1 9 GLU CA 1 1 9 GLU C -120.0 -30.0 . 9 GLU . . 9 GLU . . 9 GLU . . 9 GLU . 1 1
16 PSI 1 1 9 GLU N 1 1 9 GLU CA 1 1 9 GLU C 1 1 10 LYS N -120.0 120.0 . 9 GLU . . 9 GLU . . 9 GLU . . 9 GLU . 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 TRP C C 3.063 1.175 -1.284 1.00 . A A . 1 TRP C 1 1
1 2 1 1 1 TRP CA C 2.092 0.000 -1.242 1.00 . A A . 1 TRP CA 1 1
1 3 1 1 1 TRP CB C 1.149 0.059 -2.445 1.00 . A A . 1 TRP CB 1 1
1 4 1 1 1 TRP CD1 C 3.005 -0.932 -3.908 1.00 . A A . 1 TRP CD1 1 1
1 5 1 1 1 TRP CD2 C 1.347 0.039 -5.058 1.00 . A A . 1 TRP CD2 1 1
1 6 1 1 1 TRP CE2 C 2.295 -0.461 -5.972 1.00 . A A . 1 TRP CE2 1 1
1 7 1 1 1 TRP CE3 C 0.214 0.691 -5.552 1.00 . A A . 1 TRP CE3 1 1
1 8 1 1 1 TRP CG C 1.820 -0.274 -3.743 1.00 . A A . 1 TRP CG 1 1
1 9 1 1 1 TRP CH2 C 1.024 0.315 -7.805 1.00 . A A . 1 TRP CH2 1 1
1 10 1 1 1 TRP CZ2 C 2.142 -0.327 -7.349 1.00 . A A . 1 TRP CZ2 1 1
1 11 1 1 1 TRP CZ3 C 0.064 0.823 -6.919 1.00 . A A . 1 TRP CZ3 1 1
1 12 1 1 1 TRP H1 H 1.807 0.000 0.856 1.00 . A A . 1 TRP H1 1 1
1 13 1 1 1 TRP HA H 2.656 -0.920 -1.283 1.00 . A A . 1 TRP HA 1 1
1 14 1 1 1 TRP HB2 H 0.343 -0.644 -2.297 1.00 . A A . 1 TRP HB2 1 1
1 15 1 1 1 TRP HB3 H 0.742 1.056 -2.525 1.00 . A A . 1 TRP HB3 1 1
1 16 1 1 1 TRP HD1 H 3.614 -1.301 -3.096 1.00 . A A . 1 TRP HD1 1 1
1 17 1 1 1 TRP HE1 H 4.093 -1.482 -5.619 1.00 . A A . 1 TRP HE1 1 1
1 18 1 1 1 TRP HE3 H -0.537 1.089 -4.884 1.00 . A A . 1 TRP HE3 1 1
1 19 1 1 1 TRP HH2 H 0.866 0.442 -8.865 1.00 . A A . 1 TRP HH2 1 1
1 20 1 1 1 TRP HZ2 H 2.873 -0.714 -8.045 1.00 . A A . 1 TRP HZ2 1 1
1 21 1 1 1 TRP HZ3 H -0.805 1.325 -7.319 1.00 . A A . 1 TRP HZ3 1 1
1 22 1 1 1 TRP N N 1.328 0.000 0.000 1.00 . A A . 1 TRP N 1 1
1 23 1 1 1 TRP NE1 N 3.297 -1.048 -5.246 1.00 . A A . 1 TRP NE1 1 1
1 24 1 1 1 TRP O O 2.713 2.297 -0.918 1.00 . A A . 1 TRP O 1 1
1 25 1 1 2 LYS C C 4.781 3.166 -2.575 1.00 . A A . 2 LYS C 1 1
1 26 1 1 2 LYS CA C 5.308 1.946 -1.825 1.00 . A A . 2 LYS CA 1 1
1 27 1 1 2 LYS CB C 6.554 1.401 -2.527 1.00 . A A . 2 LYS CB 1 1
1 28 1 1 2 LYS CD C 6.995 0.091 -0.429 1.00 . A A . 2 LYS CD 1 1
1 29 1 1 2 LYS CE C 7.647 -1.153 0.155 1.00 . A A . 2 LYS CE 1 1
1 30 1 1 2 LYS CG C 7.052 0.089 -1.948 1.00 . A A . 2 LYS CG 1 1
1 31 1 1 2 LYS H H 4.505 -0.004 -2.011 1.00 . A A . 2 LYS H 1 1
1 32 1 1 2 LYS HA H 5.571 2.242 -0.821 1.00 . A A . 2 LYS HA 1 1
1 33 1 1 2 LYS HB2 H 6.326 1.247 -3.571 1.00 . A A . 2 LYS HB2 1 1
1 34 1 1 2 LYS HB3 H 7.347 2.131 -2.444 1.00 . A A . 2 LYS HB3 1 1
1 35 1 1 2 LYS HD2 H 7.513 0.963 -0.059 1.00 . A A . 2 LYS HD2 1 1
1 36 1 1 2 LYS HD3 H 5.960 0.125 -0.117 1.00 . A A . 2 LYS HD3 1 1
1 37 1 1 2 LYS HE2 H 7.073 -2.017 -0.141 1.00 . A A . 2 LYS HE2 1 1
1 38 1 1 2 LYS HE3 H 8.650 -1.235 -0.236 1.00 . A A . 2 LYS HE3 1 1
1 39 1 1 2 LYS HG2 H 6.435 -0.716 -2.319 1.00 . A A . 2 LYS HG2 1 1
1 40 1 1 2 LYS HG3 H 8.076 -0.066 -2.260 1.00 . A A . 2 LYS HG3 1 1
1 41 1 1 2 LYS HZ1 H 6.956 -0.484 2.010 1.00 . A A . 2 LYS HZ1 1 1
1 42 1 1 2 LYS HZ2 H 8.630 -0.723 1.947 1.00 . A A . 2 LYS HZ2 1 1
1 43 1 1 2 LYS HZ3 H 7.590 -2.052 2.039 1.00 . A A . 2 LYS HZ3 1 1
1 44 1 1 2 LYS N N 4.285 0.911 -1.733 1.00 . A A . 2 LYS N 1 1
1 45 1 1 2 LYS NZ N 7.710 -1.099 1.642 1.00 . A A . 2 LYS NZ 1 1
1 46 1 1 2 LYS O O 4.977 4.304 -2.146 1.00 . A A . 2 LYS O 1 1
1 47 1 1 3 LEU C C 2.397 4.680 -3.784 1.00 . A A . 3 LEU C 1 1
1 48 1 1 3 LEU CA C 3.556 4.000 -4.506 1.00 . A A . 3 LEU CA 1 1
1 49 1 1 3 LEU CB C 3.083 3.458 -5.857 1.00 . A A . 3 LEU CB 1 1
1 50 1 1 3 LEU CD1 C 5.480 2.861 -6.282 1.00 . A A . 3 LEU CD1 1 1
1 51 1 1 3 LEU CD2 C 3.726 2.251 -7.958 1.00 . A A . 3 LEU CD2 1 1
1 52 1 1 3 LEU CG C 4.165 3.276 -6.922 1.00 . A A . 3 LEU CG 1 1
1 53 1 1 3 LEU H H 3.989 1.994 -3.987 1.00 . A A . 3 LEU H 1 1
1 54 1 1 3 LEU HA H 4.337 4.726 -4.672 1.00 . A A . 3 LEU HA 1 1
1 55 1 1 3 LEU HB2 H 2.623 2.498 -5.685 1.00 . A A . 3 LEU HB2 1 1
1 56 1 1 3 LEU HB3 H 2.345 4.145 -6.247 1.00 . A A . 3 LEU HB3 1 1
1 57 1 1 3 LEU HD11 H 6.239 2.772 -7.044 1.00 . A A . 3 LEU HD11 1 1
1 58 1 1 3 LEU HD12 H 5.354 1.909 -5.787 1.00 . A A . 3 LEU HD12 1 1
1 59 1 1 3 LEU HD13 H 5.780 3.605 -5.559 1.00 . A A . 3 LEU HD13 1 1
1 60 1 1 3 LEU HD21 H 4.142 1.287 -7.708 1.00 . A A . 3 LEU HD21 1 1
1 61 1 1 3 LEU HD22 H 4.077 2.553 -8.933 1.00 . A A . 3 LEU HD22 1 1
1 62 1 1 3 LEU HD23 H 2.647 2.188 -7.966 1.00 . A A . 3 LEU HD23 1 1
1 63 1 1 3 LEU HG H 4.324 4.218 -7.429 1.00 . A A . 3 LEU HG 1 1
1 64 1 1 3 LEU N N 4.112 2.921 -3.696 1.00 . A A . 3 LEU N 1 1
1 65 1 1 3 LEU O O 2.000 5.792 -4.135 1.00 . A A . 3 LEU O 1 1
1 66 1 1 4 LEU C C 1.236 5.139 -0.682 1.00 . A A . 4 LEU C 1 1
1 67 1 1 4 LEU CA C 0.747 4.547 -2.000 1.00 . A A . 4 LEU CA 1 1
1 68 1 1 4 LEU CB C -0.289 3.454 -1.727 1.00 . A A . 4 LEU CB 1 1
1 69 1 1 4 LEU CD1 C -1.369 4.005 0.467 1.00 . A A . 4 LEU CD1 1 1
1 70 1 1 4 LEU CD2 C -2.043 5.240 -1.602 1.00 . A A . 4 LEU CD2 1 1
1 71 1 1 4 LEU CG C -1.576 3.906 -1.037 1.00 . A A . 4 LEU CG 1 1
1 72 1 1 4 LEU H H 2.218 3.125 -2.541 1.00 . A A . 4 LEU H 1 1
1 73 1 1 4 LEU HA H 0.286 5.330 -2.584 1.00 . A A . 4 LEU HA 1 1
1 74 1 1 4 LEU HB2 H -0.559 3.011 -2.673 1.00 . A A . 4 LEU HB2 1 1
1 75 1 1 4 LEU HB3 H 0.178 2.706 -1.101 1.00 . A A . 4 LEU HB3 1 1
1 76 1 1 4 LEU HD11 H -1.614 5.003 0.799 1.00 . A A . 4 LEU HD11 1 1
1 77 1 1 4 LEU HD12 H -0.338 3.790 0.703 1.00 . A A . 4 LEU HD12 1 1
1 78 1 1 4 LEU HD13 H -2.009 3.292 0.965 1.00 . A A . 4 LEU HD13 1 1
1 79 1 1 4 LEU HD21 H -2.163 5.156 -2.671 1.00 . A A . 4 LEU HD21 1 1
1 80 1 1 4 LEU HD22 H -1.310 6.001 -1.379 1.00 . A A . 4 LEU HD22 1 1
1 81 1 1 4 LEU HD23 H -2.989 5.509 -1.153 1.00 . A A . 4 LEU HD23 1 1
1 82 1 1 4 LEU HG H -2.351 3.175 -1.219 1.00 . A A . 4 LEU HG 1 1
1 83 1 1 4 LEU N N 1.859 4.006 -2.773 1.00 . A A . 4 LEU N 1 1
1 84 1 1 4 LEU O O 0.577 5.995 -0.092 1.00 . A A . 4 LEU O 1 1
1 85 1 1 5 SER C C 4.001 6.264 0.754 1.00 . A A . 5 SER C 1 1
1 86 1 1 5 SER CA C 2.976 5.164 1.020 1.00 . A A . 5 SER CA 1 1
1 87 1 1 5 SER CB C 3.634 4.012 1.782 1.00 . A A . 5 SER CB 1 1
1 88 1 1 5 SER H H 2.877 3.998 -0.745 1.00 . A A . 5 SER H 1 1
1 89 1 1 5 SER HA H 2.176 5.571 1.620 1.00 . A A . 5 SER HA 1 1
1 90 1 1 5 SER HB2 H 4.423 3.589 1.179 1.00 . A A . 5 SER HB2 1 1
1 91 1 1 5 SER HB3 H 4.049 4.387 2.707 1.00 . A A . 5 SER HB3 1 1
1 92 1 1 5 SER HG H 3.152 2.164 2.218 1.00 . A A . 5 SER HG 1 1
1 93 1 1 5 SER N N 2.399 4.681 -0.229 1.00 . A A . 5 SER N 1 1
1 94 1 1 5 SER O O 4.328 7.051 1.642 1.00 . A A . 5 SER O 1 1
1 95 1 1 5 SER OG O 2.693 2.996 2.081 1.00 . A A . 5 SER OG 1 1
1 96 1 1 6 LYS C C 5.011 8.715 -0.498 1.00 . A A . 6 LYS C 1 1
1 97 1 1 6 LYS CA C 5.489 7.313 -0.861 1.00 . A A . 6 LYS CA 1 1
1 98 1 1 6 LYS CB C 5.769 7.231 -2.363 1.00 . A A . 6 LYS CB 1 1
1 99 1 1 6 LYS CD C 7.566 5.655 -3.136 1.00 . A A . 6 LYS CD 1 1
1 100 1 1 6 LYS CE C 8.180 4.849 -2.002 1.00 . A A . 6 LYS CE 1 1
1 101 1 1 6 LYS CG C 7.242 7.074 -2.699 1.00 . A A . 6 LYS CG 1 1
1 102 1 1 6 LYS H H 4.202 5.656 -1.140 1.00 . A A . 6 LYS H 1 1
1 103 1 1 6 LYS HA H 6.401 7.106 -0.321 1.00 . A A . 6 LYS HA 1 1
1 104 1 1 6 LYS HB2 H 5.236 6.385 -2.771 1.00 . A A . 6 LYS HB2 1 1
1 105 1 1 6 LYS HB3 H 5.408 8.134 -2.834 1.00 . A A . 6 LYS HB3 1 1
1 106 1 1 6 LYS HD2 H 6.657 5.169 -3.456 1.00 . A A . 6 LYS HD2 1 1
1 107 1 1 6 LYS HD3 H 8.266 5.692 -3.959 1.00 . A A . 6 LYS HD3 1 1
1 108 1 1 6 LYS HE2 H 7.481 4.819 -1.180 1.00 . A A . 6 LYS HE2 1 1
1 109 1 1 6 LYS HE3 H 8.368 3.845 -2.352 1.00 . A A . 6 LYS HE3 1 1
1 110 1 1 6 LYS HG2 H 7.493 7.752 -3.502 1.00 . A A . 6 LYS HG2 1 1
1 111 1 1 6 LYS HG3 H 7.829 7.315 -1.825 1.00 . A A . 6 LYS HG3 1 1
1 112 1 1 6 LYS HZ1 H 9.975 5.869 -2.325 1.00 . A A . 6 LYS HZ1 1 1
1 113 1 1 6 LYS HZ2 H 10.056 4.711 -1.094 1.00 . A A . 6 LYS HZ2 1 1
1 114 1 1 6 LYS HZ3 H 9.270 6.184 -0.820 1.00 . A A . 6 LYS HZ3 1 1
1 115 1 1 6 LYS N N 4.503 6.311 -0.475 1.00 . A A . 6 LYS N 1 1
1 116 1 1 6 LYS NZ N 9.460 5.445 -1.527 1.00 . A A . 6 LYS NZ 1 1
1 117 1 1 6 LYS O O 5.816 9.626 -0.308 1.00 . A A . 6 LYS O 1 1
1 118 1 1 7 ALA C C 3.552 10.622 1.329 1.00 . A A . 7 ALA C 1 1
1 119 1 1 7 ALA CA C 3.110 10.170 -0.059 1.00 . A A . 7 ALA CA 1 1
1 120 1 1 7 ALA CB C 1.592 10.098 -0.135 1.00 . A A . 7 ALA CB 1 1
1 121 1 1 7 ALA H H 3.105 8.116 -0.566 1.00 . A A . 7 ALA H 1 1
1 122 1 1 7 ALA HA H 3.448 10.894 -0.787 1.00 . A A . 7 ALA HA 1 1
1 123 1 1 7 ALA HB1 H 1.164 10.804 0.562 1.00 . A A . 7 ALA HB1 1 1
1 124 1 1 7 ALA HB2 H 1.270 10.340 -1.136 1.00 . A A . 7 ALA HB2 1 1
1 125 1 1 7 ALA HB3 H 1.267 9.100 0.118 1.00 . A A . 7 ALA HB3 1 1
1 126 1 1 7 ALA N N 3.695 8.880 -0.403 1.00 . A A . 7 ALA N 1 1
1 127 1 1 7 ALA O O 3.595 11.817 1.617 1.00 . A A . 7 ALA O 1 1
1 128 1 1 8 GLN C C 5.778 9.570 3.741 1.00 . A A . 8 GLN C 1 1
1 129 1 1 8 GLN CA C 4.316 9.957 3.541 1.00 . A A . 8 GLN CA 1 1
1 130 1 1 8 GLN CB C 3.438 9.223 4.556 1.00 . A A . 8 GLN CB 1 1
1 131 1 1 8 GLN CD C 2.422 7.024 5.276 1.00 . A A . 8 GLN CD 1 1
1 132 1 1 8 GLN CG C 3.161 7.775 4.185 1.00 . A A . 8 GLN CG 1 1
1 133 1 1 8 GLN H H 3.824 8.724 1.894 1.00 . A A . 8 GLN H 1 1
1 134 1 1 8 GLN HA H 4.215 11.021 3.695 1.00 . A A . 8 GLN HA 1 1
1 135 1 1 8 GLN HB2 H 3.930 9.238 5.517 1.00 . A A . 8 GLN HB2 1 1
1 136 1 1 8 GLN HB3 H 2.493 9.738 4.636 1.00 . A A . 8 GLN HB3 1 1
1 137 1 1 8 GLN HE21 H 0.899 6.685 4.044 1.00 . A A . 8 GLN HE21 1 1
1 138 1 1 8 GLN HE22 H 0.731 6.046 5.641 1.00 . A A . 8 GLN HE22 1 1
1 139 1 1 8 GLN HG2 H 2.562 7.755 3.287 1.00 . A A . 8 GLN HG2 1 1
1 140 1 1 8 GLN HG3 H 4.102 7.278 4.000 1.00 . A A . 8 GLN HG3 1 1
1 141 1 1 8 GLN N N 3.879 9.658 2.183 1.00 . A A . 8 GLN N 1 1
1 142 1 1 8 GLN NE2 N 1.230 6.536 4.955 1.00 . A A . 8 GLN NE2 1 1
1 143 1 1 8 GLN O O 6.337 9.757 4.821 1.00 . A A . 8 GLN O 1 1
1 144 1 1 8 GLN OE1 O 2.918 6.885 6.394 1.00 . A A . 8 GLN OE1 1 1
1 145 1 1 9 GLU C C 8.641 9.434 1.792 1.00 . A A . 9 GLU C 1 1
1 146 1 1 9 GLU CA C 7.786 8.613 2.754 1.00 . A A . 9 GLU CA 1 1
1 147 1 1 9 GLU CB C 7.914 7.125 2.424 1.00 . A A . 9 GLU CB 1 1
1 148 1 1 9 GLU CD C 10.317 6.858 3.156 1.00 . A A . 9 GLU CD 1 1
1 149 1 1 9 GLU CG C 8.887 6.383 3.325 1.00 . A A . 9 GLU CG 1 1
1 150 1 1 9 GLU H H 5.891 8.905 1.858 1.00 . A A . 9 GLU H 1 1
1 151 1 1 9 GLU HA H 8.138 8.781 3.761 1.00 . A A . 9 GLU HA 1 1
1 152 1 1 9 GLU HB2 H 6.943 6.662 2.519 1.00 . A A . 9 GLU HB2 1 1
1 153 1 1 9 GLU HB3 H 8.253 7.023 1.403 1.00 . A A . 9 GLU HB3 1 1
1 154 1 1 9 GLU HG2 H 8.593 6.534 4.353 1.00 . A A . 9 GLU HG2 1 1
1 155 1 1 9 GLU HG3 H 8.843 5.329 3.091 1.00 . A A . 9 GLU HG3 1 1
1 156 1 1 9 GLU N N 6.390 9.028 2.692 1.00 . A A . 9 GLU N 1 1
1 157 1 1 9 GLU O O 9.640 8.948 1.261 1.00 . A A . 9 GLU O 1 1
1 158 1 1 9 GLU OE1 O 10.973 6.429 2.184 1.00 . A A . 9 GLU OE1 1 1
1 159 1 1 9 GLU OE2 O 10.780 7.658 3.996 1.00 . A A . 9 GLU OE2 1 1
1 160 1 1 10 LYS C C 10.367 11.859 1.210 1.00 . A A . 10 LYS C 1 1
1 161 1 1 10 LYS CA C 8.968 11.572 0.675 1.00 . A A . 10 LYS CA 1 1
1 162 1 1 10 LYS CB C 8.201 12.884 0.493 1.00 . A A . 10 LYS CB 1 1
1 163 1 1 10 LYS CD C 6.451 13.651 2.124 1.00 . A A . 10 LYS CD 1 1
1 164 1 1 10 LYS CE C 6.213 13.751 3.623 1.00 . A A . 10 LYS CE 1 1
1 165 1 1 10 LYS CG C 7.934 13.618 1.796 1.00 . A A . 10 LYS CG 1 1
1 166 1 1 10 LYS H H 7.436 11.012 2.024 1.00 . A A . 10 LYS H 1 1
1 167 1 1 10 LYS HA H 9.055 11.080 -0.282 1.00 . A A . 10 LYS HA 1 1
1 168 1 1 10 LYS HB2 H 8.773 13.535 -0.152 1.00 . A A . 10 LYS HB2 1 1
1 169 1 1 10 LYS HB3 H 7.252 12.670 0.024 1.00 . A A . 10 LYS HB3 1 1
1 170 1 1 10 LYS HD2 H 6.003 14.507 1.642 1.00 . A A . 10 LYS HD2 1 1
1 171 1 1 10 LYS HD3 H 5.990 12.745 1.754 1.00 . A A . 10 LYS HD3 1 1
1 172 1 1 10 LYS HE2 H 6.296 12.765 4.054 1.00 . A A . 10 LYS HE2 1 1
1 173 1 1 10 LYS HE3 H 6.967 14.395 4.051 1.00 . A A . 10 LYS HE3 1 1
1 174 1 1 10 LYS HG2 H 8.457 13.116 2.596 1.00 . A A . 10 LYS HG2 1 1
1 175 1 1 10 LYS HG3 H 8.296 14.633 1.707 1.00 . A A . 10 LYS HG3 1 1
1 176 1 1 10 LYS HZ1 H 4.720 14.330 4.964 1.00 . A A . 10 LYS HZ1 1 1
1 177 1 1 10 LYS HZ2 H 4.128 13.714 3.504 1.00 . A A . 10 LYS HZ2 1 1
1 178 1 1 10 LYS HZ3 H 4.783 15.272 3.560 1.00 . A A . 10 LYS HZ3 1 1
1 179 1 1 10 LYS N N 8.240 10.682 1.572 1.00 . A A . 10 LYS N 1 1
1 180 1 1 10 LYS NZ N 4.867 14.306 3.935 1.00 . A A . 10 LYS NZ 1 1
1 181 1 1 10 LYS O O 10.917 12.938 0.990 1.00 . A A . 10 LYS O 1 1
2 182 1 1 1 TRP C C 3.190 0.967 -1.146 1.00 . A A . 1 TRP C 1 1
2 183 1 1 1 TRP CA C 2.216 -0.205 -1.194 1.00 . A A . 1 TRP CA 1 1
2 184 1 1 1 TRP CB C 1.333 -0.099 -2.438 1.00 . A A . 1 TRP CB 1 1
2 185 1 1 1 TRP CD1 C 3.253 -1.051 -3.843 1.00 . A A . 1 TRP CD1 1 1
2 186 1 1 1 TRP CD2 C 1.658 -0.028 -5.037 1.00 . A A . 1 TRP CD2 1 1
2 187 1 1 1 TRP CE2 C 2.647 -0.502 -5.921 1.00 . A A . 1 TRP CE2 1 1
2 188 1 1 1 TRP CE3 C 0.554 0.649 -5.562 1.00 . A A . 1 TRP CE3 1 1
2 189 1 1 1 TRP CG C 2.065 -0.390 -3.713 1.00 . A A . 1 TRP CG 1 1
2 190 1 1 1 TRP CH2 C 1.470 0.347 -7.785 1.00 . A A . 1 TRP CH2 1 1
2 191 1 1 1 TRP CZ2 C 2.562 -0.319 -7.299 1.00 . A A . 1 TRP CZ2 1 1
2 192 1 1 1 TRP CZ3 C 0.472 0.830 -6.929 1.00 . A A . 1 TRP CZ3 1 1
2 193 1 1 1 TRP H1 H 1.829 -0.280 0.886 1.00 . A A . 1 TRP H1 1 1
2 194 1 1 1 TRP HA H 2.780 -1.125 -1.241 1.00 . A A . 1 TRP HA 1 1
2 195 1 1 1 TRP HB2 H 0.518 -0.802 -2.354 1.00 . A A . 1 TRP HB2 1 1
2 196 1 1 1 TRP HB3 H 0.934 0.903 -2.503 1.00 . A A . 1 TRP HB3 1 1
2 197 1 1 1 TRP HD1 H 3.819 -1.452 -3.017 1.00 . A A . 1 TRP HD1 1 1
2 198 1 1 1 TRP HE1 H 4.420 -1.548 -5.518 1.00 . A A . 1 TRP HE1 1 1
2 199 1 1 1 TRP HE3 H -0.226 1.028 -4.918 1.00 . A A . 1 TRP HE3 1 1
2 200 1 1 1 TRP HH2 H 1.365 0.512 -8.847 1.00 . A A . 1 TRP HH2 1 1
2 201 1 1 1 TRP HZ2 H 3.324 -0.686 -7.972 1.00 . A A . 1 TRP HZ2 1 1
2 202 1 1 1 TRP HZ3 H -0.374 1.351 -7.353 1.00 . A A . 1 TRP HZ3 1 1
2 203 1 1 1 TRP N N 1.393 -0.247 0.009 1.00 . A A . 1 TRP N 1 1
2 204 1 1 1 TRP NE1 N 3.609 -1.122 -5.169 1.00 . A A . 1 TRP NE1 1 1
2 205 1 1 1 TRP O O 2.825 2.075 -0.752 1.00 . A A . 1 TRP O 1 1
2 206 1 1 2 LYS C C 4.974 2.996 -2.290 1.00 . A A . 2 LYS C 1 1
2 207 1 1 2 LYS CA C 5.458 1.751 -1.553 1.00 . A A . 2 LYS CA 1 1
2 208 1 1 2 LYS CB C 6.739 1.225 -2.206 1.00 . A A . 2 LYS CB 1 1
2 209 1 1 2 LYS CD C 6.971 -0.292 -0.218 1.00 . A A . 2 LYS CD 1 1
2 210 1 1 2 LYS CE C 7.944 -1.056 0.667 1.00 . A A . 2 LYS CE 1 1
2 211 1 1 2 LYS CG C 7.702 0.581 -1.224 1.00 . A A . 2 LYS CG 1 1
2 212 1 1 2 LYS H H 4.662 -0.187 -1.852 1.00 . A A . 2 LYS H 1 1
2 213 1 1 2 LYS HA H 5.669 2.014 -0.528 1.00 . A A . 2 LYS HA 1 1
2 214 1 1 2 LYS HB2 H 6.472 0.491 -2.952 1.00 . A A . 2 LYS HB2 1 1
2 215 1 1 2 LYS HB3 H 7.246 2.048 -2.689 1.00 . A A . 2 LYS HB3 1 1
2 216 1 1 2 LYS HD2 H 6.351 0.334 0.406 1.00 . A A . 2 LYS HD2 1 1
2 217 1 1 2 LYS HD3 H 6.351 -0.999 -0.751 1.00 . A A . 2 LYS HD3 1 1
2 218 1 1 2 LYS HE2 H 8.821 -0.447 0.825 1.00 . A A . 2 LYS HE2 1 1
2 219 1 1 2 LYS HE3 H 7.468 -1.255 1.615 1.00 . A A . 2 LYS HE3 1 1
2 220 1 1 2 LYS HG2 H 8.405 -0.030 -1.771 1.00 . A A . 2 LYS HG2 1 1
2 221 1 1 2 LYS HG3 H 8.234 1.358 -0.694 1.00 . A A . 2 LYS HG3 1 1
2 222 1 1 2 LYS HZ1 H 9.357 -2.539 0.257 1.00 . A A . 2 LYS HZ1 1 1
2 223 1 1 2 LYS HZ2 H 8.227 -2.309 -0.981 1.00 . A A . 2 LYS HZ2 1 1
2 224 1 1 2 LYS HZ3 H 7.780 -3.125 0.431 1.00 . A A . 2 LYS HZ3 1 1
2 225 1 1 2 LYS N N 4.431 0.717 -1.549 1.00 . A A . 2 LYS N 1 1
2 226 1 1 2 LYS NZ N 8.356 -2.348 0.051 1.00 . A A . 2 LYS NZ 1 1
2 227 1 1 2 LYS O O 5.192 4.121 -1.839 1.00 . A A . 2 LYS O 1 1
2 228 1 1 3 LEU C C 2.599 4.543 -3.541 1.00 . A A . 3 LEU C 1 1
2 229 1 1 3 LEU CA C 3.798 3.892 -4.224 1.00 . A A . 3 LEU CA 1 1
2 230 1 1 3 LEU CB C 3.401 3.399 -5.616 1.00 . A A . 3 LEU CB 1 1
2 231 1 1 3 LEU CD1 C 5.806 2.775 -5.944 1.00 . A A . 3 LEU CD1 1 1
2 232 1 1 3 LEU CD2 C 4.140 2.315 -7.752 1.00 . A A . 3 LEU CD2 1 1
2 233 1 1 3 LEU CG C 4.538 3.261 -6.629 1.00 . A A . 3 LEU CG 1 1
2 234 1 1 3 LEU H H 4.172 1.868 -3.733 1.00 . A A . 3 LEU H 1 1
2 235 1 1 3 LEU HA H 4.583 4.627 -4.321 1.00 . A A . 3 LEU HA 1 1
2 236 1 1 3 LEU HB2 H 2.938 2.431 -5.504 1.00 . A A . 3 LEU HB2 1 1
2 237 1 1 3 LEU HB3 H 2.680 4.096 -6.020 1.00 . A A . 3 LEU HB3 1 1
2 238 1 1 3 LEU HD11 H 6.055 3.441 -5.133 1.00 . A A . 3 LEU HD11 1 1
2 239 1 1 3 LEU HD12 H 6.616 2.758 -6.658 1.00 . A A . 3 LEU HD12 1 1
2 240 1 1 3 LEU HD13 H 5.647 1.779 -5.557 1.00 . A A . 3 LEU HD13 1 1
2 241 1 1 3 LEU HD21 H 3.063 2.259 -7.811 1.00 . A A . 3 LEU HD21 1 1
2 242 1 1 3 LEU HD22 H 4.542 1.332 -7.554 1.00 . A A . 3 LEU HD22 1 1
2 243 1 1 3 LEU HD23 H 4.534 2.683 -8.689 1.00 . A A . 3 LEU HD23 1 1
2 244 1 1 3 LEU HG H 4.745 4.230 -7.063 1.00 . A A . 3 LEU HG 1 1
2 245 1 1 3 LEU N N 4.315 2.787 -3.425 1.00 . A A . 3 LEU N 1 1
2 246 1 1 3 LEU O O 2.203 5.657 -3.887 1.00 . A A . 3 LEU O 1 1
2 247 1 1 4 LEU C C 1.289 4.887 -0.470 1.00 . A A . 4 LEU C 1 1
2 248 1 1 4 LEU CA C 0.872 4.352 -1.836 1.00 . A A . 4 LEU CA 1 1
2 249 1 1 4 LEU CB C -0.177 3.252 -1.667 1.00 . A A . 4 LEU CB 1 1
2 250 1 1 4 LEU CD1 C -1.286 3.624 0.550 1.00 . A A . 4 LEU CD1 1 1
2 251 1 1 4 LEU CD2 C -1.911 5.044 -1.412 1.00 . A A . 4 LEU CD2 1 1
2 252 1 1 4 LEU CG C -1.470 3.660 -0.960 1.00 . A A . 4 LEU CG 1 1
2 253 1 1 4 LEU H H 2.385 2.961 -2.339 1.00 . A A . 4 LEU H 1 1
2 254 1 1 4 LEU HA H 0.445 5.161 -2.411 1.00 . A A . 4 LEU HA 1 1
2 255 1 1 4 LEU HB2 H -0.438 2.891 -2.650 1.00 . A A . 4 LEU HB2 1 1
2 256 1 1 4 LEU HB3 H 0.274 2.451 -1.099 1.00 . A A . 4 LEU HB3 1 1
2 257 1 1 4 LEU HD11 H -1.932 2.870 0.973 1.00 . A A . 4 LEU HD11 1 1
2 258 1 1 4 LEU HD12 H -1.537 4.589 0.966 1.00 . A A . 4 LEU HD12 1 1
2 259 1 1 4 LEU HD13 H -0.258 3.389 0.782 1.00 . A A . 4 LEU HD13 1 1
2 260 1 1 4 LEU HD21 H -2.990 5.096 -1.411 1.00 . A A . 4 LEU HD21 1 1
2 261 1 1 4 LEU HD22 H -1.542 5.231 -2.410 1.00 . A A . 4 LEU HD22 1 1
2 262 1 1 4 LEU HD23 H -1.514 5.788 -0.736 1.00 . A A . 4 LEU HD23 1 1
2 263 1 1 4 LEU HG H -2.251 2.958 -1.217 1.00 . A A . 4 LEU HG 1 1
2 264 1 1 4 LEU N N 2.025 3.842 -2.570 1.00 . A A . 4 LEU N 1 1
2 265 1 1 4 LEU O O 0.597 5.716 0.121 1.00 . A A . 4 LEU O 1 1
2 266 1 1 5 SER C C 4.023 5.893 1.158 1.00 . A A . 5 SER C 1 1
2 267 1 1 5 SER CA C 2.935 4.837 1.323 1.00 . A A . 5 SER CA 1 1
2 268 1 1 5 SER CB C 3.484 3.639 2.100 1.00 . A A . 5 SER CB 1 1
2 269 1 1 5 SER H H 2.933 3.749 -0.493 1.00 . A A . 5 SER H 1 1
2 270 1 1 5 SER HA H 2.113 5.267 1.876 1.00 . A A . 5 SER HA 1 1
2 271 1 1 5 SER HB2 H 4.209 3.120 1.492 1.00 . A A . 5 SER HB2 1 1
2 272 1 1 5 SER HB3 H 3.958 3.988 3.006 1.00 . A A . 5 SER HB3 1 1
2 273 1 1 5 SER HG H 2.290 2.776 3.392 1.00 . A A . 5 SER HG 1 1
2 274 1 1 5 SER N N 2.426 4.408 0.026 1.00 . A A . 5 SER N 1 1
2 275 1 1 5 SER O O 4.318 6.648 2.085 1.00 . A A . 5 SER O 1 1
2 276 1 1 5 SER OG O 2.448 2.736 2.446 1.00 . A A . 5 SER OG 1 1
2 277 1 1 6 LYS C C 5.209 8.325 -0.021 1.00 . A A . 6 LYS C 1 1
2 278 1 1 6 LYS CA C 5.673 6.903 -0.320 1.00 . A A . 6 LYS CA 1 1
2 279 1 1 6 LYS CB C 6.104 6.793 -1.784 1.00 . A A . 6 LYS CB 1 1
2 280 1 1 6 LYS CD C 5.833 9.000 -2.952 1.00 . A A . 6 LYS CD 1 1
2 281 1 1 6 LYS CE C 5.930 8.959 -4.470 1.00 . A A . 6 LYS CE 1 1
2 282 1 1 6 LYS CG C 6.810 8.033 -2.305 1.00 . A A . 6 LYS CG 1 1
2 283 1 1 6 LYS H H 4.338 5.312 -0.729 1.00 . A A . 6 LYS H 1 1
2 284 1 1 6 LYS HA H 6.516 6.672 0.313 1.00 . A A . 6 LYS HA 1 1
2 285 1 1 6 LYS HB2 H 6.774 5.952 -1.887 1.00 . A A . 6 LYS HB2 1 1
2 286 1 1 6 LYS HB3 H 5.228 6.621 -2.392 1.00 . A A . 6 LYS HB3 1 1
2 287 1 1 6 LYS HD2 H 4.828 8.733 -2.660 1.00 . A A . 6 LYS HD2 1 1
2 288 1 1 6 LYS HD3 H 6.054 10.002 -2.613 1.00 . A A . 6 LYS HD3 1 1
2 289 1 1 6 LYS HE2 H 5.880 7.931 -4.793 1.00 . A A . 6 LYS HE2 1 1
2 290 1 1 6 LYS HE3 H 5.098 9.508 -4.885 1.00 . A A . 6 LYS HE3 1 1
2 291 1 1 6 LYS HG2 H 7.300 8.530 -1.482 1.00 . A A . 6 LYS HG2 1 1
2 292 1 1 6 LYS HG3 H 7.546 7.735 -3.038 1.00 . A A . 6 LYS HG3 1 1
2 293 1 1 6 LYS HZ1 H 8.013 9.008 -4.618 1.00 . A A . 6 LYS HZ1 1 1
2 294 1 1 6 LYS HZ2 H 7.290 10.538 -4.616 1.00 . A A . 6 LYS HZ2 1 1
2 295 1 1 6 LYS HZ3 H 7.214 9.569 -6.000 1.00 . A A . 6 LYS HZ3 1 1
2 296 1 1 6 LYS N N 4.617 5.940 -0.029 1.00 . A A . 6 LYS N 1 1
2 297 1 1 6 LYS NZ N 7.201 9.560 -4.960 1.00 . A A . 6 LYS NZ 1 1
2 298 1 1 6 LYS O O 6.020 9.206 0.263 1.00 . A A . 6 LYS O 1 1
2 299 1 1 7 ALA C C 3.541 10.262 1.635 1.00 . A A . 7 ALA C 1 1
2 300 1 1 7 ALA CA C 3.328 9.856 0.181 1.00 . A A . 7 ALA CA 1 1
2 301 1 1 7 ALA CB C 1.845 9.865 -0.160 1.00 . A A . 7 ALA CB 1 1
2 302 1 1 7 ALA H H 3.303 7.799 -0.318 1.00 . A A . 7 ALA H 1 1
2 303 1 1 7 ALA HA H 3.823 10.572 -0.459 1.00 . A A . 7 ALA HA 1 1
2 304 1 1 7 ALA HB1 H 1.687 10.444 -1.059 1.00 . A A . 7 ALA HB1 1 1
2 305 1 1 7 ALA HB2 H 1.505 8.853 -0.319 1.00 . A A . 7 ALA HB2 1 1
2 306 1 1 7 ALA HB3 H 1.291 10.307 0.655 1.00 . A A . 7 ALA HB3 1 1
2 307 1 1 7 ALA N N 3.899 8.542 -0.086 1.00 . A A . 7 ALA N 1 1
2 308 1 1 7 ALA O O 3.476 11.443 1.974 1.00 . A A . 7 ALA O 1 1
2 309 1 1 8 GLN C C 5.395 9.046 4.339 1.00 . A A . 8 GLN C 1 1
2 310 1 1 8 GLN CA C 4.016 9.532 3.907 1.00 . A A . 8 GLN CA 1 1
2 311 1 1 8 GLN CB C 2.935 8.848 4.745 1.00 . A A . 8 GLN CB 1 1
2 312 1 1 8 GLN CD C 1.945 6.634 5.453 1.00 . A A . 8 GLN CD 1 1
2 313 1 1 8 GLN CG C 2.729 7.384 4.394 1.00 . A A . 8 GLN CG 1 1
2 314 1 1 8 GLN H H 3.833 8.355 2.158 1.00 . A A . 8 GLN H 1 1
2 315 1 1 8 GLN HA H 3.959 10.599 4.064 1.00 . A A . 8 GLN HA 1 1
2 316 1 1 8 GLN HB2 H 3.211 8.911 5.788 1.00 . A A . 8 GLN HB2 1 1
2 317 1 1 8 GLN HB3 H 1.999 9.366 4.597 1.00 . A A . 8 GLN HB3 1 1
2 318 1 1 8 GLN HE21 H 0.520 6.209 4.133 1.00 . A A . 8 GLN HE21 1 1
2 319 1 1 8 GLN HE22 H 0.267 5.604 5.731 1.00 . A A . 8 GLN HE22 1 1
2 320 1 1 8 GLN HG2 H 2.190 7.323 3.460 1.00 . A A . 8 GLN HG2 1 1
2 321 1 1 8 GLN HG3 H 3.695 6.914 4.282 1.00 . A A . 8 GLN HG3 1 1
2 322 1 1 8 GLN N N 3.795 9.276 2.489 1.00 . A A . 8 GLN N 1 1
2 323 1 1 8 GLN NE2 N 0.794 6.095 5.068 1.00 . A A . 8 GLN NE2 1 1
2 324 1 1 8 GLN O O 5.808 9.256 5.480 1.00 . A A . 8 GLN O 1 1
2 325 1 1 8 GLN OE1 O 2.368 6.541 6.606 1.00 . A A . 8 GLN OE1 1 1
2 326 1 1 9 GLU C C 8.483 8.554 2.828 1.00 . A A . 9 GLU C 1 1
2 327 1 1 9 GLU CA C 7.436 7.879 3.709 1.00 . A A . 9 GLU CA 1 1
2 328 1 1 9 GLU CB C 7.476 6.364 3.498 1.00 . A A . 9 GLU CB 1 1
2 329 1 1 9 GLU CD C 7.725 4.396 5.062 1.00 . A A . 9 GLU CD 1 1
2 330 1 1 9 GLU CG C 6.866 5.574 4.644 1.00 . A A . 9 GLU CG 1 1
2 331 1 1 9 GLU H H 5.720 8.260 2.529 1.00 . A A . 9 GLU H 1 1
2 332 1 1 9 GLU HA H 7.659 8.095 4.743 1.00 . A A . 9 GLU HA 1 1
2 333 1 1 9 GLU HB2 H 6.936 6.124 2.594 1.00 . A A . 9 GLU HB2 1 1
2 334 1 1 9 GLU HB3 H 8.505 6.056 3.384 1.00 . A A . 9 GLU HB3 1 1
2 335 1 1 9 GLU HG2 H 6.744 6.230 5.492 1.00 . A A . 9 GLU HG2 1 1
2 336 1 1 9 GLU HG3 H 5.899 5.204 4.335 1.00 . A A . 9 GLU HG3 1 1
2 337 1 1 9 GLU N N 6.103 8.396 3.421 1.00 . A A . 9 GLU N 1 1
2 338 1 1 9 GLU O O 9.490 7.946 2.465 1.00 . A A . 9 GLU O 1 1
2 339 1 1 9 GLU OE1 O 8.296 3.733 4.171 1.00 . A A . 9 GLU OE1 1 1
2 340 1 1 9 GLU OE2 O 7.825 4.137 6.280 1.00 . A A . 9 GLU OE2 1 1
2 341 1 1 10 LYS C C 10.264 11.206 2.492 1.00 . A A . 10 LYS C 1 1
2 342 1 1 10 LYS CA C 9.159 10.575 1.651 1.00 . A A . 10 LYS CA 1 1
2 343 1 1 10 LYS CB C 8.403 11.662 0.884 1.00 . A A . 10 LYS CB 1 1
2 344 1 1 10 LYS CD C 7.242 13.885 1.032 1.00 . A A . 10 LYS CD 1 1
2 345 1 1 10 LYS CE C 8.431 14.805 0.802 1.00 . A A . 10 LYS CE 1 1
2 346 1 1 10 LYS CG C 7.647 12.627 1.781 1.00 . A A . 10 LYS CG 1 1
2 347 1 1 10 LYS H H 7.418 10.246 2.810 1.00 . A A . 10 LYS H 1 1
2 348 1 1 10 LYS HA H 9.606 9.892 0.945 1.00 . A A . 10 LYS HA 1 1
2 349 1 1 10 LYS HB2 H 9.110 12.229 0.296 1.00 . A A . 10 LYS HB2 1 1
2 350 1 1 10 LYS HB3 H 7.693 11.190 0.220 1.00 . A A . 10 LYS HB3 1 1
2 351 1 1 10 LYS HD2 H 6.828 13.606 0.074 1.00 . A A . 10 LYS HD2 1 1
2 352 1 1 10 LYS HD3 H 6.496 14.413 1.609 1.00 . A A . 10 LYS HD3 1 1
2 353 1 1 10 LYS HE2 H 9.133 14.673 1.612 1.00 . A A . 10 LYS HE2 1 1
2 354 1 1 10 LYS HE3 H 8.904 14.534 -0.131 1.00 . A A . 10 LYS HE3 1 1
2 355 1 1 10 LYS HG2 H 6.758 12.139 2.151 1.00 . A A . 10 LYS HG2 1 1
2 356 1 1 10 LYS HG3 H 8.281 12.902 2.612 1.00 . A A . 10 LYS HG3 1 1
2 357 1 1 10 LYS HZ1 H 7.141 16.333 0.200 1.00 . A A . 10 LYS HZ1 1 1
2 358 1 1 10 LYS HZ2 H 8.765 16.799 0.281 1.00 . A A . 10 LYS HZ2 1 1
2 359 1 1 10 LYS HZ3 H 7.870 16.604 1.702 1.00 . A A . 10 LYS HZ3 1 1
2 360 1 1 10 LYS N N 8.238 9.815 2.489 1.00 . A A . 10 LYS N 1 1
2 361 1 1 10 LYS NZ N 8.023 16.235 0.742 1.00 . A A . 10 LYS NZ 1 1
2 362 1 1 10 LYS O O 11.129 10.509 3.022 1.00 . A A . 10 LYS O 1 1
3 363 1 1 1 TRP C C 3.168 1.116 -1.140 1.00 . A A . 1 TRP C 1 1
3 364 1 1 1 TRP CA C 2.235 -0.090 -1.151 1.00 . A A . 1 TRP CA 1 1
3 365 1 1 1 TRP CB C 1.331 -0.040 -2.384 1.00 . A A . 1 TRP CB 1 1
3 366 1 1 1 TRP CD1 C 3.253 -0.995 -3.785 1.00 . A A . 1 TRP CD1 1 1
3 367 1 1 1 TRP CD2 C 1.607 -0.070 -4.989 1.00 . A A . 1 TRP CD2 1 1
3 368 1 1 1 TRP CE2 C 2.593 -0.552 -5.872 1.00 . A A . 1 TRP CE2 1 1
3 369 1 1 1 TRP CE3 C 0.474 0.552 -5.520 1.00 . A A . 1 TRP CE3 1 1
3 370 1 1 1 TRP CG C 2.049 -0.364 -3.659 1.00 . A A . 1 TRP CG 1 1
3 371 1 1 1 TRP CH2 C 1.359 0.184 -7.747 1.00 . A A . 1 TRP CH2 1 1
3 372 1 1 1 TRP CZ2 C 2.479 -0.429 -7.254 1.00 . A A . 1 TRP CZ2 1 1
3 373 1 1 1 TRP CZ3 C 0.362 0.673 -6.892 1.00 . A A . 1 TRP CZ3 1 1
3 374 1 1 1 TRP H1 H 1.879 -0.137 0.936 1.00 . A A . 1 TRP H1 1 1
3 375 1 1 1 TRP HA H 2.830 -0.990 -1.188 1.00 . A A . 1 TRP HA 1 1
3 376 1 1 1 TRP HB2 H 0.529 -0.752 -2.263 1.00 . A A . 1 TRP HB2 1 1
3 377 1 1 1 TRP HB3 H 0.915 0.953 -2.477 1.00 . A A . 1 TRP HB3 1 1
3 378 1 1 1 TRP HD1 H 3.846 -1.344 -2.953 1.00 . A A . 1 TRP HD1 1 1
3 379 1 1 1 TRP HE1 H 4.404 -1.528 -5.459 1.00 . A A . 1 TRP HE1 1 1
3 380 1 1 1 TRP HE3 H -0.305 0.936 -4.878 1.00 . A A . 1 TRP HE3 1 1
3 381 1 1 1 TRP HH2 H 1.230 0.300 -8.812 1.00 . A A . 1 TRP HH2 1 1
3 382 1 1 1 TRP HZ2 H 3.239 -0.802 -7.926 1.00 . A A . 1 TRP HZ2 1 1
3 383 1 1 1 TRP HZ3 H -0.507 1.151 -7.321 1.00 . A A . 1 TRP HZ3 1 1
3 384 1 1 1 TRP N N 1.430 -0.136 0.065 1.00 . A A . 1 TRP N 1 1
3 385 1 1 1 TRP NE1 N 3.587 -1.111 -5.113 1.00 . A A . 1 TRP NE1 1 1
3 386 1 1 1 TRP O O 2.767 2.221 -0.774 1.00 . A A . 1 TRP O 1 1
3 387 1 1 2 LYS C C 4.877 3.170 -2.360 1.00 . A A . 2 LYS C 1 1
3 388 1 1 2 LYS CA C 5.405 1.967 -1.584 1.00 . A A . 2 LYS CA 1 1
3 389 1 1 2 LYS CB C 6.703 1.465 -2.220 1.00 . A A . 2 LYS CB 1 1
3 390 1 1 2 LYS CD C 7.092 0.128 -0.130 1.00 . A A . 2 LYS CD 1 1
3 391 1 1 2 LYS CE C 7.723 -1.127 0.454 1.00 . A A . 2 LYS CE 1 1
3 392 1 1 2 LYS CG C 7.191 0.147 -1.646 1.00 . A A . 2 LYS CG 1 1
3 393 1 1 2 LYS H H 4.674 -0.005 -1.825 1.00 . A A . 2 LYS H 1 1
3 394 1 1 2 LYS HA H 5.606 2.270 -0.567 1.00 . A A . 2 LYS HA 1 1
3 395 1 1 2 LYS HB2 H 6.543 1.335 -3.280 1.00 . A A . 2 LYS HB2 1 1
3 396 1 1 2 LYS HB3 H 7.474 2.207 -2.070 1.00 . A A . 2 LYS HB3 1 1
3 397 1 1 2 LYS HD2 H 7.604 0.992 0.267 1.00 . A A . 2 LYS HD2 1 1
3 398 1 1 2 LYS HD3 H 6.050 0.162 0.155 1.00 . A A . 2 LYS HD3 1 1
3 399 1 1 2 LYS HE2 H 7.075 -1.514 1.225 1.00 . A A . 2 LYS HE2 1 1
3 400 1 1 2 LYS HE3 H 7.827 -1.861 -0.331 1.00 . A A . 2 LYS HE3 1 1
3 401 1 1 2 LYS HG2 H 6.588 -0.655 -2.045 1.00 . A A . 2 LYS HG2 1 1
3 402 1 1 2 LYS HG3 H 8.223 0.000 -1.932 1.00 . A A . 2 LYS HG3 1 1
3 403 1 1 2 LYS HZ1 H 9.634 -1.721 1.054 1.00 . A A . 2 LYS HZ1 1 1
3 404 1 1 2 LYS HZ2 H 8.962 -0.502 2.016 1.00 . A A . 2 LYS HZ2 1 1
3 405 1 1 2 LYS HZ3 H 9.560 -0.133 0.477 1.00 . A A . 2 LYS HZ3 1 1
3 406 1 1 2 LYS N N 4.414 0.898 -1.545 1.00 . A A . 2 LYS N 1 1
3 407 1 1 2 LYS NZ N 9.064 -0.852 1.041 1.00 . A A . 2 LYS NZ 1 1
3 408 1 1 2 LYS O O 5.007 4.312 -1.919 1.00 . A A . 2 LYS O 1 1
3 409 1 1 3 LEU C C 2.544 4.638 -3.674 1.00 . A A . 3 LEU C 1 1
3 410 1 1 3 LEU CA C 3.732 3.966 -4.355 1.00 . A A . 3 LEU CA 1 1
3 411 1 1 3 LEU CB C 3.305 3.403 -5.711 1.00 . A A . 3 LEU CB 1 1
3 412 1 1 3 LEU CD1 C 5.742 2.936 -6.070 1.00 . A A . 3 LEU CD1 1 1
3 413 1 1 3 LEU CD2 C 4.060 2.144 -7.744 1.00 . A A . 3 LEU CD2 1 1
3 414 1 1 3 LEU CG C 4.416 3.240 -6.750 1.00 . A A . 3 LEU CG 1 1
3 415 1 1 3 LEU H H 4.207 1.976 -3.816 1.00 . A A . 3 LEU H 1 1
3 416 1 1 3 LEU HA H 4.507 4.702 -4.507 1.00 . A A . 3 LEU HA 1 1
3 417 1 1 3 LEU HB2 H 2.866 2.432 -5.543 1.00 . A A . 3 LEU HB2 1 1
3 418 1 1 3 LEU HB3 H 2.559 4.067 -6.124 1.00 . A A . 3 LEU HB3 1 1
3 419 1 1 3 LEU HD11 H 5.654 2.022 -5.502 1.00 . A A . 3 LEU HD11 1 1
3 420 1 1 3 LEU HD12 H 6.001 3.748 -5.407 1.00 . A A . 3 LEU HD12 1 1
3 421 1 1 3 LEU HD13 H 6.512 2.823 -6.819 1.00 . A A . 3 LEU HD13 1 1
3 422 1 1 3 LEU HD21 H 4.481 1.207 -7.412 1.00 . A A . 3 LEU HD21 1 1
3 423 1 1 3 LEU HD22 H 4.461 2.395 -8.715 1.00 . A A . 3 LEU HD22 1 1
3 424 1 1 3 LEU HD23 H 2.985 2.054 -7.811 1.00 . A A . 3 LEU HD23 1 1
3 425 1 1 3 LEU HG H 4.526 4.166 -7.297 1.00 . A A . 3 LEU HG 1 1
3 426 1 1 3 LEU N N 4.281 2.905 -3.517 1.00 . A A . 3 LEU N 1 1
3 427 1 1 3 LEU O O 2.136 5.736 -4.054 1.00 . A A . 3 LEU O 1 1
3 428 1 1 4 LEU C C 1.290 5.069 -0.580 1.00 . A A . 4 LEU C 1 1
3 429 1 1 4 LEU CA C 0.853 4.505 -1.928 1.00 . A A . 4 LEU CA 1 1
3 430 1 1 4 LEU CB C -0.200 3.415 -1.720 1.00 . A A . 4 LEU CB 1 1
3 431 1 1 4 LEU CD1 C -2.566 2.830 -1.134 1.00 . A A . 4 LEU CD1 1 1
3 432 1 1 4 LEU CD2 C -1.820 5.216 -1.075 1.00 . A A . 4 LEU CD2 1 1
3 433 1 1 4 LEU CG C -1.658 3.872 -1.769 1.00 . A A . 4 LEU CG 1 1
3 434 1 1 4 LEU H H 2.362 3.102 -2.408 1.00 . A A . 4 LEU H 1 1
3 435 1 1 4 LEU HA H 0.422 5.302 -2.515 1.00 . A A . 4 LEU HA 1 1
3 436 1 1 4 LEU HB2 H -0.061 2.670 -2.488 1.00 . A A . 4 LEU HB2 1 1
3 437 1 1 4 LEU HB3 H -0.025 2.967 -0.752 1.00 . A A . 4 LEU HB3 1 1
3 438 1 1 4 LEU HD11 H -2.945 2.168 -1.898 1.00 . A A . 4 LEU HD11 1 1
3 439 1 1 4 LEU HD12 H -3.392 3.323 -0.643 1.00 . A A . 4 LEU HD12 1 1
3 440 1 1 4 LEU HD13 H -2.005 2.259 -0.408 1.00 . A A . 4 LEU HD13 1 1
3 441 1 1 4 LEU HD21 H -2.853 5.527 -1.127 1.00 . A A . 4 LEU HD21 1 1
3 442 1 1 4 LEU HD22 H -1.198 5.951 -1.565 1.00 . A A . 4 LEU HD22 1 1
3 443 1 1 4 LEU HD23 H -1.522 5.126 -0.040 1.00 . A A . 4 LEU HD23 1 1
3 444 1 1 4 LEU HG H -1.958 3.989 -2.801 1.00 . A A . 4 LEU HG 1 1
3 445 1 1 4 LEU N N 1.993 3.972 -2.664 1.00 . A A . 4 LEU N 1 1
3 446 1 1 4 LEU O O 0.620 5.929 -0.008 1.00 . A A . 4 LEU O 1 1
3 447 1 1 5 SER C C 3.980 6.140 1.005 1.00 . A A . 5 SER C 1 1
3 448 1 1 5 SER CA C 2.947 5.035 1.203 1.00 . A A . 5 SER CA 1 1
3 449 1 1 5 SER CB C 3.574 3.865 1.964 1.00 . A A . 5 SER CB 1 1
3 450 1 1 5 SER H H 2.910 3.896 -0.582 1.00 . A A . 5 SER H 1 1
3 451 1 1 5 SER HA H 2.123 5.428 1.780 1.00 . A A . 5 SER HA 1 1
3 452 1 1 5 SER HB2 H 4.429 3.499 1.416 1.00 . A A . 5 SER HB2 1 1
3 453 1 1 5 SER HB3 H 3.890 4.202 2.941 1.00 . A A . 5 SER HB3 1 1
3 454 1 1 5 SER HG H 1.867 3.129 2.581 1.00 . A A . 5 SER HG 1 1
3 455 1 1 5 SER N N 2.420 4.581 -0.078 1.00 . A A . 5 SER N 1 1
3 456 1 1 5 SER O O 4.339 6.847 1.947 1.00 . A A . 5 SER O 1 1
3 457 1 1 5 SER OG O 2.647 2.805 2.125 1.00 . A A . 5 SER OG 1 1
3 458 1 1 6 LYS C C 4.977 8.681 -0.102 1.00 . A A . 6 LYS C 1 1
3 459 1 1 6 LYS CA C 5.447 7.301 -0.553 1.00 . A A . 6 LYS CA 1 1
3 460 1 1 6 LYS CB C 5.723 7.311 -2.058 1.00 . A A . 6 LYS CB 1 1
3 461 1 1 6 LYS CD C 7.592 5.959 -3.053 1.00 . A A . 6 LYS CD 1 1
3 462 1 1 6 LYS CE C 7.292 5.961 -4.544 1.00 . A A . 6 LYS CE 1 1
3 463 1 1 6 LYS CG C 7.201 7.277 -2.405 1.00 . A A . 6 LYS CG 1 1
3 464 1 1 6 LYS H H 4.130 5.688 -0.937 1.00 . A A . 6 LYS H 1 1
3 465 1 1 6 LYS HA H 6.358 7.056 -0.029 1.00 . A A . 6 LYS HA 1 1
3 466 1 1 6 LYS HB2 H 5.250 6.449 -2.504 1.00 . A A . 6 LYS HB2 1 1
3 467 1 1 6 LYS HB3 H 5.295 8.207 -2.484 1.00 . A A . 6 LYS HB3 1 1
3 468 1 1 6 LYS HD2 H 8.650 5.798 -2.910 1.00 . A A . 6 LYS HD2 1 1
3 469 1 1 6 LYS HD3 H 7.037 5.159 -2.584 1.00 . A A . 6 LYS HD3 1 1
3 470 1 1 6 LYS HE2 H 6.288 5.595 -4.696 1.00 . A A . 6 LYS HE2 1 1
3 471 1 1 6 LYS HE3 H 7.365 6.974 -4.911 1.00 . A A . 6 LYS HE3 1 1
3 472 1 1 6 LYS HG2 H 7.420 8.082 -3.091 1.00 . A A . 6 LYS HG2 1 1
3 473 1 1 6 LYS HG3 H 7.777 7.407 -1.499 1.00 . A A . 6 LYS HG3 1 1
3 474 1 1 6 LYS HZ1 H 7.750 4.630 -6.087 1.00 . A A . 6 LYS HZ1 1 1
3 475 1 1 6 LYS HZ2 H 8.645 4.375 -4.674 1.00 . A A . 6 LYS HZ2 1 1
3 476 1 1 6 LYS HZ3 H 9.016 5.677 -5.688 1.00 . A A . 6 LYS HZ3 1 1
3 477 1 1 6 LYS N N 4.455 6.282 -0.227 1.00 . A A . 6 LYS N 1 1
3 478 1 1 6 LYS NZ N 8.242 5.100 -5.302 1.00 . A A . 6 LYS NZ 1 1
3 479 1 1 6 LYS O O 5.787 9.579 0.124 1.00 . A A . 6 LYS O 1 1
3 480 1 1 7 ALA C C 3.511 10.454 1.877 1.00 . A A . 7 ALA C 1 1
3 481 1 1 7 ALA CA C 3.087 10.110 0.453 1.00 . A A . 7 ALA CA 1 1
3 482 1 1 7 ALA CB C 1.570 10.062 0.349 1.00 . A A . 7 ALA CB 1 1
3 483 1 1 7 ALA H H 3.069 8.087 -0.168 1.00 . A A . 7 ALA H 1 1
3 484 1 1 7 ALA HA H 3.445 10.880 -0.214 1.00 . A A . 7 ALA HA 1 1
3 485 1 1 7 ALA HB1 H 1.287 9.412 -0.467 1.00 . A A . 7 ALA HB1 1 1
3 486 1 1 7 ALA HB2 H 1.158 9.682 1.272 1.00 . A A . 7 ALA HB2 1 1
3 487 1 1 7 ALA HB3 H 1.190 11.056 0.166 1.00 . A A . 7 ALA HB3 1 1
3 488 1 1 7 ALA N N 3.664 8.841 0.027 1.00 . A A . 7 ALA N 1 1
3 489 1 1 7 ALA O O 3.529 11.622 2.263 1.00 . A A . 7 ALA O 1 1
3 490 1 1 8 GLN C C 5.729 9.217 4.222 1.00 . A A . 8 GLN C 1 1
3 491 1 1 8 GLN CA C 4.271 9.625 4.035 1.00 . A A . 8 GLN CA 1 1
3 492 1 1 8 GLN CB C 3.378 8.820 4.982 1.00 . A A . 8 GLN CB 1 1
3 493 1 1 8 GLN CD C 2.192 6.637 5.439 1.00 . A A . 8 GLN CD 1 1
3 494 1 1 8 GLN CG C 3.099 7.406 4.499 1.00 . A A . 8 GLN CG 1 1
3 495 1 1 8 GLN H H 3.814 8.521 2.288 1.00 . A A . 8 GLN H 1 1
3 496 1 1 8 GLN HA H 4.171 10.674 4.267 1.00 . A A . 8 GLN HA 1 1
3 497 1 1 8 GLN HB2 H 3.859 8.760 5.947 1.00 . A A . 8 GLN HB2 1 1
3 498 1 1 8 GLN HB3 H 2.434 9.333 5.090 1.00 . A A . 8 GLN HB3 1 1
3 499 1 1 8 GLN HE21 H 0.744 7.974 5.176 1.00 . A A . 8 GLN HE21 1 1
3 500 1 1 8 GLN HE22 H 0.374 6.667 6.243 1.00 . A A . 8 GLN HE22 1 1
3 501 1 1 8 GLN HG2 H 2.626 7.457 3.530 1.00 . A A . 8 GLN HG2 1 1
3 502 1 1 8 GLN HG3 H 4.036 6.877 4.413 1.00 . A A . 8 GLN HG3 1 1
3 503 1 1 8 GLN N N 3.849 9.429 2.653 1.00 . A A . 8 GLN N 1 1
3 504 1 1 8 GLN NE2 N 0.981 7.144 5.641 1.00 . A A . 8 GLN NE2 1 1
3 505 1 1 8 GLN O O 6.277 9.326 5.319 1.00 . A A . 8 GLN O 1 1
3 506 1 1 8 GLN OE1 O 2.575 5.599 5.979 1.00 . A A . 8 GLN OE1 1 1
3 507 1 1 9 GLU C C 8.617 9.222 2.322 1.00 . A A . 9 GLU C 1 1
3 508 1 1 9 GLU CA C 7.744 8.322 3.192 1.00 . A A . 9 GLU CA 1 1
3 509 1 1 9 GLU CB C 7.873 6.868 2.732 1.00 . A A . 9 GLU CB 1 1
3 510 1 1 9 GLU CD C 7.785 4.484 3.562 1.00 . A A . 9 GLU CD 1 1
3 511 1 1 9 GLU CG C 7.186 5.875 3.654 1.00 . A A . 9 GLU CG 1 1
3 512 1 1 9 GLU H H 5.859 8.684 2.299 1.00 . A A . 9 GLU H 1 1
3 513 1 1 9 GLU HA H 8.079 8.397 4.216 1.00 . A A . 9 GLU HA 1 1
3 514 1 1 9 GLU HB2 H 7.438 6.775 1.748 1.00 . A A . 9 GLU HB2 1 1
3 515 1 1 9 GLU HB3 H 8.921 6.613 2.678 1.00 . A A . 9 GLU HB3 1 1
3 516 1 1 9 GLU HG2 H 7.280 6.223 4.671 1.00 . A A . 9 GLU HG2 1 1
3 517 1 1 9 GLU HG3 H 6.141 5.819 3.388 1.00 . A A . 9 GLU HG3 1 1
3 518 1 1 9 GLU N N 6.350 8.747 3.145 1.00 . A A . 9 GLU N 1 1
3 519 1 1 9 GLU O O 9.592 8.769 1.723 1.00 . A A . 9 GLU O 1 1
3 520 1 1 9 GLU OE1 O 7.473 3.768 2.587 1.00 . A A . 9 GLU OE1 1 1
3 521 1 1 9 GLU OE2 O 8.564 4.112 4.464 1.00 . A A . 9 GLU OE2 1 1
3 522 1 1 10 LYS C C 10.043 12.189 2.319 1.00 . A A . 10 LYS C 1 1
3 523 1 1 10 LYS CA C 9.008 11.466 1.463 1.00 . A A . 10 LYS CA 1 1
3 524 1 1 10 LYS CB C 8.056 12.481 0.827 1.00 . A A . 10 LYS CB 1 1
3 525 1 1 10 LYS CD C 7.800 14.790 1.783 1.00 . A A . 10 LYS CD 1 1
3 526 1 1 10 LYS CE C 6.675 15.760 2.110 1.00 . A A . 10 LYS CE 1 1
3 527 1 1 10 LYS CG C 7.327 13.348 1.839 1.00 . A A . 10 LYS CG 1 1
3 528 1 1 10 LYS H H 7.471 10.801 2.758 1.00 . A A . 10 LYS H 1 1
3 529 1 1 10 LYS HA H 9.519 10.926 0.680 1.00 . A A . 10 LYS HA 1 1
3 530 1 1 10 LYS HB2 H 8.623 13.128 0.173 1.00 . A A . 10 LYS HB2 1 1
3 531 1 1 10 LYS HB3 H 7.320 11.949 0.242 1.00 . A A . 10 LYS HB3 1 1
3 532 1 1 10 LYS HD2 H 8.597 14.927 2.499 1.00 . A A . 10 LYS HD2 1 1
3 533 1 1 10 LYS HD3 H 8.168 15.001 0.789 1.00 . A A . 10 LYS HD3 1 1
3 534 1 1 10 LYS HE2 H 6.651 16.531 1.356 1.00 . A A . 10 LYS HE2 1 1
3 535 1 1 10 LYS HE3 H 5.739 15.220 2.102 1.00 . A A . 10 LYS HE3 1 1
3 536 1 1 10 LYS HG2 H 6.268 13.319 1.627 1.00 . A A . 10 LYS HG2 1 1
3 537 1 1 10 LYS HG3 H 7.508 12.957 2.830 1.00 . A A . 10 LYS HG3 1 1
3 538 1 1 10 LYS HZ1 H 5.979 16.860 3.743 1.00 . A A . 10 LYS HZ1 1 1
3 539 1 1 10 LYS HZ2 H 7.618 17.101 3.403 1.00 . A A . 10 LYS HZ2 1 1
3 540 1 1 10 LYS HZ3 H 7.111 15.672 4.151 1.00 . A A . 10 LYS HZ3 1 1
3 541 1 1 10 LYS N N 8.259 10.500 2.258 1.00 . A A . 10 LYS N 1 1
3 542 1 1 10 LYS NZ N 6.858 16.392 3.445 1.00 . A A . 10 LYS NZ 1 1
3 543 1 1 10 LYS O O 9.925 12.238 3.543 1.00 . A A . 10 LYS O 1 1
4 544 1 1 1 TRP C C 3.132 1.111 -1.128 1.00 . A A . 1 TRP C 1 1
4 545 1 1 1 TRP CA C 2.245 -0.126 -1.212 1.00 . A A . 1 TRP CA 1 1
4 546 1 1 1 TRP CB C 1.386 -0.068 -2.476 1.00 . A A . 1 TRP CB 1 1
4 547 1 1 1 TRP CD1 C 3.392 -0.905 -3.833 1.00 . A A . 1 TRP CD1 1 1
4 548 1 1 1 TRP CD2 C 1.757 0.001 -5.068 1.00 . A A . 1 TRP CD2 1 1
4 549 1 1 1 TRP CE2 C 2.792 -0.416 -5.928 1.00 . A A . 1 TRP CE2 1 1
4 550 1 1 1 TRP CE3 C 0.622 0.599 -5.621 1.00 . A A . 1 TRP CE3 1 1
4 551 1 1 1 TRP CG C 2.161 -0.322 -3.733 1.00 . A A . 1 TRP CG 1 1
4 552 1 1 1 TRP CH2 C 1.601 0.337 -7.823 1.00 . A A . 1 TRP CH2 1 1
4 553 1 1 1 TRP CZ2 C 2.724 -0.251 -7.309 1.00 . A A . 1 TRP CZ2 1 1
4 554 1 1 1 TRP CZ3 C 0.556 0.762 -6.992 1.00 . A A . 1 TRP CZ3 1 1
4 555 1 1 1 TRP H1 H 1.816 -0.256 0.858 1.00 . A A . 1 TRP H1 1 1
4 556 1 1 1 TRP HA H 2.874 -1.003 -1.255 1.00 . A A . 1 TRP HA 1 1
4 557 1 1 1 TRP HB2 H 0.607 -0.812 -2.408 1.00 . A A . 1 TRP HB2 1 1
4 558 1 1 1 TRP HB3 H 0.937 0.912 -2.552 1.00 . A A . 1 TRP HB3 1 1
4 559 1 1 1 TRP HD1 H 3.966 -1.261 -2.992 1.00 . A A . 1 TRP HD1 1 1
4 560 1 1 1 TRP HE1 H 4.621 -1.340 -5.480 1.00 . A A . 1 TRP HE1 1 1
4 561 1 1 1 TRP HE3 H -0.194 0.932 -4.997 1.00 . A A . 1 TRP HE3 1 1
4 562 1 1 1 TRP HH2 H 1.506 0.485 -8.888 1.00 . A A . 1 TRP HH2 1 1
4 563 1 1 1 TRP HZ2 H 3.521 -0.574 -7.963 1.00 . A A . 1 TRP HZ2 1 1
4 564 1 1 1 TRP HZ3 H -0.314 1.223 -7.437 1.00 . A A . 1 TRP HZ3 1 1
4 565 1 1 1 TRP N N 1.399 -0.241 -0.029 1.00 . A A . 1 TRP N 1 1
4 566 1 1 1 TRP NE1 N 3.778 -0.964 -5.151 1.00 . A A . 1 TRP NE1 1 1
4 567 1 1 1 TRP O O 2.678 2.189 -0.742 1.00 . A A . 1 TRP O 1 1
4 568 1 1 2 LYS C C 4.809 3.264 -2.217 1.00 . A A . 2 LYS C 1 1
4 569 1 1 2 LYS CA C 5.352 2.055 -1.460 1.00 . A A . 2 LYS CA 1 1
4 570 1 1 2 LYS CB C 6.689 1.621 -2.064 1.00 . A A . 2 LYS CB 1 1
4 571 1 1 2 LYS CD C 7.051 0.231 -0.003 1.00 . A A . 2 LYS CD 1 1
4 572 1 1 2 LYS CE C 7.709 -1.017 0.565 1.00 . A A . 2 LYS CE 1 1
4 573 1 1 2 LYS CG C 7.205 0.303 -1.513 1.00 . A A . 2 LYS CG 1 1
4 574 1 1 2 LYS H H 4.703 0.068 -1.791 1.00 . A A . 2 LYS H 1 1
4 575 1 1 2 LYS HA H 5.505 2.331 -0.428 1.00 . A A . 2 LYS HA 1 1
4 576 1 1 2 LYS HB2 H 6.572 1.520 -3.133 1.00 . A A . 2 LYS HB2 1 1
4 577 1 1 2 LYS HB3 H 7.426 2.385 -1.862 1.00 . A A . 2 LYS HB3 1 1
4 578 1 1 2 LYS HD2 H 7.512 1.101 0.440 1.00 . A A . 2 LYS HD2 1 1
4 579 1 1 2 LYS HD3 H 5.998 0.215 0.242 1.00 . A A . 2 LYS HD3 1 1
4 580 1 1 2 LYS HE2 H 7.562 -1.833 -0.126 1.00 . A A . 2 LYS HE2 1 1
4 581 1 1 2 LYS HE3 H 8.767 -0.829 0.680 1.00 . A A . 2 LYS HE3 1 1
4 582 1 1 2 LYS HG2 H 6.648 -0.507 -1.960 1.00 . A A . 2 LYS HG2 1 1
4 583 1 1 2 LYS HG3 H 8.252 0.204 -1.764 1.00 . A A . 2 LYS HG3 1 1
4 584 1 1 2 LYS HZ1 H 7.534 -0.786 2.634 1.00 . A A . 2 LYS HZ1 1 1
4 585 1 1 2 LYS HZ2 H 7.363 -2.384 2.106 1.00 . A A . 2 LYS HZ2 1 1
4 586 1 1 2 LYS HZ3 H 6.104 -1.278 1.876 1.00 . A A . 2 LYS HZ3 1 1
4 587 1 1 2 LYS N N 4.400 0.951 -1.492 1.00 . A A . 2 LYS N 1 1
4 588 1 1 2 LYS NZ N 7.137 -1.392 1.888 1.00 . A A . 2 LYS NZ 1 1
4 589 1 1 2 LYS O O 4.881 4.395 -1.735 1.00 . A A . 2 LYS O 1 1
4 590 1 1 3 LEU C C 2.471 4.690 -3.569 1.00 . A A . 3 LEU C 1 1
4 591 1 1 3 LEU CA C 3.707 4.085 -4.226 1.00 . A A . 3 LEU CA 1 1
4 592 1 1 3 LEU CB C 3.351 3.552 -5.615 1.00 . A A . 3 LEU CB 1 1
4 593 1 1 3 LEU CD1 C 5.812 3.173 -5.898 1.00 . A A . 3 LEU CD1 1 1
4 594 1 1 3 LEU CD2 C 4.219 2.397 -7.664 1.00 . A A . 3 LEU CD2 1 1
4 595 1 1 3 LEU CG C 4.503 3.464 -6.616 1.00 . A A . 3 LEU CG 1 1
4 596 1 1 3 LEU H H 4.235 2.095 -3.734 1.00 . A A . 3 LEU H 1 1
4 597 1 1 3 LEU HA H 4.460 4.853 -4.326 1.00 . A A . 3 LEU HA 1 1
4 598 1 1 3 LEU HB2 H 2.942 2.561 -5.494 1.00 . A A . 3 LEU HB2 1 1
4 599 1 1 3 LEU HB3 H 2.596 4.202 -6.034 1.00 . A A . 3 LEU HB3 1 1
4 600 1 1 3 LEU HD11 H 5.737 2.229 -5.381 1.00 . A A . 3 LEU HD11 1 1
4 601 1 1 3 LEU HD12 H 6.014 3.959 -5.186 1.00 . A A . 3 LEU HD12 1 1
4 602 1 1 3 LEU HD13 H 6.615 3.126 -6.620 1.00 . A A . 3 LEU HD13 1 1
4 603 1 1 3 LEU HD21 H 4.637 2.703 -8.611 1.00 . A A . 3 LEU HD21 1 1
4 604 1 1 3 LEU HD22 H 3.152 2.269 -7.765 1.00 . A A . 3 LEU HD22 1 1
4 605 1 1 3 LEU HD23 H 4.667 1.463 -7.357 1.00 . A A . 3 LEU HD23 1 1
4 606 1 1 3 LEU HG H 4.605 4.413 -7.123 1.00 . A A . 3 LEU HG 1 1
4 607 1 1 3 LEU N N 4.264 3.017 -3.403 1.00 . A A . 3 LEU N 1 1
4 608 1 1 3 LEU O O 2.037 5.786 -3.929 1.00 . A A . 3 LEU O 1 1
4 609 1 1 4 LEU C C 1.092 4.974 -0.512 1.00 . A A . 4 LEU C 1 1
4 610 1 1 4 LEU CA C 0.724 4.440 -1.892 1.00 . A A . 4 LEU CA 1 1
4 611 1 1 4 LEU CB C -0.294 3.306 -1.758 1.00 . A A . 4 LEU CB 1 1
4 612 1 1 4 LEU CD1 C -2.656 2.618 -1.278 1.00 . A A . 4 LEU CD1 1 1
4 613 1 1 4 LEU CD2 C -2.001 5.026 -1.117 1.00 . A A . 4 LEU CD2 1 1
4 614 1 1 4 LEU CG C -1.766 3.712 -1.846 1.00 . A A . 4 LEU CG 1 1
4 615 1 1 4 LEU H H 2.300 3.107 -2.360 1.00 . A A . 4 LEU H 1 1
4 616 1 1 4 LEU HA H 0.286 5.240 -2.470 1.00 . A A . 4 LEU HA 1 1
4 617 1 1 4 LEU HB2 H -0.101 2.593 -2.545 1.00 . A A . 4 LEU HB2 1 1
4 618 1 1 4 LEU HB3 H -0.137 2.833 -0.799 1.00 . A A . 4 LEU HB3 1 1
4 619 1 1 4 LEU HD11 H -3.523 3.064 -0.814 1.00 . A A . 4 LEU HD11 1 1
4 620 1 1 4 LEU HD12 H -2.105 2.051 -0.542 1.00 . A A . 4 LEU HD12 1 1
4 621 1 1 4 LEU HD13 H -2.972 1.960 -2.075 1.00 . A A . 4 LEU HD13 1 1
4 622 1 1 4 LEU HD21 H -3.043 5.301 -1.197 1.00 . A A . 4 LEU HD21 1 1
4 623 1 1 4 LEU HD22 H -1.390 5.798 -1.560 1.00 . A A . 4 LEU HD22 1 1
4 624 1 1 4 LEU HD23 H -1.737 4.912 -0.075 1.00 . A A . 4 LEU HD23 1 1
4 625 1 1 4 LEU HG H -2.033 3.852 -2.885 1.00 . A A . 4 LEU HG 1 1
4 626 1 1 4 LEU N N 1.909 3.972 -2.603 1.00 . A A . 4 LEU N 1 1
4 627 1 1 4 LEU O O 0.370 5.791 0.061 1.00 . A A . 4 LEU O 1 1
4 628 1 1 5 SER C C 3.681 6.088 1.205 1.00 . A A . 5 SER C 1 1
4 629 1 1 5 SER CA C 2.683 4.940 1.330 1.00 . A A . 5 SER CA 1 1
4 630 1 1 5 SER CB C 3.325 3.769 2.076 1.00 . A A . 5 SER CB 1 1
4 631 1 1 5 SER H H 2.752 3.860 -0.490 1.00 . A A . 5 SER H 1 1
4 632 1 1 5 SER HA H 1.825 5.284 1.887 1.00 . A A . 5 SER HA 1 1
4 633 1 1 5 SER HB2 H 4.217 3.459 1.553 1.00 . A A . 5 SER HB2 1 1
4 634 1 1 5 SER HB3 H 3.585 4.083 3.077 1.00 . A A . 5 SER HB3 1 1
4 635 1 1 5 SER HG H 2.226 2.360 1.274 1.00 . A A . 5 SER HG 1 1
4 636 1 1 5 SER N N 2.220 4.510 0.016 1.00 . A A . 5 SER N 1 1
4 637 1 1 5 SER O O 3.977 6.777 2.181 1.00 . A A . 5 SER O 1 1
4 638 1 1 5 SER OG O 2.437 2.668 2.158 1.00 . A A . 5 SER OG 1 1
4 639 1 1 6 LYS C C 4.623 8.697 0.217 1.00 . A A . 6 LYS C 1 1
4 640 1 1 6 LYS CA C 5.160 7.350 -0.259 1.00 . A A . 6 LYS CA 1 1
4 641 1 1 6 LYS CB C 5.490 7.419 -1.752 1.00 . A A . 6 LYS CB 1 1
4 642 1 1 6 LYS CD C 7.447 6.142 -2.673 1.00 . A A . 6 LYS CD 1 1
4 643 1 1 6 LYS CE C 7.158 6.109 -4.166 1.00 . A A . 6 LYS CE 1 1
4 644 1 1 6 LYS CG C 6.980 7.445 -2.044 1.00 . A A . 6 LYS CG 1 1
4 645 1 1 6 LYS H H 3.920 5.704 -0.742 1.00 . A A . 6 LYS H 1 1
4 646 1 1 6 LYS HA H 6.060 7.121 0.290 1.00 . A A . 6 LYS HA 1 1
4 647 1 1 6 LYS HB2 H 5.062 6.558 -2.243 1.00 . A A . 6 LYS HB2 1 1
4 648 1 1 6 LYS HB3 H 5.048 8.315 -2.165 1.00 . A A . 6 LYS HB3 1 1
4 649 1 1 6 LYS HD2 H 8.512 6.041 -2.521 1.00 . A A . 6 LYS HD2 1 1
4 650 1 1 6 LYS HD3 H 6.934 5.319 -2.197 1.00 . A A . 6 LYS HD3 1 1
4 651 1 1 6 LYS HE2 H 7.486 5.160 -4.561 1.00 . A A . 6 LYS HE2 1 1
4 652 1 1 6 LYS HE3 H 6.094 6.214 -4.315 1.00 . A A . 6 LYS HE3 1 1
4 653 1 1 6 LYS HG2 H 7.191 8.256 -2.725 1.00 . A A . 6 LYS HG2 1 1
4 654 1 1 6 LYS HG3 H 7.517 7.600 -1.119 1.00 . A A . 6 LYS HG3 1 1
4 655 1 1 6 LYS HZ1 H 8.356 6.823 -5.721 1.00 . A A . 6 LYS HZ1 1 1
4 656 1 1 6 LYS HZ2 H 8.554 7.660 -4.264 1.00 . A A . 6 LYS HZ2 1 1
4 657 1 1 6 LYS HZ3 H 7.174 7.919 -5.208 1.00 . A A . 6 LYS HZ3 1 1
4 658 1 1 6 LYS N N 4.196 6.287 -0.003 1.00 . A A . 6 LYS N 1 1
4 659 1 1 6 LYS NZ N 7.860 7.204 -4.891 1.00 . A A . 6 LYS NZ 1 1
4 660 1 1 6 LYS O O 5.390 9.616 0.499 1.00 . A A . 6 LYS O 1 1
4 661 1 1 7 ALA C C 3.027 10.353 2.195 1.00 . A A . 7 ALA C 1 1
4 662 1 1 7 ALA CA C 2.663 10.037 0.749 1.00 . A A . 7 ALA CA 1 1
4 663 1 1 7 ALA CB C 1.153 9.935 0.593 1.00 . A A . 7 ALA CB 1 1
4 664 1 1 7 ALA H H 2.743 8.036 0.064 1.00 . A A . 7 ALA H 1 1
4 665 1 1 7 ALA HA H 3.012 10.841 0.116 1.00 . A A . 7 ALA HA 1 1
4 666 1 1 7 ALA HB1 H 0.746 9.357 1.410 1.00 . A A . 7 ALA HB1 1 1
4 667 1 1 7 ALA HB2 H 0.723 10.925 0.602 1.00 . A A . 7 ALA HB2 1 1
4 668 1 1 7 ALA HB3 H 0.920 9.450 -0.343 1.00 . A A . 7 ALA HB3 1 1
4 669 1 1 7 ALA N N 3.301 8.804 0.304 1.00 . A A . 7 ALA N 1 1
4 670 1 1 7 ALA O O 2.992 11.509 2.615 1.00 . A A . 7 ALA O 1 1
4 671 1 1 8 GLN C C 5.223 9.175 4.567 1.00 . A A . 8 GLN C 1 1
4 672 1 1 8 GLN CA C 3.745 9.486 4.353 1.00 . A A . 8 GLN CA 1 1
4 673 1 1 8 GLN CB C 2.888 8.582 5.240 1.00 . A A . 8 GLN CB 1 1
4 674 1 1 8 GLN CD C 2.163 6.181 4.938 1.00 . A A . 8 GLN CD 1 1
4 675 1 1 8 GLN CG C 3.316 7.124 5.218 1.00 . A A . 8 GLN CG 1 1
4 676 1 1 8 GLN H H 3.385 8.420 2.560 1.00 . A A . 8 GLN H 1 1
4 677 1 1 8 GLN HA H 3.564 10.515 4.622 1.00 . A A . 8 GLN HA 1 1
4 678 1 1 8 GLN HB2 H 2.946 8.937 6.259 1.00 . A A . 8 GLN HB2 1 1
4 679 1 1 8 GLN HB3 H 1.862 8.638 4.907 1.00 . A A . 8 GLN HB3 1 1
4 680 1 1 8 GLN HE21 H 2.621 5.104 6.545 1.00 . A A . 8 GLN HE21 1 1
4 681 1 1 8 GLN HE22 H 1.260 4.553 5.635 1.00 . A A . 8 GLN HE22 1 1
4 682 1 1 8 GLN HG2 H 4.063 6.993 4.449 1.00 . A A . 8 GLN HG2 1 1
4 683 1 1 8 GLN HG3 H 3.743 6.873 6.179 1.00 . A A . 8 GLN HG3 1 1
4 684 1 1 8 GLN N N 3.376 9.317 2.952 1.00 . A A . 8 GLN N 1 1
4 685 1 1 8 GLN NE2 N 1.998 5.177 5.792 1.00 . A A . 8 GLN NE2 1 1
4 686 1 1 8 GLN O O 5.740 9.310 5.676 1.00 . A A . 8 GLN O 1 1
4 687 1 1 8 GLN OE1 O 1.429 6.352 3.965 1.00 . A A . 8 GLN OE1 1 1
4 688 1 1 9 GLU C C 8.139 9.650 3.962 1.00 . A A . 9 GLU C 1 1
4 689 1 1 9 GLU CA C 7.314 8.426 3.573 1.00 . A A . 9 GLU CA 1 1
4 690 1 1 9 GLU CB C 7.802 7.874 2.232 1.00 . A A . 9 GLU CB 1 1
4 691 1 1 9 GLU CD C 8.539 5.809 0.978 1.00 . A A . 9 GLU CD 1 1
4 692 1 1 9 GLU CG C 7.727 6.359 2.134 1.00 . A A . 9 GLU CG 1 1
4 693 1 1 9 GLU H H 5.428 8.669 2.643 1.00 . A A . 9 GLU H 1 1
4 694 1 1 9 GLU HA H 7.439 7.668 4.331 1.00 . A A . 9 GLU HA 1 1
4 695 1 1 9 GLU HB2 H 7.198 8.295 1.442 1.00 . A A . 9 GLU HB2 1 1
4 696 1 1 9 GLU HB3 H 8.829 8.173 2.086 1.00 . A A . 9 GLU HB3 1 1
4 697 1 1 9 GLU HG2 H 8.103 5.933 3.052 1.00 . A A . 9 GLU HG2 1 1
4 698 1 1 9 GLU HG3 H 6.695 6.070 2.000 1.00 . A A . 9 GLU HG3 1 1
4 699 1 1 9 GLU N N 5.896 8.757 3.500 1.00 . A A . 9 GLU N 1 1
4 700 1 1 9 GLU O O 9.155 9.536 4.647 1.00 . A A . 9 GLU O 1 1
4 701 1 1 9 GLU OE1 O 9.746 6.122 0.899 1.00 . A A . 9 GLU OE1 1 1
4 702 1 1 9 GLU OE2 O 7.969 5.066 0.152 1.00 . A A . 9 GLU OE2 1 1
4 703 1 1 10 LYS C C 7.411 13.133 4.299 1.00 . A A . 10 LYS C 1 1
4 704 1 1 10 LYS CA C 8.390 12.067 3.818 1.00 . A A . 10 LYS CA 1 1
4 705 1 1 10 LYS CB C 9.139 12.568 2.582 1.00 . A A . 10 LYS CB 1 1
4 706 1 1 10 LYS CD C 7.789 14.202 1.233 1.00 . A A . 10 LYS CD 1 1
4 707 1 1 10 LYS CE C 7.975 14.717 -0.186 1.00 . A A . 10 LYS CE 1 1
4 708 1 1 10 LYS CG C 8.248 12.759 1.366 1.00 . A A . 10 LYS CG 1 1
4 709 1 1 10 LYS H H 6.878 10.847 2.975 1.00 . A A . 10 LYS H 1 1
4 710 1 1 10 LYS HA H 9.102 11.868 4.605 1.00 . A A . 10 LYS HA 1 1
4 711 1 1 10 LYS HB2 H 9.603 13.515 2.815 1.00 . A A . 10 LYS HB2 1 1
4 712 1 1 10 LYS HB3 H 9.909 11.853 2.328 1.00 . A A . 10 LYS HB3 1 1
4 713 1 1 10 LYS HD2 H 6.743 14.263 1.492 1.00 . A A . 10 LYS HD2 1 1
4 714 1 1 10 LYS HD3 H 8.366 14.818 1.909 1.00 . A A . 10 LYS HD3 1 1
4 715 1 1 10 LYS HE2 H 7.607 13.973 -0.876 1.00 . A A . 10 LYS HE2 1 1
4 716 1 1 10 LYS HE3 H 7.405 15.628 -0.301 1.00 . A A . 10 LYS HE3 1 1
4 717 1 1 10 LYS HG2 H 8.801 12.486 0.480 1.00 . A A . 10 LYS HG2 1 1
4 718 1 1 10 LYS HG3 H 7.381 12.122 1.464 1.00 . A A . 10 LYS HG3 1 1
4 719 1 1 10 LYS HZ1 H 9.514 15.248 -1.495 1.00 . A A . 10 LYS HZ1 1 1
4 720 1 1 10 LYS HZ2 H 9.984 14.158 -0.290 1.00 . A A . 10 LYS HZ2 1 1
4 721 1 1 10 LYS HZ3 H 9.747 15.788 0.092 1.00 . A A . 10 LYS HZ3 1 1
4 722 1 1 10 LYS N N 7.695 10.821 3.518 1.00 . A A . 10 LYS N 1 1
4 723 1 1 10 LYS NZ N 9.405 14.997 -0.491 1.00 . A A . 10 LYS NZ 1 1
4 724 1 1 10 LYS O O 7.453 13.552 5.456 1.00 . A A . 10 LYS O 1 1
5 725 1 1 1 TRP C C 3.118 0.957 -1.193 1.00 . A A . 1 TRP C 1 1
5 726 1 1 1 TRP CA C 2.136 -0.209 -1.236 1.00 . A A . 1 TRP CA 1 1
5 727 1 1 1 TRP CB C 1.265 -0.113 -2.489 1.00 . A A . 1 TRP CB 1 1
5 728 1 1 1 TRP CD1 C 3.193 -1.091 -3.866 1.00 . A A . 1 TRP CD1 1 1
5 729 1 1 1 TRP CD2 C 1.615 -0.071 -5.085 1.00 . A A . 1 TRP CD2 1 1
5 730 1 1 1 TRP CE2 C 2.609 -0.560 -5.955 1.00 . A A . 1 TRP CE2 1 1
5 731 1 1 1 TRP CE3 C 0.519 0.606 -5.628 1.00 . A A . 1 TRP CE3 1 1
5 732 1 1 1 TRP CG C 2.007 -0.422 -3.754 1.00 . A A . 1 TRP CG 1 1
5 733 1 1 1 TRP CH2 C 1.455 0.276 -7.839 1.00 . A A . 1 TRP CH2 1 1
5 734 1 1 1 TRP CZ2 C 2.539 -0.391 -7.336 1.00 . A A . 1 TRP CZ2 1 1
5 735 1 1 1 TRP CZ3 C 0.451 0.773 -6.998 1.00 . A A . 1 TRP CZ3 1 1
5 736 1 1 1 TRP H1 H 1.730 -0.254 0.842 1.00 . A A . 1 TRP H1 1 1
5 737 1 1 1 TRP HA H 2.694 -1.133 -1.266 1.00 . A A . 1 TRP HA 1 1
5 738 1 1 1 TRP HB2 H 0.445 -0.811 -2.405 1.00 . A A . 1 TRP HB2 1 1
5 739 1 1 1 TRP HB3 H 0.872 0.890 -2.569 1.00 . A A . 1 TRP HB3 1 1
5 740 1 1 1 TRP HD1 H 3.749 -1.486 -3.030 1.00 . A A . 1 TRP HD1 1 1
5 741 1 1 1 TRP HE1 H 4.372 -1.612 -5.524 1.00 . A A . 1 TRP HE1 1 1
5 742 1 1 1 TRP HE3 H -0.265 0.997 -4.996 1.00 . A A . 1 TRP HE3 1 1
5 743 1 1 1 TRP HH2 H 1.361 0.430 -8.903 1.00 . A A . 1 TRP HH2 1 1
5 744 1 1 1 TRP HZ2 H 3.304 -0.769 -7.997 1.00 . A A . 1 TRP HZ2 1 1
5 745 1 1 1 TRP HZ3 H -0.388 1.295 -7.435 1.00 . A A . 1 TRP HZ3 1 1
5 746 1 1 1 TRP N N 1.302 -0.231 -0.040 1.00 . A A . 1 TRP N 1 1
5 747 1 1 1 TRP NE1 N 3.561 -1.177 -5.187 1.00 . A A . 1 TRP NE1 1 1
5 748 1 1 1 TRP O O 2.757 2.072 -0.815 1.00 . A A . 1 TRP O 1 1
5 749 1 1 2 LYS C C 4.923 2.961 -2.345 1.00 . A A . 2 LYS C 1 1
5 750 1 1 2 LYS CA C 5.394 1.721 -1.591 1.00 . A A . 2 LYS CA 1 1
5 751 1 1 2 LYS CB C 6.676 1.180 -2.229 1.00 . A A . 2 LYS CB 1 1
5 752 1 1 2 LYS CD C 6.983 -0.159 -0.126 1.00 . A A . 2 LYS CD 1 1
5 753 1 1 2 LYS CE C 7.602 -1.409 0.482 1.00 . A A . 2 LYS CE 1 1
5 754 1 1 2 LYS CG C 7.138 -0.140 -1.638 1.00 . A A . 2 LYS CG 1 1
5 755 1 1 2 LYS H H 4.587 -0.215 -1.874 1.00 . A A . 2 LYS H 1 1
5 756 1 1 2 LYS HA H 5.599 1.994 -0.567 1.00 . A A . 2 LYS HA 1 1
5 757 1 1 2 LYS HB2 H 6.505 1.037 -3.286 1.00 . A A . 2 LYS HB2 1 1
5 758 1 1 2 LYS HB3 H 7.464 1.906 -2.096 1.00 . A A . 2 LYS HB3 1 1
5 759 1 1 2 LYS HD2 H 7.474 0.709 0.288 1.00 . A A . 2 LYS HD2 1 1
5 760 1 1 2 LYS HD3 H 5.931 -0.132 0.119 1.00 . A A . 2 LYS HD3 1 1
5 761 1 1 2 LYS HE2 H 6.904 -1.832 1.188 1.00 . A A . 2 LYS HE2 1 1
5 762 1 1 2 LYS HE3 H 7.792 -2.121 -0.308 1.00 . A A . 2 LYS HE3 1 1
5 763 1 1 2 LYS HG2 H 6.548 -0.940 -2.059 1.00 . A A . 2 LYS HG2 1 1
5 764 1 1 2 LYS HG3 H 8.180 -0.290 -1.886 1.00 . A A . 2 LYS HG3 1 1
5 765 1 1 2 LYS HZ1 H 9.274 -1.979 1.596 1.00 . A A . 2 LYS HZ1 1 1
5 766 1 1 2 LYS HZ2 H 8.717 -0.420 1.945 1.00 . A A . 2 LYS HZ2 1 1
5 767 1 1 2 LYS HZ3 H 9.571 -0.713 0.515 1.00 . A A . 2 LYS HZ3 1 1
5 768 1 1 2 LYS N N 4.360 0.693 -1.583 1.00 . A A . 2 LYS N 1 1
5 769 1 1 2 LYS NZ N 8.880 -1.110 1.184 1.00 . A A . 2 LYS NZ 1 1
5 770 1 1 2 LYS O O 5.150 4.090 -1.907 1.00 . A A . 2 LYS O 1 1
5 771 1 1 3 LEU C C 2.555 4.503 -3.631 1.00 . A A . 3 LEU C 1 1
5 772 1 1 3 LEU CA C 3.761 3.844 -4.293 1.00 . A A . 3 LEU CA 1 1
5 773 1 1 3 LEU CB C 3.381 3.341 -5.687 1.00 . A A . 3 LEU CB 1 1
5 774 1 1 3 LEU CD1 C 5.794 2.726 -5.972 1.00 . A A . 3 LEU CD1 1 1
5 775 1 1 3 LEU CD2 C 4.154 2.215 -7.789 1.00 . A A . 3 LEU CD2 1 1
5 776 1 1 3 LEU CG C 4.532 3.189 -6.682 1.00 . A A . 3 LEU CG 1 1
5 777 1 1 3 LEU H H 4.116 1.823 -3.776 1.00 . A A . 3 LEU H 1 1
5 778 1 1 3 LEU HA H 4.549 4.576 -4.386 1.00 . A A . 3 LEU HA 1 1
5 779 1 1 3 LEU HB2 H 2.913 2.375 -5.573 1.00 . A A . 3 LEU HB2 1 1
5 780 1 1 3 LEU HB3 H 2.669 4.037 -6.106 1.00 . A A . 3 LEU HB3 1 1
5 781 1 1 3 LEU HD11 H 6.607 2.674 -6.680 1.00 . A A . 3 LEU HD11 1 1
5 782 1 1 3 LEU HD12 H 5.628 1.750 -5.542 1.00 . A A . 3 LEU HD12 1 1
5 783 1 1 3 LEU HD13 H 6.043 3.427 -5.188 1.00 . A A . 3 LEU HD13 1 1
5 784 1 1 3 LEU HD21 H 3.078 2.163 -7.871 1.00 . A A . 3 LEU HD21 1 1
5 785 1 1 3 LEU HD22 H 4.545 1.236 -7.556 1.00 . A A . 3 LEU HD22 1 1
5 786 1 1 3 LEU HD23 H 4.571 2.556 -8.726 1.00 . A A . 3 LEU HD23 1 1
5 787 1 1 3 LEU HG H 4.737 4.149 -7.135 1.00 . A A . 3 LEU HG 1 1
5 788 1 1 3 LEU N N 4.266 2.744 -3.479 1.00 . A A . 3 LEU N 1 1
5 789 1 1 3 LEU O O 2.162 5.612 -3.995 1.00 . A A . 3 LEU O 1 1
5 790 1 1 4 LEU C C 1.214 4.884 -0.577 1.00 . A A . 4 LEU C 1 1
5 791 1 1 4 LEU CA C 0.811 4.332 -1.941 1.00 . A A . 4 LEU CA 1 1
5 792 1 1 4 LEU CB C -0.239 3.233 -1.770 1.00 . A A . 4 LEU CB 1 1
5 793 1 1 4 LEU CD1 C -1.371 3.632 0.431 1.00 . A A . 4 LEU CD1 1 1
5 794 1 1 4 LEU CD2 C -1.977 5.028 -1.554 1.00 . A A . 4 LEU CD2 1 1
5 795 1 1 4 LEU CG C -1.539 3.649 -1.080 1.00 . A A . 4 LEU CG 1 1
5 796 1 1 4 LEU H H 2.330 2.935 -2.411 1.00 . A A . 4 LEU H 1 1
5 797 1 1 4 LEU HA H 0.390 5.133 -2.530 1.00 . A A . 4 LEU HA 1 1
5 798 1 1 4 LEU HB2 H -0.490 2.860 -2.751 1.00 . A A . 4 LEU HB2 1 1
5 799 1 1 4 LEU HB3 H 0.206 2.439 -1.187 1.00 . A A . 4 LEU HB3 1 1
5 800 1 1 4 LEU HD11 H -1.626 4.601 0.833 1.00 . A A . 4 LEU HD11 1 1
5 801 1 1 4 LEU HD12 H -0.346 3.399 0.676 1.00 . A A . 4 LEU HD12 1 1
5 802 1 1 4 LEU HD13 H -2.022 2.882 0.857 1.00 . A A . 4 LEU HD13 1 1
5 803 1 1 4 LEU HD21 H -1.597 5.203 -2.550 1.00 . A A . 4 LEU HD21 1 1
5 804 1 1 4 LEU HD22 H -1.588 5.779 -0.883 1.00 . A A . 4 LEU HD22 1 1
5 805 1 1 4 LEU HD23 H -3.056 5.079 -1.565 1.00 . A A . 4 LEU HD23 1 1
5 806 1 1 4 LEU HG H -2.317 2.944 -1.337 1.00 . A A . 4 LEU HG 1 1
5 807 1 1 4 LEU N N 1.972 3.813 -2.657 1.00 . A A . 4 LEU N 1 1
5 808 1 1 4 LEU O O 0.515 5.720 -0.004 1.00 . A A . 4 LEU O 1 1
5 809 1 1 5 SER C C 3.931 5.910 1.066 1.00 . A A . 5 SER C 1 1
5 810 1 1 5 SER CA C 2.840 4.857 1.233 1.00 . A A . 5 SER CA 1 1
5 811 1 1 5 SER CB C 3.381 3.669 2.031 1.00 . A A . 5 SER CB 1 1
5 812 1 1 5 SER H H 2.858 3.746 -0.569 1.00 . A A . 5 SER H 1 1
5 813 1 1 5 SER HA H 2.013 5.294 1.771 1.00 . A A . 5 SER HA 1 1
5 814 1 1 5 SER HB2 H 4.103 3.135 1.433 1.00 . A A . 5 SER HB2 1 1
5 815 1 1 5 SER HB3 H 3.856 4.030 2.932 1.00 . A A . 5 SER HB3 1 1
5 816 1 1 5 SER HG H 2.121 2.898 3.317 1.00 . A A . 5 SER HG 1 1
5 817 1 1 5 SER N N 2.345 4.412 -0.064 1.00 . A A . 5 SER N 1 1
5 818 1 1 5 SER O O 4.221 6.673 1.988 1.00 . A A . 5 SER O 1 1
5 819 1 1 5 SER OG O 2.339 2.779 2.390 1.00 . A A . 5 SER OG 1 1
5 820 1 1 6 LYS C C 5.124 8.332 -0.134 1.00 . A A . 6 LYS C 1 1
5 821 1 1 6 LYS CA C 5.592 6.906 -0.409 1.00 . A A . 6 LYS CA 1 1
5 822 1 1 6 LYS CB C 6.038 6.777 -1.867 1.00 . A A . 6 LYS CB 1 1
5 823 1 1 6 LYS CD C 5.807 8.891 -3.205 1.00 . A A . 6 LYS CD 1 1
5 824 1 1 6 LYS CE C 5.725 10.296 -2.628 1.00 . A A . 6 LYS CE 1 1
5 825 1 1 6 LYS CG C 6.747 8.011 -2.398 1.00 . A A . 6 LYS CG 1 1
5 826 1 1 6 LYS H H 4.259 5.312 -0.813 1.00 . A A . 6 LYS H 1 1
5 827 1 1 6 LYS HA H 6.428 6.684 0.236 1.00 . A A . 6 LYS HA 1 1
5 828 1 1 6 LYS HB2 H 6.711 5.936 -1.952 1.00 . A A . 6 LYS HB2 1 1
5 829 1 1 6 LYS HB3 H 5.169 6.595 -2.482 1.00 . A A . 6 LYS HB3 1 1
5 830 1 1 6 LYS HD2 H 6.167 8.952 -4.221 1.00 . A A . 6 LYS HD2 1 1
5 831 1 1 6 LYS HD3 H 4.820 8.450 -3.197 1.00 . A A . 6 LYS HD3 1 1
5 832 1 1 6 LYS HE2 H 4.704 10.493 -2.339 1.00 . A A . 6 LYS HE2 1 1
5 833 1 1 6 LYS HE3 H 6.362 10.350 -1.757 1.00 . A A . 6 LYS HE3 1 1
5 834 1 1 6 LYS HG2 H 7.130 8.581 -1.565 1.00 . A A . 6 LYS HG2 1 1
5 835 1 1 6 LYS HG3 H 7.566 7.700 -3.031 1.00 . A A . 6 LYS HG3 1 1
5 836 1 1 6 LYS HZ1 H 6.100 10.945 -4.577 1.00 . A A . 6 LYS HZ1 1 1
5 837 1 1 6 LYS HZ2 H 7.142 11.609 -3.422 1.00 . A A . 6 LYS HZ2 1 1
5 838 1 1 6 LYS HZ3 H 5.549 12.165 -3.543 1.00 . A A . 6 LYS HZ3 1 1
5 839 1 1 6 LYS N N 4.533 5.947 -0.118 1.00 . A A . 6 LYS N 1 1
5 840 1 1 6 LYS NZ N 6.159 11.325 -3.612 1.00 . A A . 6 LYS NZ 1 1
5 841 1 1 6 LYS O O 5.931 9.213 0.161 1.00 . A A . 6 LYS O 1 1
5 842 1 1 7 ALA C C 3.416 10.283 1.468 1.00 . A A . 7 ALA C 1 1
5 843 1 1 7 ALA CA C 3.243 9.868 0.011 1.00 . A A . 7 ALA CA 1 1
5 844 1 1 7 ALA CB C 1.770 9.880 -0.371 1.00 . A A . 7 ALA CB 1 1
5 845 1 1 7 ALA H H 3.225 7.807 -0.469 1.00 . A A . 7 ALA H 1 1
5 846 1 1 7 ALA HA H 3.759 10.578 -0.619 1.00 . A A . 7 ALA HA 1 1
5 847 1 1 7 ALA HB1 H 1.662 9.548 -1.394 1.00 . A A . 7 ALA HB1 1 1
5 848 1 1 7 ALA HB2 H 1.223 9.217 0.283 1.00 . A A . 7 ALA HB2 1 1
5 849 1 1 7 ALA HB3 H 1.382 10.883 -0.275 1.00 . A A . 7 ALA HB3 1 1
5 850 1 1 7 ALA N N 3.817 8.550 -0.231 1.00 . A A . 7 ALA N 1 1
5 851 1 1 7 ALA O O 3.338 11.466 1.799 1.00 . A A . 7 ALA O 1 1
5 852 1 1 8 GLN C C 5.201 9.086 4.229 1.00 . A A . 8 GLN C 1 1
5 853 1 1 8 GLN CA C 3.834 9.568 3.756 1.00 . A A . 8 GLN CA 1 1
5 854 1 1 8 GLN CB C 2.731 8.887 4.569 1.00 . A A . 8 GLN CB 1 1
5 855 1 1 8 GLN CD C 1.682 6.693 5.253 1.00 . A A . 8 GLN CD 1 1
5 856 1 1 8 GLN CG C 2.561 7.411 4.249 1.00 . A A . 8 GLN CG 1 1
5 857 1 1 8 GLN H H 3.702 8.380 2.010 1.00 . A A . 8 GLN H 1 1
5 858 1 1 8 GLN HA H 3.771 10.635 3.905 1.00 . A A . 8 GLN HA 1 1
5 859 1 1 8 GLN HB2 H 2.964 8.981 5.619 1.00 . A A . 8 GLN HB2 1 1
5 860 1 1 8 GLN HB3 H 1.794 9.386 4.371 1.00 . A A . 8 GLN HB3 1 1
5 861 1 1 8 GLN HE21 H 1.939 4.975 4.286 1.00 . A A . 8 GLN HE21 1 1
5 862 1 1 8 GLN HE22 H 0.937 4.903 5.692 1.00 . A A . 8 GLN HE22 1 1
5 863 1 1 8 GLN HG2 H 2.114 7.317 3.270 1.00 . A A . 8 GLN HG2 1 1
5 864 1 1 8 GLN HG3 H 3.535 6.943 4.244 1.00 . A A . 8 GLN HG3 1 1
5 865 1 1 8 GLN N N 3.651 9.303 2.334 1.00 . A A . 8 GLN N 1 1
5 866 1 1 8 GLN NE2 N 1.500 5.392 5.057 1.00 . A A . 8 GLN NE2 1 1
5 867 1 1 8 GLN O O 5.588 9.314 5.374 1.00 . A A . 8 GLN O 1 1
5 868 1 1 8 GLN OE1 O 1.171 7.300 6.195 1.00 . A A . 8 GLN OE1 1 1
5 869 1 1 9 GLU C C 8.343 8.781 3.060 1.00 . A A . 9 GLU C 1 1
5 870 1 1 9 GLU CA C 7.252 7.902 3.666 1.00 . A A . 9 GLU CA 1 1
5 871 1 1 9 GLU CB C 7.403 6.464 3.163 1.00 . A A . 9 GLU CB 1 1
5 872 1 1 9 GLU CD C 9.091 4.619 3.514 1.00 . A A . 9 GLU CD 1 1
5 873 1 1 9 GLU CG C 8.074 5.538 4.163 1.00 . A A . 9 GLU CG 1 1
5 874 1 1 9 GLU H H 5.564 8.267 2.440 1.00 . A A . 9 GLU H 1 1
5 875 1 1 9 GLU HA H 7.354 7.910 4.740 1.00 . A A . 9 GLU HA 1 1
5 876 1 1 9 GLU HB2 H 6.423 6.069 2.939 1.00 . A A . 9 GLU HB2 1 1
5 877 1 1 9 GLU HB3 H 7.993 6.472 2.259 1.00 . A A . 9 GLU HB3 1 1
5 878 1 1 9 GLU HG2 H 8.577 6.136 4.908 1.00 . A A . 9 GLU HG2 1 1
5 879 1 1 9 GLU HG3 H 7.317 4.933 4.639 1.00 . A A . 9 GLU HG3 1 1
5 880 1 1 9 GLU N N 5.928 8.417 3.338 1.00 . A A . 9 GLU N 1 1
5 881 1 1 9 GLU O O 9.457 8.852 3.578 1.00 . A A . 9 GLU O 1 1
5 882 1 1 9 GLU OE1 O 8.878 4.225 2.348 1.00 . A A . 9 GLU OE1 1 1
5 883 1 1 9 GLU OE2 O 10.101 4.293 4.173 1.00 . A A . 9 GLU OE2 1 1
5 884 1 1 10 LYS C C 10.263 9.586 0.979 1.00 . A A . 10 LYS C 1 1
5 885 1 1 10 LYS CA C 8.963 10.324 1.283 1.00 . A A . 10 LYS CA 1 1
5 886 1 1 10 LYS CB C 9.252 11.557 2.141 1.00 . A A . 10 LYS CB 1 1
5 887 1 1 10 LYS CD C 7.633 13.040 0.921 1.00 . A A . 10 LYS CD 1 1
5 888 1 1 10 LYS CE C 7.537 14.558 0.933 1.00 . A A . 10 LYS CE 1 1
5 889 1 1 10 LYS CG C 8.067 12.499 2.272 1.00 . A A . 10 LYS CG 1 1
5 890 1 1 10 LYS H H 7.109 9.351 1.594 1.00 . A A . 10 LYS H 1 1
5 891 1 1 10 LYS HA H 8.517 10.640 0.352 1.00 . A A . 10 LYS HA 1 1
5 892 1 1 10 LYS HB2 H 9.540 11.233 3.130 1.00 . A A . 10 LYS HB2 1 1
5 893 1 1 10 LYS HB3 H 10.072 12.104 1.698 1.00 . A A . 10 LYS HB3 1 1
5 894 1 1 10 LYS HD2 H 8.354 12.743 0.174 1.00 . A A . 10 LYS HD2 1 1
5 895 1 1 10 LYS HD3 H 6.665 12.629 0.672 1.00 . A A . 10 LYS HD3 1 1
5 896 1 1 10 LYS HE2 H 6.888 14.871 0.129 1.00 . A A . 10 LYS HE2 1 1
5 897 1 1 10 LYS HE3 H 7.116 14.871 1.877 1.00 . A A . 10 LYS HE3 1 1
5 898 1 1 10 LYS HG2 H 7.241 11.963 2.716 1.00 . A A . 10 LYS HG2 1 1
5 899 1 1 10 LYS HG3 H 8.346 13.326 2.909 1.00 . A A . 10 LYS HG3 1 1
5 900 1 1 10 LYS HZ1 H 8.815 16.208 1.007 1.00 . A A . 10 LYS HZ1 1 1
5 901 1 1 10 LYS HZ2 H 9.182 15.112 -0.229 1.00 . A A . 10 LYS HZ2 1 1
5 902 1 1 10 LYS HZ3 H 9.570 14.740 1.375 1.00 . A A . 10 LYS HZ3 1 1
5 903 1 1 10 LYS N N 8.013 9.448 1.960 1.00 . A A . 10 LYS N 1 1
5 904 1 1 10 LYS NZ N 8.869 15.200 0.760 1.00 . A A . 10 LYS NZ 1 1
5 905 1 1 10 LYS O O 11.217 10.173 0.471 1.00 . A A . 10 LYS O 1 1
6 906 1 1 1 TRP C C 2.914 1.026 -1.420 1.00 . A A . 1 TRP C 1 1
6 907 1 1 1 TRP CA C 1.896 -0.108 -1.470 1.00 . A A . 1 TRP CA 1 1
6 908 1 1 1 TRP CB C 0.991 0.055 -2.692 1.00 . A A . 1 TRP CB 1 1
6 909 1 1 1 TRP CD1 C 2.841 -0.953 -4.151 1.00 . A A . 1 TRP CD1 1 1
6 910 1 1 1 TRP CD2 C 1.253 0.133 -5.298 1.00 . A A . 1 TRP CD2 1 1
6 911 1 1 1 TRP CE2 C 2.202 -0.369 -6.210 1.00 . A A . 1 TRP CE2 1 1
6 912 1 1 1 TRP CE3 C 0.160 0.852 -5.790 1.00 . A A . 1 TRP CE3 1 1
6 913 1 1 1 TRP CG C 1.680 -0.252 -3.987 1.00 . A A . 1 TRP CG 1 1
6 914 1 1 1 TRP CH2 C 1.009 0.534 -8.038 1.00 . A A . 1 TRP CH2 1 1
6 915 1 1 1 TRP CZ2 C 2.089 -0.173 -7.583 1.00 . A A . 1 TRP CZ2 1 1
6 916 1 1 1 TRP CZ3 C 0.050 1.046 -7.154 1.00 . A A . 1 TRP CZ3 1 1
6 917 1 1 1 TRP H1 H 1.550 -0.215 0.617 1.00 . A A . 1 TRP H1 1 1
6 918 1 1 1 TRP HA H 2.424 -1.047 -1.547 1.00 . A A . 1 TRP HA 1 1
6 919 1 1 1 TRP HB2 H 0.146 -0.610 -2.598 1.00 . A A . 1 TRP HB2 1 1
6 920 1 1 1 TRP HB3 H 0.638 1.076 -2.735 1.00 . A A . 1 TRP HB3 1 1
6 921 1 1 1 TRP HD1 H 3.413 -1.379 -3.342 1.00 . A A . 1 TRP HD1 1 1
6 922 1 1 1 TRP HE1 H 3.947 -1.478 -5.858 1.00 . A A . 1 TRP HE1 1 1
6 923 1 1 1 TRP HE3 H -0.590 1.254 -5.125 1.00 . A A . 1 TRP HE3 1 1
6 924 1 1 1 TRP HH2 H 0.883 0.710 -9.095 1.00 . A A . 1 TRP HH2 1 1
6 925 1 1 1 TRP HZ2 H 2.820 -0.561 -8.278 1.00 . A A . 1 TRP HZ2 1 1
6 926 1 1 1 TRP HZ3 H -0.788 1.599 -7.553 1.00 . A A . 1 TRP HZ3 1 1
6 927 1 1 1 TRP N N 1.097 -0.144 -0.250 1.00 . A A . 1 TRP N 1 1
6 928 1 1 1 TRP NE1 N 3.160 -1.026 -5.485 1.00 . A A . 1 TRP NE1 1 1
6 929 1 1 1 TRP O O 2.596 2.142 -1.009 1.00 . A A . 1 TRP O 1 1
6 930 1 1 2 LYS C C 4.755 3.004 -2.554 1.00 . A A . 2 LYS C 1 1
6 931 1 1 2 LYS CA C 5.205 1.729 -1.847 1.00 . A A . 2 LYS CA 1 1
6 932 1 1 2 LYS CB C 6.452 1.167 -2.533 1.00 . A A . 2 LYS CB 1 1
6 933 1 1 2 LYS CD C 6.776 -0.284 -0.508 1.00 . A A . 2 LYS CD 1 1
6 934 1 1 2 LYS CE C 7.336 -1.599 0.013 1.00 . A A . 2 LYS CE 1 1
6 935 1 1 2 LYS CG C 6.861 -0.204 -2.023 1.00 . A A . 2 LYS CG 1 1
6 936 1 1 2 LYS H H 4.332 -0.174 -2.159 1.00 . A A . 2 LYS H 1 1
6 937 1 1 2 LYS HA H 5.443 1.965 -0.822 1.00 . A A . 2 LYS HA 1 1
6 938 1 1 2 LYS HB2 H 6.263 1.092 -3.593 1.00 . A A . 2 LYS HB2 1 1
6 939 1 1 2 LYS HB3 H 7.275 1.848 -2.370 1.00 . A A . 2 LYS HB3 1 1
6 940 1 1 2 LYS HD2 H 7.342 0.530 -0.081 1.00 . A A . 2 LYS HD2 1 1
6 941 1 1 2 LYS HD3 H 5.740 -0.200 -0.209 1.00 . A A . 2 LYS HD3 1 1
6 942 1 1 2 LYS HE2 H 6.534 -2.320 0.068 1.00 . A A . 2 LYS HE2 1 1
6 943 1 1 2 LYS HE3 H 8.090 -1.951 -0.675 1.00 . A A . 2 LYS HE3 1 1
6 944 1 1 2 LYS HG2 H 6.203 -0.947 -2.449 1.00 . A A . 2 LYS HG2 1 1
6 945 1 1 2 LYS HG3 H 7.878 -0.404 -2.328 1.00 . A A . 2 LYS HG3 1 1
6 946 1 1 2 LYS HZ1 H 7.292 -0.937 1.994 1.00 . A A . 2 LYS HZ1 1 1
6 947 1 1 2 LYS HZ2 H 8.833 -0.911 1.296 1.00 . A A . 2 LYS HZ2 1 1
6 948 1 1 2 LYS HZ3 H 8.146 -2.381 1.773 1.00 . A A . 2 LYS HZ3 1 1
6 949 1 1 2 LYS N N 4.139 0.734 -1.842 1.00 . A A . 2 LYS N 1 1
6 950 1 1 2 LYS NZ N 7.944 -1.446 1.364 1.00 . A A . 2 LYS NZ 1 1
6 951 1 1 2 LYS O O 4.947 4.109 -2.045 1.00 . A A . 2 LYS O 1 1
6 952 1 1 3 LEU C C 2.548 4.704 -3.771 1.00 . A A . 3 LEU C 1 1
6 953 1 1 3 LEU CA C 3.674 3.982 -4.503 1.00 . A A . 3 LEU CA 1 1
6 954 1 1 3 LEU CB C 3.190 3.520 -5.879 1.00 . A A . 3 LEU CB 1 1
6 955 1 1 3 LEU CD1 C 5.574 2.872 -6.300 1.00 . A A . 3 LEU CD1 1 1
6 956 1 1 3 LEU CD2 C 3.815 2.324 -7.991 1.00 . A A . 3 LEU CD2 1 1
6 957 1 1 3 LEU CG C 4.272 3.325 -6.941 1.00 . A A . 3 LEU CG 1 1
6 958 1 1 3 LEU H H 4.028 1.939 -4.082 1.00 . A A . 3 LEU H 1 1
6 959 1 1 3 LEU HA H 4.500 4.666 -4.633 1.00 . A A . 3 LEU HA 1 1
6 960 1 1 3 LEU HB2 H 2.680 2.577 -5.750 1.00 . A A . 3 LEU HB2 1 1
6 961 1 1 3 LEU HB3 H 2.491 4.257 -6.247 1.00 . A A . 3 LEU HB3 1 1
6 962 1 1 3 LEU HD11 H 6.330 2.757 -7.062 1.00 . A A . 3 LEU HD11 1 1
6 963 1 1 3 LEU HD12 H 5.419 1.926 -5.801 1.00 . A A . 3 LEU HD12 1 1
6 964 1 1 3 LEU HD13 H 5.897 3.609 -5.580 1.00 . A A . 3 LEU HD13 1 1
6 965 1 1 3 LEU HD21 H 4.199 2.614 -8.957 1.00 . A A . 3 LEU HD21 1 1
6 966 1 1 3 LEU HD22 H 2.735 2.304 -8.024 1.00 . A A . 3 LEU HD22 1 1
6 967 1 1 3 LEU HD23 H 4.184 1.341 -7.736 1.00 . A A . 3 LEU HD23 1 1
6 968 1 1 3 LEU HG H 4.455 4.269 -7.436 1.00 . A A . 3 LEU HG 1 1
6 969 1 1 3 LEU N N 4.153 2.844 -3.727 1.00 . A A . 3 LEU N 1 1
6 970 1 1 3 LEU O O 2.233 5.856 -4.075 1.00 . A A . 3 LEU O 1 1
6 971 1 1 4 LEU C C 1.357 5.109 -0.678 1.00 . A A . 4 LEU C 1 1
6 972 1 1 4 LEU CA C 0.854 4.599 -2.025 1.00 . A A . 4 LEU CA 1 1
6 973 1 1 4 LEU CB C -0.250 3.563 -1.812 1.00 . A A . 4 LEU CB 1 1
6 974 1 1 4 LEU CD1 C -2.556 3.139 -0.926 1.00 . A A . 4 LEU CD1 1 1
6 975 1 1 4 LEU CD2 C -0.650 3.458 0.661 1.00 . A A . 4 LEU CD2 1 1
6 976 1 1 4 LEU CG C -1.239 3.859 -0.684 1.00 . A A . 4 LEU CG 1 1
6 977 1 1 4 LEU H H 2.240 3.109 -2.607 1.00 . A A . 4 LEU H 1 1
6 978 1 1 4 LEU HA H 0.453 5.431 -2.584 1.00 . A A . 4 LEU HA 1 1
6 979 1 1 4 LEU HB2 H -0.811 3.483 -2.730 1.00 . A A . 4 LEU HB2 1 1
6 980 1 1 4 LEU HB3 H 0.224 2.615 -1.598 1.00 . A A . 4 LEU HB3 1 1
6 981 1 1 4 LEU HD11 H -3.172 3.208 -0.042 1.00 . A A . 4 LEU HD11 1 1
6 982 1 1 4 LEU HD12 H -2.363 2.100 -1.150 1.00 . A A . 4 LEU HD12 1 1
6 983 1 1 4 LEU HD13 H -3.069 3.597 -1.760 1.00 . A A . 4 LEU HD13 1 1
6 984 1 1 4 LEU HD21 H -0.137 4.303 1.096 1.00 . A A . 4 LEU HD21 1 1
6 985 1 1 4 LEU HD22 H 0.049 2.646 0.520 1.00 . A A . 4 LEU HD22 1 1
6 986 1 1 4 LEU HD23 H -1.443 3.138 1.321 1.00 . A A . 4 LEU HD23 1 1
6 987 1 1 4 LEU HG H -1.440 4.921 -0.659 1.00 . A A . 4 LEU HG 1 1
6 988 1 1 4 LEU N N 1.945 4.022 -2.804 1.00 . A A . 4 LEU N 1 1
6 989 1 1 4 LEU O O 0.773 6.019 -0.091 1.00 . A A . 4 LEU O 1 1
6 990 1 1 5 SER C C 4.020 6.052 0.900 1.00 . A A . 5 SER C 1 1
6 991 1 1 5 SER CA C 3.025 4.909 1.083 1.00 . A A . 5 SER CA 1 1
6 992 1 1 5 SER CB C 3.719 3.715 1.741 1.00 . A A . 5 SER CB 1 1
6 993 1 1 5 SER H H 2.865 3.796 -0.711 1.00 . A A . 5 SER H 1 1
6 994 1 1 5 SER HA H 2.223 5.246 1.722 1.00 . A A . 5 SER HA 1 1
6 995 1 1 5 SER HB2 H 4.452 3.308 1.061 1.00 . A A . 5 SER HB2 1 1
6 996 1 1 5 SER HB3 H 4.209 4.041 2.646 1.00 . A A . 5 SER HB3 1 1
6 997 1 1 5 SER HG H 3.181 2.089 2.693 1.00 . A A . 5 SER HG 1 1
6 998 1 1 5 SER N N 2.445 4.517 -0.196 1.00 . A A . 5 SER N 1 1
6 999 1 1 5 SER O O 4.269 6.828 1.822 1.00 . A A . 5 SER O 1 1
6 1000 1 1 5 SER OG O 2.785 2.699 2.067 1.00 . A A . 5 SER OG 1 1
6 1001 1 1 6 LYS C C 4.978 8.574 -0.303 1.00 . A A . 6 LYS C 1 1
6 1002 1 1 6 LYS CA C 5.554 7.194 -0.606 1.00 . A A . 6 LYS CA 1 1
6 1003 1 1 6 LYS CB C 5.971 7.116 -2.076 1.00 . A A . 6 LYS CB 1 1
6 1004 1 1 6 LYS CD C 8.018 5.811 -2.723 1.00 . A A . 6 LYS CD 1 1
6 1005 1 1 6 LYS CE C 9.433 5.588 -2.212 1.00 . A A . 6 LYS CE 1 1
6 1006 1 1 6 LYS CG C 7.475 7.161 -2.285 1.00 . A A . 6 LYS CG 1 1
6 1007 1 1 6 LYS H H 4.348 5.498 -0.993 1.00 . A A . 6 LYS H 1 1
6 1008 1 1 6 LYS HA H 6.423 7.036 0.015 1.00 . A A . 6 LYS HA 1 1
6 1009 1 1 6 LYS HB2 H 5.598 6.193 -2.495 1.00 . A A . 6 LYS HB2 1 1
6 1010 1 1 6 LYS HB3 H 5.530 7.947 -2.608 1.00 . A A . 6 LYS HB3 1 1
6 1011 1 1 6 LYS HD2 H 7.380 5.033 -2.332 1.00 . A A . 6 LYS HD2 1 1
6 1012 1 1 6 LYS HD3 H 8.023 5.768 -3.803 1.00 . A A . 6 LYS HD3 1 1
6 1013 1 1 6 LYS HE2 H 9.911 6.547 -2.084 1.00 . A A . 6 LYS HE2 1 1
6 1014 1 1 6 LYS HE3 H 9.383 5.081 -1.260 1.00 . A A . 6 LYS HE3 1 1
6 1015 1 1 6 LYS HG2 H 7.701 7.892 -3.047 1.00 . A A . 6 LYS HG2 1 1
6 1016 1 1 6 LYS HG3 H 7.950 7.447 -1.357 1.00 . A A . 6 LYS HG3 1 1
6 1017 1 1 6 LYS HZ1 H 10.576 5.356 -3.946 1.00 . A A . 6 LYS HZ1 1 1
6 1018 1 1 6 LYS HZ2 H 9.662 3.991 -3.539 1.00 . A A . 6 LYS HZ2 1 1
6 1019 1 1 6 LYS HZ3 H 11.063 4.362 -2.666 1.00 . A A . 6 LYS HZ3 1 1
6 1020 1 1 6 LYS N N 4.587 6.148 -0.298 1.00 . A A . 6 LYS N 1 1
6 1021 1 1 6 LYS NZ N 10.240 4.767 -3.157 1.00 . A A . 6 LYS NZ 1 1
6 1022 1 1 6 LYS O O 5.718 9.538 -0.110 1.00 . A A . 6 LYS O 1 1
6 1023 1 1 7 ALA C C 3.250 10.380 1.451 1.00 . A A . 7 ALA C 1 1
6 1024 1 1 7 ALA CA C 2.977 9.920 0.023 1.00 . A A . 7 ALA CA 1 1
6 1025 1 1 7 ALA CB C 1.480 9.782 -0.212 1.00 . A A . 7 ALA CB 1 1
6 1026 1 1 7 ALA H H 3.116 7.856 -0.422 1.00 . A A . 7 ALA H 1 1
6 1027 1 1 7 ALA HA H 3.357 10.664 -0.663 1.00 . A A . 7 ALA HA 1 1
6 1028 1 1 7 ALA HB1 H 0.947 10.404 0.492 1.00 . A A . 7 ALA HB1 1 1
6 1029 1 1 7 ALA HB2 H 1.244 10.093 -1.219 1.00 . A A . 7 ALA HB2 1 1
6 1030 1 1 7 ALA HB3 H 1.189 8.752 -0.076 1.00 . A A . 7 ALA HB3 1 1
6 1031 1 1 7 ALA N N 3.652 8.660 -0.260 1.00 . A A . 7 ALA N 1 1
6 1032 1 1 7 ALA O O 3.148 11.567 1.760 1.00 . A A . 7 ALA O 1 1
6 1033 1 1 8 GLN C C 5.359 9.533 4.026 1.00 . A A . 8 GLN C 1 1
6 1034 1 1 8 GLN CA C 3.881 9.742 3.713 1.00 . A A . 8 GLN CA 1 1
6 1035 1 1 8 GLN CB C 3.024 8.873 4.635 1.00 . A A . 8 GLN CB 1 1
6 1036 1 1 8 GLN CD C 0.778 7.795 5.055 1.00 . A A . 8 GLN CD 1 1
6 1037 1 1 8 GLN CG C 1.595 8.697 4.150 1.00 . A A . 8 GLN CG 1 1
6 1038 1 1 8 GLN H H 3.660 8.505 2.010 1.00 . A A . 8 GLN H 1 1
6 1039 1 1 8 GLN HA H 3.634 10.780 3.880 1.00 . A A . 8 GLN HA 1 1
6 1040 1 1 8 GLN HB2 H 3.478 7.896 4.714 1.00 . A A . 8 GLN HB2 1 1
6 1041 1 1 8 GLN HB3 H 2.996 9.328 5.615 1.00 . A A . 8 GLN HB3 1 1
6 1042 1 1 8 GLN HE21 H 0.167 9.366 6.110 1.00 . A A . 8 GLN HE21 1 1
6 1043 1 1 8 GLN HE22 H -0.434 7.832 6.630 1.00 . A A . 8 GLN HE22 1 1
6 1044 1 1 8 GLN HG2 H 1.119 9.666 4.110 1.00 . A A . 8 GLN HG2 1 1
6 1045 1 1 8 GLN HG3 H 1.615 8.266 3.160 1.00 . A A . 8 GLN HG3 1 1
6 1046 1 1 8 GLN N N 3.596 9.433 2.317 1.00 . A A . 8 GLN N 1 1
6 1047 1 1 8 GLN NE2 N 0.102 8.390 6.031 1.00 . A A . 8 GLN NE2 1 1
6 1048 1 1 8 GLN O O 5.812 9.805 5.137 1.00 . A A . 8 GLN O 1 1
6 1049 1 1 8 GLN OE1 O 0.755 6.576 4.880 1.00 . A A . 8 GLN OE1 1 1
6 1050 1 1 9 GLU C C 8.355 9.956 2.650 1.00 . A A . 9 GLU C 1 1
6 1051 1 1 9 GLU CA C 7.532 8.800 3.210 1.00 . A A . 9 GLU CA 1 1
6 1052 1 1 9 GLU CB C 7.932 7.493 2.521 1.00 . A A . 9 GLU CB 1 1
6 1053 1 1 9 GLU CD C 9.800 5.849 2.090 1.00 . A A . 9 GLU CD 1 1
6 1054 1 1 9 GLU CG C 9.263 6.936 2.999 1.00 . A A . 9 GLU CG 1 1
6 1055 1 1 9 GLU H H 5.686 8.849 2.175 1.00 . A A . 9 GLU H 1 1
6 1056 1 1 9 GLU HA H 7.728 8.713 4.268 1.00 . A A . 9 GLU HA 1 1
6 1057 1 1 9 GLU HB2 H 7.168 6.754 2.706 1.00 . A A . 9 GLU HB2 1 1
6 1058 1 1 9 GLU HB3 H 8.001 7.668 1.457 1.00 . A A . 9 GLU HB3 1 1
6 1059 1 1 9 GLU HG2 H 9.982 7.740 3.037 1.00 . A A . 9 GLU HG2 1 1
6 1060 1 1 9 GLU HG3 H 9.131 6.525 3.989 1.00 . A A . 9 GLU HG3 1 1
6 1061 1 1 9 GLU N N 6.105 9.046 3.038 1.00 . A A . 9 GLU N 1 1
6 1062 1 1 9 GLU O O 9.443 10.255 3.143 1.00 . A A . 9 GLU O 1 1
6 1063 1 1 9 GLU OE1 O 10.269 6.182 0.981 1.00 . A A . 9 GLU OE1 1 1
6 1064 1 1 9 GLU OE2 O 9.752 4.666 2.486 1.00 . A A . 9 GLU OE2 1 1
6 1065 1 1 10 LYS C C 9.905 11.323 0.516 1.00 . A A . 10 LYS C 1 1
6 1066 1 1 10 LYS CA C 8.512 11.728 0.988 1.00 . A A . 10 LYS CA 1 1
6 1067 1 1 10 LYS CB C 8.614 12.900 1.966 1.00 . A A . 10 LYS CB 1 1
6 1068 1 1 10 LYS CD C 6.418 14.117 1.888 1.00 . A A . 10 LYS CD 1 1
6 1069 1 1 10 LYS CE C 6.053 15.294 2.779 1.00 . A A . 10 LYS CE 1 1
6 1070 1 1 10 LYS CG C 7.886 14.148 1.497 1.00 . A A . 10 LYS CG 1 1
6 1071 1 1 10 LYS H H 6.957 10.318 1.267 1.00 . A A . 10 LYS H 1 1
6 1072 1 1 10 LYS HA H 7.930 12.033 0.132 1.00 . A A . 10 LYS HA 1 1
6 1073 1 1 10 LYS HB2 H 8.195 12.599 2.915 1.00 . A A . 10 LYS HB2 1 1
6 1074 1 1 10 LYS HB3 H 9.656 13.148 2.104 1.00 . A A . 10 LYS HB3 1 1
6 1075 1 1 10 LYS HD2 H 5.815 14.158 0.993 1.00 . A A . 10 LYS HD2 1 1
6 1076 1 1 10 LYS HD3 H 6.215 13.198 2.419 1.00 . A A . 10 LYS HD3 1 1
6 1077 1 1 10 LYS HE2 H 6.226 16.209 2.233 1.00 . A A . 10 LYS HE2 1 1
6 1078 1 1 10 LYS HE3 H 5.007 15.222 3.038 1.00 . A A . 10 LYS HE3 1 1
6 1079 1 1 10 LYS HG2 H 8.348 15.014 1.946 1.00 . A A . 10 LYS HG2 1 1
6 1080 1 1 10 LYS HG3 H 7.961 14.215 0.421 1.00 . A A . 10 LYS HG3 1 1
6 1081 1 1 10 LYS HZ1 H 6.243 15.210 4.858 1.00 . A A . 10 LYS HZ1 1 1
6 1082 1 1 10 LYS HZ2 H 7.377 16.215 4.106 1.00 . A A . 10 LYS HZ2 1 1
6 1083 1 1 10 LYS HZ3 H 7.550 14.535 4.023 1.00 . A A . 10 LYS HZ3 1 1
6 1084 1 1 10 LYS N N 7.828 10.603 1.616 1.00 . A A . 10 LYS N 1 1
6 1085 1 1 10 LYS NZ N 6.862 15.315 4.029 1.00 . A A . 10 LYS NZ 1 1
6 1086 1 1 10 LYS O O 10.756 12.175 0.260 1.00 . A A . 10 LYS O 1 1
7 1087 1 1 1 TRP C C 3.600 1.316 -0.918 1.00 . A A . 1 TRP C 1 1
7 1088 1 1 1 TRP CA C 2.834 -0.002 -0.945 1.00 . A A . 1 TRP CA 1 1
7 1089 1 1 1 TRP CB C 1.987 -0.087 -2.216 1.00 . A A . 1 TRP CB 1 1
7 1090 1 1 1 TRP CD1 C 4.084 -0.753 -3.531 1.00 . A A . 1 TRP CD1 1 1
7 1091 1 1 1 TRP CD2 C 2.382 -0.050 -4.806 1.00 . A A . 1 TRP CD2 1 1
7 1092 1 1 1 TRP CE2 C 3.464 -0.382 -5.644 1.00 . A A . 1 TRP CE2 1 1
7 1093 1 1 1 TRP CE3 C 1.199 0.415 -5.386 1.00 . A A . 1 TRP CE3 1 1
7 1094 1 1 1 TRP CG C 2.799 -0.295 -3.459 1.00 . A A . 1 TRP CG 1 1
7 1095 1 1 1 TRP CH2 C 2.226 0.196 -7.571 1.00 . A A . 1 TRP CH2 1 1
7 1096 1 1 1 TRP CZ2 C 3.397 -0.262 -7.030 1.00 . A A . 1 TRP CZ2 1 1
7 1097 1 1 1 TRP CZ3 C 1.134 0.535 -6.761 1.00 . A A . 1 TRP CZ3 1 1
7 1098 1 1 1 TRP H1 H 2.397 -0.068 1.125 1.00 . A A . 1 TRP H1 1 1
7 1099 1 1 1 TRP HA H 3.543 -0.817 -0.941 1.00 . A A . 1 TRP HA 1 1
7 1100 1 1 1 TRP HB2 H 1.298 -0.914 -2.127 1.00 . A A . 1 TRP HB2 1 1
7 1101 1 1 1 TRP HB3 H 1.430 0.831 -2.331 1.00 . A A . 1 TRP HB3 1 1
7 1102 1 1 1 TRP HD1 H 4.681 -1.026 -2.675 1.00 . A A . 1 TRP HD1 1 1
7 1103 1 1 1 TRP HE1 H 5.372 -1.105 -5.153 1.00 . A A . 1 TRP HE1 1 1
7 1104 1 1 1 TRP HE3 H 0.346 0.681 -4.779 1.00 . A A . 1 TRP HE3 1 1
7 1105 1 1 1 TRP HH2 H 2.131 0.306 -8.640 1.00 . A A . 1 TRP HH2 1 1
7 1106 1 1 1 TRP HZ2 H 4.230 -0.519 -7.667 1.00 . A A . 1 TRP HZ2 1 1
7 1107 1 1 1 TRP HZ3 H 0.228 0.893 -7.228 1.00 . A A . 1 TRP HZ3 1 1
7 1108 1 1 1 TRP N N 1.990 -0.138 0.236 1.00 . A A . 1 TRP N 1 1
7 1109 1 1 1 TRP NE1 N 4.490 -0.808 -4.843 1.00 . A A . 1 TRP NE1 1 1
7 1110 1 1 1 TRP O O 3.046 2.361 -0.578 1.00 . A A . 1 TRP O 1 1
7 1111 1 1 2 LYS C C 5.061 3.572 -2.094 1.00 . A A . 2 LYS C 1 1
7 1112 1 1 2 LYS CA C 5.721 2.450 -1.297 1.00 . A A . 2 LYS CA 1 1
7 1113 1 1 2 LYS CB C 7.090 2.122 -1.897 1.00 . A A . 2 LYS CB 1 1
7 1114 1 1 2 LYS CD C 7.576 0.907 0.247 1.00 . A A . 2 LYS CD 1 1
7 1115 1 1 2 LYS CE C 8.385 -0.202 0.901 1.00 . A A . 2 LYS CE 1 1
7 1116 1 1 2 LYS CG C 7.758 0.915 -1.261 1.00 . A A . 2 LYS CG 1 1
7 1117 1 1 2 LYS H H 5.264 0.398 -1.540 1.00 . A A . 2 LYS H 1 1
7 1118 1 1 2 LYS HA H 5.853 2.779 -0.278 1.00 . A A . 2 LYS HA 1 1
7 1119 1 1 2 LYS HB2 H 6.970 1.926 -2.952 1.00 . A A . 2 LYS HB2 1 1
7 1120 1 1 2 LYS HB3 H 7.739 2.976 -1.770 1.00 . A A . 2 LYS HB3 1 1
7 1121 1 1 2 LYS HD2 H 7.901 1.857 0.646 1.00 . A A . 2 LYS HD2 1 1
7 1122 1 1 2 LYS HD3 H 6.529 0.759 0.474 1.00 . A A . 2 LYS HD3 1 1
7 1123 1 1 2 LYS HE2 H 9.383 -0.192 0.490 1.00 . A A . 2 LYS HE2 1 1
7 1124 1 1 2 LYS HE3 H 8.432 -0.018 1.964 1.00 . A A . 2 LYS HE3 1 1
7 1125 1 1 2 LYS HG2 H 7.323 0.016 -1.670 1.00 . A A . 2 LYS HG2 1 1
7 1126 1 1 2 LYS HG3 H 8.815 0.941 -1.486 1.00 . A A . 2 LYS HG3 1 1
7 1127 1 1 2 LYS HZ1 H 7.984 -2.172 1.470 1.00 . A A . 2 LYS HZ1 1 1
7 1128 1 1 2 LYS HZ2 H 8.168 -1.964 -0.199 1.00 . A A . 2 LYS HZ2 1 1
7 1129 1 1 2 LYS HZ3 H 6.748 -1.455 0.564 1.00 . A A . 2 LYS HZ3 1 1
7 1130 1 1 2 LYS N N 4.878 1.261 -1.279 1.00 . A A . 2 LYS N 1 1
7 1131 1 1 2 LYS NZ N 7.779 -1.542 0.668 1.00 . A A . 2 LYS NZ 1 1
7 1132 1 1 2 LYS O O 5.081 4.733 -1.683 1.00 . A A . 2 LYS O 1 1
7 1133 1 1 3 LEU C C 2.494 4.652 -3.465 1.00 . A A . 3 LEU C 1 1
7 1134 1 1 3 LEU CA C 3.810 4.194 -4.087 1.00 . A A . 3 LEU CA 1 1
7 1135 1 1 3 LEU CB C 3.552 3.599 -5.472 1.00 . A A . 3 LEU CB 1 1
7 1136 1 1 3 LEU CD1 C 6.040 3.398 -5.698 1.00 . A A . 3 LEU CD1 1 1
7 1137 1 1 3 LEU CD2 C 4.551 2.572 -7.529 1.00 . A A . 3 LEU CD2 1 1
7 1138 1 1 3 LEU CG C 4.733 3.621 -6.442 1.00 . A A . 3 LEU CG 1 1
7 1139 1 1 3 LEU H H 4.494 2.278 -3.508 1.00 . A A . 3 LEU H 1 1
7 1140 1 1 3 LEU HA H 4.463 5.048 -4.187 1.00 . A A . 3 LEU HA 1 1
7 1141 1 1 3 LEU HB2 H 3.253 2.571 -5.339 1.00 . A A . 3 LEU HB2 1 1
7 1142 1 1 3 LEU HB3 H 2.741 4.153 -5.923 1.00 . A A . 3 LEU HB3 1 1
7 1143 1 1 3 LEU HD11 H 6.866 3.472 -6.389 1.00 . A A . 3 LEU HD11 1 1
7 1144 1 1 3 LEU HD12 H 6.035 2.416 -5.247 1.00 . A A . 3 LEU HD12 1 1
7 1145 1 1 3 LEU HD13 H 6.148 4.147 -4.927 1.00 . A A . 3 LEU HD13 1 1
7 1146 1 1 3 LEU HD21 H 4.921 2.957 -8.468 1.00 . A A . 3 LEU HD21 1 1
7 1147 1 1 3 LEU HD22 H 3.502 2.333 -7.626 1.00 . A A . 3 LEU HD22 1 1
7 1148 1 1 3 LEU HD23 H 5.099 1.679 -7.264 1.00 . A A . 3 LEU HD23 1 1
7 1149 1 1 3 LEU HG H 4.782 4.591 -6.918 1.00 . A A . 3 LEU HG 1 1
7 1150 1 1 3 LEU N N 4.477 3.218 -3.233 1.00 . A A . 3 LEU N 1 1
7 1151 1 1 3 LEU O O 1.926 5.669 -3.866 1.00 . A A . 3 LEU O 1 1
7 1152 1 1 4 LEU C C 1.041 4.876 -0.448 1.00 . A A . 4 LEU C 1 1
7 1153 1 1 4 LEU CA C 0.768 4.227 -1.802 1.00 . A A . 4 LEU CA 1 1
7 1154 1 1 4 LEU CB C -0.081 2.968 -1.615 1.00 . A A . 4 LEU CB 1 1
7 1155 1 1 4 LEU CD1 C -1.401 3.292 0.491 1.00 . A A . 4 LEU CD1 1 1
7 1156 1 1 4 LEU CD2 C -2.123 4.422 -1.620 1.00 . A A . 4 LEU CD2 1 1
7 1157 1 1 4 LEU CG C -1.475 3.181 -1.024 1.00 . A A . 4 LEU CG 1 1
7 1158 1 1 4 LEU H H 2.513 3.100 -2.206 1.00 . A A . 4 LEU H 1 1
7 1159 1 1 4 LEU HA H 0.229 4.927 -2.421 1.00 . A A . 4 LEU HA 1 1
7 1160 1 1 4 LEU HB2 H -0.200 2.503 -2.582 1.00 . A A . 4 LEU HB2 1 1
7 1161 1 1 4 LEU HB3 H 0.459 2.300 -0.960 1.00 . A A . 4 LEU HB3 1 1
7 1162 1 1 4 LEU HD11 H -0.369 3.248 0.805 1.00 . A A . 4 LEU HD11 1 1
7 1163 1 1 4 LEU HD12 H -1.948 2.475 0.938 1.00 . A A . 4 LEU HD12 1 1
7 1164 1 1 4 LEU HD13 H -1.835 4.230 0.805 1.00 . A A . 4 LEU HD13 1 1
7 1165 1 1 4 LEU HD21 H -3.130 4.520 -1.241 1.00 . A A . 4 LEU HD21 1 1
7 1166 1 1 4 LEU HD22 H -2.150 4.332 -2.696 1.00 . A A . 4 LEU HD22 1 1
7 1167 1 1 4 LEU HD23 H -1.549 5.295 -1.346 1.00 . A A . 4 LEU HD23 1 1
7 1168 1 1 4 LEU HG H -2.096 2.329 -1.266 1.00 . A A . 4 LEU HG 1 1
7 1169 1 1 4 LEU N N 2.016 3.897 -2.482 1.00 . A A . 4 LEU N 1 1
7 1170 1 1 4 LEU O O 0.198 5.597 0.086 1.00 . A A . 4 LEU O 1 1
7 1171 1 1 5 SER C C 3.504 6.393 1.212 1.00 . A A . 5 SER C 1 1
7 1172 1 1 5 SER CA C 2.606 5.173 1.392 1.00 . A A . 5 SER CA 1 1
7 1173 1 1 5 SER CB C 3.324 4.116 2.234 1.00 . A A . 5 SER CB 1 1
7 1174 1 1 5 SER H H 2.852 4.032 -0.375 1.00 . A A . 5 SER H 1 1
7 1175 1 1 5 SER HA H 1.704 5.476 1.902 1.00 . A A . 5 SER HA 1 1
7 1176 1 1 5 SER HB2 H 4.136 3.695 1.662 1.00 . A A . 5 SER HB2 1 1
7 1177 1 1 5 SER HB3 H 3.715 4.578 3.129 1.00 . A A . 5 SER HB3 1 1
7 1178 1 1 5 SER HG H 2.683 2.267 2.148 1.00 . A A . 5 SER HG 1 1
7 1179 1 1 5 SER N N 2.223 4.615 0.100 1.00 . A A . 5 SER N 1 1
7 1180 1 1 5 SER O O 3.641 7.216 2.117 1.00 . A A . 5 SER O 1 1
7 1181 1 1 5 SER OG O 2.439 3.074 2.607 1.00 . A A . 5 SER OG 1 1
7 1182 1 1 6 LYS C C 4.292 8.952 -0.036 1.00 . A A . 6 LYS C 1 1
7 1183 1 1 6 LYS CA C 5.001 7.621 -0.264 1.00 . A A . 6 LYS CA 1 1
7 1184 1 1 6 LYS CB C 5.492 7.534 -1.711 1.00 . A A . 6 LYS CB 1 1
7 1185 1 1 6 LYS CD C 4.930 9.543 -3.110 1.00 . A A . 6 LYS CD 1 1
7 1186 1 1 6 LYS CE C 4.599 10.927 -2.574 1.00 . A A . 6 LYS CE 1 1
7 1187 1 1 6 LYS CG C 5.990 8.857 -2.264 1.00 . A A . 6 LYS CG 1 1
7 1188 1 1 6 LYS H H 3.967 5.813 -0.644 1.00 . A A . 6 LYS H 1 1
7 1189 1 1 6 LYS HA H 5.850 7.560 0.400 1.00 . A A . 6 LYS HA 1 1
7 1190 1 1 6 LYS HB2 H 6.300 6.818 -1.762 1.00 . A A . 6 LYS HB2 1 1
7 1191 1 1 6 LYS HB3 H 4.679 7.190 -2.334 1.00 . A A . 6 LYS HB3 1 1
7 1192 1 1 6 LYS HD2 H 5.296 9.639 -4.122 1.00 . A A . 6 LYS HD2 1 1
7 1193 1 1 6 LYS HD3 H 4.033 8.940 -3.105 1.00 . A A . 6 LYS HD3 1 1
7 1194 1 1 6 LYS HE2 H 3.554 10.954 -2.307 1.00 . A A . 6 LYS HE2 1 1
7 1195 1 1 6 LYS HE3 H 5.199 11.111 -1.695 1.00 . A A . 6 LYS HE3 1 1
7 1196 1 1 6 LYS HG2 H 6.254 9.505 -1.442 1.00 . A A . 6 LYS HG2 1 1
7 1197 1 1 6 LYS HG3 H 6.863 8.675 -2.875 1.00 . A A . 6 LYS HG3 1 1
7 1198 1 1 6 LYS HZ1 H 4.040 12.128 -4.189 1.00 . A A . 6 LYS HZ1 1 1
7 1199 1 1 6 LYS HZ2 H 5.683 11.723 -4.172 1.00 . A A . 6 LYS HZ2 1 1
7 1200 1 1 6 LYS HZ3 H 5.088 12.888 -3.100 1.00 . A A . 6 LYS HZ3 1 1
7 1201 1 1 6 LYS N N 4.116 6.502 0.038 1.00 . A A . 6 LYS N 1 1
7 1202 1 1 6 LYS NZ N 4.871 11.991 -3.579 1.00 . A A . 6 LYS NZ 1 1
7 1203 1 1 6 LYS O O 4.930 9.965 0.247 1.00 . A A . 6 LYS O 1 1
7 1204 1 1 7 ALA C C 2.244 10.622 1.484 1.00 . A A . 7 ALA C 1 1
7 1205 1 1 7 ALA CA C 2.173 10.147 0.037 1.00 . A A . 7 ALA CA 1 1
7 1206 1 1 7 ALA CB C 0.728 9.898 -0.369 1.00 . A A . 7 ALA CB 1 1
7 1207 1 1 7 ALA H H 2.516 8.102 -0.386 1.00 . A A . 7 ALA H 1 1
7 1208 1 1 7 ALA HA H 2.573 10.919 -0.605 1.00 . A A . 7 ALA HA 1 1
7 1209 1 1 7 ALA HB1 H 0.693 9.602 -1.407 1.00 . A A . 7 ALA HB1 1 1
7 1210 1 1 7 ALA HB2 H 0.313 9.112 0.244 1.00 . A A . 7 ALA HB2 1 1
7 1211 1 1 7 ALA HB3 H 0.155 10.803 -0.232 1.00 . A A . 7 ALA HB3 1 1
7 1212 1 1 7 ALA N N 2.968 8.941 -0.159 1.00 . A A . 7 ALA N 1 1
7 1213 1 1 7 ALA O O 1.959 11.782 1.781 1.00 . A A . 7 ALA O 1 1
7 1214 1 1 8 GLN C C 4.152 9.816 4.304 1.00 . A A . 8 GLN C 1 1
7 1215 1 1 8 GLN CA C 2.732 10.045 3.798 1.00 . A A . 8 GLN CA 1 1
7 1216 1 1 8 GLN CB C 1.746 9.206 4.612 1.00 . A A . 8 GLN CB 1 1
7 1217 1 1 8 GLN CD C 1.016 6.888 5.305 1.00 . A A . 8 GLN CD 1 1
7 1218 1 1 8 GLN CG C 1.852 7.713 4.346 1.00 . A A . 8 GLN CG 1 1
7 1219 1 1 8 GLN H H 2.839 8.809 2.083 1.00 . A A . 8 GLN H 1 1
7 1220 1 1 8 GLN HA H 2.485 11.089 3.916 1.00 . A A . 8 GLN HA 1 1
7 1221 1 1 8 GLN HB2 H 1.928 9.377 5.663 1.00 . A A . 8 GLN HB2 1 1
7 1222 1 1 8 GLN HB3 H 0.740 9.521 4.374 1.00 . A A . 8 GLN HB3 1 1
7 1223 1 1 8 GLN HE21 H 1.047 5.349 4.046 1.00 . A A . 8 GLN HE21 1 1
7 1224 1 1 8 GLN HE22 H 0.177 5.099 5.518 1.00 . A A . 8 GLN HE22 1 1
7 1225 1 1 8 GLN HG2 H 1.516 7.515 3.339 1.00 . A A . 8 GLN HG2 1 1
7 1226 1 1 8 GLN HG3 H 2.885 7.416 4.444 1.00 . A A . 8 GLN HG3 1 1
7 1227 1 1 8 GLN N N 2.625 9.718 2.381 1.00 . A A . 8 GLN N 1 1
7 1228 1 1 8 GLN NE2 N 0.716 5.654 4.917 1.00 . A A . 8 GLN NE2 1 1
7 1229 1 1 8 GLN O O 4.471 10.137 5.448 1.00 . A A . 8 GLN O 1 1
7 1230 1 1 8 GLN OE1 O 0.644 7.355 6.382 1.00 . A A . 8 GLN OE1 1 1
7 1231 1 1 9 GLU C C 7.317 10.049 3.231 1.00 . A A . 9 GLU C 1 1
7 1232 1 1 9 GLU CA C 6.385 8.987 3.806 1.00 . A A . 9 GLU CA 1 1
7 1233 1 1 9 GLU CB C 6.803 7.602 3.307 1.00 . A A . 9 GLU CB 1 1
7 1234 1 1 9 GLU CD C 6.695 5.454 4.632 1.00 . A A . 9 GLU CD 1 1
7 1235 1 1 9 GLU CG C 5.921 6.477 3.824 1.00 . A A . 9 GLU CG 1 1
7 1236 1 1 9 GLU H H 4.685 9.026 2.546 1.00 . A A . 9 GLU H 1 1
7 1237 1 1 9 GLU HA H 6.457 9.008 4.883 1.00 . A A . 9 GLU HA 1 1
7 1238 1 1 9 GLU HB2 H 6.765 7.595 2.228 1.00 . A A . 9 GLU HB2 1 1
7 1239 1 1 9 GLU HB3 H 7.817 7.410 3.624 1.00 . A A . 9 GLU HB3 1 1
7 1240 1 1 9 GLU HG2 H 5.151 6.900 4.451 1.00 . A A . 9 GLU HG2 1 1
7 1241 1 1 9 GLU HG3 H 5.465 5.979 2.982 1.00 . A A . 9 GLU HG3 1 1
7 1242 1 1 9 GLU N N 4.999 9.259 3.444 1.00 . A A . 9 GLU N 1 1
7 1243 1 1 9 GLU O O 7.925 10.824 3.969 1.00 . A A . 9 GLU O 1 1
7 1244 1 1 9 GLU OE1 O 7.328 5.844 5.636 1.00 . A A . 9 GLU OE1 1 1
7 1245 1 1 9 GLU OE2 O 6.668 4.262 4.261 1.00 . A A . 9 GLU OE2 1 1
7 1246 1 1 10 LYS C C 7.491 12.289 0.835 1.00 . A A . 10 LYS C 1 1
7 1247 1 1 10 LYS CA C 8.281 11.045 1.230 1.00 . A A . 10 LYS CA 1 1
7 1248 1 1 10 LYS CB C 8.914 10.414 -0.012 1.00 . A A . 10 LYS CB 1 1
7 1249 1 1 10 LYS CD C 11.014 9.557 1.066 1.00 . A A . 10 LYS CD 1 1
7 1250 1 1 10 LYS CE C 12.273 9.222 0.280 1.00 . A A . 10 LYS CE 1 1
7 1251 1 1 10 LYS CG C 9.760 9.190 0.291 1.00 . A A . 10 LYS CG 1 1
7 1252 1 1 10 LYS H H 6.915 9.435 1.372 1.00 . A A . 10 LYS H 1 1
7 1253 1 1 10 LYS HA H 9.063 11.333 1.916 1.00 . A A . 10 LYS HA 1 1
7 1254 1 1 10 LYS HB2 H 8.129 10.124 -0.694 1.00 . A A . 10 LYS HB2 1 1
7 1255 1 1 10 LYS HB3 H 9.543 11.149 -0.494 1.00 . A A . 10 LYS HB3 1 1
7 1256 1 1 10 LYS HD2 H 11.003 10.617 1.272 1.00 . A A . 10 LYS HD2 1 1
7 1257 1 1 10 LYS HD3 H 11.025 9.008 1.997 1.00 . A A . 10 LYS HD3 1 1
7 1258 1 1 10 LYS HE2 H 13.117 9.243 0.952 1.00 . A A . 10 LYS HE2 1 1
7 1259 1 1 10 LYS HE3 H 12.169 8.230 -0.135 1.00 . A A . 10 LYS HE3 1 1
7 1260 1 1 10 LYS HG2 H 9.176 8.497 0.880 1.00 . A A . 10 LYS HG2 1 1
7 1261 1 1 10 LYS HG3 H 10.047 8.722 -0.640 1.00 . A A . 10 LYS HG3 1 1
7 1262 1 1 10 LYS HZ1 H 11.687 10.817 -0.935 1.00 . A A . 10 LYS HZ1 1 1
7 1263 1 1 10 LYS HZ2 H 12.662 9.679 -1.720 1.00 . A A . 10 LYS HZ2 1 1
7 1264 1 1 10 LYS HZ3 H 13.348 10.768 -0.623 1.00 . A A . 10 LYS HZ3 1 1
7 1265 1 1 10 LYS N N 7.425 10.079 1.907 1.00 . A A . 10 LYS N 1 1
7 1266 1 1 10 LYS NZ N 12.509 10.189 -0.827 1.00 . A A . 10 LYS NZ 1 1
7 1267 1 1 10 LYS O O 6.364 12.490 1.287 1.00 . A A . 10 LYS O 1 1
8 1268 1 1 1 TRP C C 2.908 1.247 -1.177 1.00 . A A . 1 TRP C 1 1
8 1269 1 1 1 TRP CA C 1.876 0.128 -1.264 1.00 . A A . 1 TRP CA 1 1
8 1270 1 1 1 TRP CB C 1.024 0.300 -2.523 1.00 . A A . 1 TRP CB 1 1
8 1271 1 1 1 TRP CD1 C 2.924 -0.722 -3.907 1.00 . A A . 1 TRP CD1 1 1
8 1272 1 1 1 TRP CD2 C 1.405 0.397 -5.113 1.00 . A A . 1 TRP CD2 1 1
8 1273 1 1 1 TRP CE2 C 2.386 -0.111 -5.986 1.00 . A A . 1 TRP CE2 1 1
8 1274 1 1 1 TRP CE3 C 0.345 1.136 -5.648 1.00 . A A . 1 TRP CE3 1 1
8 1275 1 1 1 TRP CG C 1.767 -0.006 -3.788 1.00 . A A . 1 TRP CG 1 1
8 1276 1 1 1 TRP CH2 C 1.291 0.825 -7.858 1.00 . A A . 1 TRP CH2 1 1
8 1277 1 1 1 TRP CZ2 C 2.339 0.099 -7.362 1.00 . A A . 1 TRP CZ2 1 1
8 1278 1 1 1 TRP CZ3 C 0.300 1.343 -7.013 1.00 . A A . 1 TRP CZ3 1 1
8 1279 1 1 1 TRP H1 H 1.443 0.039 0.807 1.00 . A A . 1 TRP H1 1 1
8 1280 1 1 1 TRP HA H 2.392 -0.819 -1.315 1.00 . A A . 1 TRP HA 1 1
8 1281 1 1 1 TRP HB2 H 0.173 -0.362 -2.467 1.00 . A A . 1 TRP HB2 1 1
8 1282 1 1 1 TRP HB3 H 0.678 1.322 -2.578 1.00 . A A . 1 TRP HB3 1 1
8 1283 1 1 1 TRP HD1 H 3.453 -1.164 -3.077 1.00 . A A . 1 TRP HD1 1 1
8 1284 1 1 1 TRP HE1 H 4.098 -1.249 -5.567 1.00 . A A . 1 TRP HE1 1 1
8 1285 1 1 1 TRP HE3 H -0.428 1.542 -5.013 1.00 . A A . 1 TRP HE3 1 1
8 1286 1 1 1 TRP HH2 H 1.215 1.012 -8.918 1.00 . A A . 1 TRP HH2 1 1
8 1287 1 1 1 TRP HZ2 H 3.095 -0.294 -8.027 1.00 . A A . 1 TRP HZ2 1 1
8 1288 1 1 1 TRP HZ3 H -0.511 1.912 -7.444 1.00 . A A . 1 TRP HZ3 1 1
8 1289 1 1 1 TRP N N 1.027 0.111 -0.078 1.00 . A A . 1 TRP N 1 1
8 1290 1 1 1 TRP NE1 N 3.302 -0.789 -5.226 1.00 . A A . 1 TRP NE1 1 1
8 1291 1 1 1 TRP O O 2.593 2.368 -0.778 1.00 . A A . 1 TRP O 1 1
8 1292 1 1 2 LYS C C 4.818 3.197 -2.239 1.00 . A A . 2 LYS C 1 1
8 1293 1 1 2 LYS CA C 5.224 1.915 -1.520 1.00 . A A . 2 LYS CA 1 1
8 1294 1 1 2 LYS CB C 6.486 1.335 -2.163 1.00 . A A . 2 LYS CB 1 1
8 1295 1 1 2 LYS CD C 6.597 -0.257 -0.224 1.00 . A A . 2 LYS CD 1 1
8 1296 1 1 2 LYS CE C 7.511 -1.091 0.662 1.00 . A A . 2 LYS CE 1 1
8 1297 1 1 2 LYS CG C 7.393 0.614 -1.181 1.00 . A A . 2 LYS CG 1 1
8 1298 1 1 2 LYS H H 4.334 0.024 -1.863 1.00 . A A . 2 LYS H 1 1
8 1299 1 1 2 LYS HA H 5.431 2.145 -0.486 1.00 . A A . 2 LYS HA 1 1
8 1300 1 1 2 LYS HB2 H 6.194 0.635 -2.933 1.00 . A A . 2 LYS HB2 1 1
8 1301 1 1 2 LYS HB3 H 7.047 2.140 -2.615 1.00 . A A . 2 LYS HB3 1 1
8 1302 1 1 2 LYS HD2 H 5.987 0.376 0.403 1.00 . A A . 2 LYS HD2 1 1
8 1303 1 1 2 LYS HD3 H 5.963 -0.920 -0.796 1.00 . A A . 2 LYS HD3 1 1
8 1304 1 1 2 LYS HE2 H 8.300 -0.458 1.039 1.00 . A A . 2 LYS HE2 1 1
8 1305 1 1 2 LYS HE3 H 6.934 -1.478 1.489 1.00 . A A . 2 LYS HE3 1 1
8 1306 1 1 2 LYS HG2 H 8.081 -0.011 -1.732 1.00 . A A . 2 LYS HG2 1 1
8 1307 1 1 2 LYS HG3 H 7.946 1.347 -0.611 1.00 . A A . 2 LYS HG3 1 1
8 1308 1 1 2 LYS HZ1 H 7.875 -2.166 -1.091 1.00 . A A . 2 LYS HZ1 1 1
8 1309 1 1 2 LYS HZ2 H 7.759 -3.131 0.294 1.00 . A A . 2 LYS HZ2 1 1
8 1310 1 1 2 LYS HZ3 H 9.152 -2.211 0.018 1.00 . A A . 2 LYS HZ3 1 1
8 1311 1 1 2 LYS N N 4.144 0.936 -1.554 1.00 . A A . 2 LYS N 1 1
8 1312 1 1 2 LYS NZ N 8.117 -2.230 -0.082 1.00 . A A . 2 LYS NZ 1 1
8 1313 1 1 2 LYS O O 5.028 4.299 -1.730 1.00 . A A . 2 LYS O 1 1
8 1314 1 1 3 LEU C C 2.636 4.912 -3.531 1.00 . A A . 3 LEU C 1 1
8 1315 1 1 3 LEU CA C 3.798 4.194 -4.211 1.00 . A A . 3 LEU CA 1 1
8 1316 1 1 3 LEU CB C 3.383 3.746 -5.614 1.00 . A A . 3 LEU CB 1 1
8 1317 1 1 3 LEU CD1 C 5.757 3.002 -5.924 1.00 . A A . 3 LEU CD1 1 1
8 1318 1 1 3 LEU CD2 C 4.082 2.620 -7.742 1.00 . A A . 3 LEU CD2 1 1
8 1319 1 1 3 LEU CG C 4.519 3.549 -6.618 1.00 . A A . 3 LEU CG 1 1
8 1320 1 1 3 LEU H H 4.095 2.145 -3.777 1.00 . A A . 3 LEU H 1 1
8 1321 1 1 3 LEU HA H 4.630 4.878 -4.292 1.00 . A A . 3 LEU HA 1 1
8 1322 1 1 3 LEU HB2 H 2.859 2.808 -5.520 1.00 . A A . 3 LEU HB2 1 1
8 1323 1 1 3 LEU HB3 H 2.712 4.493 -6.014 1.00 . A A . 3 LEU HB3 1 1
8 1324 1 1 3 LEU HD11 H 6.045 3.669 -5.125 1.00 . A A . 3 LEU HD11 1 1
8 1325 1 1 3 LEU HD12 H 6.564 2.924 -6.637 1.00 . A A . 3 LEU HD12 1 1
8 1326 1 1 3 LEU HD13 H 5.540 2.025 -5.518 1.00 . A A . 3 LEU HD13 1 1
8 1327 1 1 3 LEU HD21 H 4.431 1.619 -7.538 1.00 . A A . 3 LEU HD21 1 1
8 1328 1 1 3 LEU HD22 H 4.501 2.964 -8.676 1.00 . A A . 3 LEU HD22 1 1
8 1329 1 1 3 LEU HD23 H 3.004 2.620 -7.810 1.00 . A A . 3 LEU HD23 1 1
8 1330 1 1 3 LEU HG H 4.776 4.504 -7.054 1.00 . A A . 3 LEU HG 1 1
8 1331 1 1 3 LEU N N 4.235 3.047 -3.423 1.00 . A A . 3 LEU N 1 1
8 1332 1 1 3 LEU O O 2.336 6.065 -3.843 1.00 . A A . 3 LEU O 1 1
8 1333 1 1 4 LEU C C 1.294 5.289 -0.494 1.00 . A A . 4 LEU C 1 1
8 1334 1 1 4 LEU CA C 0.860 4.796 -1.870 1.00 . A A . 4 LEU CA 1 1
8 1335 1 1 4 LEU CB C -0.257 3.761 -1.725 1.00 . A A . 4 LEU CB 1 1
8 1336 1 1 4 LEU CD1 C -1.378 4.183 0.477 1.00 . A A . 4 LEU CD1 1 1
8 1337 1 1 4 LEU CD2 C -1.880 5.655 -1.482 1.00 . A A . 4 LEU CD2 1 1
8 1338 1 1 4 LEU CG C -1.533 4.243 -1.035 1.00 . A A . 4 LEU CG 1 1
8 1339 1 1 4 LEU H H 2.273 3.309 -2.393 1.00 . A A . 4 LEU H 1 1
8 1340 1 1 4 LEU HA H 0.490 5.635 -2.440 1.00 . A A . 4 LEU HA 1 1
8 1341 1 1 4 LEU HB2 H -0.524 3.421 -2.714 1.00 . A A . 4 LEU HB2 1 1
8 1342 1 1 4 LEU HB3 H 0.136 2.930 -1.155 1.00 . A A . 4 LEU HB3 1 1
8 1343 1 1 4 LEU HD11 H -0.370 3.887 0.724 1.00 . A A . 4 LEU HD11 1 1
8 1344 1 1 4 LEU HD12 H -2.074 3.465 0.882 1.00 . A A . 4 LEU HD12 1 1
8 1345 1 1 4 LEU HD13 H -1.580 5.157 0.898 1.00 . A A . 4 LEU HD13 1 1
8 1346 1 1 4 LEU HD21 H -1.493 5.823 -2.476 1.00 . A A . 4 LEU HD21 1 1
8 1347 1 1 4 LEU HD22 H -1.442 6.367 -0.799 1.00 . A A . 4 LEU HD22 1 1
8 1348 1 1 4 LEU HD23 H -2.954 5.777 -1.488 1.00 . A A . 4 LEU HD23 1 1
8 1349 1 1 4 LEU HG H -2.352 3.592 -1.311 1.00 . A A . 4 LEU HG 1 1
8 1350 1 1 4 LEU N N 1.988 4.224 -2.598 1.00 . A A . 4 LEU N 1 1
8 1351 1 1 4 LEU O O 0.649 6.153 0.099 1.00 . A A . 4 LEU O 1 1
8 1352 1 1 5 SER C C 4.005 6.173 1.179 1.00 . A A . 5 SER C 1 1
8 1353 1 1 5 SER CA C 2.913 5.117 1.316 1.00 . A A . 5 SER CA 1 1
8 1354 1 1 5 SER CB C 3.462 3.891 2.048 1.00 . A A . 5 SER CB 1 1
8 1355 1 1 5 SER H H 2.864 4.051 -0.512 1.00 . A A . 5 SER H 1 1
8 1356 1 1 5 SER HA H 2.097 5.532 1.889 1.00 . A A . 5 SER HA 1 1
8 1357 1 1 5 SER HB2 H 4.268 3.462 1.473 1.00 . A A . 5 SER HB2 1 1
8 1358 1 1 5 SER HB3 H 3.832 4.191 3.018 1.00 . A A . 5 SER HB3 1 1
8 1359 1 1 5 SER HG H 2.438 2.632 3.145 1.00 . A A . 5 SER HG 1 1
8 1360 1 1 5 SER N N 2.393 4.735 0.008 1.00 . A A . 5 SER N 1 1
8 1361 1 1 5 SER O O 4.299 6.907 2.123 1.00 . A A . 5 SER O 1 1
8 1362 1 1 5 SER OG O 2.455 2.910 2.226 1.00 . A A . 5 SER OG 1 1
8 1363 1 1 6 LYS C C 5.227 8.619 0.120 1.00 . A A . 6 LYS C 1 1
8 1364 1 1 6 LYS CA C 5.665 7.211 -0.269 1.00 . A A . 6 LYS CA 1 1
8 1365 1 1 6 LYS CB C 6.056 7.177 -1.748 1.00 . A A . 6 LYS CB 1 1
8 1366 1 1 6 LYS CD C 7.857 5.612 -2.533 1.00 . A A . 6 LYS CD 1 1
8 1367 1 1 6 LYS CE C 7.615 5.546 -4.033 1.00 . A A . 6 LYS CE 1 1
8 1368 1 1 6 LYS CG C 7.546 6.992 -1.979 1.00 . A A . 6 LYS CG 1 1
8 1369 1 1 6 LYS H H 4.327 5.633 -0.719 1.00 . A A . 6 LYS H 1 1
8 1370 1 1 6 LYS HA H 6.521 6.935 0.327 1.00 . A A . 6 LYS HA 1 1
8 1371 1 1 6 LYS HB2 H 5.534 6.362 -2.228 1.00 . A A . 6 LYS HB2 1 1
8 1372 1 1 6 LYS HB3 H 5.754 8.107 -2.209 1.00 . A A . 6 LYS HB3 1 1
8 1373 1 1 6 LYS HD2 H 8.893 5.380 -2.337 1.00 . A A . 6 LYS HD2 1 1
8 1374 1 1 6 LYS HD3 H 7.224 4.886 -2.043 1.00 . A A . 6 LYS HD3 1 1
8 1375 1 1 6 LYS HE2 H 6.565 5.368 -4.208 1.00 . A A . 6 LYS HE2 1 1
8 1376 1 1 6 LYS HE3 H 7.898 6.491 -4.472 1.00 . A A . 6 LYS HE3 1 1
8 1377 1 1 6 LYS HG2 H 7.887 7.736 -2.684 1.00 . A A . 6 LYS HG2 1 1
8 1378 1 1 6 LYS HG3 H 8.065 7.119 -1.040 1.00 . A A . 6 LYS HG3 1 1
8 1379 1 1 6 LYS HZ1 H 8.118 4.347 -5.668 1.00 . A A . 6 LYS HZ1 1 1
8 1380 1 1 6 LYS HZ2 H 8.244 3.559 -4.176 1.00 . A A . 6 LYS HZ2 1 1
8 1381 1 1 6 LYS HZ3 H 9.419 4.684 -4.641 1.00 . A A . 6 LYS HZ3 1 1
8 1382 1 1 6 LYS N N 4.605 6.245 -0.005 1.00 . A A . 6 LYS N 1 1
8 1383 1 1 6 LYS NZ N 8.404 4.458 -4.675 1.00 . A A . 6 LYS NZ 1 1
8 1384 1 1 6 LYS O O 6.057 9.479 0.411 1.00 . A A . 6 LYS O 1 1
8 1385 1 1 7 ALA C C 3.727 10.521 1.916 1.00 . A A . 7 ALA C 1 1
8 1386 1 1 7 ALA CA C 3.369 10.149 0.481 1.00 . A A . 7 ALA CA 1 1
8 1387 1 1 7 ALA CB C 1.860 10.157 0.292 1.00 . A A . 7 ALA CB 1 1
8 1388 1 1 7 ALA H H 3.305 8.120 -0.118 1.00 . A A . 7 ALA H 1 1
8 1389 1 1 7 ALA HA H 3.794 10.884 -0.188 1.00 . A A . 7 ALA HA 1 1
8 1390 1 1 7 ALA HB1 H 1.602 10.820 -0.521 1.00 . A A . 7 ALA HB1 1 1
8 1391 1 1 7 ALA HB2 H 1.521 9.157 0.063 1.00 . A A . 7 ALA HB2 1 1
8 1392 1 1 7 ALA HB3 H 1.385 10.499 1.200 1.00 . A A . 7 ALA HB3 1 1
8 1393 1 1 7 ALA N N 3.917 8.847 0.124 1.00 . A A . 7 ALA N 1 1
8 1394 1 1 7 ALA O O 3.810 11.700 2.258 1.00 . A A . 7 ALA O 1 1
8 1395 1 1 8 GLN C C 5.738 9.351 4.415 1.00 . A A . 8 GLN C 1 1
8 1396 1 1 8 GLN CA C 4.284 9.729 4.148 1.00 . A A . 8 GLN CA 1 1
8 1397 1 1 8 GLN CB C 3.359 8.921 5.060 1.00 . A A . 8 GLN CB 1 1
8 1398 1 1 8 GLN CD C 2.499 6.556 4.831 1.00 . A A . 8 GLN CD 1 1
8 1399 1 1 8 GLN CG C 3.698 7.440 5.113 1.00 . A A . 8 GLN CG 1 1
8 1400 1 1 8 GLN H H 3.856 8.590 2.417 1.00 . A A . 8 GLN H 1 1
8 1401 1 1 8 GLN HA H 4.155 10.780 4.359 1.00 . A A . 8 GLN HA 1 1
8 1402 1 1 8 GLN HB2 H 3.422 9.319 6.061 1.00 . A A . 8 GLN HB2 1 1
8 1403 1 1 8 GLN HB3 H 2.344 9.023 4.704 1.00 . A A . 8 GLN HB3 1 1
8 1404 1 1 8 GLN HE21 H 3.044 5.313 6.284 1.00 . A A . 8 GLN HE21 1 1
8 1405 1 1 8 GLN HE22 H 1.602 4.887 5.433 1.00 . A A . 8 GLN HE22 1 1
8 1406 1 1 8 GLN HG2 H 4.460 7.232 4.376 1.00 . A A . 8 GLN HG2 1 1
8 1407 1 1 8 GLN HG3 H 4.077 7.206 6.096 1.00 . A A . 8 GLN HG3 1 1
8 1408 1 1 8 GLN N N 3.937 9.507 2.750 1.00 . A A . 8 GLN N 1 1
8 1409 1 1 8 GLN NE2 N 2.369 5.476 5.592 1.00 . A A . 8 GLN NE2 1 1
8 1410 1 1 8 GLN O O 6.242 9.532 5.523 1.00 . A A . 8 GLN O 1 1
8 1411 1 1 8 GLN OE1 O 1.699 6.841 3.940 1.00 . A A . 8 GLN OE1 1 1
8 1412 1 1 9 GLU C C 8.717 9.393 2.784 1.00 . A A . 9 GLU C 1 1
8 1413 1 1 9 GLU CA C 7.799 8.419 3.518 1.00 . A A . 9 GLU CA 1 1
8 1414 1 1 9 GLU CB C 7.995 7.005 2.968 1.00 . A A . 9 GLU CB 1 1
8 1415 1 1 9 GLU CD C 10.206 5.797 3.141 1.00 . A A . 9 GLU CD 1 1
8 1416 1 1 9 GLU CG C 8.898 6.137 3.827 1.00 . A A . 9 GLU CG 1 1
8 1417 1 1 9 GLU H H 5.947 8.705 2.534 1.00 . A A . 9 GLU H 1 1
8 1418 1 1 9 GLU HA H 8.053 8.425 4.567 1.00 . A A . 9 GLU HA 1 1
8 1419 1 1 9 GLU HB2 H 7.030 6.524 2.894 1.00 . A A . 9 GLU HB2 1 1
8 1420 1 1 9 GLU HB3 H 8.429 7.073 1.981 1.00 . A A . 9 GLU HB3 1 1
8 1421 1 1 9 GLU HG2 H 9.116 6.664 4.744 1.00 . A A . 9 GLU HG2 1 1
8 1422 1 1 9 GLU HG3 H 8.380 5.217 4.057 1.00 . A A . 9 GLU HG3 1 1
8 1423 1 1 9 GLU N N 6.404 8.824 3.392 1.00 . A A . 9 GLU N 1 1
8 1424 1 1 9 GLU O O 9.808 9.027 2.347 1.00 . A A . 9 GLU O 1 1
8 1425 1 1 9 GLU OE1 O 10.177 5.041 2.148 1.00 . A A . 9 GLU OE1 1 1
8 1426 1 1 9 GLU OE2 O 11.260 6.289 3.597 1.00 . A A . 9 GLU OE2 1 1
8 1427 1 1 10 LYS C C 10.373 11.900 2.684 1.00 . A A . 10 LYS C 1 1
8 1428 1 1 10 LYS CA C 9.044 11.665 1.973 1.00 . A A . 10 LYS CA 1 1
8 1429 1 1 10 LYS CB C 8.252 12.972 1.906 1.00 . A A . 10 LYS CB 1 1
8 1430 1 1 10 LYS CD C 6.059 13.997 1.235 1.00 . A A . 10 LYS CD 1 1
8 1431 1 1 10 LYS CE C 5.193 14.308 0.023 1.00 . A A . 10 LYS CE 1 1
8 1432 1 1 10 LYS CG C 7.098 12.935 0.919 1.00 . A A . 10 LYS CG 1 1
8 1433 1 1 10 LYS H H 7.388 10.868 3.022 1.00 . A A . 10 LYS H 1 1
8 1434 1 1 10 LYS HA H 9.242 11.322 0.969 1.00 . A A . 10 LYS HA 1 1
8 1435 1 1 10 LYS HB2 H 7.852 13.188 2.887 1.00 . A A . 10 LYS HB2 1 1
8 1436 1 1 10 LYS HB3 H 8.920 13.770 1.616 1.00 . A A . 10 LYS HB3 1 1
8 1437 1 1 10 LYS HD2 H 5.425 13.642 2.034 1.00 . A A . 10 LYS HD2 1 1
8 1438 1 1 10 LYS HD3 H 6.563 14.900 1.548 1.00 . A A . 10 LYS HD3 1 1
8 1439 1 1 10 LYS HE2 H 5.624 15.145 -0.505 1.00 . A A . 10 LYS HE2 1 1
8 1440 1 1 10 LYS HE3 H 5.179 13.443 -0.623 1.00 . A A . 10 LYS HE3 1 1
8 1441 1 1 10 LYS HG2 H 7.482 13.107 -0.076 1.00 . A A . 10 LYS HG2 1 1
8 1442 1 1 10 LYS HG3 H 6.630 11.961 0.963 1.00 . A A . 10 LYS HG3 1 1
8 1443 1 1 10 LYS HZ1 H 3.141 14.394 -0.355 1.00 . A A . 10 LYS HZ1 1 1
8 1444 1 1 10 LYS HZ2 H 3.716 15.667 0.601 1.00 . A A . 10 LYS HZ2 1 1
8 1445 1 1 10 LYS HZ3 H 3.527 14.125 1.270 1.00 . A A . 10 LYS HZ3 1 1
8 1446 1 1 10 LYS N N 8.266 10.636 2.653 1.00 . A A . 10 LYS N 1 1
8 1447 1 1 10 LYS NZ N 3.796 14.647 0.412 1.00 . A A . 10 LYS NZ 1 1
8 1448 1 1 10 LYS O O 11.091 12.853 2.379 1.00 . A A . 10 LYS O 1 1
9 1449 1 1 1 TRP C C 3.596 1.285 -1.045 1.00 . A A . 1 TRP C 1 1
9 1450 1 1 1 TRP CA C 2.830 -0.033 -1.089 1.00 . A A . 1 TRP CA 1 1
9 1451 1 1 1 TRP CB C 1.963 -0.091 -2.348 1.00 . A A . 1 TRP CB 1 1
9 1452 1 1 1 TRP CD1 C 4.039 -0.726 -3.710 1.00 . A A . 1 TRP CD1 1 1
9 1453 1 1 1 TRP CD2 C 2.317 0.004 -4.942 1.00 . A A . 1 TRP CD2 1 1
9 1454 1 1 1 TRP CE2 C 3.386 -0.308 -5.805 1.00 . A A . 1 TRP CE2 1 1
9 1455 1 1 1 TRP CE3 C 1.125 0.482 -5.493 1.00 . A A . 1 TRP CE3 1 1
9 1456 1 1 1 TRP CG C 2.756 -0.270 -3.607 1.00 . A A . 1 TRP CG 1 1
9 1457 1 1 1 TRP CH2 C 2.118 0.312 -7.698 1.00 . A A . 1 TRP CH2 1 1
9 1458 1 1 1 TRP CZ2 C 3.297 -0.157 -7.186 1.00 . A A . 1 TRP CZ2 1 1
9 1459 1 1 1 TRP CZ3 C 1.038 0.632 -6.864 1.00 . A A . 1 TRP CZ3 1 1
9 1460 1 1 1 TRP H1 H 2.425 -0.145 0.986 1.00 . A A . 1 TRP H1 1 1
9 1461 1 1 1 TRP HA H 3.539 -0.847 -1.113 1.00 . A A . 1 TRP HA 1 1
9 1462 1 1 1 TRP HB2 H 1.276 -0.920 -2.266 1.00 . A A . 1 TRP HB2 1 1
9 1463 1 1 1 TRP HB3 H 1.404 0.829 -2.433 1.00 . A A . 1 TRP HB3 1 1
9 1464 1 1 1 TRP HD1 H 4.650 -1.017 -2.870 1.00 . A A . 1 TRP HD1 1 1
9 1465 1 1 1 TRP HE1 H 5.301 -1.040 -5.360 1.00 . A A . 1 TRP HE1 1 1
9 1466 1 1 1 TRP HE3 H 0.282 0.733 -4.867 1.00 . A A . 1 TRP HE3 1 1
9 1467 1 1 1 TRP HH2 H 2.005 0.445 -8.763 1.00 . A A . 1 TRP HH2 1 1
9 1468 1 1 1 TRP HZ2 H 4.120 -0.399 -7.842 1.00 . A A . 1 TRP HZ2 1 1
9 1469 1 1 1 TRP HZ3 H 0.124 1.000 -7.308 1.00 . A A . 1 TRP HZ3 1 1
9 1470 1 1 1 TRP N N 2.004 -0.195 0.102 1.00 . A A . 1 TRP N 1 1
9 1471 1 1 1 TRP NE1 N 4.425 -0.750 -5.029 1.00 . A A . 1 TRP NE1 1 1
9 1472 1 1 1 TRP O O 3.047 2.322 -0.673 1.00 . A A . 1 TRP O 1 1
9 1473 1 1 2 LYS C C 5.037 3.567 -2.193 1.00 . A A . 2 LYS C 1 1
9 1474 1 1 2 LYS CA C 5.710 2.428 -1.433 1.00 . A A . 2 LYS CA 1 1
9 1475 1 1 2 LYS CB C 7.069 2.114 -2.062 1.00 . A A . 2 LYS CB 1 1
9 1476 1 1 2 LYS CD C 7.590 0.853 0.048 1.00 . A A . 2 LYS CD 1 1
9 1477 1 1 2 LYS CE C 8.410 -0.271 0.664 1.00 . A A . 2 LYS CE 1 1
9 1478 1 1 2 LYS CG C 7.749 0.894 -1.463 1.00 . A A . 2 LYS CG 1 1
9 1479 1 1 2 LYS H H 5.250 0.381 -1.713 1.00 . A A . 2 LYS H 1 1
9 1480 1 1 2 LYS HA H 5.859 2.734 -0.408 1.00 . A A . 2 LYS HA 1 1
9 1481 1 1 2 LYS HB2 H 6.932 1.941 -3.119 1.00 . A A . 2 LYS HB2 1 1
9 1482 1 1 2 LYS HB3 H 7.721 2.965 -1.926 1.00 . A A . 2 LYS HB3 1 1
9 1483 1 1 2 LYS HD2 H 7.921 1.793 0.462 1.00 . A A . 2 LYS HD2 1 1
9 1484 1 1 2 LYS HD3 H 6.547 0.699 0.287 1.00 . A A . 2 LYS HD3 1 1
9 1485 1 1 2 LYS HE2 H 7.793 -0.801 1.373 1.00 . A A . 2 LYS HE2 1 1
9 1486 1 1 2 LYS HE3 H 8.717 -0.946 -0.121 1.00 . A A . 2 LYS HE3 1 1
9 1487 1 1 2 LYS HG2 H 7.307 0.004 -1.885 1.00 . A A . 2 LYS HG2 1 1
9 1488 1 1 2 LYS HG3 H 8.802 0.925 -1.705 1.00 . A A . 2 LYS HG3 1 1
9 1489 1 1 2 LYS HZ1 H 10.478 -0.054 0.857 1.00 . A A . 2 LYS HZ1 1 1
9 1490 1 1 2 LYS HZ2 H 9.656 -0.126 2.334 1.00 . A A . 2 LYS HZ2 1 1
9 1491 1 1 2 LYS HZ3 H 9.596 1.283 1.400 1.00 . A A . 2 LYS HZ3 1 1
9 1492 1 1 2 LYS N N 4.868 1.238 -1.427 1.00 . A A . 2 LYS N 1 1
9 1493 1 1 2 LYS NZ N 9.620 0.244 1.362 1.00 . A A . 2 LYS NZ 1 1
9 1494 1 1 2 LYS O O 5.064 4.719 -1.758 1.00 . A A . 2 LYS O 1 1
9 1495 1 1 3 LEU C C 2.447 4.675 -3.498 1.00 . A A . 3 LEU C 1 1
9 1496 1 1 3 LEU CA C 3.753 4.232 -4.151 1.00 . A A . 3 LEU CA 1 1
9 1497 1 1 3 LEU CB C 3.473 3.668 -5.545 1.00 . A A . 3 LEU CB 1 1
9 1498 1 1 3 LEU CD1 C 5.958 3.471 -5.815 1.00 . A A . 3 LEU CD1 1 1
9 1499 1 1 3 LEU CD2 C 4.438 2.690 -7.642 1.00 . A A . 3 LEU CD2 1 1
9 1500 1 1 3 LEU CG C 4.639 3.713 -6.533 1.00 . A A . 3 LEU CG 1 1
9 1501 1 1 3 LEU H H 4.447 2.303 -3.625 1.00 . A A . 3 LEU H 1 1
9 1502 1 1 3 LEU HA H 4.404 5.089 -4.242 1.00 . A A . 3 LEU HA 1 1
9 1503 1 1 3 LEU HB2 H 3.177 2.636 -5.430 1.00 . A A . 3 LEU HB2 1 1
9 1504 1 1 3 LEU HB3 H 2.655 4.230 -5.971 1.00 . A A . 3 LEU HB3 1 1
9 1505 1 1 3 LEU HD11 H 5.960 2.478 -5.392 1.00 . A A . 3 LEU HD11 1 1
9 1506 1 1 3 LEU HD12 H 6.076 4.199 -5.026 1.00 . A A . 3 LEU HD12 1 1
9 1507 1 1 3 LEU HD13 H 6.773 3.566 -6.518 1.00 . A A . 3 LEU HD13 1 1
9 1508 1 1 3 LEU HD21 H 4.992 1.793 -7.408 1.00 . A A . 3 LEU HD21 1 1
9 1509 1 1 3 LEU HD22 H 4.793 3.099 -8.577 1.00 . A A . 3 LEU HD22 1 1
9 1510 1 1 3 LEU HD23 H 3.387 2.454 -7.728 1.00 . A A . 3 LEU HD23 1 1
9 1511 1 1 3 LEU HG H 4.681 4.694 -6.986 1.00 . A A . 3 LEU HG 1 1
9 1512 1 1 3 LEU N N 4.434 3.237 -3.330 1.00 . A A . 3 LEU N 1 1
9 1513 1 1 3 LEU O O 1.872 5.699 -3.868 1.00 . A A . 3 LEU O 1 1
9 1514 1 1 4 LEU C C 1.042 4.827 -0.453 1.00 . A A . 4 LEU C 1 1
9 1515 1 1 4 LEU CA C 0.748 4.211 -1.817 1.00 . A A . 4 LEU CA 1 1
9 1516 1 1 4 LEU CB C -0.099 2.949 -1.648 1.00 . A A . 4 LEU CB 1 1
9 1517 1 1 4 LEU CD1 C -1.295 3.152 0.546 1.00 . A A . 4 LEU CD1 1 1
9 1518 1 1 4 LEU CD2 C -2.120 4.418 -1.447 1.00 . A A . 4 LEU CD2 1 1
9 1519 1 1 4 LEU CG C -1.455 3.136 -0.967 1.00 . A A . 4 LEU CG 1 1
9 1520 1 1 4 LEU H H 2.488 3.095 -2.274 1.00 . A A . 4 LEU H 1 1
9 1521 1 1 4 LEU HA H 0.199 4.926 -2.412 1.00 . A A . 4 LEU HA 1 1
9 1522 1 1 4 LEU HB2 H -0.276 2.535 -2.629 1.00 . A A . 4 LEU HB2 1 1
9 1523 1 1 4 LEU HB3 H 0.473 2.244 -1.061 1.00 . A A . 4 LEU HB3 1 1
9 1524 1 1 4 LEU HD11 H -0.246 3.099 0.797 1.00 . A A . 4 LEU HD11 1 1
9 1525 1 1 4 LEU HD12 H -1.810 2.303 0.970 1.00 . A A . 4 LEU HD12 1 1
9 1526 1 1 4 LEU HD13 H -1.716 4.064 0.943 1.00 . A A . 4 LEU HD13 1 1
9 1527 1 1 4 LEU HD21 H -1.871 5.226 -0.776 1.00 . A A . 4 LEU HD21 1 1
9 1528 1 1 4 LEU HD22 H -3.191 4.282 -1.466 1.00 . A A . 4 LEU HD22 1 1
9 1529 1 1 4 LEU HD23 H -1.770 4.654 -2.442 1.00 . A A . 4 LEU HD23 1 1
9 1530 1 1 4 LEU HG H -2.098 2.307 -1.225 1.00 . A A . 4 LEU HG 1 1
9 1531 1 1 4 LEU N N 1.986 3.898 -2.524 1.00 . A A . 4 LEU N 1 1
9 1532 1 1 4 LEU O O 0.207 5.532 0.113 1.00 . A A . 4 LEU O 1 1
9 1533 1 1 5 SER C C 3.532 6.310 1.202 1.00 . A A . 5 SER C 1 1
9 1534 1 1 5 SER CA C 2.638 5.085 1.366 1.00 . A A . 5 SER CA 1 1
9 1535 1 1 5 SER CB C 3.370 4.009 2.172 1.00 . A A . 5 SER CB 1 1
9 1536 1 1 5 SER H H 2.857 3.989 -0.432 1.00 . A A . 5 SER H 1 1
9 1537 1 1 5 SER HA H 1.744 5.374 1.899 1.00 . A A . 5 SER HA 1 1
9 1538 1 1 5 SER HB2 H 4.174 3.603 1.577 1.00 . A A . 5 SER HB2 1 1
9 1539 1 1 5 SER HB3 H 3.774 4.450 3.071 1.00 . A A . 5 SER HB3 1 1
9 1540 1 1 5 SER HG H 2.925 2.384 3.171 1.00 . A A . 5 SER HG 1 1
9 1541 1 1 5 SER N N 2.235 4.558 0.068 1.00 . A A . 5 SER N 1 1
9 1542 1 1 5 SER O O 3.680 7.113 2.123 1.00 . A A . 5 SER O 1 1
9 1543 1 1 5 SER OG O 2.493 2.956 2.532 1.00 . A A . 5 SER OG 1 1
9 1544 1 1 6 LYS C C 4.298 8.897 0.000 1.00 . A A . 6 LYS C 1 1
9 1545 1 1 6 LYS CA C 5.006 7.573 -0.267 1.00 . A A . 6 LYS CA 1 1
9 1546 1 1 6 LYS CB C 5.477 7.519 -1.722 1.00 . A A . 6 LYS CB 1 1
9 1547 1 1 6 LYS CD C 4.895 9.557 -3.070 1.00 . A A . 6 LYS CD 1 1
9 1548 1 1 6 LYS CE C 4.568 10.928 -2.498 1.00 . A A . 6 LYS CE 1 1
9 1549 1 1 6 LYS CG C 5.967 8.855 -2.253 1.00 . A A . 6 LYS CG 1 1
9 1550 1 1 6 LYS H H 3.969 5.772 -0.673 1.00 . A A . 6 LYS H 1 1
9 1551 1 1 6 LYS HA H 5.864 7.499 0.383 1.00 . A A . 6 LYS HA 1 1
9 1552 1 1 6 LYS HB2 H 6.285 6.806 -1.800 1.00 . A A . 6 LYS HB2 1 1
9 1553 1 1 6 LYS HB3 H 4.656 7.188 -2.342 1.00 . A A . 6 LYS HB3 1 1
9 1554 1 1 6 LYS HD2 H 5.248 9.677 -4.083 1.00 . A A . 6 LYS HD2 1 1
9 1555 1 1 6 LYS HD3 H 3.999 8.952 -3.068 1.00 . A A . 6 LYS HD3 1 1
9 1556 1 1 6 LYS HE2 H 3.526 10.947 -2.217 1.00 . A A . 6 LYS HE2 1 1
9 1557 1 1 6 LYS HE3 H 5.180 11.094 -1.624 1.00 . A A . 6 LYS HE3 1 1
9 1558 1 1 6 LYS HG2 H 6.240 9.485 -1.420 1.00 . A A . 6 LYS HG2 1 1
9 1559 1 1 6 LYS HG3 H 6.832 8.688 -2.879 1.00 . A A . 6 LYS HG3 1 1
9 1560 1 1 6 LYS HZ1 H 5.513 11.698 -4.195 1.00 . A A . 6 LYS HZ1 1 1
9 1561 1 1 6 LYS HZ2 H 5.202 12.854 -2.999 1.00 . A A . 6 LYS HZ2 1 1
9 1562 1 1 6 LYS HZ3 H 3.940 12.276 -3.965 1.00 . A A . 6 LYS HZ3 1 1
9 1563 1 1 6 LYS N N 4.127 6.446 0.021 1.00 . A A . 6 LYS N 1 1
9 1564 1 1 6 LYS NZ N 4.823 12.015 -3.483 1.00 . A A . 6 LYS NZ 1 1
9 1565 1 1 6 LYS O O 4.939 9.905 0.296 1.00 . A A . 6 LYS O 1 1
9 1566 1 1 7 ALA C C 2.271 10.531 1.584 1.00 . A A . 7 ALA C 1 1
9 1567 1 1 7 ALA CA C 2.179 10.087 0.128 1.00 . A A . 7 ALA CA 1 1
9 1568 1 1 7 ALA CB C 0.729 9.844 -0.262 1.00 . A A . 7 ALA CB 1 1
9 1569 1 1 7 ALA H H 2.520 8.053 -0.345 1.00 . A A . 7 ALA H 1 1
9 1570 1 1 7 ALA HA H 2.569 10.873 -0.502 1.00 . A A . 7 ALA HA 1 1
9 1571 1 1 7 ALA HB1 H 0.133 10.699 0.022 1.00 . A A . 7 ALA HB1 1 1
9 1572 1 1 7 ALA HB2 H 0.663 9.697 -1.330 1.00 . A A . 7 ALA HB2 1 1
9 1573 1 1 7 ALA HB3 H 0.362 8.965 0.246 1.00 . A A . 7 ALA HB3 1 1
9 1574 1 1 7 ALA N N 2.973 8.887 -0.106 1.00 . A A . 7 ALA N 1 1
9 1575 1 1 7 ALA O O 1.984 11.682 1.910 1.00 . A A . 7 ALA O 1 1
9 1576 1 1 8 GLN C C 4.228 9.679 4.354 1.00 . A A . 8 GLN C 1 1
9 1577 1 1 8 GLN CA C 2.798 9.907 3.876 1.00 . A A . 8 GLN CA 1 1
9 1578 1 1 8 GLN CB C 1.832 9.041 4.688 1.00 . A A . 8 GLN CB 1 1
9 1579 1 1 8 GLN CD C -0.277 10.176 3.886 1.00 . A A . 8 GLN CD 1 1
9 1580 1 1 8 GLN CG C 0.473 8.867 4.032 1.00 . A A . 8 GLN CG 1 1
9 1581 1 1 8 GLN H H 2.885 8.709 2.133 1.00 . A A . 8 GLN H 1 1
9 1582 1 1 8 GLN HA H 2.544 10.946 4.022 1.00 . A A . 8 GLN HA 1 1
9 1583 1 1 8 GLN HB2 H 2.271 8.064 4.824 1.00 . A A . 8 GLN HB2 1 1
9 1584 1 1 8 GLN HB3 H 1.685 9.498 5.656 1.00 . A A . 8 GLN HB3 1 1
9 1585 1 1 8 GLN HE21 H -0.389 10.360 5.862 1.00 . A A . 8 GLN HE21 1 1
9 1586 1 1 8 GLN HE22 H -1.116 11.633 4.947 1.00 . A A . 8 GLN HE22 1 1
9 1587 1 1 8 GLN HG2 H 0.613 8.439 3.050 1.00 . A A . 8 GLN HG2 1 1
9 1588 1 1 8 GLN HG3 H -0.120 8.194 4.634 1.00 . A A . 8 GLN HG3 1 1
9 1589 1 1 8 GLN N N 2.671 9.609 2.455 1.00 . A A . 8 GLN N 1 1
9 1590 1 1 8 GLN NE2 N -0.631 10.785 5.012 1.00 . A A . 8 GLN NE2 1 1
9 1591 1 1 8 GLN O O 4.569 9.996 5.494 1.00 . A A . 8 GLN O 1 1
9 1592 1 1 8 GLN OE1 O -0.537 10.636 2.773 1.00 . A A . 8 GLN OE1 1 1
9 1593 1 1 9 GLU C C 7.387 9.790 3.045 1.00 . A A . 9 GLU C 1 1
9 1594 1 1 9 GLU CA C 6.453 8.858 3.810 1.00 . A A . 9 GLU CA 1 1
9 1595 1 1 9 GLU CB C 6.802 7.401 3.499 1.00 . A A . 9 GLU CB 1 1
9 1596 1 1 9 GLU CD C 8.770 6.933 5.012 1.00 . A A . 9 GLU CD 1 1
9 1597 1 1 9 GLU CG C 7.317 6.628 4.701 1.00 . A A . 9 GLU CG 1 1
9 1598 1 1 9 GLU H H 4.729 8.898 2.583 1.00 . A A . 9 GLU H 1 1
9 1599 1 1 9 GLU HA H 6.580 9.030 4.868 1.00 . A A . 9 GLU HA 1 1
9 1600 1 1 9 GLU HB2 H 5.918 6.903 3.128 1.00 . A A . 9 GLU HB2 1 1
9 1601 1 1 9 GLU HB3 H 7.563 7.382 2.732 1.00 . A A . 9 GLU HB3 1 1
9 1602 1 1 9 GLU HG2 H 6.720 6.886 5.562 1.00 . A A . 9 GLU HG2 1 1
9 1603 1 1 9 GLU HG3 H 7.222 5.571 4.502 1.00 . A A . 9 GLU HG3 1 1
9 1604 1 1 9 GLU N N 5.060 9.128 3.476 1.00 . A A . 9 GLU N 1 1
9 1605 1 1 9 GLU O O 8.099 10.600 3.639 1.00 . A A . 9 GLU O 1 1
9 1606 1 1 9 GLU OE1 O 9.369 7.760 4.293 1.00 . A A . 9 GLU OE1 1 1
9 1607 1 1 9 GLU OE2 O 9.308 6.344 5.972 1.00 . A A . 9 GLU OE2 1 1
9 1608 1 1 10 LYS C C 7.421 11.644 0.258 1.00 . A A . 10 LYS C 1 1
9 1609 1 1 10 LYS CA C 8.224 10.502 0.872 1.00 . A A . 10 LYS CA 1 1
9 1610 1 1 10 LYS CB C 8.859 9.657 -0.235 1.00 . A A . 10 LYS CB 1 1
9 1611 1 1 10 LYS CD C 10.211 7.541 -0.181 1.00 . A A . 10 LYS CD 1 1
9 1612 1 1 10 LYS CE C 11.058 6.755 0.808 1.00 . A A . 10 LYS CE 1 1
9 1613 1 1 10 LYS CG C 10.177 9.020 0.167 1.00 . A A . 10 LYS CG 1 1
9 1614 1 1 10 LYS H H 6.790 9.007 1.305 1.00 . A A . 10 LYS H 1 1
9 1615 1 1 10 LYS HA H 9.006 10.919 1.489 1.00 . A A . 10 LYS HA 1 1
9 1616 1 1 10 LYS HB2 H 8.171 8.871 -0.510 1.00 . A A . 10 LYS HB2 1 1
9 1617 1 1 10 LYS HB3 H 9.035 10.287 -1.095 1.00 . A A . 10 LYS HB3 1 1
9 1618 1 1 10 LYS HD2 H 9.203 7.153 -0.162 1.00 . A A . 10 LYS HD2 1 1
9 1619 1 1 10 LYS HD3 H 10.626 7.422 -1.171 1.00 . A A . 10 LYS HD3 1 1
9 1620 1 1 10 LYS HE2 H 10.822 7.087 1.808 1.00 . A A . 10 LYS HE2 1 1
9 1621 1 1 10 LYS HE3 H 10.819 5.706 0.712 1.00 . A A . 10 LYS HE3 1 1
9 1622 1 1 10 LYS HG2 H 10.982 9.519 -0.353 1.00 . A A . 10 LYS HG2 1 1
9 1623 1 1 10 LYS HG3 H 10.311 9.132 1.234 1.00 . A A . 10 LYS HG3 1 1
9 1624 1 1 10 LYS HZ1 H 12.970 6.027 0.389 1.00 . A A . 10 LYS HZ1 1 1
9 1625 1 1 10 LYS HZ2 H 12.960 7.388 1.393 1.00 . A A . 10 LYS HZ2 1 1
9 1626 1 1 10 LYS HZ3 H 12.661 7.557 -0.263 1.00 . A A . 10 LYS HZ3 1 1
9 1627 1 1 10 LYS N N 7.379 9.671 1.722 1.00 . A A . 10 LYS N 1 1
9 1628 1 1 10 LYS NZ N 12.514 6.945 0.565 1.00 . A A . 10 LYS NZ 1 1
9 1629 1 1 10 LYS O O 7.980 12.670 -0.131 1.00 . A A . 10 LYS O 1 1
10 1630 1 1 1 TRP C C 3.247 1.448 -1.043 1.00 . A A . 1 TRP C 1 1
10 1631 1 1 1 TRP CA C 2.473 0.140 -1.171 1.00 . A A . 1 TRP CA 1 1
10 1632 1 1 1 TRP CB C 1.644 0.148 -2.457 1.00 . A A . 1 TRP CB 1 1
10 1633 1 1 1 TRP CD1 C 3.748 -0.490 -3.773 1.00 . A A . 1 TRP CD1 1 1
10 1634 1 1 1 TRP CD2 C 2.074 0.295 -5.037 1.00 . A A . 1 TRP CD2 1 1
10 1635 1 1 1 TRP CE2 C 3.162 -0.016 -5.876 1.00 . A A . 1 TRP CE2 1 1
10 1636 1 1 1 TRP CE3 C 0.905 0.803 -5.611 1.00 . A A . 1 TRP CE3 1 1
10 1637 1 1 1 TRP CG C 2.469 -0.016 -3.697 1.00 . A A . 1 TRP CG 1 1
10 1638 1 1 1 TRP CH2 C 1.959 0.667 -7.790 1.00 . A A . 1 TRP CH2 1 1
10 1639 1 1 1 TRP CZ2 C 3.115 0.167 -7.255 1.00 . A A . 1 TRP CZ2 1 1
10 1640 1 1 1 TRP CZ3 C 0.860 0.985 -6.980 1.00 . A A . 1 TRP CZ3 1 1
10 1641 1 1 1 TRP H1 H 2.004 -0.066 0.883 1.00 . A A . 1 TRP H1 1 1
10 1642 1 1 1 TRP HA H 3.176 -0.678 -1.212 1.00 . A A . 1 TRP HA 1 1
10 1643 1 1 1 TRP HB2 H 0.930 -0.662 -2.422 1.00 . A A . 1 TRP HB2 1 1
10 1644 1 1 1 TRP HB3 H 1.115 1.087 -2.530 1.00 . A A . 1 TRP HB3 1 1
10 1645 1 1 1 TRP HD1 H 4.330 -0.810 -2.923 1.00 . A A . 1 TRP HD1 1 1
10 1646 1 1 1 TRP HE1 H 5.052 -0.788 -5.393 1.00 . A A . 1 TRP HE1 1 1
10 1647 1 1 1 TRP HE3 H 0.048 1.055 -5.004 1.00 . A A . 1 TRP HE3 1 1
10 1648 1 1 1 TRP HH2 H 1.879 0.825 -8.854 1.00 . A A . 1 TRP HH2 1 1
10 1649 1 1 1 TRP HZ2 H 3.953 -0.074 -7.893 1.00 . A A . 1 TRP HZ2 1 1
10 1650 1 1 1 TRP HZ3 H -0.034 1.378 -7.441 1.00 . A A . 1 TRP HZ3 1 1
10 1651 1 1 1 TRP N N 1.610 -0.069 -0.014 1.00 . A A . 1 TRP N 1 1
10 1652 1 1 1 TRP NE1 N 4.171 -0.492 -5.081 1.00 . A A . 1 TRP NE1 1 1
10 1653 1 1 1 TRP O O 2.690 2.475 -0.655 1.00 . A A . 1 TRP O 1 1
10 1654 1 1 2 LYS C C 4.759 3.755 -2.049 1.00 . A A . 2 LYS C 1 1
10 1655 1 1 2 LYS CA C 5.384 2.585 -1.297 1.00 . A A . 2 LYS CA 1 1
10 1656 1 1 2 LYS CB C 6.770 2.278 -1.869 1.00 . A A . 2 LYS CB 1 1
10 1657 1 1 2 LYS CD C 7.111 0.657 0.019 1.00 . A A . 2 LYS CD 1 1
10 1658 1 1 2 LYS CE C 8.121 0.033 0.969 1.00 . A A . 2 LYS CE 1 1
10 1659 1 1 2 LYS CG C 7.747 1.737 -0.840 1.00 . A A . 2 LYS CG 1 1
10 1660 1 1 2 LYS H H 4.920 0.555 -1.676 1.00 . A A . 2 LYS H 1 1
10 1661 1 1 2 LYS HA H 5.485 2.854 -0.256 1.00 . A A . 2 LYS HA 1 1
10 1662 1 1 2 LYS HB2 H 6.667 1.547 -2.657 1.00 . A A . 2 LYS HB2 1 1
10 1663 1 1 2 LYS HB3 H 7.183 3.186 -2.284 1.00 . A A . 2 LYS HB3 1 1
10 1664 1 1 2 LYS HD2 H 6.311 1.094 0.598 1.00 . A A . 2 LYS HD2 1 1
10 1665 1 1 2 LYS HD3 H 6.711 -0.114 -0.625 1.00 . A A . 2 LYS HD3 1 1
10 1666 1 1 2 LYS HE2 H 8.240 -1.009 0.714 1.00 . A A . 2 LYS HE2 1 1
10 1667 1 1 2 LYS HE3 H 9.067 0.542 0.852 1.00 . A A . 2 LYS HE3 1 1
10 1668 1 1 2 LYS HG2 H 8.600 1.318 -1.353 1.00 . A A . 2 LYS HG2 1 1
10 1669 1 1 2 LYS HG3 H 8.070 2.548 -0.202 1.00 . A A . 2 LYS HG3 1 1
10 1670 1 1 2 LYS HZ1 H 7.206 1.046 2.549 1.00 . A A . 2 LYS HZ1 1 1
10 1671 1 1 2 LYS HZ2 H 8.510 0.077 3.020 1.00 . A A . 2 LYS HZ2 1 1
10 1672 1 1 2 LYS HZ3 H 7.029 -0.635 2.619 1.00 . A A . 2 LYS HZ3 1 1
10 1673 1 1 2 LYS N N 4.533 1.403 -1.373 1.00 . A A . 2 LYS N 1 1
10 1674 1 1 2 LYS NZ N 7.686 0.138 2.389 1.00 . A A . 2 LYS NZ 1 1
10 1675 1 1 2 LYS O O 4.711 4.877 -1.543 1.00 . A A . 2 LYS O 1 1
10 1676 1 1 3 LEU C C 2.359 5.009 -3.446 1.00 . A A . 3 LEU C 1 1
10 1677 1 1 3 LEU CA C 3.656 4.518 -4.081 1.00 . A A . 3 LEU CA 1 1
10 1678 1 1 3 LEU CB C 3.377 3.979 -5.485 1.00 . A A . 3 LEU CB 1 1
10 1679 1 1 3 LEU CD1 C 5.867 3.799 -5.716 1.00 . A A . 3 LEU CD1 1 1
10 1680 1 1 3 LEU CD2 C 4.380 2.942 -7.535 1.00 . A A . 3 LEU CD2 1 1
10 1681 1 1 3 LEU CG C 4.556 4.003 -6.459 1.00 . A A . 3 LEU CG 1 1
10 1682 1 1 3 LEU H H 4.347 2.574 -3.608 1.00 . A A . 3 LEU H 1 1
10 1683 1 1 3 LEU HA H 4.345 5.347 -4.152 1.00 . A A . 3 LEU HA 1 1
10 1684 1 1 3 LEU HB2 H 3.050 2.956 -5.387 1.00 . A A . 3 LEU HB2 1 1
10 1685 1 1 3 LEU HB3 H 2.581 4.571 -5.913 1.00 . A A . 3 LEU HB3 1 1
10 1686 1 1 3 LEU HD11 H 5.858 2.835 -5.229 1.00 . A A . 3 LEU HD11 1 1
10 1687 1 1 3 LEU HD12 H 5.986 4.575 -4.975 1.00 . A A . 3 LEU HD12 1 1
10 1688 1 1 3 LEU HD13 H 6.688 3.841 -6.416 1.00 . A A . 3 LEU HD13 1 1
10 1689 1 1 3 LEU HD21 H 3.329 2.724 -7.658 1.00 . A A . 3 LEU HD21 1 1
10 1690 1 1 3 LEU HD22 H 4.902 2.043 -7.243 1.00 . A A . 3 LEU HD22 1 1
10 1691 1 1 3 LEU HD23 H 4.784 3.305 -8.469 1.00 . A A . 3 LEU HD23 1 1
10 1692 1 1 3 LEU HG H 4.595 4.969 -6.944 1.00 . A A . 3 LEU HG 1 1
10 1693 1 1 3 LEU N N 4.280 3.487 -3.259 1.00 . A A . 3 LEU N 1 1
10 1694 1 1 3 LEU O O 1.848 6.074 -3.797 1.00 . A A . 3 LEU O 1 1
10 1695 1 1 4 LEU C C 0.885 5.123 -0.423 1.00 . A A . 4 LEU C 1 1
10 1696 1 1 4 LEU CA C 0.596 4.586 -1.821 1.00 . A A . 4 LEU CA 1 1
10 1697 1 1 4 LEU CB C -0.329 3.371 -1.732 1.00 . A A . 4 LEU CB 1 1
10 1698 1 1 4 LEU CD1 C -2.639 2.486 -1.325 1.00 . A A . 4 LEU CD1 1 1
10 1699 1 1 4 LEU CD2 C -2.187 4.937 -1.112 1.00 . A A . 4 LEU CD2 1 1
10 1700 1 1 4 LEU CG C -1.827 3.658 -1.854 1.00 . A A . 4 LEU CG 1 1
10 1701 1 1 4 LEU H H 2.286 3.393 -2.271 1.00 . A A . 4 LEU H 1 1
10 1702 1 1 4 LEU HA H 0.108 5.358 -2.397 1.00 . A A . 4 LEU HA 1 1
10 1703 1 1 4 LEU HB2 H -0.058 2.690 -2.524 1.00 . A A . 4 LEU HB2 1 1
10 1704 1 1 4 LEU HB3 H -0.159 2.896 -0.777 1.00 . A A . 4 LEU HB3 1 1
10 1705 1 1 4 LEU HD11 H -2.899 1.830 -2.141 1.00 . A A . 4 LEU HD11 1 1
10 1706 1 1 4 LEU HD12 H -3.541 2.855 -0.858 1.00 . A A . 4 LEU HD12 1 1
10 1707 1 1 4 LEU HD13 H -2.054 1.942 -0.597 1.00 . A A . 4 LEU HD13 1 1
10 1708 1 1 4 LEU HD21 H -1.940 4.829 -0.067 1.00 . A A . 4 LEU HD21 1 1
10 1709 1 1 4 LEU HD22 H -3.245 5.126 -1.215 1.00 . A A . 4 LEU HD22 1 1
10 1710 1 1 4 LEU HD23 H -1.631 5.764 -1.531 1.00 . A A . 4 LEU HD23 1 1
10 1711 1 1 4 LEU HG H -2.077 3.793 -2.897 1.00 . A A . 4 LEU HG 1 1
10 1712 1 1 4 LEU N N 1.833 4.229 -2.508 1.00 . A A . 4 LEU N 1 1
10 1713 1 1 4 LEU O O 0.086 5.869 0.143 1.00 . A A . 4 LEU O 1 1
10 1714 1 1 5 SER C C 3.330 6.409 1.380 1.00 . A A . 5 SER C 1 1
10 1715 1 1 5 SER CA C 2.427 5.182 1.459 1.00 . A A . 5 SER CA 1 1
10 1716 1 1 5 SER CB C 3.144 4.054 2.203 1.00 . A A . 5 SER CB 1 1
10 1717 1 1 5 SER H H 2.628 4.144 -0.375 1.00 . A A . 5 SER H 1 1
10 1718 1 1 5 SER HA H 1.530 5.445 2.000 1.00 . A A . 5 SER HA 1 1
10 1719 1 1 5 SER HB2 H 4.065 3.819 1.692 1.00 . A A . 5 SER HB2 1 1
10 1720 1 1 5 SER HB3 H 3.362 4.373 3.211 1.00 . A A . 5 SER HB3 1 1
10 1721 1 1 5 SER HG H 2.804 2.160 1.834 1.00 . A A . 5 SER HG 1 1
10 1722 1 1 5 SER N N 2.033 4.740 0.127 1.00 . A A . 5 SER N 1 1
10 1723 1 1 5 SER O O 3.542 7.105 2.373 1.00 . A A . 5 SER O 1 1
10 1724 1 1 5 SER OG O 2.341 2.887 2.256 1.00 . A A . 5 SER OG 1 1
10 1725 1 1 6 LYS C C 4.083 9.102 0.454 1.00 . A A . 6 LYS C 1 1
10 1726 1 1 6 LYS CA C 4.742 7.811 -0.023 1.00 . A A . 6 LYS CA 1 1
10 1727 1 1 6 LYS CB C 5.108 7.930 -1.504 1.00 . A A . 6 LYS CB 1 1
10 1728 1 1 6 LYS CD C 7.178 6.812 -2.384 1.00 . A A . 6 LYS CD 1 1
10 1729 1 1 6 LYS CE C 6.943 6.785 -3.887 1.00 . A A . 6 LYS CE 1 1
10 1730 1 1 6 LYS CG C 6.600 8.067 -1.753 1.00 . A A . 6 LYS CG 1 1
10 1731 1 1 6 LYS H H 3.655 6.077 -0.565 1.00 . A A . 6 LYS H 1 1
10 1732 1 1 6 LYS HA H 5.642 7.648 0.549 1.00 . A A . 6 LYS HA 1 1
10 1733 1 1 6 LYS HB2 H 4.757 7.049 -2.021 1.00 . A A . 6 LYS HB2 1 1
10 1734 1 1 6 LYS HB3 H 4.614 8.799 -1.916 1.00 . A A . 6 LYS HB3 1 1
10 1735 1 1 6 LYS HD2 H 8.241 6.782 -2.197 1.00 . A A . 6 LYS HD2 1 1
10 1736 1 1 6 LYS HD3 H 6.707 5.946 -1.939 1.00 . A A . 6 LYS HD3 1 1
10 1737 1 1 6 LYS HE2 H 7.347 5.866 -4.284 1.00 . A A . 6 LYS HE2 1 1
10 1738 1 1 6 LYS HE3 H 5.880 6.820 -4.072 1.00 . A A . 6 LYS HE3 1 1
10 1739 1 1 6 LYS HG2 H 6.770 8.902 -2.417 1.00 . A A . 6 LYS HG2 1 1
10 1740 1 1 6 LYS HG3 H 7.097 8.248 -0.810 1.00 . A A . 6 LYS HG3 1 1
10 1741 1 1 6 LYS HZ1 H 6.914 8.716 -4.681 1.00 . A A . 6 LYS HZ1 1 1
10 1742 1 1 6 LYS HZ2 H 7.931 7.649 -5.511 1.00 . A A . 6 LYS HZ2 1 1
10 1743 1 1 6 LYS HZ3 H 8.403 8.273 -4.012 1.00 . A A . 6 LYS HZ3 1 1
10 1744 1 1 6 LYS N N 3.861 6.669 0.190 1.00 . A A . 6 LYS N 1 1
10 1745 1 1 6 LYS NZ N 7.593 7.937 -4.570 1.00 . A A . 6 LYS NZ 1 1
10 1746 1 1 6 LYS O O 4.764 10.076 0.773 1.00 . A A . 6 LYS O 1 1
10 1747 1 1 7 ALA C C 2.297 10.589 2.404 1.00 . A A . 7 ALA C 1 1
10 1748 1 1 7 ALA CA C 2.005 10.270 0.942 1.00 . A A . 7 ALA CA 1 1
10 1749 1 1 7 ALA CB C 0.514 10.050 0.735 1.00 . A A . 7 ALA CB 1 1
10 1750 1 1 7 ALA H H 2.268 8.294 0.233 1.00 . A A . 7 ALA H 1 1
10 1751 1 1 7 ALA HA H 2.308 11.110 0.334 1.00 . A A . 7 ALA HA 1 1
10 1752 1 1 7 ALA HB1 H -0.033 10.518 1.540 1.00 . A A . 7 ALA HB1 1 1
10 1753 1 1 7 ALA HB2 H 0.213 10.485 -0.206 1.00 . A A . 7 ALA HB2 1 1
10 1754 1 1 7 ALA HB3 H 0.305 8.991 0.726 1.00 . A A . 7 ALA HB3 1 1
10 1755 1 1 7 ALA N N 2.755 9.101 0.501 1.00 . A A . 7 ALA N 1 1
10 1756 1 1 7 ALA O O 2.150 11.731 2.841 1.00 . A A . 7 ALA O 1 1
10 1757 1 1 8 GLN C C 4.500 9.502 4.837 1.00 . A A . 8 GLN C 1 1
10 1758 1 1 8 GLN CA C 3.019 9.747 4.570 1.00 . A A . 8 GLN CA 1 1
10 1759 1 1 8 GLN CB C 2.172 8.797 5.420 1.00 . A A . 8 GLN CB 1 1
10 1760 1 1 8 GLN CD C 1.321 6.443 5.762 1.00 . A A . 8 GLN CD 1 1
10 1761 1 1 8 GLN CG C 2.095 7.386 4.861 1.00 . A A . 8 GLN CG 1 1
10 1762 1 1 8 GLN H H 2.805 8.687 2.751 1.00 . A A . 8 GLN H 1 1
10 1763 1 1 8 GLN HA H 2.781 10.765 4.839 1.00 . A A . 8 GLN HA 1 1
10 1764 1 1 8 GLN HB2 H 2.596 8.746 6.412 1.00 . A A . 8 GLN HB2 1 1
10 1765 1 1 8 GLN HB3 H 1.168 9.190 5.486 1.00 . A A . 8 GLN HB3 1 1
10 1766 1 1 8 GLN HE21 H 1.758 4.910 4.574 1.00 . A A . 8 GLN HE21 1 1
10 1767 1 1 8 GLN HE22 H 0.795 4.536 5.958 1.00 . A A . 8 GLN HE22 1 1
10 1768 1 1 8 GLN HG2 H 1.607 7.420 3.898 1.00 . A A . 8 GLN HG2 1 1
10 1769 1 1 8 GLN HG3 H 3.098 7.004 4.742 1.00 . A A . 8 GLN HG3 1 1
10 1770 1 1 8 GLN N N 2.708 9.573 3.156 1.00 . A A . 8 GLN N 1 1
10 1771 1 1 8 GLN NE2 N 1.287 5.168 5.394 1.00 . A A . 8 GLN NE2 1 1
10 1772 1 1 8 GLN O O 4.963 9.617 5.971 1.00 . A A . 8 GLN O 1 1
10 1773 1 1 8 GLN OE1 O 0.760 6.857 6.777 1.00 . A A . 8 GLN OE1 1 1
10 1774 1 1 9 GLU C C 7.481 10.133 3.516 1.00 . A A . 9 GLU C 1 1
10 1775 1 1 9 GLU CA C 6.667 8.902 3.905 1.00 . A A . 9 GLU CA 1 1
10 1776 1 1 9 GLU CB C 7.067 7.715 3.027 1.00 . A A . 9 GLU CB 1 1
10 1777 1 1 9 GLU CD C 8.510 6.101 4.329 1.00 . A A . 9 GLU CD 1 1
10 1778 1 1 9 GLU CG C 8.475 7.208 3.294 1.00 . A A . 9 GLU CG 1 1
10 1779 1 1 9 GLU H H 4.811 9.089 2.905 1.00 . A A . 9 GLU H 1 1
10 1780 1 1 9 GLU HA H 6.873 8.661 4.937 1.00 . A A . 9 GLU HA 1 1
10 1781 1 1 9 GLU HB2 H 6.375 6.904 3.203 1.00 . A A . 9 GLU HB2 1 1
10 1782 1 1 9 GLU HB3 H 7.004 8.012 1.991 1.00 . A A . 9 GLU HB3 1 1
10 1783 1 1 9 GLU HG2 H 8.888 6.830 2.371 1.00 . A A . 9 GLU HG2 1 1
10 1784 1 1 9 GLU HG3 H 9.079 8.031 3.647 1.00 . A A . 9 GLU HG3 1 1
10 1785 1 1 9 GLU N N 5.238 9.164 3.783 1.00 . A A . 9 GLU N 1 1
10 1786 1 1 9 GLU O O 8.306 10.617 4.291 1.00 . A A . 9 GLU O 1 1
10 1787 1 1 9 GLU OE1 O 7.830 5.074 4.122 1.00 . A A . 9 GLU OE1 1 1
10 1788 1 1 9 GLU OE2 O 9.217 6.261 5.346 1.00 . A A . 9 GLU OE2 1 1
10 1789 1 1 10 LYS C C 7.314 13.092 2.342 1.00 . A A . 10 LYS C 1 1
10 1790 1 1 10 LYS CA C 7.951 11.810 1.815 1.00 . A A . 10 LYS CA 1 1
10 1791 1 1 10 LYS CB C 7.956 11.822 0.285 1.00 . A A . 10 LYS CB 1 1
10 1792 1 1 10 LYS CD C 10.145 10.683 -0.185 1.00 . A A . 10 LYS CD 1 1
10 1793 1 1 10 LYS CE C 10.850 10.242 -1.459 1.00 . A A . 10 LYS CE 1 1
10 1794 1 1 10 LYS CG C 8.634 10.610 -0.331 1.00 . A A . 10 LYS CG 1 1
10 1795 1 1 10 LYS H H 6.572 10.206 1.737 1.00 . A A . 10 LYS H 1 1
10 1796 1 1 10 LYS HA H 8.969 11.757 2.169 1.00 . A A . 10 LYS HA 1 1
10 1797 1 1 10 LYS HB2 H 6.935 11.854 -0.066 1.00 . A A . 10 LYS HB2 1 1
10 1798 1 1 10 LYS HB3 H 8.472 12.708 -0.055 1.00 . A A . 10 LYS HB3 1 1
10 1799 1 1 10 LYS HD2 H 10.428 11.702 0.035 1.00 . A A . 10 LYS HD2 1 1
10 1800 1 1 10 LYS HD3 H 10.451 10.039 0.627 1.00 . A A . 10 LYS HD3 1 1
10 1801 1 1 10 LYS HE2 H 10.215 10.467 -2.302 1.00 . A A . 10 LYS HE2 1 1
10 1802 1 1 10 LYS HE3 H 11.776 10.789 -1.550 1.00 . A A . 10 LYS HE3 1 1
10 1803 1 1 10 LYS HG2 H 8.278 9.719 0.165 1.00 . A A . 10 LYS HG2 1 1
10 1804 1 1 10 LYS HG3 H 8.385 10.564 -1.381 1.00 . A A . 10 LYS HG3 1 1
10 1805 1 1 10 LYS HZ1 H 10.277 8.240 -1.620 1.00 . A A . 10 LYS HZ1 1 1
10 1806 1 1 10 LYS HZ2 H 11.544 8.504 -0.532 1.00 . A A . 10 LYS HZ2 1 1
10 1807 1 1 10 LYS HZ3 H 11.835 8.555 -2.197 1.00 . A A . 10 LYS HZ3 1 1
10 1808 1 1 10 LYS N N 7.242 10.635 2.309 1.00 . A A . 10 LYS N 1 1
10 1809 1 1 10 LYS NZ N 11.147 8.783 -1.452 1.00 . A A . 10 LYS NZ 1 1
10 1810 1 1 10 LYS O O 7.829 13.717 3.269 1.00 . A A . 10 LYS O 1 1
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