NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
372741 |
1dft   |
cing | 4-filtered-FRED | STAR | entry | full | 80 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1dft
# This FRED archive file contains, for PDB entry <1dft>:
#
# - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
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.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_1dft
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1dft
_Assembly.Number_of_components 4
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 3353.73
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 $METALLOTHIONEIN_1 A . 1 1
2 . 2 $CADMIUM_ION B . 1 1
3 . 2 $CADMIUM_ION C . 1 1
4 . 2 $CADMIUM_ION D . 1 1
stop_
loop_
_PDBX_nonpoly_scheme.Entity_assembly_ID
_PDBX_nonpoly_scheme.Entity_ID
_PDBX_nonpoly_scheme.Mon_ID
_PDBX_nonpoly_scheme.Comp_index_ID
_PDBX_nonpoly_scheme.Comp_ID
_PDBX_nonpoly_scheme.Entry_ID
_PDBX_nonpoly_scheme.Assembly_ID
2 2 CD 1 CD 1 1
3 2 CD 1 CD 1 1
4 2 CD 1 CD 1 1
stop_
save_
save_METALLOTHIONEIN_1
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "METALLOTHIONEIN 1"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code MDPNCSCSTGGSCTCTSSCACKNCKCTSCK
_Entity.Number_of_monomers 30
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 MET . 1 1
2 ASP . 1 1
3 PRO . 1 1
4 ASN . 1 1
5 CYS . 1 1
6 SER . 1 1
7 CYS . 1 1
8 SER . 1 1
9 THR . 1 1
10 GLY . 1 1
11 GLY . 1 1
12 SER . 1 1
13 CYS . 1 1
14 THR . 1 1
15 CYS . 1 1
16 THR . 1 1
17 SER . 1 1
18 SER . 1 1
19 CYS . 1 1
20 ALA . 1 1
21 CYS . 1 1
22 LYS . 1 1
23 ASN . 1 1
24 CYS . 1 1
25 LYS . 1 1
26 CYS . 1 1
27 THR . 1 1
28 SER . 1 1
29 CYS . 1 1
30 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
MET 1 1 1 1
ASP 2 2 1 1
PRO 3 3 1 1
ASN 4 4 1 1
CYS 5 5 1 1
SER 6 6 1 1
CYS 7 7 1 1
SER 8 8 1 1
THR 9 9 1 1
GLY 10 10 1 1
GLY 11 11 1 1
SER 12 12 1 1
CYS 13 13 1 1
THR 14 14 1 1
CYS 15 15 1 1
THR 16 16 1 1
SER 17 17 1 1
SER 18 18 1 1
CYS 19 19 1 1
ALA 20 20 1 1
CYS 21 21 1 1
LYS 22 22 1 1
ASN 23 23 1 1
CYS 24 24 1 1
LYS 25 25 1 1
CYS 26 26 1 1
THR 27 27 1 1
SER 28 28 1 1
CYS 29 29 1 1
LYS 30 30 1 1
stop_
save_
save_CADMIUM_ION
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "CADMIUM ION"
_Entity.Type non-polymer
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 CD $CD 1 2
stop_
save_
save_CD
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID CD
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type 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
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 MET N . 1 . N 1 1
1 1 2 1 1 2 ASP QB . 2 . HB# 1 1
2 1 1 1 1 1 MET N . 1 . N 1 1
2 1 2 1 1 3 PRO QG . 3 . HG# 1 1
3 1 1 1 1 2 ASP HA . 2 . HA 1 1
3 1 2 1 1 3 PRO QD . 3 . HD# 1 1
4 1 1 1 1 2 ASP HA . 2 . HA 1 1
4 1 2 1 1 3 PRO QG . 3 . HG# 1 1
5 1 1 1 1 2 ASP QB . 2 . HB# 1 1
5 1 2 1 1 3 PRO QD . 3 . HD# 1 1
6 1 1 1 1 3 PRO HA . 3 . HA 1 1
6 1 2 1 1 4 ASN H . 4 . HN 1 1
7 1 1 1 1 3 PRO QD . 3 . HD# 1 1
7 1 2 1 1 3 PRO QG . 3 . HG# 1 1
8 1 1 1 1 3 PRO QD . 3 . HD# 1 1
8 1 2 1 1 4 ASN H . 4 . HN 1 1
9 1 1 1 1 4 ASN H . 4 . HN 1 1
9 1 2 1 1 4 ASN HA . 4 . HA 1 1
10 1 1 1 1 4 ASN H . 4 . HN 1 1
10 1 2 1 1 4 ASN QB . 4 . HB# 1 1
11 1 1 1 1 4 ASN H . 4 . HN 1 1
11 1 2 1 1 4 ASN QD . 4 . HD2# 1 1
12 1 1 1 1 4 ASN HA . 4 . HA 1 1
12 1 2 1 1 4 ASN QB . 4 . HB# 1 1
13 1 1 1 1 4 ASN HA . 4 . HA 1 1
13 1 2 1 1 22 LYS QB . 22 . HB# 1 1
14 1 1 1 1 4 ASN HA . 4 . HA 1 1
14 1 2 1 1 23 ASN H . 23 . HN 1 1
15 1 1 1 1 4 ASN QB . 4 . HB# 1 1
15 1 2 1 1 23 ASN H . 23 . HN 1 1
16 1 1 1 1 5 CYS HA . 5 . HA 1 1
16 1 2 1 1 21 CYS QB . 21 . HB# 1 1
17 1 1 1 1 5 CYS QB . 5 . HB# 1 1
17 1 2 1 1 21 CYS QB . 21 . HB# 1 1
18 1 1 1 1 6 SER H . 6 . HN 1 1
18 1 2 1 1 6 SER HA . 6 . HA 1 1
19 1 1 1 1 6 SER HA . 6 . HA 1 1
19 1 2 1 1 6 SER QB . 6 . HB# 1 1
20 1 1 1 1 6 SER HA . 6 . HA 1 1
20 1 2 1 1 8 SER H . 8 . HN 1 1
21 1 1 1 1 8 SER HA . 8 . HA 1 1
21 1 2 1 1 8 SER QB . 8 . HB# 1 1
22 1 1 1 1 8 SER HA . 8 . HA 1 1
22 1 2 1 1 9 THR H . 9 . HN 1 1
23 1 1 1 1 9 THR H . 9 . HN 1 1
23 1 2 1 1 9 THR HG1 . 9 . HG# 1 1
23 1 2 1 1 9 THR MG . 9 . HG# 1 1
24 1 1 1 1 11 GLY QA . 11 . HA# 1 1
24 1 2 1 1 12 SER H . 12 . HN 1 1
25 1 1 1 1 12 SER HA . 12 . HA 1 1
25 1 2 1 1 12 SER QB . 12 . HB# 1 1
26 1 1 1 1 14 THR HA . 14 . HA 1 1
26 1 2 1 1 15 CYS QB . 15 . HB# 1 1
27 1 1 1 1 15 CYS H . 15 . HN 1 1
27 1 2 1 1 16 THR HG1 . 16 . HG# 1 1
27 1 2 1 1 16 THR MG . 16 . HG# 1 1
28 1 1 1 1 16 THR H . 16 . HN 1 1
28 1 2 1 1 16 THR HG1 . 16 . HG# 1 1
28 1 2 1 1 16 THR MG . 16 . HG# 1 1
29 1 1 1 1 16 THR H . 16 . HN 1 1
29 1 2 1 1 17 SER H . 17 . HN 1 1
30 1 1 1 1 16 THR HA . 16 . HA 1 1
30 1 2 1 1 17 SER H . 17 . HN 1 1
31 1 1 1 1 16 THR HA . 16 . HA 1 1
31 1 2 1 1 18 SER H . 18 . HN 1 1
32 1 1 1 1 16 THR HG1 . 16 . HG# 1 1
32 1 1 1 1 16 THR MG . 16 . HG# 1 1
32 1 2 1 1 17 SER H . 17 . HN 1 1
33 1 1 1 1 16 THR HG1 . 16 . HG# 1 1
33 1 1 1 1 16 THR MG . 16 . HG# 1 1
33 1 2 1 1 18 SER H . 18 . HN 1 1
34 1 1 1 1 17 SER H . 17 . HN 1 1
34 1 2 1 1 18 SER H . 18 . HN 1 1
35 1 1 1 1 17 SER H . 17 . HN 1 1
35 1 2 1 1 18 SER QB . 18 . HB# 1 1
36 1 1 1 1 17 SER HA . 17 . HA 1 1
36 1 2 1 1 17 SER QB . 17 . HB# 1 1
37 1 1 1 1 17 SER QB . 17 . HB# 1 1
37 1 2 1 1 18 SER H . 18 . HN 1 1
38 1 1 1 1 18 SER H . 18 . HN 1 1
38 1 2 1 1 18 SER HA . 18 . HA 1 1
39 1 1 1 1 18 SER H . 18 . HN 1 1
39 1 2 1 1 18 SER QB . 18 . HB# 1 1
40 1 1 1 1 18 SER H . 18 . HN 1 1
40 1 2 1 1 19 CYS H . 19 . HN 1 1
41 1 1 1 1 18 SER HA . 18 . HA 1 1
41 1 2 1 1 19 CYS H . 19 . HN 1 1
42 1 1 1 1 18 SER QB . 18 . HB# 1 1
42 1 2 1 1 19 CYS H . 19 . HN 1 1
43 1 1 1 1 19 CYS H . 19 . HN 1 1
43 1 2 1 1 19 CYS QB . 19 . HB# 1 1
44 1 1 1 1 19 CYS HA . 19 . HA 1 1
44 1 2 1 1 20 ALA H . 20 . HN 1 1
45 1 1 1 1 19 CYS QB . 19 . HB# 1 1
45 1 2 1 1 20 ALA H . 20 . HN 1 1
46 1 1 1 1 20 ALA H . 20 . HN 1 1
46 1 2 1 1 20 ALA HA . 20 . HA 1 1
47 1 1 1 1 20 ALA H . 20 . HN 1 1
47 1 2 1 1 20 ALA MB . 20 . HB# 1 1
48 1 1 1 1 20 ALA H . 20 . HN 1 1
48 1 2 1 1 21 CYS H . 21 . HN 1 1
49 1 1 1 1 21 CYS H . 21 . HN 1 1
49 1 2 1 1 21 CYS QB . 21 . HB# 1 1
50 1 1 1 1 21 CYS QB . 21 . HB# 1 1
50 1 2 1 1 22 LYS QB . 22 . HB# 1 1
51 1 1 1 1 21 CYS QB . 21 . HB# 1 1
51 1 2 1 1 23 ASN QB . 23 . HB# 1 1
52 1 1 1 1 22 LYS H . 22 . HN 1 1
52 1 2 1 1 22 LYS HA . 22 . HA 1 1
53 1 1 1 1 22 LYS H . 22 . HN 1 1
53 1 2 1 1 22 LYS QB . 22 . HB# 1 1
54 1 1 1 1 22 LYS H . 22 . HN 1 1
54 1 2 1 1 22 LYS QG . 22 . HG# 1 1
55 1 1 1 1 22 LYS H . 22 . HN 1 1
55 1 2 1 1 23 ASN H . 23 . HN 1 1
56 1 1 1 1 22 LYS H . 22 . HN 1 1
56 1 2 1 1 24 CYS H . 24 . HN 1 1
57 1 1 1 1 22 LYS HA . 22 . HA 1 1
57 1 2 1 1 23 ASN H . 23 . HN 1 1
58 1 1 1 1 22 LYS QB . 22 . HB# 1 1
58 1 2 1 1 23 ASN H . 23 . HN 1 1
59 1 1 1 1 23 ASN H . 23 . HN 1 1
59 1 2 1 1 23 ASN HA . 23 . HA 1 1
60 1 1 1 1 23 ASN H . 23 . HN 1 1
60 1 2 1 1 24 CYS H . 24 . HN 1 1
61 1 1 1 1 23 ASN QB . 23 . HB# 1 1
61 1 2 1 1 29 CYS HA . 29 . HA 1 1
62 1 1 1 1 25 LYS H . 25 . HN 1 1
62 1 2 1 1 26 CYS H . 26 . HN 1 1
63 1 1 1 1 25 LYS HA . 25 . HA 1 1
63 1 2 1 1 25 LYS QG . 25 . HG# 1 1
64 1 1 1 1 25 LYS HA . 25 . HA 1 1
64 1 2 1 1 26 CYS H . 26 . HN 1 1
65 1 1 1 1 26 CYS H . 26 . HN 1 1
65 1 2 1 1 26 CYS QB . 26 . HB# 1 1
66 1 1 1 1 26 CYS H . 26 . HN 1 1
66 1 2 1 1 27 THR H . 27 . HN 1 1
67 1 1 1 1 26 CYS QB . 26 . HB# 1 1
67 1 2 1 1 27 THR H . 27 . HN 1 1
68 1 1 1 1 26 CYS QB . 26 . HB# 1 1
68 1 2 1 1 29 CYS H . 29 . HN 1 1
69 1 1 1 1 27 THR H . 27 . HN 1 1
69 1 2 1 1 27 THR HG1 . 27 . HG# 1 1
69 1 2 1 1 27 THR MG . 27 . HG# 1 1
70 1 1 1 1 27 THR H . 27 . HN 1 1
70 1 2 1 1 28 SER H . 28 . HN 1 1
71 1 1 1 1 27 THR HA . 27 . HA 1 1
71 1 2 1 1 27 THR HB . 27 . HB# 1 1
72 1 1 1 1 27 THR HA . 27 . HA 1 1
72 1 2 1 1 27 THR HG1 . 27 . HG# 1 1
72 1 2 1 1 27 THR MG . 27 . HG# 1 1
73 1 1 1 1 27 THR HA . 27 . HA 1 1
73 1 2 1 1 29 CYS H . 29 . HN 1 1
74 1 1 1 1 27 THR HB . 27 . HB# 1 1
74 1 2 1 1 27 THR HG1 . 27 . HG# 1 1
74 1 2 1 1 27 THR MG . 27 . HG# 1 1
75 1 1 1 1 27 THR HB . 27 . HB 1 1
75 1 2 1 1 29 CYS H . 29 . HN 1 1
76 1 1 1 1 28 SER H . 28 . HN 1 1
76 1 2 1 1 28 SER QB . 28 . HB# 1 1
77 1 1 1 1 29 CYS H . 29 . HN 1 1
77 1 2 1 1 29 CYS HA . 29 . HA 1 1
78 1 1 1 1 29 CYS H . 29 . HN 1 1
78 1 2 1 1 29 CYS QB . 29 . HB# 1 1
79 1 1 1 1 29 CYS H . 29 . HN 1 1
79 1 2 1 1 30 LYS H . 30 . HN 1 1
80 1 1 1 1 29 CYS QB . 29 . HB# 1 1
80 1 2 1 1 30 LYS H . 30 . HN 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 . . . . . 1.8 1.8 4.9 1 1
2 1 . . . . . 1.8 1.8 4.9 1 1
3 1 . . . . . 1.8 1.8 2.8 1 1
4 1 . . . . . 1.8 1.8 4.4 1 1
5 1 . . . . . 1.8 1.8 4.4 1 1
6 1 . . . . . 1.8 1.8 4.4 1 1
7 1 . . . . . 1.8 1.8 2.8 1 1
8 1 . . . . . 1.8 1.8 4.4 1 1
9 1 . . . . . 1.8 1.8 2.8 1 1
10 1 . . . . . 1.8 1.8 2.4 1 1
11 1 . . . . . 1.8 1.8 2.8 1 1
12 1 . . . . . 1.8 1.8 2.8 1 1
13 1 . . . . . 1.8 1.8 4.4 1 1
14 1 . . . . . 1.8 1.8 4.4 1 1
15 1 . . . . . 1.8 1.8 4.4 1 1
16 1 . . . . . 1.8 1.8 4.4 1 1
17 1 . . . . . 1.8 1.8 4.4 1 1
18 1 . . . . . 1.8 1.8 2.8 1 1
19 1 . . . . . 1.8 1.8 2.8 1 1
20 1 . . . . . 1.8 1.8 4.4 1 1
21 1 . . . . . 1.8 1.8 2.8 1 1
22 1 . . . . . 1.8 1.8 4.4 1 1
23 1 . . . . . 1.8 1.8 4.9 1 1
24 1 . . . . . 1.8 1.8 4.4 1 1
25 1 . . . . . 1.8 1.8 2.8 1 1
26 1 . . . . . 1.8 1.8 4.4 1 1
27 1 . . . . . 1.8 1.8 4.9 1 1
28 1 . . . . . 1.8 1.8 3.3 1 1
29 1 . . . . . 1.8 1.8 4.4 1 1
30 1 . . . . . 1.8 1.8 4.4 1 1
31 1 . . . . . 1.8 1.8 4.4 1 1
32 1 . . . . . 1.8 1.8 4.9 1 1
33 1 . . . . . 1.8 1.8 4.9 1 1
34 1 . . . . . 1.8 1.8 4.4 1 1
35 1 . . . . . 1.8 1.8 4.4 1 1
36 1 . . . . . 1.8 1.8 2.8 1 1
37 1 . . . . . 1.8 1.8 4.4 1 1
38 1 . . . . . 1.8 1.8 2.4 1 1
39 1 . . . . . 1.8 1.8 2.8 1 1
40 1 . . . . . 1.8 1.8 4.4 1 1
41 1 . . . . . 1.8 1.8 2.8 1 1
42 1 . . . . . 1.8 1.8 4.4 1 1
43 1 . . . . . 1.8 1.8 2.8 1 1
44 1 . . . . . 1.8 1.8 2.8 1 1
45 1 . . . . . 1.8 1.8 4.4 1 1
46 1 . . . . . 1.8 1.8 2.8 1 1
47 1 . . . . . 1.8 1.8 3.3 1 1
48 1 . . . . . 1.8 1.8 2.8 1 1
49 1 . . . . . 1.8 1.8 2.4 1 1
50 1 . . . . . 1.8 1.8 4.4 1 1
51 1 . . . . . 1.8 1.8 4.9 1 1
52 1 . . . . . 1.8 1.8 2.8 1 1
53 1 . . . . . 1.8 1.8 2.8 1 1
54 1 . . . . . 1.8 1.8 4.4 1 1
55 1 . . . . . 1.8 1.8 4.4 1 1
56 1 . . . . . 1.8 1.8 4.4 1 1
57 1 . . . . . 1.8 1.8 4.4 1 1
58 1 . . . . . 1.8 1.8 4.4 1 1
59 1 . . . . . 1.8 1.8 2.8 1 1
60 1 . . . . . 1.8 1.8 4.4 1 1
61 1 . . . . . 1.8 1.8 4.4 1 1
62 1 . . . . . 1.8 1.8 4.4 1 1
63 1 . . . . . 1.8 1.8 4.4 1 1
64 1 . . . . . 1.8 1.8 4.4 1 1
65 1 . . . . . 1.8 1.8 2.8 1 1
66 1 . . . . . 1.8 1.8 4.4 1 1
67 1 . . . . . 1.8 1.8 4.4 1 1
68 1 . . . . . 1.8 1.8 4.4 1 1
69 1 . . . . . 1.8 1.8 3.3 1 1
70 1 . . . . . 1.8 1.8 4.4 1 1
71 1 . . . . . 1.8 1.8 2.8 1 1
72 1 . . . . . 1.8 1.8 3.3 1 1
73 1 . . . . . 1.8 1.8 4.4 1 1
74 1 . . . . . 1.8 1.8 3.3 1 1
75 1 . . . . . 1.8 1.8 4.4 1 1
76 1 . . . . . 1.8 1.8 2.8 1 1
77 1 . . . . . 1.8 1.8 2.8 1 1
78 1 . . . . . 1.8 1.8 2.8 1 1
79 1 . . . . . 1.8 1.8 2.8 1 1
80 1 . . . . . 1.8 1.8 4.4 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 MET C C 12.657 1.473 4.003 1.00 . A A . 1 MET C 1 1
1 2 1 1 1 MET CA C 14.136 1.257 4.743 1.00 . A A . 1 MET CA 1 1
1 3 1 1 1 MET CB C 15.436 1.453 3.641 1.00 . A A . 1 MET CB 1 1
1 4 1 1 1 MET CE C 17.734 1.404 7.000 1.00 . A A . 1 MET CE 1 1
1 5 1 1 1 MET CG C 16.957 1.235 4.160 1.00 . A A . 1 MET CG 1 1
1 6 1 1 1 MET H1 H 14.194 -0.971 4.882 1.00 . A A . 1 MET H1 1 1
1 7 1 1 1 MET H2 H 13.505 -0.228 6.246 1.00 . A A . 1 MET H2 1 1
1 8 1 1 1 MET H3 H 15.168 -0.203 6.065 1.00 . A A . 1 MET H3 1 1
1 9 1 1 1 MET HA H 14.220 2.045 5.480 1.00 . A A . 1 MET HA 1 1
1 10 1 1 1 MET HB2 H 15.298 0.729 2.837 1.00 . A A . 1 MET HB2 1 1
1 11 1 1 1 MET HB3 H 15.372 2.445 3.169 1.00 . A A . 1 MET HB3 1 1
1 12 1 1 1 MET HE1 H 18.270 0.477 6.785 1.00 . A A . 1 MET HE1 1 1
1 13 1 1 1 MET HE2 H 16.748 1.171 7.368 1.00 . A A . 1 MET HE2 1 1
1 14 1 1 1 MET HE3 H 18.266 1.963 7.751 1.00 . A A . 1 MET HE3 1 1
1 15 1 1 1 MET HG2 H 17.048 0.211 4.494 1.00 . A A . 1 MET HG2 1 1
1 16 1 1 1 MET HG3 H 17.605 1.330 3.288 1.00 . A A . 1 MET HG3 1 1
1 17 1 1 1 MET N N 14.266 -0.142 5.537 1.00 . A A . 1 MET N 1 1
1 18 1 1 1 MET O O 12.452 2.526 3.359 1.00 . A A . 1 MET O 1 1
1 19 1 1 1 MET SD S 17.600 2.429 5.489 1.00 . A A . 1 MET SD 1 1
1 20 1 1 2 ASP C C 10.323 0.422 1.647 1.00 . A A . 2 ASP C 1 1
1 21 1 1 2 ASP CA C 10.166 0.413 3.331 1.00 . A A . 2 ASP CA 1 1
1 22 1 1 2 ASP CB C 9.212 1.550 4.062 1.00 . A A . 2 ASP CB 1 1
1 23 1 1 2 ASP CG C 7.637 1.440 3.714 1.00 . A A . 2 ASP CG 1 1
1 24 1 1 2 ASP H H 11.811 -0.395 4.545 1.00 . A A . 2 ASP H 1 1
1 25 1 1 2 ASP HA H 9.763 -0.597 3.545 1.00 . A A . 2 ASP HA 1 1
1 26 1 1 2 ASP HB2 H 9.338 1.453 5.146 1.00 . A A . 2 ASP HB2 1 1
1 27 1 1 2 ASP HB3 H 9.601 2.531 3.778 1.00 . A A . 2 ASP HB3 1 1
1 28 1 1 2 ASP N N 11.616 0.442 4.053 1.00 . A A . 2 ASP N 1 1
1 29 1 1 2 ASP O O 9.686 1.282 0.984 1.00 . A A . 2 ASP O 1 1
1 30 1 1 2 ASP OD1 O 6.943 0.633 4.342 1.00 . A A . 2 ASP OD1 1 1
1 31 1 1 2 ASP OD2 O 7.180 2.137 2.809 1.00 . A A . 2 ASP OD2 1 1
1 32 1 1 3 PRO C C 9.942 -1.304 -1.394 1.00 . A A . 3 PRO C 1 1
1 33 1 1 3 PRO CA C 11.331 -0.798 -0.595 1.00 . A A . 3 PRO CA 1 1
1 34 1 1 3 PRO CB C 12.565 -1.820 -0.724 1.00 . A A . 3 PRO CB 1 1
1 35 1 1 3 PRO CD C 11.989 -1.763 1.675 1.00 . A A . 3 PRO CD 1 1
1 36 1 1 3 PRO CG C 12.602 -2.623 0.592 1.00 . A A . 3 PRO CG 1 1
1 37 1 1 3 PRO HA H 11.635 0.167 -1.017 1.00 . A A . 3 PRO HA 1 1
1 38 1 1 3 PRO HB2 H 12.465 -2.500 -1.580 1.00 . A A . 3 PRO HB2 1 1
1 39 1 1 3 PRO HB3 H 13.501 -1.262 -0.850 1.00 . A A . 3 PRO HB3 1 1
1 40 1 1 3 PRO HD2 H 11.337 -2.348 2.333 1.00 . A A . 3 PRO HD2 1 1
1 41 1 1 3 PRO HD3 H 12.773 -1.303 2.276 1.00 . A A . 3 PRO HD3 1 1
1 42 1 1 3 PRO HG2 H 12.026 -3.549 0.493 1.00 . A A . 3 PRO HG2 1 1
1 43 1 1 3 PRO HG3 H 13.626 -2.872 0.866 1.00 . A A . 3 PRO HG3 1 1
1 44 1 1 3 PRO N N 11.155 -0.647 0.993 1.00 . A A . 3 PRO N 1 1
1 45 1 1 3 PRO O O 9.888 -1.120 -2.636 1.00 . A A . 3 PRO O 1 1
1 46 1 1 4 ASN C C 6.542 -1.318 -1.988 1.00 . A A . 4 ASN C 1 1
1 47 1 1 4 ASN CA C 7.446 -2.476 -1.235 1.00 . A A . 4 ASN CA 1 1
1 48 1 1 4 ASN CB C 6.607 -3.337 -0.070 1.00 . A A . 4 ASN CB 1 1
1 49 1 1 4 ASN CG C 6.040 -2.496 1.222 1.00 . A A . 4 ASN CG 1 1
1 50 1 1 4 ASN H H 8.960 -2.040 0.327 1.00 . A A . 4 ASN H 1 1
1 51 1 1 4 ASN HA H 7.717 -3.222 -1.992 1.00 . A A . 4 ASN HA 1 1
1 52 1 1 4 ASN HB2 H 5.778 -3.847 -0.547 1.00 . A A . 4 ASN HB2 1 1
1 53 1 1 4 ASN HB3 H 7.268 -4.121 0.293 1.00 . A A . 4 ASN HB3 1 1
1 54 1 1 4 ASN HD21 H 7.753 -2.392 2.358 1.00 . A A . 4 ASN HD21 1 1
1 55 1 1 4 ASN HD22 H 6.390 -1.585 2.958 1.00 . A A . 4 ASN HD22 1 1
1 56 1 1 4 ASN N N 8.843 -1.932 -0.647 1.00 . A A . 4 ASN N 1 1
1 57 1 1 4 ASN ND2 N 6.794 -2.147 2.271 1.00 . A A . 4 ASN ND2 1 1
1 58 1 1 4 ASN O O 6.158 -1.565 -3.149 1.00 . A A . 4 ASN O 1 1
1 59 1 1 4 ASN OD1 O 4.872 -2.126 1.241 1.00 . A A . 4 ASN OD1 1 1
1 60 1 1 5 CYS C C 5.522 2.686 -1.697 1.00 . A A . 5 CYS C 1 1
1 61 1 1 5 CYS CA C 5.201 1.078 -1.963 1.00 . A A . 5 CYS CA 1 1
1 62 1 1 5 CYS CB C 3.630 0.590 -1.652 1.00 . A A . 5 CYS CB 1 1
1 63 1 1 5 CYS H H 6.453 0.096 -0.365 1.00 . A A . 5 CYS H 1 1
1 64 1 1 5 CYS HA H 5.334 0.993 -3.053 1.00 . A A . 5 CYS HA 1 1
1 65 1 1 5 CYS HB2 H 3.122 0.854 -2.494 1.00 . A A . 5 CYS HB2 1 1
1 66 1 1 5 CYS HB3 H 3.571 -0.500 -1.586 1.00 . A A . 5 CYS HB3 1 1
1 67 1 1 5 CYS HG H 1.683 1.273 -0.571 1.00 . A A . 5 CYS HG 1 1
1 68 1 1 5 CYS N N 6.159 -0.059 -1.301 1.00 . A A . 5 CYS N 1 1
1 69 1 1 5 CYS O O 6.276 3.025 -0.770 1.00 . A A . 5 CYS O 1 1
1 70 1 1 5 CYS SG S 2.585 1.274 -0.300 1.00 . A A . 5 CYS SG 1 1
1 71 1 1 6 SER C C 3.289 5.902 -2.606 1.00 . A A . 6 SER C 1 1
1 72 1 1 6 SER CA C 4.858 5.267 -2.505 1.00 . A A . 6 SER CA 1 1
1 73 1 1 6 SER CB C 5.902 5.771 -3.657 1.00 . A A . 6 SER CB 1 1
1 74 1 1 6 SER H H 4.209 3.268 -3.244 1.00 . A A . 6 SER H 1 1
1 75 1 1 6 SER HA H 5.244 5.579 -1.543 1.00 . A A . 6 SER HA 1 1
1 76 1 1 6 SER HB2 H 5.516 5.513 -4.642 1.00 . A A . 6 SER HB2 1 1
1 77 1 1 6 SER HB3 H 5.989 6.860 -3.592 1.00 . A A . 6 SER HB3 1 1
1 78 1 1 6 SER HG H 7.756 5.305 -4.264 1.00 . A A . 6 SER HG 1 1
1 79 1 1 6 SER N N 4.819 3.649 -2.558 1.00 . A A . 6 SER N 1 1
1 80 1 1 6 SER O O 3.000 6.810 -3.443 1.00 . A A . 6 SER O 1 1
1 81 1 1 6 SER OG O 7.223 5.177 -3.472 1.00 . A A . 6 SER OG 1 1
1 82 1 1 7 CYS C C 0.488 7.427 -0.978 1.00 . A A . 7 CYS C 1 1
1 83 1 1 7 CYS CA C 0.698 5.862 -1.576 1.00 . A A . 7 CYS CA 1 1
1 84 1 1 7 CYS CB C -0.135 4.752 -0.610 1.00 . A A . 7 CYS CB 1 1
1 85 1 1 7 CYS H H 2.586 4.701 -1.036 1.00 . A A . 7 CYS H 1 1
1 86 1 1 7 CYS HA H 0.283 5.868 -2.593 1.00 . A A . 7 CYS HA 1 1
1 87 1 1 7 CYS HB2 H 0.492 4.458 0.208 1.00 . A A . 7 CYS HB2 1 1
1 88 1 1 7 CYS HB3 H -0.983 5.234 -0.161 1.00 . A A . 7 CYS HB3 1 1
1 89 1 1 7 CYS HG H -0.670 2.462 -0.796 1.00 . A A . 7 CYS HG 1 1
1 90 1 1 7 CYS N N 2.284 5.392 -1.683 1.00 . A A . 7 CYS N 1 1
1 91 1 1 7 CYS O O -0.626 7.958 -1.178 1.00 . A A . 7 CYS O 1 1
1 92 1 1 7 CYS SG S -0.790 3.189 -1.417 1.00 . A A . 7 CYS SG 1 1
1 93 1 1 8 SER C C 1.759 9.465 2.149 1.00 . A A . 8 SER C 1 1
1 94 1 1 8 SER CA C 1.625 9.618 0.478 1.00 . A A . 8 SER CA 1 1
1 95 1 1 8 SER CB C 0.537 10.716 -0.096 1.00 . A A . 8 SER CB 1 1
1 96 1 1 8 SER H H 2.398 7.616 -0.125 1.00 . A A . 8 SER H 1 1
1 97 1 1 8 SER HA H 2.618 9.999 0.175 1.00 . A A . 8 SER HA 1 1
1 98 1 1 8 SER HB2 H 0.424 10.582 -1.172 1.00 . A A . 8 SER HB2 1 1
1 99 1 1 8 SER HB3 H -0.433 10.535 0.373 1.00 . A A . 8 SER HB3 1 1
1 100 1 1 8 SER HG H 0.359 12.712 -0.250 1.00 . A A . 8 SER HG 1 1
1 101 1 1 8 SER N N 1.550 8.123 -0.239 1.00 . A A . 8 SER N 1 1
1 102 1 1 8 SER O O 2.616 8.624 2.544 1.00 . A A . 8 SER O 1 1
1 103 1 1 8 SER OG O 0.979 12.082 0.160 1.00 . A A . 8 SER OG 1 1
1 104 1 1 9 THR C C -0.106 10.565 5.703 1.00 . A A . 9 THR C 1 1
1 105 1 1 9 THR CA C 1.253 10.179 4.800 1.00 . A A . 9 THR CA 1 1
1 106 1 1 9 THR CB C 2.568 11.181 5.239 1.00 . A A . 9 THR CB 1 1
1 107 1 1 9 THR CG2 C 3.263 10.837 6.664 1.00 . A A . 9 THR CG2 1 1
1 108 1 1 9 THR H H 0.419 10.987 2.840 1.00 . A A . 9 THR H 1 1
1 109 1 1 9 THR HA H 1.516 9.135 5.033 1.00 . A A . 9 THR HA 1 1
1 110 1 1 9 THR HB H 2.222 12.226 5.294 1.00 . A A . 9 THR HB 1 1
1 111 1 1 9 THR HG1 H 3.559 11.805 3.575 1.00 . A A . 9 THR HG1 1 1
1 112 1 1 9 THR HG21 H 2.538 10.954 7.461 1.00 . A A . 9 THR HG21 1 1
1 113 1 1 9 THR HG22 H 4.090 11.514 6.859 1.00 . A A . 9 THR HG22 1 1
1 114 1 1 9 THR HG23 H 3.636 9.815 6.671 1.00 . A A . 9 THR HG23 1 1
1 115 1 1 9 THR N N 1.038 10.284 3.161 1.00 . A A . 9 THR N 1 1
1 116 1 1 9 THR O O -0.293 9.899 6.732 1.00 . A A . 9 THR O 1 1
1 117 1 1 9 THR OG1 O 3.671 11.124 4.259 1.00 . A A . 9 THR OG1 1 1
1 118 1 1 10 GLY C C -3.344 11.370 6.775 1.00 . A A . 10 GLY C 1 1
1 119 1 1 10 GLY CA C -2.196 12.331 6.112 1.00 . A A . 10 GLY CA 1 1
1 120 1 1 10 GLY H H -0.658 12.225 4.565 1.00 . A A . 10 GLY H 1 1
1 121 1 1 10 GLY HA2 H -1.801 12.944 6.911 1.00 . A A . 10 GLY HA2 1 1
1 122 1 1 10 GLY HA3 H -2.679 13.018 5.415 1.00 . A A . 10 GLY HA3 1 1
1 123 1 1 10 GLY N N -0.934 11.699 5.348 1.00 . A A . 10 GLY N 1 1
1 124 1 1 10 GLY O O -3.001 10.632 7.721 1.00 . A A . 10 GLY O 1 1
1 125 1 1 11 GLY C C -6.329 9.347 6.023 1.00 . A A . 11 GLY C 1 1
1 126 1 1 11 GLY CA C -5.946 10.642 6.903 1.00 . A A . 11 GLY CA 1 1
1 127 1 1 11 GLY H H -4.943 12.095 5.594 1.00 . A A . 11 GLY H 1 1
1 128 1 1 11 GLY HA2 H -5.776 10.358 7.950 1.00 . A A . 11 GLY HA2 1 1
1 129 1 1 11 GLY HA3 H -6.801 11.306 6.900 1.00 . A A . 11 GLY HA3 1 1
1 130 1 1 11 GLY N N -4.715 11.446 6.321 1.00 . A A . 11 GLY N 1 1
1 131 1 1 11 GLY O O -6.273 8.231 6.592 1.00 . A A . 11 GLY O 1 1
1 132 1 1 12 SER C C -6.363 8.227 2.221 1.00 . A A . 12 SER C 1 1
1 133 1 1 12 SER CA C -7.215 8.292 3.648 1.00 . A A . 12 SER CA 1 1
1 134 1 1 12 SER CB C -8.831 8.495 3.409 1.00 . A A . 12 SER CB 1 1
1 135 1 1 12 SER H H -6.774 10.436 4.263 1.00 . A A . 12 SER H 1 1
1 136 1 1 12 SER HA H -7.088 7.321 4.160 1.00 . A A . 12 SER HA 1 1
1 137 1 1 12 SER HB2 H -9.333 8.590 4.373 1.00 . A A . 12 SER HB2 1 1
1 138 1 1 12 SER HB3 H -9.021 9.423 2.842 1.00 . A A . 12 SER HB3 1 1
1 139 1 1 12 SER HG H -10.371 7.509 2.550 1.00 . A A . 12 SER HG 1 1
1 140 1 1 12 SER N N -6.747 9.498 4.646 1.00 . A A . 12 SER N 1 1
1 141 1 1 12 SER O O -6.079 9.302 1.637 1.00 . A A . 12 SER O 1 1
1 142 1 1 12 SER OG O -9.430 7.345 2.721 1.00 . A A . 12 SER OG 1 1
1 143 1 1 13 CYS C C -6.329 5.859 -0.909 1.00 . A A . 13 CYS C 1 1
1 144 1 1 13 CYS CA C -5.322 6.599 0.222 1.00 . A A . 13 CYS CA 1 1
1 145 1 1 13 CYS CB C -3.899 5.780 0.500 1.00 . A A . 13 CYS CB 1 1
1 146 1 1 13 CYS H H -6.365 6.123 2.153 1.00 . A A . 13 CYS H 1 1
1 147 1 1 13 CYS HA H -5.033 7.559 -0.234 1.00 . A A . 13 CYS HA 1 1
1 148 1 1 13 CYS HB2 H -3.342 5.772 -0.420 1.00 . A A . 13 CYS HB2 1 1
1 149 1 1 13 CYS HB3 H -3.307 6.357 1.209 1.00 . A A . 13 CYS HB3 1 1
1 150 1 1 13 CYS HG H -4.124 4.008 2.025 1.00 . A A . 13 CYS HG 1 1
1 151 1 1 13 CYS N N -6.056 6.928 1.651 1.00 . A A . 13 CYS N 1 1
1 152 1 1 13 CYS O O -5.940 5.829 -2.097 1.00 . A A . 13 CYS O 1 1
1 153 1 1 13 CYS SG S -3.947 3.994 1.084 1.00 . A A . 13 CYS SG 1 1
1 154 1 1 14 THR C C -8.285 2.834 -1.468 1.00 . A A . 14 THR C 1 1
1 155 1 1 14 THR CA C -8.700 4.430 -1.381 1.00 . A A . 14 THR CA 1 1
1 156 1 1 14 THR CB C -9.215 5.169 -2.860 1.00 . A A . 14 THR CB 1 1
1 157 1 1 14 THR CG2 C -10.804 5.263 -3.013 1.00 . A A . 14 THR CG2 1 1
1 158 1 1 14 THR H H -7.815 5.257 0.439 1.00 . A A . 14 THR H 1 1
1 159 1 1 14 THR HA H -9.582 4.440 -0.700 1.00 . A A . 14 THR HA 1 1
1 160 1 1 14 THR HB H -8.871 4.560 -3.703 1.00 . A A . 14 THR HB 1 1
1 161 1 1 14 THR HG1 H -7.899 6.516 -3.567 1.00 . A A . 14 THR HG1 1 1
1 162 1 1 14 THR HG21 H -11.210 5.970 -2.295 1.00 . A A . 14 THR HG21 1 1
1 163 1 1 14 THR HG22 H -11.256 4.303 -2.844 1.00 . A A . 14 THR HG22 1 1
1 164 1 1 14 THR HG23 H -11.065 5.588 -4.016 1.00 . A A . 14 THR HG23 1 1
1 165 1 1 14 THR N N -7.591 5.234 -0.518 1.00 . A A . 14 THR N 1 1
1 166 1 1 14 THR O O -8.691 2.104 -0.544 1.00 . A A . 14 THR O 1 1
1 167 1 1 14 THR OG1 O -8.724 6.533 -3.062 1.00 . A A . 14 THR OG1 1 1
1 168 1 1 15 CYS C C -8.421 -0.295 -2.892 1.00 . A A . 15 CYS C 1 1
1 169 1 1 15 CYS CA C -7.029 0.661 -2.781 1.00 . A A . 15 CYS CA 1 1
1 170 1 1 15 CYS CB C -5.912 0.213 -1.584 1.00 . A A . 15 CYS CB 1 1
1 171 1 1 15 CYS H H -7.186 2.861 -3.285 1.00 . A A . 15 CYS H 1 1
1 172 1 1 15 CYS HA H -6.559 0.596 -3.772 1.00 . A A . 15 CYS HA 1 1
1 173 1 1 15 CYS HB2 H -6.218 0.648 -0.643 1.00 . A A . 15 CYS HB2 1 1
1 174 1 1 15 CYS HB3 H -5.936 -0.875 -1.463 1.00 . A A . 15 CYS HB3 1 1
1 175 1 1 15 CYS HG H -3.897 0.447 -2.771 1.00 . A A . 15 CYS HG 1 1
1 176 1 1 15 CYS N N -7.481 2.247 -2.568 1.00 . A A . 15 CYS N 1 1
1 177 1 1 15 CYS O O -8.788 -0.978 -1.899 1.00 . A A . 15 CYS O 1 1
1 178 1 1 15 CYS SG S -4.121 0.689 -1.870 1.00 . A A . 15 CYS SG 1 1
1 179 1 1 16 THR C C -10.613 -2.196 -5.357 1.00 . A A . 16 THR C 1 1
1 180 1 1 16 THR CA C -10.703 -0.886 -4.347 1.00 . A A . 16 THR CA 1 1
1 181 1 1 16 THR CB C -11.780 0.361 -4.785 1.00 . A A . 16 THR CB 1 1
1 182 1 1 16 THR CG2 C -12.064 1.457 -3.627 1.00 . A A . 16 THR CG2 1 1
1 183 1 1 16 THR H H -8.929 0.442 -4.809 1.00 . A A . 16 THR H 1 1
1 184 1 1 16 THR HA H -11.083 -1.313 -3.399 1.00 . A A . 16 THR HA 1 1
1 185 1 1 16 THR HB H -12.744 -0.115 -5.046 1.00 . A A . 16 THR HB 1 1
1 186 1 1 16 THR HG1 H -11.964 1.289 -6.627 1.00 . A A . 16 THR HG1 1 1
1 187 1 1 16 THR HG21 H -12.656 1.012 -2.843 1.00 . A A . 16 THR HG21 1 1
1 188 1 1 16 THR HG22 H -12.603 2.304 -4.033 1.00 . A A . 16 THR HG22 1 1
1 189 1 1 16 THR HG23 H -11.130 1.822 -3.203 1.00 . A A . 16 THR HG23 1 1
1 190 1 1 16 THR N N -9.237 -0.189 -4.086 1.00 . A A . 16 THR N 1 1
1 191 1 1 16 THR O O -10.032 -3.205 -4.897 1.00 . A A . 16 THR O 1 1
1 192 1 1 16 THR OG1 O -11.254 1.066 -5.988 1.00 . A A . 16 THR OG1 1 1
1 193 1 1 17 SER C C -9.686 -3.875 -8.344 1.00 . A A . 17 SER C 1 1
1 194 1 1 17 SER CA C -11.179 -3.506 -7.737 1.00 . A A . 17 SER CA 1 1
1 195 1 1 17 SER CB C -12.248 -3.201 -8.950 1.00 . A A . 17 SER CB 1 1
1 196 1 1 17 SER H H -11.635 -1.413 -7.038 1.00 . A A . 17 SER H 1 1
1 197 1 1 17 SER HA H -11.563 -4.383 -7.190 1.00 . A A . 17 SER HA 1 1
1 198 1 1 17 SER HB2 H -11.957 -2.306 -9.501 1.00 . A A . 17 SER HB2 1 1
1 199 1 1 17 SER HB3 H -12.255 -4.037 -9.654 1.00 . A A . 17 SER HB3 1 1
1 200 1 1 17 SER HG H -13.775 -2.093 -8.173 1.00 . A A . 17 SER HG 1 1
1 201 1 1 17 SER N N -11.186 -2.228 -6.709 1.00 . A A . 17 SER N 1 1
1 202 1 1 17 SER O O -9.427 -5.087 -8.535 1.00 . A A . 17 SER O 1 1
1 203 1 1 17 SER OG O -13.619 -3.019 -8.448 1.00 . A A . 17 SER OG 1 1
1 204 1 1 18 SER C C -6.128 -2.008 -8.591 1.00 . A A . 18 SER C 1 1
1 205 1 1 18 SER CA C -7.257 -3.005 -9.313 1.00 . A A . 18 SER CA 1 1
1 206 1 1 18 SER CB C -7.419 -2.779 -10.925 1.00 . A A . 18 SER CB 1 1
1 207 1 1 18 SER H H -9.013 -1.884 -8.519 1.00 . A A . 18 SER H 1 1
1 208 1 1 18 SER HA H -6.941 -4.033 -9.149 1.00 . A A . 18 SER HA 1 1
1 209 1 1 18 SER HB2 H -8.258 -3.387 -11.285 1.00 . A A . 18 SER HB2 1 1
1 210 1 1 18 SER HB3 H -7.651 -1.728 -11.134 1.00 . A A . 18 SER HB3 1 1
1 211 1 1 18 SER HG H -6.363 -3.143 -12.607 1.00 . A A . 18 SER HG 1 1
1 212 1 1 18 SER N N -8.736 -2.820 -8.676 1.00 . A A . 18 SER N 1 1
1 213 1 1 18 SER O O -6.409 -0.783 -8.464 1.00 . A A . 18 SER O 1 1
1 214 1 1 18 SER OG O -6.218 -3.200 -11.648 1.00 . A A . 18 SER OG 1 1
1 215 1 1 19 CYS C C -2.398 -1.547 -8.509 1.00 . A A . 19 CYS C 1 1
1 216 1 1 19 CYS CA C -3.654 -1.721 -7.436 1.00 . A A . 19 CYS CA 1 1
1 217 1 1 19 CYS CB C -3.259 -2.547 -6.021 1.00 . A A . 19 CYS CB 1 1
1 218 1 1 19 CYS H H -4.710 -3.524 -8.316 1.00 . A A . 19 CYS H 1 1
1 219 1 1 19 CYS HA H -4.015 -0.711 -7.167 1.00 . A A . 19 CYS HA 1 1
1 220 1 1 19 CYS HB2 H -4.171 -2.841 -5.508 1.00 . A A . 19 CYS HB2 1 1
1 221 1 1 19 CYS HB3 H -2.730 -3.470 -6.276 1.00 . A A . 19 CYS HB3 1 1
1 222 1 1 19 CYS HG H -1.505 -2.193 -4.495 1.00 . A A . 19 CYS HG 1 1
1 223 1 1 19 CYS N N -4.870 -2.546 -8.151 1.00 . A A . 19 CYS N 1 1
1 224 1 1 19 CYS O O -2.069 -2.546 -9.204 1.00 . A A . 19 CYS O 1 1
1 225 1 1 19 CYS SG S -2.235 -1.625 -4.744 1.00 . A A . 19 CYS SG 1 1
1 226 1 1 20 ALA C C 0.985 0.228 -8.530 1.00 . A A . 20 ALA C 1 1
1 227 1 1 20 ALA CA C -0.359 -0.007 -9.477 1.00 . A A . 20 ALA CA 1 1
1 228 1 1 20 ALA CB C -0.762 1.154 -10.527 1.00 . A A . 20 ALA CB 1 1
1 229 1 1 20 ALA H H -1.920 0.417 -7.914 1.00 . A A . 20 ALA H 1 1
1 230 1 1 20 ALA HA H -0.125 -0.887 -10.065 1.00 . A A . 20 ALA HA 1 1
1 231 1 1 20 ALA HB1 H -1.019 2.076 -10.011 1.00 . A A . 20 ALA HB1 1 1
1 232 1 1 20 ALA HB2 H -1.607 0.835 -11.126 1.00 . A A . 20 ALA HB2 1 1
1 233 1 1 20 ALA HB3 H 0.071 1.341 -11.198 1.00 . A A . 20 ALA HB3 1 1
1 234 1 1 20 ALA N N -1.662 -0.306 -8.554 1.00 . A A . 20 ALA N 1 1
1 235 1 1 20 ALA O O 1.768 1.206 -8.726 1.00 . A A . 20 ALA O 1 1
1 236 1 1 21 CYS C C 3.265 -2.259 -6.581 1.00 . A A . 21 CYS C 1 1
1 237 1 1 21 CYS CA C 2.460 -0.762 -6.428 1.00 . A A . 21 CYS CA 1 1
1 238 1 1 21 CYS CB C 1.798 -0.470 -4.933 1.00 . A A . 21 CYS CB 1 1
1 239 1 1 21 CYS H H 0.555 -1.487 -7.378 1.00 . A A . 21 CYS H 1 1
1 240 1 1 21 CYS HA H 3.193 0.013 -6.658 1.00 . A A . 21 CYS HA 1 1
1 241 1 1 21 CYS HB2 H 1.089 -1.256 -4.712 1.00 . A A . 21 CYS HB2 1 1
1 242 1 1 21 CYS HB3 H 2.602 -0.594 -4.238 1.00 . A A . 21 CYS HB3 1 1
1 243 1 1 21 CYS HG H 0.042 0.989 -4.303 1.00 . A A . 21 CYS HG 1 1
1 244 1 1 21 CYS N N 1.227 -0.740 -7.484 1.00 . A A . 21 CYS N 1 1
1 245 1 1 21 CYS O O 3.638 -2.580 -7.730 1.00 . A A . 21 CYS O 1 1
1 246 1 1 21 CYS SG S 0.959 1.163 -4.529 1.00 . A A . 21 CYS SG 1 1
1 247 1 1 22 LYS C C 3.196 -5.597 -4.511 1.00 . A A . 22 LYS C 1 1
1 248 1 1 22 LYS CA C 4.194 -4.612 -5.447 1.00 . A A . 22 LYS CA 1 1
1 249 1 1 22 LYS CB C 5.756 -4.426 -4.901 1.00 . A A . 22 LYS CB 1 1
1 250 1 1 22 LYS CD C 8.092 -5.840 -4.304 1.00 . A A . 22 LYS CD 1 1
1 251 1 1 22 LYS CE C 9.134 -7.049 -4.694 1.00 . A A . 22 LYS CE 1 1
1 252 1 1 22 LYS CG C 6.755 -5.691 -5.235 1.00 . A A . 22 LYS CG 1 1
1 253 1 1 22 LYS H H 3.236 -2.857 -4.565 1.00 . A A . 22 LYS H 1 1
1 254 1 1 22 LYS HA H 4.197 -5.001 -6.468 1.00 . A A . 22 LYS HA 1 1
1 255 1 1 22 LYS HB2 H 6.185 -3.534 -5.380 1.00 . A A . 22 LYS HB2 1 1
1 256 1 1 22 LYS HB3 H 5.721 -4.221 -3.828 1.00 . A A . 22 LYS HB3 1 1
1 257 1 1 22 LYS HD2 H 8.658 -4.920 -4.320 1.00 . A A . 22 LYS HD2 1 1
1 258 1 1 22 LYS HD3 H 7.771 -6.021 -3.278 1.00 . A A . 22 LYS HD3 1 1
1 259 1 1 22 LYS HE2 H 9.933 -7.029 -3.965 1.00 . A A . 22 LYS HE2 1 1
1 260 1 1 22 LYS HE3 H 8.631 -8.010 -4.616 1.00 . A A . 22 LYS HE3 1 1
1 261 1 1 22 LYS HG2 H 6.194 -6.621 -5.155 1.00 . A A . 22 LYS HG2 1 1
1 262 1 1 22 LYS HG3 H 7.061 -5.570 -6.273 1.00 . A A . 22 LYS HG3 1 1
1 263 1 1 22 LYS HZ1 H 9.063 -6.921 -6.877 1.00 . A A . 22 LYS HZ1 1 1
1 264 1 1 22 LYS HZ2 H 10.420 -7.725 -6.269 1.00 . A A . 22 LYS HZ2 1 1
1 265 1 1 22 LYS HZ3 H 10.360 -6.034 -6.189 1.00 . A A . 22 LYS HZ3 1 1
1 266 1 1 22 LYS N N 3.516 -3.154 -5.446 1.00 . A A . 22 LYS N 1 1
1 267 1 1 22 LYS NZ N 9.786 -6.911 -6.116 1.00 . A A . 22 LYS NZ 1 1
1 268 1 1 22 LYS O O 2.595 -6.537 -5.072 1.00 . A A . 22 LYS O 1 1
1 269 1 1 23 ASN C C 1.162 -4.893 -1.156 1.00 . A A . 23 ASN C 1 1
1 270 1 1 23 ASN CA C 2.032 -6.037 -2.040 1.00 . A A . 23 ASN CA 1 1
1 271 1 1 23 ASN CB C 2.978 -7.056 -1.129 1.00 . A A . 23 ASN CB 1 1
1 272 1 1 23 ASN CG C 2.185 -8.335 -0.494 1.00 . A A . 23 ASN CG 1 1
1 273 1 1 23 ASN H H 3.503 -4.498 -2.732 1.00 . A A . 23 ASN H 1 1
1 274 1 1 23 ASN HA H 1.306 -6.625 -2.623 1.00 . A A . 23 ASN HA 1 1
1 275 1 1 23 ASN HB2 H 3.786 -7.446 -1.753 1.00 . A A . 23 ASN HB2 1 1
1 276 1 1 23 ASN HB3 H 3.455 -6.496 -0.326 1.00 . A A . 23 ASN HB3 1 1
1 277 1 1 23 ASN HD21 H 1.541 -7.528 1.299 1.00 . A A . 23 ASN HD21 1 1
1 278 1 1 23 ASN HD22 H 1.154 -9.163 1.031 1.00 . A A . 23 ASN HD22 1 1
1 279 1 1 23 ASN N N 3.002 -5.284 -3.089 1.00 . A A . 23 ASN N 1 1
1 280 1 1 23 ASN ND2 N 1.570 -8.331 0.712 1.00 . A A . 23 ASN ND2 1 1
1 281 1 1 23 ASN O O -0.054 -4.878 -1.289 1.00 . A A . 23 ASN O 1 1
1 282 1 1 23 ASN OD1 O 2.089 -9.364 -1.148 1.00 . A A . 23 ASN OD1 1 1
1 283 1 1 24 CYS C C 0.768 -3.259 2.158 1.00 . A A . 24 CYS C 1 1
1 284 1 1 24 CYS CA C 1.250 -2.713 0.662 1.00 . A A . 24 CYS CA 1 1
1 285 1 1 24 CYS CB C -0.010 -1.728 0.093 1.00 . A A . 24 CYS CB 1 1
1 286 1 1 24 CYS H H 2.839 -3.999 -0.273 1.00 . A A . 24 CYS H 1 1
1 287 1 1 24 CYS HA H 2.108 -2.048 0.830 1.00 . A A . 24 CYS HA 1 1
1 288 1 1 24 CYS HB2 H -0.952 -2.146 0.328 1.00 . A A . 24 CYS HB2 1 1
1 289 1 1 24 CYS HB3 H 0.055 -0.801 0.654 1.00 . A A . 24 CYS HB3 1 1
1 290 1 1 24 CYS HG H -0.959 -0.739 -1.753 1.00 . A A . 24 CYS HG 1 1
1 291 1 1 24 CYS N N 1.847 -3.924 -0.300 1.00 . A A . 24 CYS N 1 1
1 292 1 1 24 CYS O O 0.223 -4.381 2.219 1.00 . A A . 24 CYS O 1 1
1 293 1 1 24 CYS SG S -0.143 -1.237 -1.644 1.00 . A A . 24 CYS SG 1 1
1 294 1 1 25 LYS C C -1.173 -1.684 4.903 1.00 . A A . 25 LYS C 1 1
1 295 1 1 25 LYS CA C 0.214 -2.643 4.794 1.00 . A A . 25 LYS CA 1 1
1 296 1 1 25 LYS CB C 1.430 -2.353 5.925 1.00 . A A . 25 LYS CB 1 1
1 297 1 1 25 LYS CD C 2.167 -2.421 8.646 1.00 . A A . 25 LYS CD 1 1
1 298 1 1 25 LYS CE C 2.391 -3.562 9.809 1.00 . A A . 25 LYS CE 1 1
1 299 1 1 25 LYS CG C 1.068 -2.807 7.461 1.00 . A A . 25 LYS CG 1 1
1 300 1 1 25 LYS H H 1.173 -1.422 3.148 1.00 . A A . 25 LYS H 1 1
1 301 1 1 25 LYS HA H -0.101 -3.698 4.873 1.00 . A A . 25 LYS HA 1 1
1 302 1 1 25 LYS HB2 H 2.319 -2.900 5.625 1.00 . A A . 25 LYS HB2 1 1
1 303 1 1 25 LYS HB3 H 1.670 -1.291 5.908 1.00 . A A . 25 LYS HB3 1 1
1 304 1 1 25 LYS HD2 H 3.149 -2.167 8.230 1.00 . A A . 25 LYS HD2 1 1
1 305 1 1 25 LYS HD3 H 1.803 -1.527 9.145 1.00 . A A . 25 LYS HD3 1 1
1 306 1 1 25 LYS HE2 H 2.949 -3.116 10.624 1.00 . A A . 25 LYS HE2 1 1
1 307 1 1 25 LYS HE3 H 1.429 -3.892 10.206 1.00 . A A . 25 LYS HE3 1 1
1 308 1 1 25 LYS HG2 H 0.123 -2.335 7.738 1.00 . A A . 25 LYS HG2 1 1
1 309 1 1 25 LYS HG3 H 0.899 -3.884 7.446 1.00 . A A . 25 LYS HG3 1 1
1 310 1 1 25 LYS HZ1 H 2.707 -5.275 8.489 1.00 . A A . 25 LYS HZ1 1 1
1 311 1 1 25 LYS HZ2 H 3.268 -5.505 10.073 1.00 . A A . 25 LYS HZ2 1 1
1 312 1 1 25 LYS HZ3 H 4.170 -4.539 9.012 1.00 . A A . 25 LYS HZ3 1 1
1 313 1 1 25 LYS N N 0.823 -2.354 3.315 1.00 . A A . 25 LYS N 1 1
1 314 1 1 25 LYS NZ N 3.194 -4.807 9.297 1.00 . A A . 25 LYS NZ 1 1
1 315 1 1 25 LYS O O -1.173 -0.671 5.655 1.00 . A A . 25 LYS O 1 1
1 316 1 1 26 CYS C C -5.020 -1.985 4.449 1.00 . A A . 26 CYS C 1 1
1 317 1 1 26 CYS CA C -3.688 -1.106 3.926 1.00 . A A . 26 CYS CA 1 1
1 318 1 1 26 CYS CB C -3.728 -0.505 2.354 1.00 . A A . 26 CYS CB 1 1
1 319 1 1 26 CYS H H -2.240 -2.765 3.426 1.00 . A A . 26 CYS H 1 1
1 320 1 1 26 CYS HA H -3.656 -0.243 4.625 1.00 . A A . 26 CYS HA 1 1
1 321 1 1 26 CYS HB2 H -3.569 -1.325 1.667 1.00 . A A . 26 CYS HB2 1 1
1 322 1 1 26 CYS HB3 H -4.718 -0.110 2.165 1.00 . A A . 26 CYS HB3 1 1
1 323 1 1 26 CYS HG H -2.430 1.447 2.640 1.00 . A A . 26 CYS HG 1 1
1 324 1 1 26 CYS N N -2.312 -1.986 4.049 1.00 . A A . 26 CYS N 1 1
1 325 1 1 26 CYS O O -4.985 -2.331 5.654 1.00 . A A . 26 CYS O 1 1
1 326 1 1 26 CYS SG S -2.498 0.844 1.898 1.00 . A A . 26 CYS SG 1 1
1 327 1 1 27 THR C C -7.474 -4.668 3.570 1.00 . A A . 27 THR C 1 1
1 328 1 1 27 THR CA C -7.541 -3.115 4.125 1.00 . A A . 27 THR CA 1 1
1 329 1 1 27 THR CB C -8.935 -2.226 3.726 1.00 . A A . 27 THR CB 1 1
1 330 1 1 27 THR CG2 C -9.034 -0.749 4.393 1.00 . A A . 27 THR CG2 1 1
1 331 1 1 27 THR H H -6.209 -2.005 2.678 1.00 . A A . 27 THR H 1 1
1 332 1 1 27 THR HA H -7.523 -3.194 5.220 1.00 . A A . 27 THR HA 1 1
1 333 1 1 27 THR HB H -9.770 -2.789 4.136 1.00 . A A . 27 THR HB 1 1
1 334 1 1 27 THR HG1 H -8.441 -1.885 1.730 1.00 . A A . 27 THR HG1 1 1
1 335 1 1 27 THR HG21 H -8.940 -0.809 5.478 1.00 . A A . 27 THR HG21 1 1
1 336 1 1 27 THR HG22 H -9.989 -0.300 4.159 1.00 . A A . 27 THR HG22 1 1
1 337 1 1 27 THR HG23 H -8.246 -0.121 4.001 1.00 . A A . 27 THR HG23 1 1
1 338 1 1 27 THR N N -6.201 -2.311 3.621 1.00 . A A . 27 THR N 1 1
1 339 1 1 27 THR O O -6.959 -5.511 4.341 1.00 . A A . 27 THR O 1 1
1 340 1 1 27 THR OG1 O -9.218 -2.130 2.272 1.00 . A A . 27 THR OG1 1 1
1 341 1 1 28 SER C C -6.183 -6.843 0.976 1.00 . A A . 28 SER C 1 1
1 342 1 1 28 SER CA C -7.722 -6.571 1.586 1.00 . A A . 28 SER CA 1 1
1 343 1 1 28 SER CB C -8.937 -6.814 0.505 1.00 . A A . 28 SER CB 1 1
1 344 1 1 28 SER H H -8.202 -4.338 1.598 1.00 . A A . 28 SER H 1 1
1 345 1 1 28 SER HA H -7.858 -7.303 2.397 1.00 . A A . 28 SER HA 1 1
1 346 1 1 28 SER HB2 H -9.882 -6.578 0.977 1.00 . A A . 28 SER HB2 1 1
1 347 1 1 28 SER HB3 H -8.814 -6.150 -0.355 1.00 . A A . 28 SER HB3 1 1
1 348 1 1 28 SER HG H -8.583 -8.346 -0.780 1.00 . A A . 28 SER HG 1 1
1 349 1 1 28 SER N N -7.882 -5.057 2.215 1.00 . A A . 28 SER N 1 1
1 350 1 1 28 SER O O -5.923 -7.991 0.530 1.00 . A A . 28 SER O 1 1
1 351 1 1 28 SER OG O -9.026 -8.219 0.078 1.00 . A A . 28 SER OG 1 1
1 352 1 1 29 CYS C C -2.813 -6.893 1.742 1.00 . A A . 29 CYS C 1 1
1 353 1 1 29 CYS CA C -3.570 -5.949 0.582 1.00 . A A . 29 CYS CA 1 1
1 354 1 1 29 CYS CB C -2.964 -4.388 0.383 1.00 . A A . 29 CYS CB 1 1
1 355 1 1 29 CYS H H -5.346 -4.964 1.488 1.00 . A A . 29 CYS H 1 1
1 356 1 1 29 CYS HA H -3.531 -6.491 -0.379 1.00 . A A . 29 CYS HA 1 1
1 357 1 1 29 CYS HB2 H -3.263 -3.775 1.235 1.00 . A A . 29 CYS HB2 1 1
1 358 1 1 29 CYS HB3 H -1.899 -4.417 0.392 1.00 . A A . 29 CYS HB3 1 1
1 359 1 1 29 CYS HG H -4.480 -3.325 -1.104 1.00 . A A . 29 CYS HG 1 1
1 360 1 1 29 CYS N N -5.126 -5.820 1.053 1.00 . A A . 29 CYS N 1 1
1 361 1 1 29 CYS O O -2.501 -8.065 1.422 1.00 . A A . 29 CYS O 1 1
1 362 1 1 29 CYS SG S -3.534 -3.477 -1.182 1.00 . A A . 29 CYS SG 1 1
1 363 1 1 30 LYS C C -2.640 -6.564 5.842 1.00 . A A . 30 LYS C 1 1
1 364 1 1 30 LYS CA C -2.172 -7.274 4.432 1.00 . A A . 30 LYS CA 1 1
1 365 1 1 30 LYS CB C -0.536 -7.637 4.380 1.00 . A A . 30 LYS CB 1 1
1 366 1 1 30 LYS CD C 1.373 -9.577 5.186 1.00 . A A . 30 LYS CD 1 1
1 367 1 1 30 LYS CE C 1.338 -11.192 5.539 1.00 . A A . 30 LYS CE 1 1
1 368 1 1 30 LYS CG C -0.058 -8.808 5.459 1.00 . A A . 30 LYS CG 1 1
1 369 1 1 30 LYS H H -3.071 -5.513 3.301 1.00 . A A . 30 LYS H 1 1
1 370 1 1 30 LYS HA H -2.717 -8.231 4.373 1.00 . A A . 30 LYS HA 1 1
1 371 1 1 30 LYS HB2 H -0.323 -7.987 3.372 1.00 . A A . 30 LYS HB2 1 1
1 372 1 1 30 LYS HB3 H 0.055 -6.740 4.544 1.00 . A A . 30 LYS HB3 1 1
1 373 1 1 30 LYS HD2 H 1.686 -9.472 4.148 1.00 . A A . 30 LYS HD2 1 1
1 374 1 1 30 LYS HD3 H 2.133 -9.112 5.806 1.00 . A A . 30 LYS HD3 1 1
1 375 1 1 30 LYS HE2 H 1.025 -11.335 6.573 1.00 . A A . 30 LYS HE2 1 1
1 376 1 1 30 LYS HE3 H 0.616 -11.693 4.885 1.00 . A A . 30 LYS HE3 1 1
1 377 1 1 30 LYS HG2 H -0.003 -8.333 6.433 1.00 . A A . 30 LYS HG2 1 1
1 378 1 1 30 LYS HG3 H -0.858 -9.554 5.517 1.00 . A A . 30 LYS HG3 1 1
1 379 1 1 30 LYS HZ1 H 2.620 -12.902 5.584 1.00 . A A . 30 LYS HZ1 1 1
1 380 1 1 30 LYS HZ2 H 3.426 -11.487 6.049 1.00 . A A . 30 LYS HZ2 1 1
1 381 1 1 30 LYS HZ3 H 3.098 -11.792 4.390 1.00 . A A . 30 LYS HZ3 1 1
1 382 1 1 30 LYS N N -2.694 -6.423 3.120 1.00 . A A . 30 LYS N 1 1
1 383 1 1 30 LYS NZ N 2.727 -11.880 5.371 1.00 . A A . 30 LYS NZ 1 1
1 384 1 1 30 LYS O O -2.462 -5.355 5.988 1.00 . A A . 30 LYS O 1 1
1 385 1 1 30 LYS OXT O -3.136 -7.272 6.732 1.00 . A A . 30 LYS OXT 1 1
1 386 2 2 1 CD CD CD -2.609 -1.347 -2.247 1.00 . B A . 31 CD CD 1 1
1 387 3 2 1 CD CD CD 0.642 1.159 -1.972 1.00 . C A . 32 CD CD 1 1
1 388 4 2 1 CD CD CD -2.806 2.152 -0.247 1.00 . D A . 33 CD CD 1 1
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