NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
396851 |
1sp1   |
cing | 4-filtered-FRED | STAR | entry | full | 158 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1sp1
# This FRED archive file contains, for PDB entry <1sp1>:
#
# - 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_1sp1
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1sp1
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all other bound"
_Assembly.Molecular_mass 3594.60
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 $SP1F3 A . 1 1
2 . 2 $ZINC_ION B . 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 ZN 1 ZN 1 1
stop_
save_
save_SP1F3
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name SP1F3
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code KKFACPECPKRFMRSDHLSKHIKTHQNKK
_Entity.Number_of_monomers 29
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 LYS . 1 1
2 LYS . 1 1
3 PHE . 1 1
4 ALA . 1 1
5 CYS . 1 1
6 PRO . 1 1
7 GLU . 1 1
8 CYS . 1 1
9 PRO . 1 1
10 LYS . 1 1
11 ARG . 1 1
12 PHE . 1 1
13 MET . 1 1
14 ARG . 1 1
15 SER . 1 1
16 ASP . 1 1
17 HIS . 1 1
18 LEU . 1 1
19 SER . 1 1
20 LYS . 1 1
21 HIS . 1 1
22 ILE . 1 1
23 LYS . 1 1
24 THR . 1 1
25 HIS . 1 1
26 GLN . 1 1
27 ASN . 1 1
28 LYS . 1 1
29 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
LYS 1 1 1 1
LYS 2 2 1 1
PHE 3 3 1 1
ALA 4 4 1 1
CYS 5 5 1 1
PRO 6 6 1 1
GLU 7 7 1 1
CYS 8 8 1 1
PRO 9 9 1 1
LYS 10 10 1 1
ARG 11 11 1 1
PHE 12 12 1 1
MET 13 13 1 1
ARG 14 14 1 1
SER 15 15 1 1
ASP 16 16 1 1
HIS 17 17 1 1
LEU 18 18 1 1
SER 19 19 1 1
LYS 20 20 1 1
HIS 21 21 1 1
ILE 22 22 1 1
LYS 23 23 1 1
THR 24 24 1 1
HIS 25 25 1 1
GLN 26 26 1 1
ASN 27 27 1 1
LYS 28 28 1 1
LYS 29 29 1 1
stop_
save_
save_ZINC_ION
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "ZINC 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 ZN $ZN 1 2
stop_
save_
save_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ZN
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
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
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
122 1 . . . 1 1
123 1 . . . 1 1
124 1 . . . 1 1
125 1 . . . 1 1
126 1 . . . 1 1
127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
130 1 . . . 1 1
131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
135 1 . . . 1 1
136 1 . . . 1 1
137 1 . . . 1 1
138 1 . . . 1 1
139 1 . . . 1 1
140 1 . . . 1 1
141 1 . . . 1 1
142 1 . . . 1 1
143 1 . . . 1 1
144 1 . . . 1 1
145 1 . . . 1 1
146 1 . . . 1 1
147 1 . . . 1 1
148 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 16 ASP H . 16 . HN 1 1
1 1 2 1 1 17 HIS H . 17 . HN 1 1
2 1 1 1 1 15 SER HA . 15 . HA 1 1
2 1 2 1 1 16 ASP H . 16 . HN 1 1
3 1 1 1 1 15 SER QB . 15 . HB* 1 1
3 1 2 1 1 16 ASP H . 16 . HN 1 1
4 1 1 1 1 14 ARG HA . 14 . HA 1 1
4 1 2 1 1 15 SER H . 15 . HN 1 1
5 1 1 1 1 13 MET HA . 13 . HA 1 1
5 1 2 1 1 14 ARG H . 14 . HN 1 1
6 1 1 1 1 17 HIS HA . 17 . HA 1 1
6 1 2 1 1 18 LEU H . 18 . HN 1 1
7 1 1 1 1 18 LEU HA . 18 . HA 1 1
7 1 2 1 1 19 SER H . 19 . HN 1 1
8 1 1 1 1 18 LEU H . 18 . HN 1 1
8 1 2 1 1 19 SER H . 19 . HN 1 1
9 1 1 1 1 19 SER H . 19 . HN 1 1
9 1 2 1 1 20 LYS H . 20 . HN 1 1
10 1 1 1 1 10 LYS HA . 10 . HA 1 1
10 1 2 1 1 11 ARG H . 11 . HN 1 1
11 1 1 1 1 19 SER QB . 19 . HB* 1 1
11 1 2 1 1 20 LYS H . 20 . HN 1 1
12 1 1 1 1 16 ASP HA . 16 . HA 1 1
12 1 2 1 1 19 SER H . 19 . HN 1 1
13 1 1 1 1 17 HIS HA . 17 . HA 1 1
13 1 2 1 1 20 LYS H . 20 . HN 1 1
14 1 1 1 1 20 LYS H . 20 . HN 1 1
14 1 2 1 1 21 HIS H . 21 . HN 1 1
15 1 1 1 1 21 HIS H . 21 . HN 1 1
15 1 2 1 1 22 ILE H . 22 . HN 1 1
16 1 1 1 1 22 ILE H . 22 . HN 1 1
16 1 2 1 1 23 LYS H . 23 . HN 1 1
17 1 1 1 1 20 LYS HA . 20 . HA 1 1
17 1 2 1 1 21 HIS H . 21 . HN 1 1
18 1 1 1 1 21 HIS HA . 21 . HA 1 1
18 1 2 1 1 22 ILE H . 22 . HN 1 1
19 1 1 1 1 19 SER HA . 19 . HA 1 1
19 1 2 1 1 22 ILE H . 22 . HN 1 1
20 1 1 1 1 18 LEU HA . 18 . HA 1 1
20 1 2 1 1 21 HIS H . 21 . HN 1 1
21 1 1 1 1 23 LYS H . 23 . HN 1 1
21 1 2 1 1 24 THR H . 24 . HN 1 1
22 1 1 1 1 23 LYS HA . 23 . HA 1 1
22 1 2 1 1 24 THR H . 24 . HN 1 1
23 1 1 1 1 22 ILE HA . 22 . HA 1 1
23 1 2 1 1 25 HIS H . 25 . HN 1 1
24 1 1 1 1 21 HIS HA . 21 . HA 1 1
24 1 2 1 1 24 THR H . 24 . HN 1 1
25 1 1 1 1 28 LYS H . 28 . HN 1 1
25 1 2 1 1 28 LYS HA . 28 . HA 1 1
26 1 1 1 1 28 LYS HA . 28 . HA 1 1
26 1 2 1 1 29 LYS H . 29 . HN 1 1
27 1 1 1 1 11 ARG H . 11 . HN 1 1
27 1 2 1 1 11 ARG HA . 11 . HA 1 1
28 1 1 1 1 24 THR H . 24 . HN 1 1
28 1 2 1 1 25 HIS H . 25 . HN 1 1
29 1 1 1 1 25 HIS H . 25 . HN 1 1
29 1 2 1 1 26 GLN H . 26 . HN 1 1
30 1 1 1 1 26 GLN H . 26 . HN 1 1
30 1 2 1 1 27 ASN H . 27 . HN 1 1
31 1 1 1 1 7 GLU H . 7 . HN 1 1
31 1 2 1 1 8 CYS H . 8 . HN 1 1
32 1 1 1 1 13 MET H . 13 . HN 1 1
32 1 2 1 1 14 ARG H . 14 . HN 1 1
33 1 1 1 1 4 ALA MB . 4 . HB* 1 1
33 1 2 1 1 5 CYS H . 5 . HN 1 1
34 1 1 1 1 6 PRO HA . 6 . HA 1 1
34 1 2 1 1 7 GLU H . 7 . HN 1 1
35 1 1 1 1 6 PRO QD . 6 . HD* 1 1
35 1 2 1 1 7 GLU H . 7 . HN 1 1
36 1 1 1 1 6 PRO QB . 6 . HB* 1 1
36 1 2 1 1 7 GLU H . 7 . HN 1 1
37 1 1 1 1 7 GLU HA . 7 . HA 1 1
37 1 2 1 1 8 CYS H . 8 . HN 1 1
38 1 1 1 1 27 ASN HA . 27 . HA 1 1
38 1 2 1 1 28 LYS H . 28 . HN 1 1
39 1 1 1 1 2 LYS HA . 2 . HA 1 1
39 1 2 1 1 3 PHE H . 3 . HN 1 1
40 1 1 1 1 26 GLN HA . 26 . HA 1 1
40 1 2 1 1 27 ASN H . 27 . HN 1 1
41 1 1 1 1 9 PRO HA . 9 . HA 1 1
41 1 2 1 1 10 LYS H . 10 . HN 1 1
42 1 1 1 1 25 HIS HA . 25 . HA 1 1
42 1 2 1 1 26 GLN H . 26 . HN 1 1
43 1 1 1 1 12 PHE QB . 12 . HB* 1 1
43 1 2 1 1 13 MET H . 13 . HN 1 1
44 1 1 1 1 22 ILE HA . 22 . HA 1 1
44 1 2 1 1 24 THR H . 24 . HN 1 1
45 1 1 1 1 4 ALA HA . 4 . HA 1 1
45 1 2 1 1 12 PHE H . 12 . HN 1 1
46 1 1 1 1 21 HIS HB2 . 21 . HB2 1 1
46 1 2 1 1 22 ILE H . 22 . HN 1 1
47 1 1 1 1 21 HIS HB3 . 21 . HB1 1 1
47 1 2 1 1 22 ILE H . 22 . HN 1 1
48 1 1 1 1 12 PHE HZ . 12 . HZ 1 1
48 1 2 1 1 21 HIS QB . 21 . HB* 1 1
49 1 1 1 1 22 ILE HA . 22 . HA 1 1
49 1 2 1 1 25 HIS HD2 . 25 . HD2 1 1
50 1 1 1 1 23 LYS HA . 23 . HA 1 1
50 1 2 1 1 25 HIS H . 25 . HN 1 1
51 1 1 1 1 24 THR HA . 24 . HA 1 1
51 1 2 1 1 25 HIS H . 25 . HN 1 1
52 1 1 1 1 22 ILE MD . 22 . HD1* 1 1
52 1 2 1 1 25 HIS HD2 . 25 . HD2 1 1
53 1 1 1 1 22 ILE MG . 22 . HG2* 1 1
53 1 2 1 1 25 HIS HD2 . 25 . HD2 1 1
54 1 1 1 1 22 ILE QG . 22 . HG1* 1 1
54 1 2 1 1 25 HIS HD2 . 25 . HD2 1 1
55 1 1 1 1 22 ILE HB . 22 . HB* 1 1
55 1 2 1 1 25 HIS HD2 . 25 . HD2 1 1
56 1 1 1 1 7 GLU QB . 7 . HB* 1 1
56 1 2 1 1 25 HIS HD2 . 25 . HD2 1 1
57 1 1 1 1 7 GLU QB . 7 . HB* 1 1
57 1 2 1 1 8 CYS H . 8 . HN 1 1
58 1 1 1 1 7 GLU QB . 7 . HB* 1 1
58 1 2 1 1 25 HIS HE1 . 25 . HE1 1 1
59 1 1 1 1 10 LYS QB . 10 . HB* 1 1
59 1 2 1 1 12 PHE HZ . 12 . HZ 1 1
60 1 1 1 1 10 LYS QG . 10 . HG* 1 1
60 1 2 1 1 12 PHE HZ . 12 . HZ 1 1
61 1 1 1 1 10 LYS QD . 10 . HD* 1 1
61 1 2 1 1 12 PHE HZ . 12 . HZ 1 1
62 1 1 1 1 10 LYS QG . 10 . HG* 1 1
62 1 2 1 1 11 ARG H . 11 . HN 1 1
63 1 1 1 1 10 LYS QB . 10 . HB* 1 1
63 1 2 1 1 11 ARG H . 11 . HN 1 1
64 1 1 1 1 10 LYS QD . 10 . HD* 1 1
64 1 2 1 1 11 ARG H . 11 . HN 1 1
65 1 1 1 1 10 LYS QB . 10 . HB* 1 1
65 1 2 1 1 12 PHE QE . 12 . HE* 1 1
66 1 1 1 1 10 LYS QD . 10 . HD* 1 1
66 1 2 1 1 12 PHE QE . 12 . HE* 1 1
67 1 1 1 1 12 PHE QD . 12 . HD* 1 1
67 1 2 1 1 18 LEU QB . 18 . HB* 1 1
68 1 1 1 1 12 PHE QD . 12 . HD* 1 1
68 1 2 1 1 18 LEU HG . 18 . HG 1 1
69 1 1 1 1 12 PHE QD . 12 . HD* 1 1
69 1 2 1 1 18 LEU QD . 18 . HD* 1 1
70 1 1 1 1 2 LYS QB . 2 . HB* 1 1
70 1 2 1 1 3 PHE QD . 3 . HD* 1 1
71 1 1 1 1 3 PHE QE . 3 . HE* 1 1
71 1 2 1 1 15 SER HA . 15 . HA 1 1
72 1 1 1 1 3 PHE QE . 3 . HE* 1 1
72 1 2 1 1 15 SER QB . 15 . HB* 1 1
73 1 1 1 1 3 PHE QD . 3 . HD* 1 1
73 1 2 1 1 15 SER H . 15 . HN 1 1
74 1 1 1 1 3 PHE QE . 3 . HE* 1 1
74 1 2 1 1 15 SER H . 15 . HN 1 1
75 1 1 1 1 3 PHE QD . 3 . HD* 1 1
75 1 2 1 1 13 MET HA . 13 . HA 1 1
76 1 1 1 1 2 LYS HA . 2 . HA 1 1
76 1 2 1 1 3 PHE QD . 3 . HD* 1 1
77 1 1 1 1 5 CYS H . 5 . HN 1 1
77 1 2 1 1 21 HIS HD2 . 21 . HD2 1 1
78 1 1 1 1 5 CYS H . 5 . HN 1 1
78 1 2 1 1 12 PHE QE . 12 . HE* 1 1
79 1 1 1 1 5 CYS H . 5 . HN 1 1
79 1 2 1 1 12 PHE QD . 12 . HD* 1 1
80 1 1 1 1 22 ILE H . 22 . HN 1 1
80 1 2 1 1 25 HIS HD2 . 25 . HD2 1 1
81 1 1 1 1 12 PHE HZ . 12 . HZ 1 1
81 1 2 1 1 21 HIS HD2 . 21 . HD2 1 1
82 1 1 1 1 21 HIS HD2 . 21 . HD2 1 1
82 1 2 1 1 25 HIS HD2 . 25 . HD2 1 1
83 1 1 1 1 12 PHE HZ . 12 . HZ 1 1
83 1 2 1 1 21 HIS HE1 . 21 . HE1 1 1
84 1 1 1 1 12 PHE QE . 12 . HE* 1 1
84 1 2 1 1 21 HIS HD2 . 21 . HD2 1 1
85 1 1 1 1 10 LYS H . 10 . HN 1 1
85 1 2 1 1 11 ARG H . 11 . HN 1 1
86 1 1 1 1 10 LYS H . 10 . HN 1 1
86 1 2 1 1 12 PHE QE . 12 . HE* 1 1
87 1 1 1 1 12 PHE QE . 12 . HE* 1 1
87 1 2 1 1 21 HIS HE1 . 21 . HE1 1 1
88 1 1 1 1 8 CYS QB . 8 . HB* 1 1
88 1 2 1 1 25 HIS HE1 . 25 . HE1 1 1
89 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1
89 1 2 1 1 21 HIS HD2 . 21 . HD2 1 1
90 1 1 1 1 5 CYS HB2 . 5 . HB2 1 1
90 1 2 1 1 21 HIS HD2 . 21 . HD2 1 1
91 1 1 1 1 21 HIS HD2 . 21 . HD2 1 1
91 1 2 1 1 22 ILE HA . 22 . HA 1 1
92 1 1 1 1 5 CYS HB2 . 5 . HB2 1 1
92 1 2 1 1 8 CYS H . 8 . HN 1 1
93 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1
93 1 2 1 1 8 CYS H . 8 . HN 1 1
94 1 1 1 1 3 PHE QE . 3 . HE* 1 1
94 1 2 1 1 14 ARG HA . 14 . HA 1 1
95 1 1 1 1 22 ILE MD . 22 . HD1* 1 1
95 1 2 1 1 23 LYS H . 23 . HN 1 1
96 1 1 1 1 22 ILE MG . 22 . HG2* 1 1
96 1 2 1 1 23 LYS H . 23 . HN 1 1
97 1 1 1 1 22 ILE HA . 22 . HA 1 1
97 1 2 1 1 23 LYS H . 23 . HN 1 1
98 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1
98 1 2 1 1 12 PHE QE . 12 . HE* 1 1
99 1 1 1 1 12 PHE QE . 12 . HE* 1 1
99 1 2 1 1 21 HIS QB . 21 . HB* 1 1
100 1 1 1 1 12 PHE QE . 12 . HE* 1 1
100 1 2 1 1 21 HIS HB2 . 21 . HB2 1 1
101 1 1 1 1 5 CYS HB2 . 5 . HB2 1 1
101 1 2 1 1 12 PHE QE . 12 . HE* 1 1
102 1 1 1 1 12 PHE QE . 12 . HE* 1 1
102 1 2 1 1 18 LEU HA . 18 . HA 1 1
103 1 1 1 1 12 PHE QD . 12 . HD* 1 1
103 1 2 1 1 18 LEU HA . 18 . HA 1 1
104 1 1 1 1 12 PHE QE . 12 . HE* 1 1
104 1 2 1 1 21 HIS HB3 . 21 . HB1 1 1
105 1 1 1 1 20 LYS QB . 20 . HB* 1 1
105 1 2 1 1 21 HIS H . 21 . HN 1 1
106 1 1 1 1 20 LYS QG . 20 . HG* 1 1
106 1 2 1 1 21 HIS H . 21 . HN 1 1
107 1 1 1 1 14 ARG QG . 14 . HG* 1 1
107 1 2 1 1 16 ASP H . 16 . HN 1 1
108 1 1 1 1 14 ARG QG . 14 . HG* 1 1
108 1 2 1 1 15 SER H . 15 . HN 1 1
109 1 1 1 1 25 HIS QB . 25 . HB* 1 1
109 1 2 1 1 26 GLN H . 26 . HN 1 1
110 1 1 1 1 8 CYS QB . 8 . HB* 1 1
110 1 2 1 1 9 PRO QD . 9 . HD* 1 1
111 1 1 1 1 16 ASP HA . 16 . HA 1 1
111 1 2 1 1 19 SER QB . 19 . HB* 1 1
112 1 1 1 1 15 SER HA . 15 . HA 1 1
112 1 2 1 1 18 LEU HG . 18 . HG 1 1
113 1 1 1 1 15 SER HA . 15 . HA 1 1
113 1 2 1 1 18 LEU QD . 18 . HD* 1 1
114 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1
114 1 2 1 1 18 LEU QD . 18 . HD* 1 1
115 1 1 1 1 19 SER HA . 19 . HA 1 1
115 1 2 1 1 22 ILE HB . 22 . HB* 1 1
116 1 1 1 1 19 SER HA . 19 . HA 1 1
116 1 2 1 1 22 ILE MD . 22 . HD1* 1 1
117 1 1 1 1 21 HIS HA . 21 . HA 1 1
117 1 2 1 1 24 THR HG1 . 24 . HG* 1 1
117 1 2 1 1 24 THR MG . 24 . HG* 1 1
118 1 1 1 1 18 LEU HA . 18 . HA 1 1
118 1 2 1 1 21 HIS HB3 . 21 . HB1 1 1
119 1 1 1 1 15 SER HA . 15 . HA 1 1
119 1 2 1 1 18 LEU QB . 18 . HB* 1 1
120 1 1 1 1 18 LEU HA . 18 . HA 1 1
120 1 2 1 1 21 HIS HB2 . 21 . HB2 1 1
121 1 1 1 1 21 HIS HD2 . 21 . HD2 1 1
121 1 2 1 1 22 ILE QG . 22 . HG1* 1 1
122 1 1 1 1 21 HIS HD2 . 21 . HD2 1 1
122 1 2 1 1 22 ILE MD . 22 . HD1* 1 1
123 1 1 1 1 11 ARG QB . 11 . HB* 1 1
123 1 2 1 1 12 PHE H . 12 . HN 1 1
124 1 1 1 1 15 SER HA . 15 . HA 1 1
124 1 2 1 1 18 LEU H . 18 . HN 1 1
125 1 1 1 1 15 SER HA . 15 . HA 1 1
125 1 2 1 1 19 SER H . 19 . HN 1 1
126 1 1 1 1 10 LYS QE . 10 . HE* 1 1
126 1 2 1 1 11 ARG H . 11 . HN 1 1
127 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1
127 1 2 1 1 10 LYS H . 10 . HN 1 1
128 1 1 1 1 9 PRO QB . 9 . HB* 1 1
128 1 2 1 1 10 LYS H . 10 . HN 1 1
129 1 1 1 1 9 PRO QD . 9 . HD* 1 1
129 1 2 1 1 10 LYS H . 10 . HN 1 1
130 1 1 1 1 27 ASN QB . 27 . HB* 1 1
130 1 2 1 1 28 LYS H . 28 . HN 1 1
131 1 1 1 1 5 CYS H . 5 . HN 1 1
131 1 2 1 1 18 LEU QD . 18 . HD* 1 1
132 1 1 1 1 5 CYS H . 5 . HN 1 1
132 1 2 1 1 22 ILE QG . 22 . HG1* 1 1
133 1 1 1 1 26 GLN QB . 26 . HB* 1 1
133 1 2 1 1 27 ASN H . 27 . HN 1 1
134 1 1 1 1 18 LEU QB . 18 . HB* 1 1
134 1 2 1 1 19 SER H . 19 . HN 1 1
135 1 1 1 1 7 GLU QG . 7 . HG* 1 1
135 1 2 1 1 8 CYS H . 8 . HN 1 1
136 1 1 1 1 23 LYS HA . 23 . HA 1 1
136 1 2 1 1 26 GLN H . 26 . HN 1 1
137 1 1 1 1 24 THR HA . 24 . HA 1 1
137 1 2 1 1 26 GLN H . 26 . HN 1 1
138 1 1 1 1 22 ILE HB . 22 . HB* 1 1
138 1 2 1 1 23 LYS H . 23 . HN 1 1
139 1 1 1 1 24 THR MG . 24 . HG2* 1 1
139 1 2 1 1 25 HIS H . 25 . HN 1 1
140 1 1 1 1 2 LYS QB . 2 . HB* 1 1
140 1 2 1 1 3 PHE H . 3 . HN 1 1
141 1 1 1 1 2 LYS QB . 2 . HB* 1 1
141 1 2 1 1 3 PHE QE . 3 . HE* 1 1
142 1 1 1 1 2 LYS QD . 2 . HD* 1 1
142 1 2 1 1 3 PHE QE . 3 . HE* 1 1
143 1 1 1 1 2 LYS QD . 2 . HD* 1 1
143 1 2 1 1 3 PHE QD . 3 . HD* 1 1
144 1 1 1 1 18 LEU HG . 18 . HG 1 1
144 1 2 1 1 19 SER H . 19 . HN 1 1
145 1 1 1 1 3 PHE QD . 3 . HD* 1 1
145 1 2 1 1 18 LEU QB . 18 . HB* 1 1
146 1 1 1 1 4 ALA H . 4 . HN 1 1
146 1 2 1 1 18 LEU QD . 18 . HD* 1 1
147 1 1 1 1 3 PHE QD . 3 . HD* 1 1
147 1 2 1 1 18 LEU QD . 18 . HD* 1 1
148 1 1 1 1 3 PHE QB . 3 . HB* 1 1
148 1 2 1 1 18 LEU QD . 18 . HD* 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.821 2.343 3.299 1 1
2 1 . . . . . 3.708 2.883 4.533 1 1
3 1 . . . . . 3.611 2.028 5.194 1 1
4 1 . . . . . 2.641 2.223 3.059 1 1
5 1 . . . . . 3.382 2.696 4.068 1 1
6 1 . . . . . 3.258 2.621 3.895 1 1
7 1 . . . . . 3.406 2.71 4.102 1 1
8 1 . . . . . 2.743 2.292 3.194 1 1
9 1 . . . . . 2.838 2.355 3.321 1 1
10 1 . . . . . 2.342 2.013 2.671 1 1
11 1 . . . . . 3.002 1.661 4.343 1 1
12 1 . . . . . 3.005 2.463 3.547 1 1
13 1 . . . . . 3.074 2.507 3.641 1 1
14 1 . . . . . 3.153 2.556 3.75 1 1
15 1 . . . . . 2.821 2.343 3.299 1 1
16 1 . . . . . 2.765 2.306 3.224 1 1
17 1 . . . . . 3.214 2.594 3.834 1 1
18 1 . . . . . 3.142 2.55 3.734 1 1
19 1 . . . . . 3.042 2.487 3.597 1 1
20 1 . . . . . 3.217 2.596 3.838 1 1
21 1 . . . . . 3.38 2.695 4.065 1 1
22 1 . . . . . 2.84 2.356 3.324 1 1
23 1 . . . . . 3.516 2.774 4.258 1 1
24 1 . . . . . 3.736 2.898 4.574 1 1
25 1 . . . . . 2.823 2.345 3.301 1 1
26 1 . . . . . 2.415 2.065 2.765 1 1
27 1 . . . . . 3.208 2.591 3.825 1 1
28 1 . . . . . 2.763 2.305 3.221 1 1
29 1 . . . . . 2.86 2.369 3.351 1 1
30 1 . . . . . 3.012 2.468 3.556 1 1
31 1 . . . . . 2.53 2.146 2.914 1 1
32 1 . . . . . 3.253 2.618 3.888 1 1
33 1 . . . . . 3.122 2.537 3.707 1 1
34 1 . . . . . 3.652 2.852 4.452 1 1
35 1 . . . . . 3.34 1.87 4.81 1 1
36 1 . . . . . 2.737 1.487 3.987 1 1
37 1 . . . . . 2.906 2.399 3.413 1 1
38 1 . . . . . 2.614 2.204 3.024 1 1
39 1 . . . . . 2.543 2.155 2.931 1 1
40 1 . . . . . 2.551 2.161 2.941 1 1
41 1 . . . . . 3.355 2.68 4.03 1 1
42 1 . . . . . 2.904 2.398 3.41 1 1
43 1 . . . . . 4.134 2.309 5.959 1 1
44 1 . . . . . 3.474 2.75 4.198 1 1
45 1 . . . . . 4.14 3.111 5.169 1 1
46 1 . . . . . 3.361 2.683 4.039 1 1
47 1 . . . . . 3.018 2.471 3.565 1 1
48 1 . . . . . 3.028 1.77 4.378 1 1
49 1 . . . . . 2.411 2.062 2.76 1 1
50 1 . . . . . 3.144 2.551 3.737 1 1
51 1 . . . . . 3.053 2.494 3.612 1 1
52 1 . . . . . 3.765 1.914 5.616 1 1
53 1 . . . . . 3.425 1.721 5.129 1 1
54 1 . . . . . 2.787 1.642 4.053 1 1
55 1 . . . . . 3.327 1.863 4.791 1 1
56 1 . . . . . 2.897 1.594 4.2 1 1
57 1 . . . . . 2.787 1.521 4.053 1 1
58 1 . . . . . 3.097 1.721 4.473 1 1
59 1 . . . . . 3.101 1.724 4.478 1 1
60 1 . . . . . 2.85 1.563 4.137 1 1
61 1 . . . . . 2.685 1.452 3.918 1 1
62 1 . . . . . 2.832 1.551 4.113 1 1
63 1 . . . . . 2.83 1.549 4.111 1 1
64 1 . . . . . 2.563 1.369 3.757 1 1
65 1 . . . . . 2.901 -0.404 6.206 1 1
66 1 . . . . . 2.803 -0.469 6.075 1 1
67 1 . . . . . 3.275 -0.169 6.719 1 1
68 1 . . . . . 3.018 0.471 5.565 1 1
69 1 . . . . . 2.987 -1.048 7.022 1 1
70 1 . . . . . 2.792 -0.476 6.06 1 1
71 1 . . . . . 2.96 0.434 5.486 1 1
72 1 . . . . . 2.771 -0.339 6.032 1 1
73 1 . . . . . 3.379 0.694 6.064 1 1
74 1 . . . . . 2.986 0.451 5.521 1 1
75 1 . . . . . 3.135 0.545 5.725 1 1
76 1 . . . . . 3.128 0.541 5.715 1 1
77 1 . . . . . 3.214 2.594 3.834 1 1
78 1 . . . . . 3.317 0.657 5.977 1 1
79 1 . . . . . 3.86 0.966 6.754 1 1
80 1 . . . . . 4.025 3.053 4.997 1 1
81 1 . . . . . 3.494 2.761 4.227 1 1
82 1 . . . . . 3.241 2.611 3.871 1 1
83 1 . . . . . 3.363 2.685 4.041 1 1
84 1 . . . . . 3.113 0.532 5.694 1 1
85 1 . . . . . 3.5 2.765 4.235 1 1
86 1 . . . . . 3.944 1.011 6.877 1 1
87 1 . . . . . 3.385 0.698 6.072 1 1
88 1 . . . . . 2.571 1.609 3.768 1 1
89 1 . . . . . 2.921 2.409 3.433 1 1
90 1 . . . . . 2.76 2.303 3.217 1 1
91 1 . . . . . 2.938 2.42 3.456 1 1
92 1 . . . . . 3.154 2.557 3.751 1 1
93 1 . . . . . 2.83 2.35 3.31 1 1
94 1 . . . . . 2.748 0.295 5.201 1 1
95 1 . . . . . 3.909 1.992 5.826 1 1
96 1 . . . . . 3.605 1.825 5.385 1 1
97 1 . . . . . 3.253 2.618 3.888 1 1
98 1 . . . . . 2.901 0.393 5.409 1 1
99 1 . . . . . 3.353 -0.122 6.828 1 1
100 1 . . . . . 3.353 0.678 6.028 1 1
101 1 . . . . . 3.05 0.492 5.608 1 1
102 1 . . . . . 3.231 0.605 5.857 1 1
103 1 . . . . . 2.716 0.273 5.159 1 1
104 1 . . . . . 3.221 0.598 5.844 1 1
105 1 . . . . . 2.918 1.607 4.229 1 1
106 1 . . . . . 3.482 1.954 5.01 1 1
107 1 . . . . . 3.123 1.738 4.508 1 1
108 1 . . . . . 3.18 1.773 4.587 1 1
109 1 . . . . . 3.081 2.511 3.651 1 1
110 1 . . . . . 3.171 0.968 5.016 1 1
111 1 . . . . . 3.192 1.781 4.603 1 1
112 1 . . . . . 2.969 2.44 3.498 1 1
113 1 . . . . . 3.31 1.153 5.467 1 1
114 1 . . . . . 3.681 1.368 5.994 1 1
115 1 . . . . . 2.888 1.588 4.188 1 1
116 1 . . . . . 3.18 1.572 4.788 1 1
117 1 . . . . . 2.792 1.524 4.06 1 1
118 1 . . . . . 2.866 2.373 3.359 1 1
119 1 . . . . . 2.771 1.51 4.032 1 1
120 1 . . . . . 3.712 2.885 4.539 1 1
121 1 . . . . . 2.775 1.765 4.037 1 1
122 1 . . . . . 3.652 2.852 4.452 1 1
123 1 . . . . . 2.568 1.372 3.764 1 1
124 1 . . . . . 3.187 2.578 3.796 1 1
125 1 . . . . . 3.177 2.571 3.783 1 1
126 1 . . . . . 3.076 1.708 4.444 1 1
127 1 . . . . . 3.645 2.848 4.442 1 1
128 1 . . . . . 3.743 2.102 5.384 1 1
129 1 . . . . . 3.677 2.066 5.288 1 1
130 1 . . . . . 3.25 1.816 4.684 1 1
131 1 . . . . . 3.61 1.328 5.892 1 1
132 1 . . . . . 2.657 1.433 3.881 1 1
133 1 . . . . . 3.168 1.766 4.127 1 1
134 1 . . . . . 2.777 1.514 4.04 1 1
135 1 . . . . . 2.946 1.625 4.256 1 1
136 1 . . . . . 3.128 2.541 3.715 1 1
137 1 . . . . . 3.494 2.761 4.227 1 1
138 1 . . . . . 3.371 1.889 4.853 1 1
139 1 . . . . . 3.797 2.932 4.662 1 1
140 1 . . . . . 2.639 2.221 3.057 1 1
141 1 . . . . . 2.776 -0.486 6.038 1 1
142 1 . . . . . 3.097 -0.278 6.472 1 1
143 1 . . . . . 3.171 -0.232 6.574 1 1
144 1 . . . . . 3.367 2.687 4.047 1 1
145 1 . . . . . 3.44 -0.07 6.95 1 1
146 1 . . . . . 2.894 0.892 4.896 1 1
147 1 . . . . . 2.735 -1.214 6.684 1 1
148 1 . . . . . 2.461 -0.016 5.124 1 1
stop_
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 2
_Distance_constraint_list.Constraint_type "general distance"
_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 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
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 5 CYS SG . 5 . SG 1 2
1 1 2 2 2 1 ZN ZN . 1 . ZN 1 2
2 1 1 1 1 8 CYS SG . 8 . SG 1 2
2 1 2 2 2 1 ZN ZN . 1 . ZN 1 2
3 1 1 1 1 21 HIS NE2 . 21 . NE2 1 2
3 1 2 2 2 1 ZN ZN . 1 . ZN 1 2
4 1 1 1 1 25 HIS NE2 . 25 . NE2 1 2
4 1 2 2 2 1 ZN ZN . 1 . ZN 1 2
5 1 1 1 1 5 CYS SG . 5 . SG 1 2
5 1 2 1 1 8 CYS SG . 8 . SG 1 2
6 1 1 1 1 21 HIS NE2 . 21 . NE2 1 2
6 1 2 1 1 25 HIS NE2 . 25 . NE2 1 2
7 1 1 1 1 5 CYS SG . 5 . SG 1 2
7 1 2 1 1 21 HIS NE2 . 21 . NE2 1 2
8 1 1 1 1 8 CYS SG . 8 . SG 1 2
8 1 2 1 1 25 HIS NE2 . 25 . NE2 1 2
9 1 1 1 1 5 CYS SG . 5 . SG 1 2
9 1 2 1 1 25 HIS NE2 . 25 . NE2 1 2
10 1 1 1 1 8 CYS SG . 8 . SG 1 2
10 1 2 1 1 21 HIS NE2 . 21 . NE2 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.3 2.25 2.35 1 2
2 1 . . . . . 2.3 2.25 2.35 1 2
3 1 . . . . . 2.085 2.035 2.135 1 2
4 1 . . . . . 2.085 2.035 2.135 1 2
5 1 . . . . . 3.701 3.418 3.984 1 2
6 1 . . . . . 3.354 3.098 3.61 1 2
7 1 . . . . . 3.53 3.261 3.799 1 2
8 1 . . . . . 3.53 3.261 3.799 1 2
9 1 . . . . . 3.53 3.261 3.799 1 2
10 1 . . . . . 3.53 3.261 3.799 1 2
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 LYS C C 10.991 3.011 -4.112 1.00 . A A . 1 LYS C 1 1
1 2 1 1 1 LYS CA C 11.600 4.367 -4.471 1.00 . A A . 1 LYS CA 1 1
1 3 1 1 1 LYS CB C 13.038 4.434 -3.954 1.00 . A A . 1 LYS CB 1 1
1 4 1 1 1 LYS CD C 14.495 6.362 -4.591 1.00 . A A . 1 LYS CD 1 1
1 5 1 1 1 LYS CE C 14.635 7.287 -5.802 1.00 . A A . 1 LYS CE 1 1
1 6 1 1 1 LYS CG C 13.947 5.007 -5.043 1.00 . A A . 1 LYS CG 1 1
1 7 1 1 1 LYS H1 H 10.024 5.039 -3.287 1.00 . A A . 1 LYS H1 1 1
1 8 1 1 1 LYS H2 H 11.404 6.022 -3.223 1.00 . A A . 1 LYS H2 1 1
1 9 1 1 1 LYS H3 H 10.398 6.063 -4.591 1.00 . A A . 1 LYS H3 1 1
1 10 1 1 1 LYS HA H 11.598 4.490 -5.544 1.00 . A A . 1 LYS HA 1 1
1 11 1 1 1 LYS HB2 H 13.077 5.069 -3.080 1.00 . A A . 1 LYS HB2 1 1
1 12 1 1 1 LYS HB3 H 13.374 3.442 -3.693 1.00 . A A . 1 LYS HB3 1 1
1 13 1 1 1 LYS HD2 H 13.816 6.804 -3.876 1.00 . A A . 1 LYS HD2 1 1
1 14 1 1 1 LYS HD3 H 15.462 6.224 -4.132 1.00 . A A . 1 LYS HD3 1 1
1 15 1 1 1 LYS HE2 H 14.110 6.861 -6.644 1.00 . A A . 1 LYS HE2 1 1
1 16 1 1 1 LYS HE3 H 14.215 8.254 -5.566 1.00 . A A . 1 LYS HE3 1 1
1 17 1 1 1 LYS HG2 H 14.768 4.327 -5.221 1.00 . A A . 1 LYS HG2 1 1
1 18 1 1 1 LYS HG3 H 13.382 5.135 -5.954 1.00 . A A . 1 LYS HG3 1 1
1 19 1 1 1 LYS HZ1 H 16.623 6.671 -5.710 1.00 . A A . 1 LYS HZ1 1 1
1 20 1 1 1 LYS HZ2 H 16.194 7.411 -7.177 1.00 . A A . 1 LYS HZ2 1 1
1 21 1 1 1 LYS HZ3 H 16.424 8.353 -5.782 1.00 . A A . 1 LYS HZ3 1 1
1 22 1 1 1 LYS N N 10.796 5.455 -3.846 1.00 . A A . 1 LYS N 1 1
1 23 1 1 1 LYS NZ N 16.078 7.442 -6.144 1.00 . A A . 1 LYS NZ 1 1
1 24 1 1 1 LYS O O 10.218 2.893 -3.182 1.00 . A A . 1 LYS O 1 1
1 25 1 1 2 LYS C C 9.245 0.721 -4.490 1.00 . A A . 2 LYS C 1 1
1 26 1 1 2 LYS CA C 10.772 0.637 -4.542 1.00 . A A . 2 LYS CA 1 1
1 27 1 1 2 LYS CB C 11.302 0.156 -3.190 1.00 . A A . 2 LYS CB 1 1
1 28 1 1 2 LYS CD C 13.386 -0.443 -1.951 1.00 . A A . 2 LYS CD 1 1
1 29 1 1 2 LYS CE C 14.067 -1.724 -2.436 1.00 . A A . 2 LYS CE 1 1
1 30 1 1 2 LYS CG C 12.822 0.322 -3.149 1.00 . A A . 2 LYS CG 1 1
1 31 1 1 2 LYS H H 11.958 2.099 -5.589 1.00 . A A . 2 LYS H 1 1
1 32 1 1 2 LYS HA H 11.069 -0.058 -5.313 1.00 . A A . 2 LYS HA 1 1
1 33 1 1 2 LYS HB2 H 10.854 0.741 -2.399 1.00 . A A . 2 LYS HB2 1 1
1 34 1 1 2 LYS HB3 H 11.051 -0.885 -3.055 1.00 . A A . 2 LYS HB3 1 1
1 35 1 1 2 LYS HD2 H 14.106 0.176 -1.435 1.00 . A A . 2 LYS HD2 1 1
1 36 1 1 2 LYS HD3 H 12.582 -0.699 -1.276 1.00 . A A . 2 LYS HD3 1 1
1 37 1 1 2 LYS HE2 H 13.382 -2.283 -3.057 1.00 . A A . 2 LYS HE2 1 1
1 38 1 1 2 LYS HE3 H 14.947 -1.470 -3.009 1.00 . A A . 2 LYS HE3 1 1
1 39 1 1 2 LYS HG2 H 13.251 -0.069 -4.061 1.00 . A A . 2 LYS HG2 1 1
1 40 1 1 2 LYS HG3 H 13.069 1.368 -3.054 1.00 . A A . 2 LYS HG3 1 1
1 41 1 1 2 LYS HZ1 H 14.406 -1.978 -0.398 1.00 . A A . 2 LYS HZ1 1 1
1 42 1 1 2 LYS HZ2 H 13.815 -3.365 -1.180 1.00 . A A . 2 LYS HZ2 1 1
1 43 1 1 2 LYS HZ3 H 15.434 -2.894 -1.388 1.00 . A A . 2 LYS HZ3 1 1
1 44 1 1 2 LYS N N 11.333 1.984 -4.843 1.00 . A A . 2 LYS N 1 1
1 45 1 1 2 LYS NZ N 14.460 -2.553 -1.262 1.00 . A A . 2 LYS NZ 1 1
1 46 1 1 2 LYS O O 8.650 1.669 -4.962 1.00 . A A . 2 LYS O 1 1
1 47 1 1 3 PHE C C 6.691 0.329 -2.484 1.00 . A A . 3 PHE C 1 1
1 48 1 1 3 PHE CA C 7.118 -0.236 -3.840 1.00 . A A . 3 PHE CA 1 1
1 49 1 1 3 PHE CB C 6.567 -1.655 -3.998 1.00 . A A . 3 PHE CB 1 1
1 50 1 1 3 PHE CD1 C 7.482 -2.585 -1.841 1.00 . A A . 3 PHE CD1 1 1
1 51 1 1 3 PHE CD2 C 8.205 -3.568 -3.937 1.00 . A A . 3 PHE CD2 1 1
1 52 1 1 3 PHE CE1 C 8.292 -3.486 -1.139 1.00 . A A . 3 PHE CE1 1 1
1 53 1 1 3 PHE CE2 C 9.014 -4.470 -3.235 1.00 . A A . 3 PHE CE2 1 1
1 54 1 1 3 PHE CG C 7.439 -2.626 -3.240 1.00 . A A . 3 PHE CG 1 1
1 55 1 1 3 PHE CZ C 9.058 -4.429 -1.836 1.00 . A A . 3 PHE CZ 1 1
1 56 1 1 3 PHE H H 9.104 -1.019 -3.545 1.00 . A A . 3 PHE H 1 1
1 57 1 1 3 PHE HA H 6.728 0.391 -4.629 1.00 . A A . 3 PHE HA 1 1
1 58 1 1 3 PHE HB2 H 5.560 -1.695 -3.608 1.00 . A A . 3 PHE HB2 1 1
1 59 1 1 3 PHE HB3 H 6.558 -1.923 -5.044 1.00 . A A . 3 PHE HB3 1 1
1 60 1 1 3 PHE HD1 H 6.891 -1.858 -1.304 1.00 . A A . 3 PHE HD1 1 1
1 61 1 1 3 PHE HD2 H 8.171 -3.599 -5.016 1.00 . A A . 3 PHE HD2 1 1
1 62 1 1 3 PHE HE1 H 8.325 -3.455 -0.060 1.00 . A A . 3 PHE HE1 1 1
1 63 1 1 3 PHE HE2 H 9.605 -5.196 -3.773 1.00 . A A . 3 PHE HE2 1 1
1 64 1 1 3 PHE HZ H 9.683 -5.124 -1.295 1.00 . A A . 3 PHE HZ 1 1
1 65 1 1 3 PHE N N 8.606 -0.263 -3.920 1.00 . A A . 3 PHE N 1 1
1 66 1 1 3 PHE O O 7.381 0.185 -1.494 1.00 . A A . 3 PHE O 1 1
1 67 1 1 4 ALA C C 3.853 2.423 -1.402 1.00 . A A . 4 ALA C 1 1
1 68 1 1 4 ALA CA C 5.083 1.551 -1.143 1.00 . A A . 4 ALA CA 1 1
1 69 1 1 4 ALA CB C 6.194 2.404 -0.528 1.00 . A A . 4 ALA CB 1 1
1 70 1 1 4 ALA H H 5.017 1.078 -3.243 1.00 . A A . 4 ALA H 1 1
1 71 1 1 4 ALA HA H 4.822 0.752 -0.463 1.00 . A A . 4 ALA HA 1 1
1 72 1 1 4 ALA HB1 H 6.931 2.633 -1.283 1.00 . A A . 4 ALA HB1 1 1
1 73 1 1 4 ALA HB2 H 5.773 3.322 -0.145 1.00 . A A . 4 ALA HB2 1 1
1 74 1 1 4 ALA HB3 H 6.662 1.859 0.278 1.00 . A A . 4 ALA HB3 1 1
1 75 1 1 4 ALA N N 5.557 0.973 -2.432 1.00 . A A . 4 ALA N 1 1
1 76 1 1 4 ALA O O 3.790 3.140 -2.380 1.00 . A A . 4 ALA O 1 1
1 77 1 1 5 CYS C C 1.994 4.559 -1.283 1.00 . A A . 5 CYS C 1 1
1 78 1 1 5 CYS CA C 1.643 3.178 -0.728 1.00 . A A . 5 CYS CA 1 1
1 79 1 1 5 CYS CB C 0.941 3.364 0.616 1.00 . A A . 5 CYS CB 1 1
1 80 1 1 5 CYS H H 2.946 1.768 0.241 1.00 . A A . 5 CYS H 1 1
1 81 1 1 5 CYS HA H 0.976 2.671 -1.408 1.00 . A A . 5 CYS HA 1 1
1 82 1 1 5 CYS HB2 H 0.873 2.423 1.118 1.00 . A A . 5 CYS HB2 1 1
1 83 1 1 5 CYS HB3 H 1.502 4.050 1.227 1.00 . A A . 5 CYS HB3 1 1
1 84 1 1 5 CYS N N 2.875 2.361 -0.536 1.00 . A A . 5 CYS N 1 1
1 85 1 1 5 CYS O O 2.392 5.435 -0.541 1.00 . A A . 5 CYS O 1 1
1 86 1 1 5 CYS SG S -0.717 4.025 0.340 1.00 . A A . 5 CYS SG 1 1
1 87 1 1 6 PRO C C 1.144 7.072 -2.633 1.00 . A A . 6 PRO C 1 1
1 88 1 1 6 PRO CA C 2.080 6.014 -3.222 1.00 . A A . 6 PRO CA 1 1
1 89 1 1 6 PRO CB C 1.769 5.775 -4.706 1.00 . A A . 6 PRO CB 1 1
1 90 1 1 6 PRO CD C 1.331 3.659 -3.463 1.00 . A A . 6 PRO CD 1 1
1 91 1 1 6 PRO CG C 1.306 4.303 -4.858 1.00 . A A . 6 PRO CG 1 1
1 92 1 1 6 PRO HA H 3.112 6.301 -3.097 1.00 . A A . 6 PRO HA 1 1
1 93 1 1 6 PRO HB2 H 0.983 6.445 -5.028 1.00 . A A . 6 PRO HB2 1 1
1 94 1 1 6 PRO HB3 H 2.656 5.938 -5.299 1.00 . A A . 6 PRO HB3 1 1
1 95 1 1 6 PRO HD2 H 0.337 3.344 -3.177 1.00 . A A . 6 PRO HD2 1 1
1 96 1 1 6 PRO HD3 H 2.013 2.823 -3.445 1.00 . A A . 6 PRO HD3 1 1
1 97 1 1 6 PRO HG2 H 0.303 4.274 -5.260 1.00 . A A . 6 PRO HG2 1 1
1 98 1 1 6 PRO HG3 H 1.979 3.772 -5.514 1.00 . A A . 6 PRO HG3 1 1
1 99 1 1 6 PRO N N 1.812 4.726 -2.568 1.00 . A A . 6 PRO N 1 1
1 100 1 1 6 PRO O O 1.322 8.258 -2.826 1.00 . A A . 6 PRO O 1 1
1 101 1 1 7 GLU C C -0.202 8.218 -0.046 1.00 . A A . 7 GLU C 1 1
1 102 1 1 7 GLU CA C -0.817 7.599 -1.300 1.00 . A A . 7 GLU CA 1 1
1 103 1 1 7 GLU CB C -2.105 6.862 -0.927 1.00 . A A . 7 GLU CB 1 1
1 104 1 1 7 GLU CD C -4.006 5.933 -2.255 1.00 . A A . 7 GLU CD 1 1
1 105 1 1 7 GLU CG C -2.489 5.905 -2.056 1.00 . A A . 7 GLU CG 1 1
1 106 1 1 7 GLU H H 0.019 5.678 -1.771 1.00 . A A . 7 GLU H 1 1
1 107 1 1 7 GLU HA H -1.042 8.377 -2.008 1.00 . A A . 7 GLU HA 1 1
1 108 1 1 7 GLU HB2 H -1.948 6.302 -0.016 1.00 . A A . 7 GLU HB2 1 1
1 109 1 1 7 GLU HB3 H -2.899 7.578 -0.778 1.00 . A A . 7 GLU HB3 1 1
1 110 1 1 7 GLU HG2 H -2.000 6.211 -2.969 1.00 . A A . 7 GLU HG2 1 1
1 111 1 1 7 GLU HG3 H -2.180 4.903 -1.800 1.00 . A A . 7 GLU HG3 1 1
1 112 1 1 7 GLU N N 0.142 6.639 -1.910 1.00 . A A . 7 GLU N 1 1
1 113 1 1 7 GLU O O -0.213 9.420 0.127 1.00 . A A . 7 GLU O 1 1
1 114 1 1 7 GLU OE1 O -4.579 7.003 -2.134 1.00 . A A . 7 GLU OE1 1 1
1 115 1 1 7 GLU OE2 O -4.567 4.885 -2.527 1.00 . A A . 7 GLU OE2 1 1
1 116 1 1 8 CYS C C 2.437 7.674 2.116 1.00 . A A . 8 CYS C 1 1
1 117 1 1 8 CYS CA C 0.936 7.993 2.072 1.00 . A A . 8 CYS CA 1 1
1 118 1 1 8 CYS CB C 0.244 7.407 3.305 1.00 . A A . 8 CYS CB 1 1
1 119 1 1 8 CYS H H 0.333 6.442 0.686 1.00 . A A . 8 CYS H 1 1
1 120 1 1 8 CYS HA H 0.797 9.063 2.062 1.00 . A A . 8 CYS HA 1 1
1 121 1 1 8 CYS HB2 H 0.618 7.895 4.193 1.00 . A A . 8 CYS HB2 1 1
1 122 1 1 8 CYS HB3 H -0.822 7.568 3.230 1.00 . A A . 8 CYS HB3 1 1
1 123 1 1 8 CYS N N 0.331 7.416 0.835 1.00 . A A . 8 CYS N 1 1
1 124 1 1 8 CYS O O 2.849 6.600 1.729 1.00 . A A . 8 CYS O 1 1
1 125 1 1 8 CYS SG S 0.580 5.634 3.405 1.00 . A A . 8 CYS SG 1 1
1 126 1 1 9 PRO C C 5.041 7.396 3.704 1.00 . A A . 9 PRO C 1 1
1 127 1 1 9 PRO CA C 4.676 8.482 2.682 1.00 . A A . 9 PRO CA 1 1
1 128 1 1 9 PRO CB C 5.173 9.849 3.173 1.00 . A A . 9 PRO CB 1 1
1 129 1 1 9 PRO CD C 2.686 9.928 3.043 1.00 . A A . 9 PRO CD 1 1
1 130 1 1 9 PRO CG C 3.931 10.735 3.442 1.00 . A A . 9 PRO CG 1 1
1 131 1 1 9 PRO HA H 5.104 8.264 1.717 1.00 . A A . 9 PRO HA 1 1
1 132 1 1 9 PRO HB2 H 5.742 9.725 4.084 1.00 . A A . 9 PRO HB2 1 1
1 133 1 1 9 PRO HB3 H 5.788 10.310 2.415 1.00 . A A . 9 PRO HB3 1 1
1 134 1 1 9 PRO HD2 H 2.037 9.794 3.896 1.00 . A A . 9 PRO HD2 1 1
1 135 1 1 9 PRO HD3 H 2.159 10.421 2.240 1.00 . A A . 9 PRO HD3 1 1
1 136 1 1 9 PRO HG2 H 3.884 10.990 4.491 1.00 . A A . 9 PRO HG2 1 1
1 137 1 1 9 PRO HG3 H 3.986 11.634 2.848 1.00 . A A . 9 PRO HG3 1 1
1 138 1 1 9 PRO N N 3.210 8.629 2.582 1.00 . A A . 9 PRO N 1 1
1 139 1 1 9 PRO O O 5.385 7.693 4.831 1.00 . A A . 9 PRO O 1 1
1 140 1 1 10 LYS C C 6.422 4.188 3.696 1.00 . A A . 10 LYS C 1 1
1 141 1 1 10 LYS CA C 5.327 5.068 4.296 1.00 . A A . 10 LYS CA 1 1
1 142 1 1 10 LYS CB C 4.089 4.217 4.587 1.00 . A A . 10 LYS CB 1 1
1 143 1 1 10 LYS CD C 3.953 3.717 7.033 1.00 . A A . 10 LYS CD 1 1
1 144 1 1 10 LYS CE C 5.330 4.168 7.524 1.00 . A A . 10 LYS CE 1 1
1 145 1 1 10 LYS CG C 3.475 4.651 5.920 1.00 . A A . 10 LYS CG 1 1
1 146 1 1 10 LYS H H 4.700 5.909 2.423 1.00 . A A . 10 LYS H 1 1
1 147 1 1 10 LYS HA H 5.684 5.510 5.214 1.00 . A A . 10 LYS HA 1 1
1 148 1 1 10 LYS HB2 H 3.367 4.350 3.795 1.00 . A A . 10 LYS HB2 1 1
1 149 1 1 10 LYS HB3 H 4.373 3.177 4.646 1.00 . A A . 10 LYS HB3 1 1
1 150 1 1 10 LYS HD2 H 3.250 3.746 7.853 1.00 . A A . 10 LYS HD2 1 1
1 151 1 1 10 LYS HD3 H 4.021 2.709 6.653 1.00 . A A . 10 LYS HD3 1 1
1 152 1 1 10 LYS HE2 H 6.098 3.670 6.950 1.00 . A A . 10 LYS HE2 1 1
1 153 1 1 10 LYS HE3 H 5.424 5.237 7.400 1.00 . A A . 10 LYS HE3 1 1
1 154 1 1 10 LYS HG2 H 3.778 5.664 6.143 1.00 . A A . 10 LYS HG2 1 1
1 155 1 1 10 LYS HG3 H 2.398 4.605 5.851 1.00 . A A . 10 LYS HG3 1 1
1 156 1 1 10 LYS HZ1 H 5.354 2.796 9.090 1.00 . A A . 10 LYS HZ1 1 1
1 157 1 1 10 LYS HZ2 H 6.435 4.092 9.288 1.00 . A A . 10 LYS HZ2 1 1
1 158 1 1 10 LYS HZ3 H 4.769 4.328 9.523 1.00 . A A . 10 LYS HZ3 1 1
1 159 1 1 10 LYS N N 4.976 6.143 3.331 1.00 . A A . 10 LYS N 1 1
1 160 1 1 10 LYS NZ N 5.484 3.820 8.965 1.00 . A A . 10 LYS NZ 1 1
1 161 1 1 10 LYS O O 6.999 4.502 2.674 1.00 . A A . 10 LYS O 1 1
1 162 1 1 11 ARG C C 7.351 0.727 4.035 1.00 . A A . 11 ARG C 1 1
1 163 1 1 11 ARG CA C 7.769 2.179 3.801 1.00 . A A . 11 ARG CA 1 1
1 164 1 1 11 ARG CB C 9.087 2.454 4.529 1.00 . A A . 11 ARG CB 1 1
1 165 1 1 11 ARG CD C 10.796 4.195 5.071 1.00 . A A . 11 ARG CD 1 1
1 166 1 1 11 ARG CG C 9.519 3.901 4.280 1.00 . A A . 11 ARG CG 1 1
1 167 1 1 11 ARG CZ C 9.406 5.407 6.652 1.00 . A A . 11 ARG CZ 1 1
1 168 1 1 11 ARG H H 6.231 2.859 5.147 1.00 . A A . 11 ARG H 1 1
1 169 1 1 11 ARG HA H 7.899 2.351 2.742 1.00 . A A . 11 ARG HA 1 1
1 170 1 1 11 ARG HB2 H 8.951 2.295 5.589 1.00 . A A . 11 ARG HB2 1 1
1 171 1 1 11 ARG HB3 H 9.848 1.784 4.159 1.00 . A A . 11 ARG HB3 1 1
1 172 1 1 11 ARG HD2 H 11.395 3.299 5.130 1.00 . A A . 11 ARG HD2 1 1
1 173 1 1 11 ARG HD3 H 11.358 4.970 4.570 1.00 . A A . 11 ARG HD3 1 1
1 174 1 1 11 ARG HE H 10.997 4.360 7.211 1.00 . A A . 11 ARG HE 1 1
1 175 1 1 11 ARG HG2 H 9.708 4.041 3.225 1.00 . A A . 11 ARG HG2 1 1
1 176 1 1 11 ARG HG3 H 8.735 4.571 4.597 1.00 . A A . 11 ARG HG3 1 1
1 177 1 1 11 ARG HH11 H 10.414 7.111 6.355 1.00 . A A . 11 ARG HH11 1 1
1 178 1 1 11 ARG HH12 H 8.731 7.290 6.724 1.00 . A A . 11 ARG HH12 1 1
1 179 1 1 11 ARG HH21 H 8.157 3.883 7.004 1.00 . A A . 11 ARG HH21 1 1
1 180 1 1 11 ARG HH22 H 7.453 5.463 7.089 1.00 . A A . 11 ARG HH22 1 1
1 181 1 1 11 ARG N N 6.711 3.088 4.326 1.00 . A A . 11 ARG N 1 1
1 182 1 1 11 ARG NE N 10.445 4.642 6.452 1.00 . A A . 11 ARG NE 1 1
1 183 1 1 11 ARG NH1 N 9.526 6.704 6.570 1.00 . A A . 11 ARG NH1 1 1
1 184 1 1 11 ARG NH2 N 8.249 4.876 6.938 1.00 . A A . 11 ARG NH2 1 1
1 185 1 1 11 ARG O O 6.816 0.384 5.071 1.00 . A A . 11 ARG O 1 1
1 186 1 1 12 PHE C C 8.266 -2.461 2.624 1.00 . A A . 12 PHE C 1 1
1 187 1 1 12 PHE CA C 7.202 -1.560 3.255 1.00 . A A . 12 PHE CA 1 1
1 188 1 1 12 PHE CB C 5.855 -1.809 2.576 1.00 . A A . 12 PHE CB 1 1
1 189 1 1 12 PHE CD1 C 4.696 0.423 2.744 1.00 . A A . 12 PHE CD1 1 1
1 190 1 1 12 PHE CD2 C 3.951 -1.388 4.175 1.00 . A A . 12 PHE CD2 1 1
1 191 1 1 12 PHE CE1 C 3.726 1.263 3.302 1.00 . A A . 12 PHE CE1 1 1
1 192 1 1 12 PHE CE2 C 2.981 -0.547 4.733 1.00 . A A . 12 PHE CE2 1 1
1 193 1 1 12 PHE CG C 4.809 -0.903 3.180 1.00 . A A . 12 PHE CG 1 1
1 194 1 1 12 PHE CZ C 2.868 0.778 4.297 1.00 . A A . 12 PHE CZ 1 1
1 195 1 1 12 PHE H H 8.021 0.162 2.252 1.00 . A A . 12 PHE H 1 1
1 196 1 1 12 PHE HA H 7.121 -1.784 4.308 1.00 . A A . 12 PHE HA 1 1
1 197 1 1 12 PHE HB2 H 5.941 -1.605 1.519 1.00 . A A . 12 PHE HB2 1 1
1 198 1 1 12 PHE HB3 H 5.564 -2.839 2.721 1.00 . A A . 12 PHE HB3 1 1
1 199 1 1 12 PHE HD1 H 5.358 0.798 1.977 1.00 . A A . 12 PHE HD1 1 1
1 200 1 1 12 PHE HD2 H 4.038 -2.411 4.511 1.00 . A A . 12 PHE HD2 1 1
1 201 1 1 12 PHE HE1 H 3.639 2.285 2.966 1.00 . A A . 12 PHE HE1 1 1
1 202 1 1 12 PHE HE2 H 2.320 -0.922 5.501 1.00 . A A . 12 PHE HE2 1 1
1 203 1 1 12 PHE HZ H 2.120 1.426 4.728 1.00 . A A . 12 PHE HZ 1 1
1 204 1 1 12 PHE N N 7.589 -0.132 3.081 1.00 . A A . 12 PHE N 1 1
1 205 1 1 12 PHE O O 9.191 -1.995 1.990 1.00 . A A . 12 PHE O 1 1
1 206 1 1 13 MET C C 8.406 -5.844 1.526 1.00 . A A . 13 MET C 1 1
1 207 1 1 13 MET CA C 9.136 -4.683 2.202 1.00 . A A . 13 MET CA 1 1
1 208 1 1 13 MET CB C 10.044 -5.224 3.309 1.00 . A A . 13 MET CB 1 1
1 209 1 1 13 MET CE C 13.289 -5.466 3.927 1.00 . A A . 13 MET CE 1 1
1 210 1 1 13 MET CG C 10.944 -4.101 3.827 1.00 . A A . 13 MET CG 1 1
1 211 1 1 13 MET H H 7.382 -4.101 3.307 1.00 . A A . 13 MET H 1 1
1 212 1 1 13 MET HA H 9.733 -4.158 1.471 1.00 . A A . 13 MET HA 1 1
1 213 1 1 13 MET HB2 H 9.437 -5.603 4.119 1.00 . A A . 13 MET HB2 1 1
1 214 1 1 13 MET HB3 H 10.657 -6.021 2.915 1.00 . A A . 13 MET HB3 1 1
1 215 1 1 13 MET HE1 H 12.786 -6.097 3.212 1.00 . A A . 13 MET HE1 1 1
1 216 1 1 13 MET HE2 H 13.795 -4.666 3.405 1.00 . A A . 13 MET HE2 1 1
1 217 1 1 13 MET HE3 H 14.008 -6.054 4.481 1.00 . A A . 13 MET HE3 1 1
1 218 1 1 13 MET HG2 H 11.512 -3.689 3.007 1.00 . A A . 13 MET HG2 1 1
1 219 1 1 13 MET HG3 H 10.335 -3.327 4.269 1.00 . A A . 13 MET HG3 1 1
1 220 1 1 13 MET N N 8.137 -3.748 2.792 1.00 . A A . 13 MET N 1 1
1 221 1 1 13 MET O O 8.793 -6.989 1.648 1.00 . A A . 13 MET O 1 1
1 222 1 1 13 MET SD S 12.078 -4.763 5.073 1.00 . A A . 13 MET SD 1 1
1 223 1 1 14 ARG C C 5.475 -6.034 -0.713 1.00 . A A . 14 ARG C 1 1
1 224 1 1 14 ARG CA C 6.594 -6.646 0.133 1.00 . A A . 14 ARG CA 1 1
1 225 1 1 14 ARG CB C 5.988 -7.581 1.182 1.00 . A A . 14 ARG CB 1 1
1 226 1 1 14 ARG CD C 6.170 -9.953 1.948 1.00 . A A . 14 ARG CD 1 1
1 227 1 1 14 ARG CG C 6.147 -9.033 0.726 1.00 . A A . 14 ARG CG 1 1
1 228 1 1 14 ARG CZ C 6.829 -11.731 0.435 1.00 . A A . 14 ARG CZ 1 1
1 229 1 1 14 ARG H H 7.053 -4.628 0.730 1.00 . A A . 14 ARG H 1 1
1 230 1 1 14 ARG HA H 7.263 -7.205 -0.505 1.00 . A A . 14 ARG HA 1 1
1 231 1 1 14 ARG HB2 H 6.497 -7.442 2.125 1.00 . A A . 14 ARG HB2 1 1
1 232 1 1 14 ARG HB3 H 4.939 -7.356 1.302 1.00 . A A . 14 ARG HB3 1 1
1 233 1 1 14 ARG HD2 H 6.654 -9.447 2.770 1.00 . A A . 14 ARG HD2 1 1
1 234 1 1 14 ARG HD3 H 5.157 -10.205 2.228 1.00 . A A . 14 ARG HD3 1 1
1 235 1 1 14 ARG HE H 7.488 -11.620 2.304 1.00 . A A . 14 ARG HE 1 1
1 236 1 1 14 ARG HG2 H 5.318 -9.301 0.087 1.00 . A A . 14 ARG HG2 1 1
1 237 1 1 14 ARG HG3 H 7.072 -9.139 0.180 1.00 . A A . 14 ARG HG3 1 1
1 238 1 1 14 ARG HH11 H 4.831 -11.629 0.380 1.00 . A A . 14 ARG HH11 1 1
1 239 1 1 14 ARG HH12 H 5.585 -12.309 -1.023 1.00 . A A . 14 ARG HH12 1 1
1 240 1 1 14 ARG HH21 H 8.806 -11.957 0.212 1.00 . A A . 14 ARG HH21 1 1
1 241 1 1 14 ARG HH22 H 7.836 -12.496 -1.118 1.00 . A A . 14 ARG HH22 1 1
1 242 1 1 14 ARG N N 7.350 -5.559 0.815 1.00 . A A . 14 ARG N 1 1
1 243 1 1 14 ARG NE N 6.923 -11.200 1.624 1.00 . A A . 14 ARG NE 1 1
1 244 1 1 14 ARG NH1 N 5.657 -11.904 -0.112 1.00 . A A . 14 ARG NH1 1 1
1 245 1 1 14 ARG NH2 N 7.908 -12.089 -0.207 1.00 . A A . 14 ARG NH2 1 1
1 246 1 1 14 ARG O O 5.196 -4.854 -0.630 1.00 . A A . 14 ARG O 1 1
1 247 1 1 15 SER C C 2.387 -6.800 -1.857 1.00 . A A . 15 SER C 1 1
1 248 1 1 15 SER CA C 3.731 -6.285 -2.375 1.00 . A A . 15 SER CA 1 1
1 249 1 1 15 SER CB C 3.931 -6.744 -3.819 1.00 . A A . 15 SER CB 1 1
1 250 1 1 15 SER H H 5.070 -7.774 -1.579 1.00 . A A . 15 SER H 1 1
1 251 1 1 15 SER HA H 3.742 -5.205 -2.334 1.00 . A A . 15 SER HA 1 1
1 252 1 1 15 SER HB2 H 3.272 -6.192 -4.469 1.00 . A A . 15 SER HB2 1 1
1 253 1 1 15 SER HB3 H 4.957 -6.564 -4.114 1.00 . A A . 15 SER HB3 1 1
1 254 1 1 15 SER HG H 2.767 -8.219 -4.323 1.00 . A A . 15 SER HG 1 1
1 255 1 1 15 SER N N 4.831 -6.825 -1.526 1.00 . A A . 15 SER N 1 1
1 256 1 1 15 SER O O 1.354 -6.203 -2.084 1.00 . A A . 15 SER O 1 1
1 257 1 1 15 SER OG O 3.632 -8.130 -3.917 1.00 . A A . 15 SER OG 1 1
1 258 1 1 16 ASP C C 0.645 -7.601 0.546 1.00 . A A . 16 ASP C 1 1
1 259 1 1 16 ASP CA C 1.114 -8.456 -0.633 1.00 . A A . 16 ASP CA 1 1
1 260 1 1 16 ASP CB C 1.333 -9.897 -0.166 1.00 . A A . 16 ASP CB 1 1
1 261 1 1 16 ASP CG C 1.549 -10.800 -1.381 1.00 . A A . 16 ASP CG 1 1
1 262 1 1 16 ASP H H 3.236 -8.373 -0.992 1.00 . A A . 16 ASP H 1 1
1 263 1 1 16 ASP HA H 0.364 -8.439 -1.410 1.00 . A A . 16 ASP HA 1 1
1 264 1 1 16 ASP HB2 H 2.203 -9.939 0.475 1.00 . A A . 16 ASP HB2 1 1
1 265 1 1 16 ASP HB3 H 0.466 -10.234 0.382 1.00 . A A . 16 ASP HB3 1 1
1 266 1 1 16 ASP N N 2.392 -7.906 -1.164 1.00 . A A . 16 ASP N 1 1
1 267 1 1 16 ASP O O -0.284 -6.827 0.432 1.00 . A A . 16 ASP O 1 1
1 268 1 1 16 ASP OD1 O 2.592 -10.684 -2.004 1.00 . A A . 16 ASP OD1 1 1
1 269 1 1 16 ASP OD2 O 0.668 -11.593 -1.669 1.00 . A A . 16 ASP OD2 1 1
1 270 1 1 17 HIS C C 0.874 -5.439 2.486 1.00 . A A . 17 HIS C 1 1
1 271 1 1 17 HIS CA C 0.872 -6.922 2.860 1.00 . A A . 17 HIS CA 1 1
1 272 1 1 17 HIS CB C 1.857 -7.160 4.008 1.00 . A A . 17 HIS CB 1 1
1 273 1 1 17 HIS CD2 C 1.202 -8.794 5.959 1.00 . A A . 17 HIS CD2 1 1
1 274 1 1 17 HIS CE1 C -0.347 -7.587 6.875 1.00 . A A . 17 HIS CE1 1 1
1 275 1 1 17 HIS CG C 1.110 -7.639 5.222 1.00 . A A . 17 HIS CG 1 1
1 276 1 1 17 HIS H H 2.031 -8.359 1.749 1.00 . A A . 17 HIS H 1 1
1 277 1 1 17 HIS HA H -0.121 -7.214 3.170 1.00 . A A . 17 HIS HA 1 1
1 278 1 1 17 HIS HB2 H 2.579 -7.907 3.713 1.00 . A A . 17 HIS HB2 1 1
1 279 1 1 17 HIS HB3 H 2.368 -6.238 4.241 1.00 . A A . 17 HIS HB3 1 1
1 280 1 1 17 HIS HD1 H -0.195 -6.000 5.538 1.00 . A A . 17 HIS HD1 1 1
1 281 1 1 17 HIS HD2 H 1.886 -9.605 5.759 1.00 . A A . 17 HIS HD2 1 1
1 282 1 1 17 HIS HE1 H -1.131 -7.246 7.535 1.00 . A A . 17 HIS HE1 1 1
1 283 1 1 17 HIS N N 1.282 -7.731 1.678 1.00 . A A . 17 HIS N 1 1
1 284 1 1 17 HIS ND1 N 0.115 -6.884 5.825 1.00 . A A . 17 HIS ND1 1 1
1 285 1 1 17 HIS NE2 N 0.281 -8.759 7.002 1.00 . A A . 17 HIS NE2 1 1
1 286 1 1 17 HIS O O 0.126 -4.650 3.028 1.00 . A A . 17 HIS O 1 1
1 287 1 1 18 LEU C C 0.483 -3.268 0.385 1.00 . A A . 18 LEU C 1 1
1 288 1 1 18 LEU CA C 1.762 -3.622 1.149 1.00 . A A . 18 LEU CA 1 1
1 289 1 1 18 LEU CB C 2.987 -3.400 0.253 1.00 . A A . 18 LEU CB 1 1
1 290 1 1 18 LEU CD1 C 2.353 -0.981 0.396 1.00 . A A . 18 LEU CD1 1 1
1 291 1 1 18 LEU CD2 C 4.191 -1.703 -1.131 1.00 . A A . 18 LEU CD2 1 1
1 292 1 1 18 LEU CG C 2.837 -2.095 -0.535 1.00 . A A . 18 LEU CG 1 1
1 293 1 1 18 LEU H H 2.305 -5.707 1.136 1.00 . A A . 18 LEU H 1 1
1 294 1 1 18 LEU HA H 1.840 -2.999 2.027 1.00 . A A . 18 LEU HA 1 1
1 295 1 1 18 LEU HB2 H 3.874 -3.347 0.867 1.00 . A A . 18 LEU HB2 1 1
1 296 1 1 18 LEU HB3 H 3.080 -4.225 -0.438 1.00 . A A . 18 LEU HB3 1 1
1 297 1 1 18 LEU HD11 H 2.402 -1.320 1.420 1.00 . A A . 18 LEU HD11 1 1
1 298 1 1 18 LEU HD12 H 2.983 -0.112 0.275 1.00 . A A . 18 LEU HD12 1 1
1 299 1 1 18 LEU HD13 H 1.334 -0.723 0.150 1.00 . A A . 18 LEU HD13 1 1
1 300 1 1 18 LEU HD21 H 4.956 -1.788 -0.374 1.00 . A A . 18 LEU HD21 1 1
1 301 1 1 18 LEU HD22 H 4.425 -2.361 -1.955 1.00 . A A . 18 LEU HD22 1 1
1 302 1 1 18 LEU HD23 H 4.146 -0.684 -1.485 1.00 . A A . 18 LEU HD23 1 1
1 303 1 1 18 LEU HG H 2.119 -2.236 -1.330 1.00 . A A . 18 LEU HG 1 1
1 304 1 1 18 LEU N N 1.710 -5.054 1.561 1.00 . A A . 18 LEU N 1 1
1 305 1 1 18 LEU O O -0.084 -2.209 0.563 1.00 . A A . 18 LEU O 1 1
1 306 1 1 19 SER C C -2.415 -3.812 -0.285 1.00 . A A . 19 SER C 1 1
1 307 1 1 19 SER CA C -1.216 -3.854 -1.236 1.00 . A A . 19 SER CA 1 1
1 308 1 1 19 SER CB C -1.433 -4.948 -2.281 1.00 . A A . 19 SER CB 1 1
1 309 1 1 19 SER H H 0.495 -4.995 -0.594 1.00 . A A . 19 SER H 1 1
1 310 1 1 19 SER HA H -1.116 -2.899 -1.730 1.00 . A A . 19 SER HA 1 1
1 311 1 1 19 SER HB2 H -0.556 -5.037 -2.900 1.00 . A A . 19 SER HB2 1 1
1 312 1 1 19 SER HB3 H -1.616 -5.891 -1.782 1.00 . A A . 19 SER HB3 1 1
1 313 1 1 19 SER HG H -2.453 -5.061 -3.935 1.00 . A A . 19 SER HG 1 1
1 314 1 1 19 SER N N 0.024 -4.145 -0.464 1.00 . A A . 19 SER N 1 1
1 315 1 1 19 SER O O -3.168 -2.859 -0.262 1.00 . A A . 19 SER O 1 1
1 316 1 1 19 SER OG O -2.547 -4.605 -3.095 1.00 . A A . 19 SER OG 1 1
1 317 1 1 20 LYS C C -3.831 -3.509 2.172 1.00 . A A . 20 LYS C 1 1
1 318 1 1 20 LYS CA C -3.749 -4.855 1.448 1.00 . A A . 20 LYS CA 1 1
1 319 1 1 20 LYS CB C -3.550 -5.975 2.472 1.00 . A A . 20 LYS CB 1 1
1 320 1 1 20 LYS CD C -4.247 -8.296 3.082 1.00 . A A . 20 LYS CD 1 1
1 321 1 1 20 LYS CE C -4.324 -9.541 2.197 1.00 . A A . 20 LYS CE 1 1
1 322 1 1 20 LYS CG C -4.608 -7.059 2.258 1.00 . A A . 20 LYS CG 1 1
1 323 1 1 20 LYS H H -1.981 -5.598 0.468 1.00 . A A . 20 LYS H 1 1
1 324 1 1 20 LYS HA H -4.664 -5.025 0.901 1.00 . A A . 20 LYS HA 1 1
1 325 1 1 20 LYS HB2 H -2.565 -6.403 2.349 1.00 . A A . 20 LYS HB2 1 1
1 326 1 1 20 LYS HB3 H -3.646 -5.573 3.469 1.00 . A A . 20 LYS HB3 1 1
1 327 1 1 20 LYS HD2 H -3.244 -8.189 3.470 1.00 . A A . 20 LYS HD2 1 1
1 328 1 1 20 LYS HD3 H -4.941 -8.396 3.903 1.00 . A A . 20 LYS HD3 1 1
1 329 1 1 20 LYS HE2 H -3.737 -9.384 1.304 1.00 . A A . 20 LYS HE2 1 1
1 330 1 1 20 LYS HE3 H -3.937 -10.391 2.738 1.00 . A A . 20 LYS HE3 1 1
1 331 1 1 20 LYS HG2 H -5.573 -6.686 2.570 1.00 . A A . 20 LYS HG2 1 1
1 332 1 1 20 LYS HG3 H -4.645 -7.324 1.212 1.00 . A A . 20 LYS HG3 1 1
1 333 1 1 20 LYS HZ1 H -6.303 -8.933 1.969 1.00 . A A . 20 LYS HZ1 1 1
1 334 1 1 20 LYS HZ2 H -5.793 -10.070 0.818 1.00 . A A . 20 LYS HZ2 1 1
1 335 1 1 20 LYS HZ3 H -6.125 -10.565 2.409 1.00 . A A . 20 LYS HZ3 1 1
1 336 1 1 20 LYS N N -2.599 -4.838 0.501 1.00 . A A . 20 LYS N 1 1
1 337 1 1 20 LYS NZ N -5.744 -9.796 1.820 1.00 . A A . 20 LYS NZ 1 1
1 338 1 1 20 LYS O O -4.899 -2.965 2.372 1.00 . A A . 20 LYS O 1 1
1 339 1 1 21 HIS C C -3.352 -0.594 2.366 1.00 . A A . 21 HIS C 1 1
1 340 1 1 21 HIS CA C -2.724 -1.658 3.275 1.00 . A A . 21 HIS CA 1 1
1 341 1 1 21 HIS CB C -1.282 -1.257 3.633 1.00 . A A . 21 HIS CB 1 1
1 342 1 1 21 HIS CD2 C -0.849 1.232 2.900 1.00 . A A . 21 HIS CD2 1 1
1 343 1 1 21 HIS CE1 C -1.350 2.204 4.770 1.00 . A A . 21 HIS CE1 1 1
1 344 1 1 21 HIS CG C -1.186 0.240 3.788 1.00 . A A . 21 HIS CG 1 1
1 345 1 1 21 HIS H H -1.860 -3.423 2.394 1.00 . A A . 21 HIS H 1 1
1 346 1 1 21 HIS HA H -3.308 -1.745 4.180 1.00 . A A . 21 HIS HA 1 1
1 347 1 1 21 HIS HB2 H -0.998 -1.732 4.561 1.00 . A A . 21 HIS HB2 1 1
1 348 1 1 21 HIS HB3 H -0.615 -1.580 2.848 1.00 . A A . 21 HIS HB3 1 1
1 349 1 1 21 HIS HD1 H -1.777 0.453 5.811 1.00 . A A . 21 HIS HD1 1 1
1 350 1 1 21 HIS HD2 H -0.538 1.076 1.878 1.00 . A A . 21 HIS HD2 1 1
1 351 1 1 21 HIS HE1 H -1.527 2.957 5.523 1.00 . A A . 21 HIS HE1 1 1
1 352 1 1 21 HIS N N -2.711 -2.968 2.566 1.00 . A A . 21 HIS N 1 1
1 353 1 1 21 HIS ND1 N -1.499 0.883 4.975 1.00 . A A . 21 HIS ND1 1 1
1 354 1 1 21 HIS NE2 N -0.958 2.471 3.521 1.00 . A A . 21 HIS NE2 1 1
1 355 1 1 21 HIS O O -4.267 0.106 2.753 1.00 . A A . 21 HIS O 1 1
1 356 1 1 22 ILE C C -4.887 0.264 -0.039 1.00 . A A . 22 ILE C 1 1
1 357 1 1 22 ILE CA C -3.413 0.566 0.242 1.00 . A A . 22 ILE CA 1 1
1 358 1 1 22 ILE CB C -2.631 0.550 -1.073 1.00 . A A . 22 ILE CB 1 1
1 359 1 1 22 ILE CD1 C -0.344 0.373 -2.066 1.00 . A A . 22 ILE CD1 1 1
1 360 1 1 22 ILE CG1 C -1.129 0.667 -0.787 1.00 . A A . 22 ILE CG1 1 1
1 361 1 1 22 ILE CG2 C -3.074 1.728 -1.942 1.00 . A A . 22 ILE CG2 1 1
1 362 1 1 22 ILE H H -2.113 -1.029 0.880 1.00 . A A . 22 ILE H 1 1
1 363 1 1 22 ILE HA H -3.328 1.542 0.696 1.00 . A A . 22 ILE HA 1 1
1 364 1 1 22 ILE HB H -2.829 -0.373 -1.595 1.00 . A A . 22 ILE HB 1 1
1 365 1 1 22 ILE HD11 H -0.928 0.675 -2.923 1.00 . A A . 22 ILE HD11 1 1
1 366 1 1 22 ILE HD12 H 0.585 0.923 -2.052 1.00 . A A . 22 ILE HD12 1 1
1 367 1 1 22 ILE HD13 H -0.136 -0.685 -2.126 1.00 . A A . 22 ILE HD13 1 1
1 368 1 1 22 ILE HG12 H -0.903 1.666 -0.448 1.00 . A A . 22 ILE HG12 1 1
1 369 1 1 22 ILE HG13 H -0.847 -0.043 -0.025 1.00 . A A . 22 ILE HG13 1 1
1 370 1 1 22 ILE HG21 H -4.140 1.671 -2.108 1.00 . A A . 22 ILE HG21 1 1
1 371 1 1 22 ILE HG22 H -2.838 2.655 -1.440 1.00 . A A . 22 ILE HG22 1 1
1 372 1 1 22 ILE HG23 H -2.560 1.691 -2.890 1.00 . A A . 22 ILE HG23 1 1
1 373 1 1 22 ILE N N -2.856 -0.460 1.168 1.00 . A A . 22 ILE N 1 1
1 374 1 1 22 ILE O O -5.626 1.112 -0.498 1.00 . A A . 22 ILE O 1 1
1 375 1 1 23 LYS C C -7.657 -0.472 0.887 1.00 . A A . 23 LYS C 1 1
1 376 1 1 23 LYS CA C -6.746 -1.289 -0.031 1.00 . A A . 23 LYS CA 1 1
1 377 1 1 23 LYS CB C -6.960 -2.781 0.234 1.00 . A A . 23 LYS CB 1 1
1 378 1 1 23 LYS CD C -9.201 -3.402 -0.682 1.00 . A A . 23 LYS CD 1 1
1 379 1 1 23 LYS CE C -9.812 -4.722 -1.155 1.00 . A A . 23 LYS CE 1 1
1 380 1 1 23 LYS CG C -7.695 -3.412 -0.951 1.00 . A A . 23 LYS CG 1 1
1 381 1 1 23 LYS H H -4.707 -1.611 0.591 1.00 . A A . 23 LYS H 1 1
1 382 1 1 23 LYS HA H -6.987 -1.068 -1.056 1.00 . A A . 23 LYS HA 1 1
1 383 1 1 23 LYS HB2 H -6.002 -3.264 0.363 1.00 . A A . 23 LYS HB2 1 1
1 384 1 1 23 LYS HB3 H -7.550 -2.907 1.130 1.00 . A A . 23 LYS HB3 1 1
1 385 1 1 23 LYS HD2 H -9.377 -3.282 0.378 1.00 . A A . 23 LYS HD2 1 1
1 386 1 1 23 LYS HD3 H -9.658 -2.584 -1.218 1.00 . A A . 23 LYS HD3 1 1
1 387 1 1 23 LYS HE2 H -10.889 -4.663 -1.093 1.00 . A A . 23 LYS HE2 1 1
1 388 1 1 23 LYS HE3 H -9.520 -4.908 -2.178 1.00 . A A . 23 LYS HE3 1 1
1 389 1 1 23 LYS HG2 H -7.485 -2.846 -1.847 1.00 . A A . 23 LYS HG2 1 1
1 390 1 1 23 LYS HG3 H -7.361 -4.430 -1.081 1.00 . A A . 23 LYS HG3 1 1
1 391 1 1 23 LYS HZ1 H -9.366 -5.537 0.708 1.00 . A A . 23 LYS HZ1 1 1
1 392 1 1 23 LYS HZ2 H -9.924 -6.670 -0.428 1.00 . A A . 23 LYS HZ2 1 1
1 393 1 1 23 LYS HZ3 H -8.344 -6.065 -0.543 1.00 . A A . 23 LYS HZ3 1 1
1 394 1 1 23 LYS N N -5.320 -0.938 0.227 1.00 . A A . 23 LYS N 1 1
1 395 1 1 23 LYS NZ N -9.325 -5.832 -0.289 1.00 . A A . 23 LYS NZ 1 1
1 396 1 1 23 LYS O O -8.782 -0.163 0.547 1.00 . A A . 23 LYS O 1 1
1 397 1 1 24 THR C C -7.968 2.155 2.586 1.00 . A A . 24 THR C 1 1
1 398 1 1 24 THR CA C -8.019 0.679 2.986 1.00 . A A . 24 THR CA 1 1
1 399 1 1 24 THR CB C -7.485 0.517 4.411 1.00 . A A . 24 THR CB 1 1
1 400 1 1 24 THR CG2 C -6.996 -0.918 4.615 1.00 . A A . 24 THR CG2 1 1
1 401 1 1 24 THR H H -6.273 -0.377 2.298 1.00 . A A . 24 THR H 1 1
1 402 1 1 24 THR HA H -9.040 0.330 2.942 1.00 . A A . 24 THR HA 1 1
1 403 1 1 24 THR HB H -8.273 0.727 5.118 1.00 . A A . 24 THR HB 1 1
1 404 1 1 24 THR HG1 H -6.020 1.621 3.764 1.00 . A A . 24 THR HG1 1 1
1 405 1 1 24 THR HG21 H -7.351 -1.538 3.804 1.00 . A A . 24 THR HG21 1 1
1 406 1 1 24 THR HG22 H -5.917 -0.931 4.632 1.00 . A A . 24 THR HG22 1 1
1 407 1 1 24 THR HG23 H -7.376 -1.298 5.552 1.00 . A A . 24 THR HG23 1 1
1 408 1 1 24 THR N N -7.181 -0.119 2.046 1.00 . A A . 24 THR N 1 1
1 409 1 1 24 THR O O -8.699 2.975 3.106 1.00 . A A . 24 THR O 1 1
1 410 1 1 24 THR OG1 O -6.408 1.420 4.619 1.00 . A A . 24 THR OG1 1 1
1 411 1 1 25 HIS C C -8.141 4.225 0.239 1.00 . A A . 25 HIS C 1 1
1 412 1 1 25 HIS CA C -7.015 3.922 1.229 1.00 . A A . 25 HIS CA 1 1
1 413 1 1 25 HIS CB C -5.665 4.157 0.549 1.00 . A A . 25 HIS CB 1 1
1 414 1 1 25 HIS CD2 C -3.402 4.293 1.878 1.00 . A A . 25 HIS CD2 1 1
1 415 1 1 25 HIS CE1 C -3.862 6.011 3.116 1.00 . A A . 25 HIS CE1 1 1
1 416 1 1 25 HIS CG C -4.675 4.689 1.550 1.00 . A A . 25 HIS CG 1 1
1 417 1 1 25 HIS H H -6.532 1.824 1.256 1.00 . A A . 25 HIS H 1 1
1 418 1 1 25 HIS HA H -7.106 4.569 2.088 1.00 . A A . 25 HIS HA 1 1
1 419 1 1 25 HIS HB2 H -5.301 3.225 0.144 1.00 . A A . 25 HIS HB2 1 1
1 420 1 1 25 HIS HB3 H -5.786 4.873 -0.251 1.00 . A A . 25 HIS HB3 1 1
1 421 1 1 25 HIS HD1 H -5.781 6.302 2.364 1.00 . A A . 25 HIS HD1 1 1
1 422 1 1 25 HIS HD2 H -2.882 3.450 1.442 1.00 . A A . 25 HIS HD2 1 1
1 423 1 1 25 HIS HE1 H -3.785 6.809 3.841 1.00 . A A . 25 HIS HE1 1 1
1 424 1 1 25 HIS N N -7.111 2.500 1.664 1.00 . A A . 25 HIS N 1 1
1 425 1 1 25 HIS ND1 N -4.949 5.786 2.353 1.00 . A A . 25 HIS ND1 1 1
1 426 1 1 25 HIS NE2 N -2.890 5.131 2.866 1.00 . A A . 25 HIS NE2 1 1
1 427 1 1 25 HIS O O -8.514 5.363 0.036 1.00 . A A . 25 HIS O 1 1
1 428 1 1 26 GLN C C -11.003 2.611 -0.959 1.00 . A A . 26 GLN C 1 1
1 429 1 1 26 GLN CA C -9.784 3.440 -1.360 1.00 . A A . 26 GLN CA 1 1
1 430 1 1 26 GLN CB C -9.325 3.013 -2.749 1.00 . A A . 26 GLN CB 1 1
1 431 1 1 26 GLN CD C -8.043 5.058 -3.395 1.00 . A A . 26 GLN CD 1 1
1 432 1 1 26 GLN CG C -9.297 4.229 -3.676 1.00 . A A . 26 GLN CG 1 1
1 433 1 1 26 GLN H H -8.366 2.303 -0.203 1.00 . A A . 26 GLN H 1 1
1 434 1 1 26 GLN HA H -10.047 4.487 -1.372 1.00 . A A . 26 GLN HA 1 1
1 435 1 1 26 GLN HB2 H -8.336 2.585 -2.681 1.00 . A A . 26 GLN HB2 1 1
1 436 1 1 26 GLN HB3 H -10.011 2.278 -3.140 1.00 . A A . 26 GLN HB3 1 1
1 437 1 1 26 GLN HE21 H -8.363 6.312 -4.900 1.00 . A A . 26 GLN HE21 1 1
1 438 1 1 26 GLN HE22 H -6.967 6.619 -3.984 1.00 . A A . 26 GLN HE22 1 1
1 439 1 1 26 GLN HG2 H -9.288 3.897 -4.704 1.00 . A A . 26 GLN HG2 1 1
1 440 1 1 26 GLN HG3 H -10.174 4.834 -3.501 1.00 . A A . 26 GLN HG3 1 1
1 441 1 1 26 GLN N N -8.683 3.213 -0.381 1.00 . A A . 26 GLN N 1 1
1 442 1 1 26 GLN NE2 N -7.768 6.081 -4.156 1.00 . A A . 26 GLN NE2 1 1
1 443 1 1 26 GLN O O -11.412 1.708 -1.661 1.00 . A A . 26 GLN O 1 1
1 444 1 1 26 GLN OE1 O -7.306 4.772 -2.472 1.00 . A A . 26 GLN OE1 1 1
1 445 1 1 27 ASN C C -13.863 2.201 -0.457 1.00 . A A . 27 ASN C 1 1
1 446 1 1 27 ASN CA C -12.776 2.143 0.619 1.00 . A A . 27 ASN CA 1 1
1 447 1 1 27 ASN CB C -13.307 2.754 1.917 1.00 . A A . 27 ASN CB 1 1
1 448 1 1 27 ASN CG C -14.118 1.705 2.680 1.00 . A A . 27 ASN CG 1 1
1 449 1 1 27 ASN H H -11.230 3.641 0.710 1.00 . A A . 27 ASN H 1 1
1 450 1 1 27 ASN HA H -12.496 1.115 0.794 1.00 . A A . 27 ASN HA 1 1
1 451 1 1 27 ASN HB2 H -12.478 3.081 2.527 1.00 . A A . 27 ASN HB2 1 1
1 452 1 1 27 ASN HB3 H -13.940 3.597 1.687 1.00 . A A . 27 ASN HB3 1 1
1 453 1 1 27 ASN HD21 H -13.832 2.566 4.446 1.00 . A A . 27 ASN HD21 1 1
1 454 1 1 27 ASN HD22 H -14.767 1.150 4.473 1.00 . A A . 27 ASN HD22 1 1
1 455 1 1 27 ASN N N -11.582 2.910 0.164 1.00 . A A . 27 ASN N 1 1
1 456 1 1 27 ASN ND2 N -14.250 1.816 3.974 1.00 . A A . 27 ASN ND2 1 1
1 457 1 1 27 ASN O O -14.235 3.261 -0.918 1.00 . A A . 27 ASN O 1 1
1 458 1 1 27 ASN OD1 O -14.636 0.775 2.094 1.00 . A A . 27 ASN OD1 1 1
1 459 1 1 28 LYS C C -15.078 1.995 -3.044 1.00 . A A . 28 LYS C 1 1
1 460 1 1 28 LYS CA C -15.435 1.033 -1.907 1.00 . A A . 28 LYS CA 1 1
1 461 1 1 28 LYS CB C -16.782 1.433 -1.293 1.00 . A A . 28 LYS CB 1 1
1 462 1 1 28 LYS CD C -18.195 3.427 -0.767 1.00 . A A . 28 LYS CD 1 1
1 463 1 1 28 LYS CE C -18.237 4.548 0.274 1.00 . A A . 28 LYS CE 1 1
1 464 1 1 28 LYS CG C -16.761 2.913 -0.906 1.00 . A A . 28 LYS CG 1 1
1 465 1 1 28 LYS H H -14.050 0.224 -0.469 1.00 . A A . 28 LYS H 1 1
1 466 1 1 28 LYS HA H -15.510 0.031 -2.304 1.00 . A A . 28 LYS HA 1 1
1 467 1 1 28 LYS HB2 H -17.569 1.263 -2.015 1.00 . A A . 28 LYS HB2 1 1
1 468 1 1 28 LYS HB3 H -16.967 0.835 -0.413 1.00 . A A . 28 LYS HB3 1 1
1 469 1 1 28 LYS HD2 H -18.535 3.806 -1.720 1.00 . A A . 28 LYS HD2 1 1
1 470 1 1 28 LYS HD3 H -18.839 2.620 -0.450 1.00 . A A . 28 LYS HD3 1 1
1 471 1 1 28 LYS HE2 H -17.878 4.173 1.221 1.00 . A A . 28 LYS HE2 1 1
1 472 1 1 28 LYS HE3 H -17.608 5.364 -0.052 1.00 . A A . 28 LYS HE3 1 1
1 473 1 1 28 LYS HG2 H -16.243 3.030 0.036 1.00 . A A . 28 LYS HG2 1 1
1 474 1 1 28 LYS HG3 H -16.250 3.478 -1.670 1.00 . A A . 28 LYS HG3 1 1
1 475 1 1 28 LYS HZ1 H -20.296 4.317 0.062 1.00 . A A . 28 LYS HZ1 1 1
1 476 1 1 28 LYS HZ2 H -19.837 5.200 1.436 1.00 . A A . 28 LYS HZ2 1 1
1 477 1 1 28 LYS HZ3 H -19.758 5.920 -0.101 1.00 . A A . 28 LYS HZ3 1 1
1 478 1 1 28 LYS N N -14.371 1.064 -0.859 1.00 . A A . 28 LYS N 1 1
1 479 1 1 28 LYS NZ N -19.638 5.033 0.429 1.00 . A A . 28 LYS NZ 1 1
1 480 1 1 28 LYS O O -13.988 2.530 -3.095 1.00 . A A . 28 LYS O 1 1
1 481 1 1 29 LYS C C -14.275 2.966 -5.575 1.00 . A A . 29 LYS C 1 1
1 482 1 1 29 LYS CA C -15.721 3.130 -5.102 1.00 . A A . 29 LYS CA 1 1
1 483 1 1 29 LYS CB C -15.955 4.576 -4.661 1.00 . A A . 29 LYS CB 1 1
1 484 1 1 29 LYS CD C -15.012 6.493 -3.371 1.00 . A A . 29 LYS CD 1 1
1 485 1 1 29 LYS CE C -16.220 6.639 -2.444 1.00 . A A . 29 LYS CE 1 1
1 486 1 1 29 LYS CG C -14.824 5.020 -3.733 1.00 . A A . 29 LYS CG 1 1
1 487 1 1 29 LYS H H -16.859 1.758 -3.891 1.00 . A A . 29 LYS H 1 1
1 488 1 1 29 LYS HA H -16.391 2.892 -5.915 1.00 . A A . 29 LYS HA 1 1
1 489 1 1 29 LYS HB2 H -15.981 5.217 -5.531 1.00 . A A . 29 LYS HB2 1 1
1 490 1 1 29 LYS HB3 H -16.896 4.644 -4.136 1.00 . A A . 29 LYS HB3 1 1
1 491 1 1 29 LYS HD2 H -14.126 6.857 -2.871 1.00 . A A . 29 LYS HD2 1 1
1 492 1 1 29 LYS HD3 H -15.180 7.066 -4.270 1.00 . A A . 29 LYS HD3 1 1
1 493 1 1 29 LYS HE2 H -17.013 5.987 -2.779 1.00 . A A . 29 LYS HE2 1 1
1 494 1 1 29 LYS HE3 H -15.935 6.372 -1.437 1.00 . A A . 29 LYS HE3 1 1
1 495 1 1 29 LYS HG2 H -14.841 4.422 -2.833 1.00 . A A . 29 LYS HG2 1 1
1 496 1 1 29 LYS HG3 H -13.876 4.892 -4.233 1.00 . A A . 29 LYS HG3 1 1
1 497 1 1 29 LYS HZ1 H -15.886 8.692 -2.347 1.00 . A A . 29 LYS HZ1 1 1
1 498 1 1 29 LYS HZ2 H -17.161 8.245 -3.378 1.00 . A A . 29 LYS HZ2 1 1
1 499 1 1 29 LYS HZ3 H -17.372 8.203 -1.693 1.00 . A A . 29 LYS HZ3 1 1
1 500 1 1 29 LYS N N -15.991 2.209 -3.957 1.00 . A A . 29 LYS N 1 1
1 501 1 1 29 LYS NZ N -16.695 8.051 -2.467 1.00 . A A . 29 LYS NZ 1 1
1 502 1 1 29 LYS O O -13.743 3.913 -6.128 1.00 . A A . 29 LYS O 1 1
1 503 1 1 29 LYS OXT O -13.724 1.896 -5.373 1.00 . A A . 29 LYS OXT 1 1
1 504 2 2 1 ZN ZN ZN -0.998 4.266 2.578 1.00 . B A . 30 ZN ZN 1 1
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