NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
368212 |
1aqr   |
cing | 4-filtered-FRED | STAR | entry | full | 195 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1aqr
# This FRED archive file contains, for PDB entry <1aqr>:
#
# - 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_1aqr
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1aqr
_Assembly.Number_of_components 8
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 4704.35
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 $CU_METALLOTHIONEIN A . 1 1
2 . 2 $COPPER__I__ION B . 1 1
3 . 2 $COPPER__I__ION C . 1 1
4 . 2 $COPPER__I__ION D . 1 1
5 . 2 $COPPER__I__ION E . 1 1
6 . 2 $COPPER__I__ION F . 1 1
7 . 2 $COPPER__I__ION G . 1 1
8 . 2 $COPPER__I__ION H . 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 CU1 1 CU1 1 1
3 2 CU1 1 CU1 1 1
4 2 CU1 1 CU1 1 1
5 2 CU1 1 CU1 1 1
6 2 CU1 1 CU1 1 1
7 2 CU1 1 CU1 1 1
8 2 CU1 1 CU1 1 1
stop_
save_
save_CU_METALLOTHIONEIN
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "CU METALLOTHIONEIN"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code QNEGHECQCQCGSCKNNEQCQKSCSCPTGCNSDDKCPCGN
_Entity.Number_of_monomers 40
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 GLN . 1 1
2 ASN . 1 1
3 GLU . 1 1
4 GLY . 1 1
5 HIS . 1 1
6 GLU . 1 1
7 CYS . 1 1
8 GLN . 1 1
9 CYS . 1 1
10 GLN . 1 1
11 CYS . 1 1
12 GLY . 1 1
13 SER . 1 1
14 CYS . 1 1
15 LYS . 1 1
16 ASN . 1 1
17 ASN . 1 1
18 GLU . 1 1
19 GLN . 1 1
20 CYS . 1 1
21 GLN . 1 1
22 LYS . 1 1
23 SER . 1 1
24 CYS . 1 1
25 SER . 1 1
26 CYS . 1 1
27 PRO . 1 1
28 THR . 1 1
29 GLY . 1 1
30 CYS . 1 1
31 ASN . 1 1
32 SER . 1 1
33 ASP . 1 1
34 ASP . 1 1
35 LYS . 1 1
36 CYS . 1 1
37 PRO . 1 1
38 CYS . 1 1
39 GLY . 1 1
40 ASN . 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
GLN 1 1 1 1
ASN 2 2 1 1
GLU 3 3 1 1
GLY 4 4 1 1
HIS 5 5 1 1
GLU 6 6 1 1
CYS 7 7 1 1
GLN 8 8 1 1
CYS 9 9 1 1
GLN 10 10 1 1
CYS 11 11 1 1
GLY 12 12 1 1
SER 13 13 1 1
CYS 14 14 1 1
LYS 15 15 1 1
ASN 16 16 1 1
ASN 17 17 1 1
GLU 18 18 1 1
GLN 19 19 1 1
CYS 20 20 1 1
GLN 21 21 1 1
LYS 22 22 1 1
SER 23 23 1 1
CYS 24 24 1 1
SER 25 25 1 1
CYS 26 26 1 1
PRO 27 27 1 1
THR 28 28 1 1
GLY 29 29 1 1
CYS 30 30 1 1
ASN 31 31 1 1
SER 32 32 1 1
ASP 33 33 1 1
ASP 34 34 1 1
LYS 35 35 1 1
CYS 36 36 1 1
PRO 37 37 1 1
CYS 38 38 1 1
GLY 39 39 1 1
ASN 40 40 1 1
stop_
save_
save_COPPER__I__ION
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "COPPER I 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 CU1 $CU1 1 2
stop_
save_
save_CU1
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID CU1
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_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 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
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 7 CYS SG . 7 . SG 1 1
1 1 2 1 1 20 CYS SG . 20 . SG 1 1
2 1 1 1 1 7 CYS SG . 7 . SG 1 1
2 1 2 1 1 9 CYS SG . 9 . SG 1 1
3 1 1 1 1 9 CYS SG . 9 . SG 1 1
3 1 2 1 1 24 CYS SG . 24 . SG 1 1
4 1 1 1 1 7 CYS SG . 7 . SG 1 1
4 1 2 1 1 24 CYS SG . 24 . SG 1 1
5 1 1 1 1 24 CYS SG . 24 . SG 1 1
5 1 2 1 1 38 CYS SG . 38 . SG 1 1
6 1 1 1 1 14 CYS SG . 14 . SG 1 1
6 1 2 1 1 38 CYS SG . 38 . SG 1 1
7 1 1 1 1 14 CYS SG . 14 . SG 1 1
7 1 2 1 1 36 CYS SG . 36 . SG 1 1
8 1 1 1 1 11 CYS SG . 11 . SG 1 1
8 1 2 1 1 14 CYS SG . 14 . SG 1 1
9 1 1 1 1 11 CYS SG . 11 . SG 1 1
9 1 2 1 1 30 CYS SG . 30 . SG 1 1
10 1 1 1 1 11 CYS SG . 11 . SG 1 1
10 1 2 1 1 36 CYS SG . 36 . SG 1 1
11 1 1 1 1 26 CYS SG . 26 . SG 1 1
11 1 2 1 1 30 CYS SG . 30 . SG 1 1
12 1 1 1 1 30 CYS SG . 30 . SG 1 1
12 1 2 1 1 36 CYS SG . 36 . SG 1 1
13 1 1 1 1 26 CYS SG . 26 . SG 1 1
13 1 2 1 1 38 CYS SG . 38 . SG 1 1
14 1 1 1 1 26 CYS SG . 26 . SG 1 1
14 1 2 1 1 36 CYS SG . 36 . SG 1 1
15 1 1 1 1 24 CYS SG . 24 . SG 1 1
15 1 2 1 1 26 CYS SG . 26 . SG 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 . . . . . 4.5 4.5 4.5 1 1
2 1 . . . . . 3.9 3.4 4.4 1 1
3 1 . . . . . 3.9 3.4 4.4 1 1
4 1 . . . . . 3.9 3.4 4.4 1 1
5 1 . . . . . 3.9 3.4 4.4 1 1
6 1 . . . . . 3.9 3.4 4.4 1 1
7 1 . . . . . 3.9 3.4 4.4 1 1
8 1 . . . . . 3.9 3.4 4.4 1 1
9 1 . . . . . 4.5 4.5 4.5 1 1
10 1 . . . . . 3.9 3.4 4.4 1 1
11 1 . . . . . 3.9 3.4 4.4 1 1
12 1 . . . . . 3.9 3.4 4.4 1 1
13 1 . . . . . 3.9 3.4 4.4 1 1
14 1 . . . . . 3.9 3.4 4.4 1 1
15 1 . . . . . 3.9 3.4 4.4 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_7_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_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 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
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
21 1 . . . 1 2
22 1 . . . 1 2
23 1 . . . 1 2
24 1 . . . 1 2
25 1 . . . 1 2
26 1 . . . 1 2
27 1 . . . 1 2
28 1 . . . 1 2
29 1 . . . 1 2
30 1 . . . 1 2
31 1 . . . 1 2
32 1 . . . 1 2
33 1 . . . 1 2
34 1 . . . 1 2
35 1 . . . 1 2
36 1 . . . 1 2
37 1 . . . 1 2
38 1 . . . 1 2
39 1 . . . 1 2
40 1 . . . 1 2
41 1 . . . 1 2
42 1 . . . 1 2
43 1 . . . 1 2
44 1 . . . 1 2
45 1 . . . 1 2
46 1 . . . 1 2
47 1 . . . 1 2
48 1 . . . 1 2
49 1 . . . 1 2
50 1 . . . 1 2
51 1 . . . 1 2
52 1 . . . 1 2
53 1 . . . 1 2
54 1 . . . 1 2
55 1 . . . 1 2
56 1 . . . 1 2
57 1 . . . 1 2
58 1 . . . 1 2
59 1 . . . 1 2
60 1 . . . 1 2
61 1 . . . 1 2
62 1 . . . 1 2
63 1 . . . 1 2
64 1 . . . 1 2
65 1 . . . 1 2
66 1 . . . 1 2
67 1 . . . 1 2
68 1 . . . 1 2
69 1 . . . 1 2
70 1 . . . 1 2
71 1 . . . 1 2
72 1 . . . 1 2
73 1 . . . 1 2
74 1 . . . 1 2
75 1 . . . 1 2
76 1 . . . 1 2
77 1 . . . 1 2
78 1 . . . 1 2
79 1 . . . 1 2
80 1 . . . 1 2
81 1 . . . 1 2
82 1 . . . 1 2
83 1 . . . 1 2
84 1 . . . 1 2
85 1 . . . 1 2
86 1 . . . 1 2
87 1 . . . 1 2
88 1 . . . 1 2
89 1 . . . 1 2
90 1 . . . 1 2
91 1 . . . 1 2
92 1 . . . 1 2
93 1 . . . 1 2
94 1 . . . 1 2
95 1 . . . 1 2
96 1 . . . 1 2
97 1 . . . 1 2
98 1 . . . 1 2
99 1 . . . 1 2
100 1 . . . 1 2
101 1 . . . 1 2
102 1 . . . 1 2
103 1 . . . 1 2
104 1 . . . 1 2
105 1 . . . 1 2
106 1 . . . 1 2
107 1 . . . 1 2
108 1 . . . 1 2
109 1 . . . 1 2
110 1 . . . 1 2
111 1 . . . 1 2
112 1 . . . 1 2
113 1 . . . 1 2
114 1 . . . 1 2
115 1 . . . 1 2
116 1 . . . 1 2
117 1 . . . 1 2
118 1 . . . 1 2
119 1 . . . 1 2
120 1 . . . 1 2
121 1 . . . 1 2
122 1 . . . 1 2
123 1 . . . 1 2
124 1 . . . 1 2
125 1 . . . 1 2
126 1 . . . 1 2
127 1 . . . 1 2
128 1 . . . 1 2
129 1 . . . 1 2
130 1 . . . 1 2
131 1 . . . 1 2
132 1 . . . 1 2
133 1 . . . 1 2
134 1 . . . 1 2
135 1 . . . 1 2
136 1 . . . 1 2
137 1 . . . 1 2
138 1 . . . 1 2
139 1 . . . 1 2
140 1 . . . 1 2
141 1 . . . 1 2
142 1 . . . 1 2
143 1 . . . 1 2
144 1 . . . 1 2
145 1 . . . 1 2
146 1 . . . 1 2
147 1 . . . 1 2
148 1 . . . 1 2
149 1 . . . 1 2
150 1 . . . 1 2
151 1 . . . 1 2
152 1 . . . 1 2
153 1 . . . 1 2
154 1 . . . 1 2
155 1 . . . 1 2
156 1 . . . 1 2
157 1 . . . 1 2
158 1 . . . 1 2
159 1 . . . 1 2
160 1 . . . 1 2
161 1 . . . 1 2
162 1 . . . 1 2
163 1 . . . 1 2
164 1 . . . 1 2
165 1 . . . 1 2
166 1 . . . 1 2
167 1 . . . 1 2
168 1 . . . 1 2
169 1 . . . 1 2
170 1 . . . 1 2
171 1 . . . 1 2
172 1 . . . 1 2
173 1 . . . 1 2
174 1 . . . 1 2
175 1 . . . 1 2
176 1 . . . 1 2
177 1 . . . 1 2
178 1 . . . 1 2
179 1 . . . 1 2
180 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 1 GLN HA . 1 . HA 1 2
1 1 2 1 1 2 ASN H . 2 . HN 1 2
2 1 1 1 1 2 ASN HA . 2 . HA 1 2
2 1 2 1 1 3 GLU H . 3 . HN 1 2
3 1 1 1 1 3 GLU HA . 3 . HA 1 2
3 1 2 1 1 4 GLY H . 4 . HN 1 2
4 1 1 1 1 3 GLU H . 3 . HN 1 2
4 1 2 1 1 4 GLY H . 4 . HN 1 2
5 1 1 1 1 3 GLU QB . 3 . HB# 1 2
5 1 2 1 1 4 GLY H . 4 . HN 1 2
6 1 1 1 1 4 GLY QA . 4 . HA# 1 2
6 1 2 1 1 5 HIS H . 5 . HN 1 2
7 1 1 1 1 5 HIS HA . 5 . HA 1 2
7 1 2 1 1 6 GLU H . 6 . HN 1 2
8 1 1 1 1 5 HIS H . 5 . HN 1 2
8 1 2 1 1 6 GLU H . 6 . HN 1 2
9 1 1 1 1 5 HIS QB . 5 . HB# 1 2
9 1 2 1 1 6 GLU H . 6 . HN 1 2
10 1 1 1 1 5 HIS H . 5 . HN 1 2
10 1 2 1 1 7 CYS H . 7 . HN 1 2
11 1 1 1 1 5 HIS HE1 . 5 . HE1 1 2
11 1 2 1 1 24 CYS HB3 . 24 . HB1 1 2
12 1 1 1 1 5 HIS HE1 . 5 . HE1 1 2
12 1 2 1 1 26 CYS HB2 . 26 . HB2 1 2
13 1 1 1 1 5 HIS H . 5 . HN 1 2
13 1 2 1 1 5 HIS HD2 . 5 . HD2 1 2
14 1 1 1 1 5 HIS HD2 . 5 . HD2 1 2
14 1 2 1 1 6 GLU H . 6 . HN 1 2
15 1 1 1 1 5 HIS HE1 . 5 . HE1 1 2
15 1 2 1 1 25 SER HA . 25 . HA 1 2
16 1 1 1 1 5 HIS HD2 . 5 . HD2 1 2
16 1 2 1 1 25 SER HA . 25 . HA 1 2
17 1 1 1 1 5 HIS HE1 . 5 . HE1 1 2
17 1 2 1 1 24 CYS HB2 . 24 . HB2 1 2
18 1 1 1 1 6 GLU H . 6 . HN 1 2
18 1 2 1 1 7 CYS H . 7 . HN 1 2
19 1 1 1 1 6 GLU QB . 6 . HB# 1 2
19 1 2 1 1 7 CYS H . 7 . HN 1 2
20 1 1 1 1 7 CYS HA . 7 . HA 1 2
20 1 2 1 1 8 GLN H . 8 . HN 1 2
21 1 1 1 1 7 CYS H . 7 . HN 1 2
21 1 2 1 1 8 GLN H . 8 . HN 1 2
22 1 1 1 1 7 CYS QB . 7 . HB# 1 2
22 1 2 1 1 8 GLN H . 8 . HN 1 2
23 1 1 1 1 7 CYS H . 7 . HN 1 2
23 1 2 1 1 9 CYS H . 9 . HN 1 2
24 1 1 1 1 7 CYS H . 7 . HN 1 2
24 1 2 1 1 7 CYS HB3 . 7 . HB1 1 2
25 1 1 1 1 7 CYS H . 7 . HN 1 2
25 1 2 1 1 7 CYS HB2 . 7 . HB2 1 2
26 1 1 1 1 7 CYS HA . 7 . HA 1 2
26 1 2 1 1 24 CYS HB2 . 24 . HB2 1 2
27 1 1 1 1 7 CYS HA . 7 . HA 1 2
27 1 2 1 1 24 CYS HB3 . 24 . HB1 1 2
28 1 1 1 1 7 CYS HB3 . 7 . HB1 1 2
28 1 2 1 1 21 GLN HA . 21 . HA 1 2
29 1 1 1 1 7 CYS HB2 . 7 . HB2 1 2
29 1 2 1 1 21 GLN HA . 21 . HA 1 2
30 1 1 1 1 7 CYS HB3 . 7 . HB1 1 2
30 1 2 1 1 24 CYS HB2 . 24 . HB2 1 2
31 1 1 1 1 7 CYS HB2 . 7 . HB2 1 2
31 1 2 1 1 24 CYS HB3 . 24 . HB1 1 2
32 1 1 1 1 8 GLN HA . 8 . HA 1 2
32 1 2 1 1 9 CYS H . 9 . HN 1 2
33 1 1 1 1 8 GLN H . 8 . HN 1 2
33 1 2 1 1 9 CYS H . 9 . HN 1 2
34 1 1 1 1 8 GLN H . 8 . HN 1 2
34 1 2 1 1 8 GLN QG . 8 . HG# 1 2
35 1 1 1 1 8 GLN QE . 8 . HE2# 1 2
35 1 2 1 1 21 GLN QE . 21 . HE2# 1 2
36 1 1 1 1 9 CYS HA . 9 . HA 1 2
36 1 2 1 1 10 GLN H . 10 . HN 1 2
37 1 1 1 1 9 CYS H . 9 . HN 1 2
37 1 2 1 1 10 GLN H . 10 . HN 1 2
38 1 1 1 1 9 CYS HB3 . 9 . HB1 1 2
38 1 2 1 1 10 GLN H . 10 . HN 1 2
39 1 1 1 1 9 CYS HA . 9 . HA 1 2
39 1 2 1 1 11 CYS H . 11 . HN 1 2
40 1 1 1 1 9 CYS HB3 . 9 . HB1 1 2
40 1 2 1 1 14 CYS HB3 . 14 . HB1 1 2
41 1 1 1 1 9 CYS H . 9 . HN 1 2
41 1 2 1 1 9 CYS HB3 . 9 . HB1 1 2
42 1 1 1 1 9 CYS H . 9 . HN 1 2
42 1 2 1 1 9 CYS HB2 . 9 . HB2 1 2
43 1 1 1 1 9 CYS HB3 . 9 . HB1 1 2
43 1 2 1 1 14 CYS HA . 14 . HA 1 2
44 1 1 1 1 9 CYS HB3 . 9 . HB1 1 2
44 1 2 1 1 14 CYS HB2 . 14 . HB2 1 2
45 1 1 1 1 9 CYS HB2 . 9 . HB2 1 2
45 1 2 1 1 14 CYS HB2 . 14 . HB2 1 2
46 1 1 1 1 9 CYS HB2 . 9 . HB2 1 2
46 1 2 1 1 14 CYS HB3 . 14 . HB1 1 2
47 1 1 1 1 10 GLN HA . 10 . HA 1 2
47 1 2 1 1 11 CYS H . 11 . HN 1 2
48 1 1 1 1 10 GLN H . 10 . HN 1 2
48 1 2 1 1 11 CYS H . 11 . HN 1 2
49 1 1 1 1 10 GLN QB . 10 . HB# 1 2
49 1 2 1 1 11 CYS H . 11 . HN 1 2
50 1 1 1 1 10 GLN H . 10 . HN 1 2
50 1 2 1 1 10 GLN QB . 10 . HB# 1 2
51 1 1 1 1 10 GLN H . 10 . HN 1 2
51 1 2 1 1 10 GLN QG . 10 . HG# 1 2
52 1 1 1 1 11 CYS HA . 11 . HA 1 2
52 1 2 1 1 12 GLY H . 12 . HN 1 2
53 1 1 1 1 11 CYS H . 11 . HN 1 2
53 1 2 1 1 12 GLY H . 12 . HN 1 2
54 1 1 1 1 11 CYS HA . 11 . HA 1 2
54 1 2 1 1 13 SER H . 13 . HN 1 2
55 1 1 1 1 11 CYS H . 11 . HN 1 2
55 1 2 1 1 11 CYS HB3 . 11 . HB1 1 2
56 1 1 1 1 11 CYS H . 11 . HN 1 2
56 1 2 1 1 11 CYS HB2 . 11 . HB2 1 2
57 1 1 1 1 11 CYS HB3 . 11 . HB1 1 2
57 1 2 1 1 33 ASP HA . 33 . HA 1 2
58 1 1 1 1 11 CYS HB2 . 11 . HB2 1 2
58 1 2 1 1 33 ASP HA . 33 . HA 1 2
59 1 1 1 1 11 CYS H . 11 . HN 1 2
59 1 2 1 1 14 CYS HB3 . 14 . HB1 1 2
60 1 1 1 1 11 CYS H . 11 . HN 1 2
60 1 2 1 1 14 CYS HB2 . 14 . HB2 1 2
61 1 1 1 1 11 CYS HB3 . 11 . HB1 1 2
61 1 2 1 1 12 GLY H . 12 . HN 1 2
62 1 1 1 1 11 CYS HB2 . 11 . HB2 1 2
62 1 2 1 1 12 GLY H . 12 . HN 1 2
63 1 1 1 1 11 CYS HB3 . 11 . HB1 1 2
63 1 2 1 1 13 SER H . 13 . HN 1 2
64 1 1 1 1 11 CYS HB2 . 11 . HB2 1 2
64 1 2 1 1 13 SER H . 13 . HN 1 2
65 1 1 1 1 12 GLY QA . 12 . HA# 1 2
65 1 2 1 1 13 SER H . 13 . HN 1 2
66 1 1 1 1 12 GLY H . 12 . HN 1 2
66 1 2 1 1 13 SER H . 13 . HN 1 2
67 1 1 1 1 12 GLY H . 12 . HN 1 2
67 1 2 1 1 14 CYS H . 14 . HN 1 2
68 1 1 1 1 12 GLY H . 12 . HN 1 2
68 1 2 1 1 15 LYS H . 15 . HN 1 2
69 1 1 1 1 13 SER HA . 13 . HA 1 2
69 1 2 1 1 14 CYS H . 14 . HN 1 2
70 1 1 1 1 13 SER QB . 13 . HB# 1 2
70 1 2 1 1 14 CYS H . 14 . HN 1 2
71 1 1 1 1 13 SER H . 13 . HN 1 2
71 1 2 1 1 14 CYS H . 14 . HN 1 2
72 1 1 1 1 13 SER H . 13 . HN 1 2
72 1 2 1 1 15 LYS H . 15 . HN 1 2
73 1 1 1 1 14 CYS HA . 14 . HA 1 2
73 1 2 1 1 15 LYS H . 15 . HN 1 2
74 1 1 1 1 14 CYS H . 14 . HN 1 2
74 1 2 1 1 15 LYS H . 15 . HN 1 2
75 1 1 1 1 14 CYS H . 14 . HN 1 2
75 1 2 1 1 14 CYS HB3 . 14 . HB1 1 2
76 1 1 1 1 14 CYS H . 14 . HN 1 2
76 1 2 1 1 14 CYS HB2 . 14 . HB2 1 2
77 1 1 1 1 14 CYS HB3 . 14 . HB1 1 2
77 1 2 1 1 15 LYS H . 15 . HN 1 2
78 1 1 1 1 14 CYS HB2 . 14 . HB2 1 2
78 1 2 1 1 15 LYS H . 15 . HN 1 2
79 1 1 1 1 15 LYS HA . 15 . HA 1 2
79 1 2 1 1 16 ASN H . 16 . HN 1 2
80 1 1 1 1 15 LYS H . 15 . HN 1 2
80 1 2 1 1 15 LYS QB . 15 . HB# 1 2
81 1 1 1 1 15 LYS H . 15 . HN 1 2
81 1 2 1 1 15 LYS QG . 15 . HG# 1 2
82 1 1 1 1 17 ASN HA . 17 . HA 1 2
82 1 2 1 1 18 GLU H . 18 . HN 1 2
83 1 1 1 1 17 ASN HA . 17 . HA 1 2
83 1 2 1 1 19 GLN H . 19 . HN 1 2
84 1 1 1 1 18 GLU HA . 18 . HA 1 2
84 1 2 1 1 19 GLN H . 19 . HN 1 2
85 1 1 1 1 18 GLU H . 18 . HN 1 2
85 1 2 1 1 19 GLN H . 19 . HN 1 2
86 1 1 1 1 18 GLU QB . 18 . HB# 1 2
86 1 2 1 1 19 GLN H . 19 . HN 1 2
87 1 1 1 1 18 GLU HA . 18 . HA 1 2
87 1 2 1 1 20 CYS H . 20 . HN 1 2
88 1 1 1 1 18 GLU H . 18 . HN 1 2
88 1 2 1 1 20 CYS H . 20 . HN 1 2
89 1 1 1 1 18 GLU HA . 18 . HA 1 2
89 1 2 1 1 21 GLN H . 21 . HN 1 2
90 1 1 1 1 18 GLU H . 18 . HN 1 2
90 1 2 1 1 18 GLU QB . 18 . HB# 1 2
91 1 1 1 1 18 GLU H . 18 . HN 1 2
91 1 2 1 1 18 GLU QG . 18 . HG# 1 2
92 1 1 1 1 19 GLN HA . 19 . HA 1 2
92 1 2 1 1 20 CYS H . 20 . HN 1 2
93 1 1 1 1 19 GLN H . 19 . HN 1 2
93 1 2 1 1 20 CYS H . 20 . HN 1 2
94 1 1 1 1 19 GLN QB . 19 . HB# 1 2
94 1 2 1 1 20 CYS H . 20 . HN 1 2
95 1 1 1 1 19 GLN H . 19 . HN 1 2
95 1 2 1 1 21 GLN H . 21 . HN 1 2
96 1 1 1 1 19 GLN H . 19 . HN 1 2
96 1 2 1 1 19 GLN QB . 19 . HB# 1 2
97 1 1 1 1 20 CYS HA . 20 . HA 1 2
97 1 2 1 1 21 GLN H . 21 . HN 1 2
98 1 1 1 1 20 CYS H . 20 . HN 1 2
98 1 2 1 1 21 GLN H . 21 . HN 1 2
99 1 1 1 1 20 CYS QB . 20 . HB# 1 2
99 1 2 1 1 21 GLN H . 21 . HN 1 2
100 1 1 1 1 20 CYS HA . 20 . HA 1 2
100 1 2 1 1 23 SER H . 23 . HN 1 2
101 1 1 1 1 20 CYS HB3 . 20 . HB1 1 2
101 1 2 1 1 24 CYS HA . 24 . HA 1 2
102 1 1 1 1 20 CYS HB2 . 20 . HB2 1 2
102 1 2 1 1 24 CYS HA . 24 . HA 1 2
103 1 1 1 1 20 CYS HB2 . 20 . HB2 1 2
103 1 2 1 1 24 CYS HB2 . 24 . HB2 1 2
104 1 1 1 1 20 CYS H . 20 . HN 1 2
104 1 2 1 1 20 CYS HB3 . 20 . HB1 1 2
105 1 1 1 1 20 CYS H . 20 . HN 1 2
105 1 2 1 1 20 CYS HB2 . 20 . HB2 1 2
106 1 1 1 1 20 CYS H . 20 . HN 1 2
106 1 2 1 1 21 GLN QE . 21 . HE2# 1 2
107 1 1 1 1 21 GLN HA . 21 . HA 1 2
107 1 2 1 1 22 LYS H . 22 . HN 1 2
108 1 1 1 1 21 GLN H . 21 . HN 1 2
108 1 2 1 1 22 LYS H . 22 . HN 1 2
109 1 1 1 1 21 GLN QB . 21 . HB# 1 2
109 1 2 1 1 22 LYS H . 22 . HN 1 2
110 1 1 1 1 21 GLN QB . 21 . HB# 1 2
110 1 2 1 1 21 GLN QE . 21 . HE2# 1 2
111 1 1 1 1 21 GLN H . 21 . HN 1 2
111 1 2 1 1 21 GLN QG . 21 . HG# 1 2
112 1 1 1 1 21 GLN H . 21 . HN 1 2
112 1 2 1 1 21 GLN QE . 21 . HE2# 1 2
113 1 1 1 1 22 LYS HA . 22 . HA 1 2
113 1 2 1 1 23 SER H . 23 . HN 1 2
114 1 1 1 1 22 LYS H . 22 . HN 1 2
114 1 2 1 1 23 SER H . 23 . HN 1 2
115 1 1 1 1 22 LYS QB . 22 . HB# 1 2
115 1 2 1 1 23 SER H . 23 . HN 1 2
116 1 1 1 1 22 LYS H . 22 . HN 1 2
116 1 2 1 1 22 LYS QG . 22 . HG# 1 2
117 1 1 1 1 23 SER HA . 23 . HA 1 2
117 1 2 1 1 24 CYS H . 24 . HN 1 2
118 1 1 1 1 23 SER H . 23 . HN 1 2
118 1 2 1 1 24 CYS H . 24 . HN 1 2
119 1 1 1 1 23 SER QB . 23 . HB# 1 2
119 1 2 1 1 24 CYS H . 24 . HN 1 2
120 1 1 1 1 24 CYS HA . 24 . HA 1 2
120 1 2 1 1 25 SER H . 25 . HN 1 2
121 1 1 1 1 24 CYS HA . 24 . HA 1 2
121 1 2 1 1 26 CYS H . 26 . HN 1 2
122 1 1 1 1 24 CYS H . 24 . HN 1 2
122 1 2 1 1 24 CYS HB3 . 24 . HB1 1 2
123 1 1 1 1 24 CYS H . 24 . HN 1 2
123 1 2 1 1 24 CYS HB2 . 24 . HB2 1 2
124 1 1 1 1 24 CYS HB3 . 24 . HB1 1 2
124 1 2 1 1 25 SER H . 25 . HN 1 2
125 1 1 1 1 24 CYS HB2 . 24 . HB2 1 2
125 1 2 1 1 25 SER H . 25 . HN 1 2
126 1 1 1 1 25 SER HA . 25 . HA 1 2
126 1 2 1 1 26 CYS H . 26 . HN 1 2
127 1 1 1 1 25 SER H . 25 . HN 1 2
127 1 2 1 1 26 CYS H . 26 . HN 1 2
128 1 1 1 1 26 CYS HB3 . 26 . HB1 1 2
128 1 2 1 1 30 CYS HB3 . 30 . HB1 1 2
129 1 1 1 1 26 CYS HA . 26 . HA 1 2
129 1 2 1 1 30 CYS HB2 . 30 . HB2 1 2
130 1 1 1 1 26 CYS HA . 26 . HA 1 2
130 1 2 1 1 37 PRO QD . 37 . HD# 1 2
131 1 1 1 1 26 CYS H . 26 . HN 1 2
131 1 2 1 1 26 CYS HB2 . 26 . HB2 1 2
132 1 1 1 1 26 CYS H . 26 . HN 1 2
132 1 2 1 1 26 CYS HB3 . 26 . HB1 1 2
133 1 1 1 1 26 CYS HB3 . 26 . HB1 1 2
133 1 2 1 1 27 PRO QD . 27 . HD# 1 2
134 1 1 1 1 27 PRO HA . 27 . HA 1 2
134 1 2 1 1 28 THR H . 28 . HN 1 2
135 1 1 1 1 27 PRO QD . 27 . HD# 1 2
135 1 2 1 1 30 CYS HA . 30 . HA 1 2
136 1 1 1 1 27 PRO QD . 27 . HD# 1 2
136 1 2 1 1 30 CYS HB3 . 30 . HB1 1 2
137 1 1 1 1 27 PRO QD . 27 . HD# 1 2
137 1 2 1 1 30 CYS HB2 . 30 . HB2 1 2
138 1 1 1 1 28 THR HA . 28 . HA 1 2
138 1 2 1 1 29 GLY H . 29 . HN 1 2
139 1 1 1 1 28 THR H . 28 . HN 1 2
139 1 2 1 1 29 GLY H . 29 . HN 1 2
140 1 1 1 1 28 THR HA . 28 . HA 1 2
140 1 2 1 1 30 CYS H . 30 . HN 1 2
141 1 1 1 1 28 THR H . 28 . HN 1 2
141 1 2 1 1 28 THR HB . 28 . HB 1 2
142 1 1 1 1 28 THR H . 28 . HN 1 2
142 1 2 1 1 28 THR MG . 28 . HG2# 1 2
143 1 1 1 1 28 THR MG . 28 . HG2# 1 2
143 1 2 1 1 29 GLY H . 29 . HN 1 2
144 1 1 1 1 29 GLY QA . 29 . HA# 1 2
144 1 2 1 1 30 CYS H . 30 . HN 1 2
145 1 1 1 1 29 GLY H . 29 . HN 1 2
145 1 2 1 1 30 CYS H . 30 . HN 1 2
146 1 1 1 1 30 CYS HA . 30 . HA 1 2
146 1 2 1 1 31 ASN H . 31 . HN 1 2
147 1 1 1 1 30 CYS H . 30 . HN 1 2
147 1 2 1 1 31 ASN H . 31 . HN 1 2
148 1 1 1 1 30 CYS HA . 30 . HA 1 2
148 1 2 1 1 32 SER H . 32 . HN 1 2
149 1 1 1 1 30 CYS H . 30 . HN 1 2
149 1 2 1 1 30 CYS HB3 . 30 . HB1 1 2
150 1 1 1 1 30 CYS H . 30 . HN 1 2
150 1 2 1 1 30 CYS HB2 . 30 . HB2 1 2
151 1 1 1 1 30 CYS HB2 . 30 . HB2 1 2
151 1 2 1 1 31 ASN H . 31 . HN 1 2
152 1 1 1 1 31 ASN H . 31 . HN 1 2
152 1 2 1 1 32 SER H . 32 . HN 1 2
153 1 1 1 1 31 ASN QB . 31 . HB# 1 2
153 1 2 1 1 32 SER H . 32 . HN 1 2
154 1 1 1 1 32 SER HA . 32 . HA 1 2
154 1 2 1 1 33 ASP H . 33 . HN 1 2
155 1 1 1 1 33 ASP HA . 33 . HA 1 2
155 1 2 1 1 34 ASP H . 34 . HN 1 2
156 1 1 1 1 33 ASP QB . 33 . HB# 1 2
156 1 2 1 1 34 ASP H . 34 . HN 1 2
157 1 1 1 1 33 ASP HA . 33 . HA 1 2
157 1 2 1 1 36 CYS HB3 . 36 . HB1 1 2
158 1 1 1 1 33 ASP HA . 33 . HA 1 2
158 1 2 1 1 36 CYS HB2 . 36 . HB2 1 2
159 1 1 1 1 34 ASP HA . 34 . HA 1 2
159 1 2 1 1 35 LYS H . 35 . HN 1 2
160 1 1 1 1 34 ASP H . 34 . HN 1 2
160 1 2 1 1 35 LYS H . 35 . HN 1 2
161 1 1 1 1 34 ASP QB . 34 . HB# 1 2
161 1 2 1 1 35 LYS H . 35 . HN 1 2
162 1 1 1 1 34 ASP HA . 34 . HA 1 2
162 1 2 1 1 36 CYS H . 36 . HN 1 2
163 1 1 1 1 34 ASP H . 34 . HN 1 2
163 1 2 1 1 36 CYS H . 36 . HN 1 2
164 1 1 1 1 35 LYS HA . 35 . HA 1 2
164 1 2 1 1 36 CYS H . 36 . HN 1 2
165 1 1 1 1 35 LYS H . 35 . HN 1 2
165 1 2 1 1 36 CYS H . 36 . HN 1 2
166 1 1 1 1 35 LYS QB . 35 . HB# 1 2
166 1 2 1 1 36 CYS H . 36 . HN 1 2
167 1 1 1 1 35 LYS H . 35 . HN 1 2
167 1 2 1 1 35 LYS QG . 35 . HG# 1 2
168 1 1 1 1 36 CYS H . 36 . HN 1 2
168 1 2 1 1 36 CYS HB3 . 36 . HB1 1 2
169 1 1 1 1 36 CYS H . 36 . HN 1 2
169 1 2 1 1 36 CYS HB2 . 36 . HB2 1 2
170 1 1 1 1 36 CYS HA . 36 . HA 1 2
170 1 2 1 1 37 PRO QG . 37 . HG# 1 2
171 1 1 1 1 37 PRO HA . 37 . HA 1 2
171 1 2 1 1 38 CYS H . 38 . HN 1 2
172 1 1 1 1 37 PRO QD . 37 . HD# 1 2
172 1 2 1 1 38 CYS H . 38 . HN 1 2
173 1 1 1 1 38 CYS HA . 38 . HA 1 2
173 1 2 1 1 39 GLY H . 39 . HN 1 2
174 1 1 1 1 38 CYS H . 38 . HN 1 2
174 1 2 1 1 39 GLY H . 39 . HN 1 2
175 1 1 1 1 38 CYS HB2 . 38 . HB2 1 2
175 1 2 1 1 39 GLY H . 39 . HN 1 2
176 1 1 1 1 38 CYS H . 38 . HN 1 2
176 1 2 1 1 38 CYS HB3 . 38 . HB1 1 2
177 1 1 1 1 38 CYS H . 38 . HN 1 2
177 1 2 1 1 38 CYS HB2 . 38 . HB2 1 2
178 1 1 1 1 39 GLY QA . 39 . HA# 1 2
178 1 2 1 1 40 ASN H . 40 . HN 1 2
179 1 1 1 1 39 GLY H . 39 . HN 1 2
179 1 2 1 1 40 ASN H . 40 . HN 1 2
180 1 1 1 1 40 ASN H . 40 . HN 1 2
180 1 2 1 1 40 ASN QD . 40 . HD2# 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 . . . . . 1.8 1.8 3.6 1 2
2 1 . . . . . 1.8 1.8 4.5 1 2
3 1 . . . . . 1.8 1.8 3.6 1 2
4 1 . . . . . 1.8 1.8 4.5 1 2
5 1 . . . . . 1.8 1.8 5.5 1 2
6 1 . . . . . 1.8 1.8 5.5 1 2
7 1 . . . . . 1.8 1.8 4.5 1 2
8 1 . . . . . 1.8 1.8 4.5 1 2
9 1 . . . . . 1.8 1.8 5.5 1 2
10 1 . . . . . 1.8 1.8 4.5 1 2
11 1 . . . . . 1.8 1.8 4.5 1 2
12 1 . . . . . 1.8 1.8 4.5 1 2
13 1 . . . . . 1.8 1.8 4.5 1 2
14 1 . . . . . 1.8 1.8 4.5 1 2
15 1 . . . . . 1.8 1.8 4.5 1 2
16 1 . . . . . 1.8 1.8 4.5 1 2
17 1 . . . . . 1.8 1.8 4.5 1 2
18 1 . . . . . 1.8 1.8 4.5 1 2
19 1 . . . . . 1.8 1.8 5.5 1 2
20 1 . . . . . 1.8 1.8 2.7 1 2
21 1 . . . . . 1.8 1.8 4.5 1 2
22 1 . . . . . 1.8 1.8 5.5 1 2
23 1 . . . . . 1.8 1.8 4.5 1 2
24 1 . . . . . 1.8 1.8 3.2 1 2
25 1 . . . . . 1.8 1.8 3.2 1 2
26 1 . . . . . 1.8 1.8 4.5 1 2
27 1 . . . . . 1.8 1.8 4.5 1 2
28 1 . . . . . 1.8 1.8 3.2 1 2
29 1 . . . . . 1.8 1.8 3.2 1 2
30 1 . . . . . 1.8 1.8 3.6 1 2
31 1 . . . . . 1.8 1.8 4.5 1 2
32 1 . . . . . 1.8 1.8 3.6 1 2
33 1 . . . . . 1.8 1.8 3.2 1 2
34 1 . . . . . 1.8 1.8 5.5 1 2
35 1 . . . . . 1.8 1.8 6.5 1 2
36 1 . . . . . 1.8 1.8 2.7 1 2
37 1 . . . . . 1.8 1.8 4.5 1 2
38 1 . . . . . 1.8 1.8 3.2 1 2
39 1 . . . . . 1.8 1.8 3.2 1 2
40 1 . . . . . 1.8 1.8 4.5 1 2
41 1 . . . . . 1.8 1.8 3.2 1 2
42 1 . . . . . 1.8 1.8 2.7 1 2
43 1 . . . . . 1.8 1.8 4.5 1 2
44 1 . . . . . 1.8 1.8 4.5 1 2
45 1 . . . . . 1.8 1.8 3.2 1 2
46 1 . . . . . 1.8 1.8 3.2 1 2
47 1 . . . . . 1.8 1.8 3.2 1 2
48 1 . . . . . 1.8 1.8 3.2 1 2
49 1 . . . . . 1.8 1.8 4.6 1 2
50 1 . . . . . 1.8 1.8 3.7 1 2
51 1 . . . . . 1.8 1.8 4.6 1 2
52 1 . . . . . 1.8 1.8 4.5 1 2
53 1 . . . . . 1.8 1.8 4.5 1 2
54 1 . . . . . 1.8 1.8 4.5 1 2
55 1 . . . . . 1.8 1.8 3.2 1 2
56 1 . . . . . 1.8 1.8 2.7 1 2
57 1 . . . . . 1.8 1.8 4.5 1 2
58 1 . . . . . 1.8 1.8 4.5 1 2
59 1 . . . . . 1.8 1.8 4.5 1 2
60 1 . . . . . 1.8 1.8 3.6 1 2
61 1 . . . . . 1.8 1.8 3.6 1 2
62 1 . . . . . 1.8 1.8 3.2 1 2
63 1 . . . . . 1.8 1.8 3.6 1 2
64 1 . . . . . 1.8 1.8 4.5 1 2
65 1 . . . . . 1.8 1.8 5.5 1 2
66 1 . . . . . 1.8 1.8 3.2 1 2
67 1 . . . . . 1.8 1.8 4.5 1 2
68 1 . . . . . 1.8 1.8 4.5 1 2
69 1 . . . . . 1.8 1.8 3.2 1 2
70 1 . . . . . 1.8 1.8 4.2 1 2
71 1 . . . . . 1.8 1.8 3.2 1 2
72 1 . . . . . 1.8 1.8 4.5 1 2
73 1 . . . . . 1.8 1.8 3.2 1 2
74 1 . . . . . 1.8 1.8 2.7 1 2
75 1 . . . . . 1.8 1.8 3.2 1 2
76 1 . . . . . 1.8 1.8 2.7 1 2
77 1 . . . . . 1.8 1.8 3.2 1 2
78 1 . . . . . 1.8 1.8 2.7 1 2
79 1 . . . . . 1.8 1.8 4.5 1 2
80 1 . . . . . 1.8 1.8 3.7 1 2
81 1 . . . . . 1.8 1.8 3.7 1 2
82 1 . . . . . 1.8 1.8 2.7 1 2
83 1 . . . . . 1.8 1.8 3.6 1 2
84 1 . . . . . 1.8 1.8 3.2 1 2
85 1 . . . . . 1.8 1.8 3.2 1 2
86 1 . . . . . 1.8 1.8 4.2 1 2
87 1 . . . . . 1.8 1.8 3.6 1 2
88 1 . . . . . 1.8 1.8 4.5 1 2
89 1 . . . . . 1.8 1.8 3.6 1 2
90 1 . . . . . 1.8 1.8 3.7 1 2
91 1 . . . . . 1.8 1.8 5.5 1 2
92 1 . . . . . 1.8 1.8 3.2 1 2
93 1 . . . . . 1.8 1.8 3.2 1 2
94 1 . . . . . 1.8 1.8 4.2 1 2
95 1 . . . . . 1.8 1.8 4.5 1 2
96 1 . . . . . 1.8 1.8 3.7 1 2
97 1 . . . . . 1.8 1.8 3.2 1 2
98 1 . . . . . 1.8 1.8 3.2 1 2
99 1 . . . . . 1.8 1.8 5.5 1 2
100 1 . . . . . 1.8 1.8 3.6 1 2
101 1 . . . . . 1.8 1.8 4.5 1 2
102 1 . . . . . 1.8 1.8 4.5 1 2
103 1 . . . . . 1.8 1.8 4.5 1 2
104 1 . . . . . 1.8 1.8 3.2 1 2
105 1 . . . . . 1.8 1.8 3.6 1 2
106 1 . . . . . 1.8 1.8 5.5 1 2
107 1 . . . . . 1.8 1.8 3.2 1 2
108 1 . . . . . 1.8 1.8 3.2 1 2
109 1 . . . . . 1.8 1.8 4.6 1 2
110 1 . . . . . 1.8 1.8 6.5 1 2
111 1 . . . . . 1.8 1.8 4.2 1 2
112 1 . . . . . 1.8 1.8 5.5 1 2
113 1 . . . . . 1.8 1.8 3.2 1 2
114 1 . . . . . 1.8 1.8 3.2 1 2
115 1 . . . . . 1.8 1.8 4.6 1 2
116 1 . . . . . 1.8 1.8 4.2 1 2
117 1 . . . . . 1.8 1.8 3.2 1 2
118 1 . . . . . 1.8 1.8 3.6 1 2
119 1 . . . . . 1.8 1.8 5.5 1 2
120 1 . . . . . 1.8 1.8 3.2 1 2
121 1 . . . . . 1.8 1.8 4.5 1 2
122 1 . . . . . 1.8 1.8 3.2 1 2
123 1 . . . . . 1.8 1.8 3.2 1 2
124 1 . . . . . 1.8 1.8 4.5 1 2
125 1 . . . . . 1.8 1.8 4.5 1 2
126 1 . . . . . 1.8 1.8 3.6 1 2
127 1 . . . . . 1.8 1.8 3.6 1 2
128 1 . . . . . 1.8 1.8 3.6 1 2
129 1 . . . . . 1.8 1.8 4.5 1 2
130 1 . . . . . 1.8 1.8 5.5 1 2
131 1 . . . . . 1.8 1.8 2.7 1 2
132 1 . . . . . 1.8 1.8 3.6 1 2
133 1 . . . . . 1.8 1.8 5.5 1 2
134 1 . . . . . 1.8 1.8 2.7 1 2
135 1 . . . . . 1.8 1.8 5.5 1 2
136 1 . . . . . 1.8 1.8 5.5 1 2
137 1 . . . . . 1.8 1.8 5.5 1 2
138 1 . . . . . 1.8 1.8 2.7 1 2
139 1 . . . . . 1.8 1.8 4.5 1 2
140 1 . . . . . 1.8 1.8 3.2 1 2
141 1 . . . . . 1.8 1.8 3.2 1 2
142 1 . . . . . 1.8 1.8 4.7 1 2
143 1 . . . . . 1.8 1.8 4.7 1 2
144 1 . . . . . 1.8 1.8 4.2 1 2
145 1 . . . . . 1.8 1.8 3.2 1 2
146 1 . . . . . 1.8 1.8 2.7 1 2
147 1 . . . . . 1.8 1.8 4.5 1 2
148 1 . . . . . 1.8 1.8 3.2 1 2
149 1 . . . . . 1.8 1.8 2.7 1 2
150 1 . . . . . 1.8 1.8 2.7 1 2
151 1 . . . . . 1.8 1.8 4.5 1 2
152 1 . . . . . 1.8 1.8 2.7 1 2
153 1 . . . . . 1.8 1.8 4.6 1 2
154 1 . . . . . 1.8 1.8 3.2 1 2
155 1 . . . . . 1.8 1.8 3.2 1 2
156 1 . . . . . 1.8 1.8 4.2 1 2
157 1 . . . . . 1.8 1.8 4.5 1 2
158 1 . . . . . 1.8 1.8 4.5 1 2
159 1 . . . . . 1.8 1.8 2.7 1 2
160 1 . . . . . 1.8 1.8 3.6 1 2
161 1 . . . . . 1.8 1.8 5.5 1 2
162 1 . . . . . 1.8 1.8 3.6 1 2
163 1 . . . . . 1.8 1.8 4.5 1 2
164 1 . . . . . 1.8 1.8 2.7 1 2
165 1 . . . . . 1.8 1.8 2.7 1 2
166 1 . . . . . 1.8 1.8 4.6 1 2
167 1 . . . . . 1.8 1.8 4.6 1 2
168 1 . . . . . 1.8 1.8 2.7 1 2
169 1 . . . . . 1.8 1.8 2.7 1 2
170 1 . . . . . 1.8 1.8 5.5 1 2
171 1 . . . . . 1.8 1.8 4.5 1 2
172 1 . . . . . 1.8 1.8 4.2 1 2
173 1 . . . . . 1.8 1.8 2.7 1 2
174 1 . . . . . 1.8 1.8 4.5 1 2
175 1 . . . . . 1.8 1.8 3.6 1 2
176 1 . . . . . 1.8 1.8 2.7 1 2
177 1 . . . . . 1.8 1.8 2.7 1 2
178 1 . . . . . 1.8 1.8 4.2 1 2
179 1 . . . . . 1.8 1.8 3.2 1 2
180 1 . . . . . 1.8 1.8 5.5 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 GLN C C 9.623 -0.279 -8.962 1.00 . A A . 1 GLN C 1 1
1 2 1 1 1 GLN CA C 8.543 -0.145 -10.039 1.00 . A A . 1 GLN CA 1 1
1 3 1 1 1 GLN CB C 9.045 -0.704 -11.371 1.00 . A A . 1 GLN CB 1 1
1 4 1 1 1 GLN CD C 7.729 -1.725 -13.233 1.00 . A A . 1 GLN CD 1 1
1 5 1 1 1 GLN CG C 8.008 -0.434 -12.463 1.00 . A A . 1 GLN CG 1 1
1 6 1 1 1 GLN H1 H 8.132 1.795 -9.403 1.00 . A A . 1 GLN H1 1 1
1 7 1 1 1 GLN H2 H 9.054 1.713 -10.827 1.00 . A A . 1 GLN H2 1 1
1 8 1 1 1 GLN H3 H 7.393 1.376 -10.875 1.00 . A A . 1 GLN H3 1 1
1 9 1 1 1 GLN HA H 7.644 -0.659 -9.738 1.00 . A A . 1 GLN HA 1 1
1 10 1 1 1 GLN HB2 H 9.978 -0.225 -11.633 1.00 . A A . 1 GLN HB2 1 1
1 11 1 1 1 GLN HB3 H 9.199 -1.769 -11.279 1.00 . A A . 1 GLN HB3 1 1
1 12 1 1 1 GLN HE21 H 6.154 -0.983 -14.189 1.00 . A A . 1 GLN HE21 1 1
1 13 1 1 1 GLN HE22 H 6.536 -2.594 -14.561 1.00 . A A . 1 GLN HE22 1 1
1 14 1 1 1 GLN HG2 H 7.093 -0.078 -12.012 1.00 . A A . 1 GLN HG2 1 1
1 15 1 1 1 GLN HG3 H 8.388 0.314 -13.144 1.00 . A A . 1 GLN HG3 1 1
1 16 1 1 1 GLN N N 8.259 1.294 -10.306 1.00 . A A . 1 GLN N 1 1
1 17 1 1 1 GLN NE2 N 6.723 -1.771 -14.063 1.00 . A A . 1 GLN NE2 1 1
1 18 1 1 1 GLN O O 9.551 -1.128 -8.097 1.00 . A A . 1 GLN O 1 1
1 19 1 1 1 GLN OE1 O 8.434 -2.702 -13.079 1.00 . A A . 1 GLN OE1 1 1
1 20 1 1 2 ASN C C 11.594 1.635 -7.002 1.00 . A A . 2 ASN C 1 1
1 21 1 1 2 ASN CA C 11.713 0.476 -7.995 1.00 . A A . 2 ASN CA 1 1
1 22 1 1 2 ASN CB C 13.011 0.585 -8.796 1.00 . A A . 2 ASN CB 1 1
1 23 1 1 2 ASN CG C 13.004 1.884 -9.604 1.00 . A A . 2 ASN CG 1 1
1 24 1 1 2 ASN H H 10.665 1.231 -9.720 1.00 . A A . 2 ASN H 1 1
1 25 1 1 2 ASN HA H 11.678 -0.469 -7.477 1.00 . A A . 2 ASN HA 1 1
1 26 1 1 2 ASN HB2 H 13.853 0.587 -8.118 1.00 . A A . 2 ASN HB2 1 1
1 27 1 1 2 ASN HB3 H 13.091 -0.255 -9.468 1.00 . A A . 2 ASN HB3 1 1
1 28 1 1 2 ASN HD21 H 13.330 3.037 -8.022 1.00 . A A . 2 ASN HD21 1 1
1 29 1 1 2 ASN HD22 H 13.187 3.858 -9.500 1.00 . A A . 2 ASN HD22 1 1
1 30 1 1 2 ASN N N 10.626 0.554 -9.013 1.00 . A A . 2 ASN N 1 1
1 31 1 1 2 ASN ND2 N 13.189 3.020 -8.991 1.00 . A A . 2 ASN ND2 1 1
1 32 1 1 2 ASN O O 12.548 2.001 -6.344 1.00 . A A . 2 ASN O 1 1
1 33 1 1 2 ASN OD1 O 12.826 1.863 -10.807 1.00 . A A . 2 ASN OD1 1 1
1 34 1 1 3 GLU C C 8.842 3.334 -5.346 1.00 . A A . 3 GLU C 1 1
1 35 1 1 3 GLU CA C 10.255 3.350 -5.936 1.00 . A A . 3 GLU CA 1 1
1 36 1 1 3 GLU CB C 10.470 4.609 -6.778 1.00 . A A . 3 GLU CB 1 1
1 37 1 1 3 GLU CD C 12.057 6.395 -6.038 1.00 . A A . 3 GLU CD 1 1
1 38 1 1 3 GLU CG C 11.941 5.025 -6.711 1.00 . A A . 3 GLU CG 1 1
1 39 1 1 3 GLU H H 9.673 1.906 -7.426 1.00 . A A . 3 GLU H 1 1
1 40 1 1 3 GLU HA H 10.993 3.301 -5.151 1.00 . A A . 3 GLU HA 1 1
1 41 1 1 3 GLU HB2 H 10.199 4.405 -7.803 1.00 . A A . 3 GLU HB2 1 1
1 42 1 1 3 GLU HB3 H 9.854 5.408 -6.395 1.00 . A A . 3 GLU HB3 1 1
1 43 1 1 3 GLU HG2 H 12.496 4.294 -6.140 1.00 . A A . 3 GLU HG2 1 1
1 44 1 1 3 GLU HG3 H 12.345 5.083 -7.711 1.00 . A A . 3 GLU HG3 1 1
1 45 1 1 3 GLU N N 10.431 2.216 -6.888 1.00 . A A . 3 GLU N 1 1
1 46 1 1 3 GLU O O 7.882 3.002 -6.013 1.00 . A A . 3 GLU O 1 1
1 47 1 1 3 GLU OE1 O 11.488 7.340 -6.560 1.00 . A A . 3 GLU OE1 1 1
1 48 1 1 3 GLU OE2 O 12.713 6.475 -5.012 1.00 . A A . 3 GLU OE2 1 1
1 49 1 1 4 GLY C C 7.222 4.947 -2.588 1.00 . A A . 4 GLY C 1 1
1 50 1 1 4 GLY CA C 7.358 3.705 -3.465 1.00 . A A . 4 GLY CA 1 1
1 51 1 1 4 GLY H H 9.494 3.963 -3.579 1.00 . A A . 4 GLY H 1 1
1 52 1 1 4 GLY HA2 H 6.599 3.719 -4.234 1.00 . A A . 4 GLY HA2 1 1
1 53 1 1 4 GLY HA3 H 7.238 2.825 -2.855 1.00 . A A . 4 GLY HA3 1 1
1 54 1 1 4 GLY N N 8.707 3.695 -4.099 1.00 . A A . 4 GLY N 1 1
1 55 1 1 4 GLY O O 7.598 6.035 -2.976 1.00 . A A . 4 GLY O 1 1
1 56 1 1 5 HIS C C 6.397 5.520 0.933 1.00 . A A . 5 HIS C 1 1
1 57 1 1 5 HIS CA C 6.543 5.984 -0.511 1.00 . A A . 5 HIS CA 1 1
1 58 1 1 5 HIS CB C 5.270 6.725 -0.966 1.00 . A A . 5 HIS CB 1 1
1 59 1 1 5 HIS CD2 C 4.401 5.364 -3.043 1.00 . A A . 5 HIS CD2 1 1
1 60 1 1 5 HIS CE1 C 2.632 4.494 -2.150 1.00 . A A . 5 HIS CE1 1 1
1 61 1 1 5 HIS CG C 4.355 5.810 -1.747 1.00 . A A . 5 HIS CG 1 1
1 62 1 1 5 HIS H H 6.392 3.913 -1.098 1.00 . A A . 5 HIS H 1 1
1 63 1 1 5 HIS HA H 7.399 6.633 -0.609 1.00 . A A . 5 HIS HA 1 1
1 64 1 1 5 HIS HB2 H 4.744 7.092 -0.098 1.00 . A A . 5 HIS HB2 1 1
1 65 1 1 5 HIS HB3 H 5.552 7.562 -1.589 1.00 . A A . 5 HIS HB3 1 1
1 66 1 1 5 HIS HD1 H 2.890 5.368 -0.278 1.00 . A A . 5 HIS HD1 1 1
1 67 1 1 5 HIS HD2 H 5.171 5.605 -3.753 1.00 . A A . 5 HIS HD2 1 1
1 68 1 1 5 HIS HE1 H 1.731 3.914 -2.005 1.00 . A A . 5 HIS HE1 1 1
1 69 1 1 5 HIS N N 6.691 4.800 -1.405 1.00 . A A . 5 HIS N 1 1
1 70 1 1 5 HIS ND1 N 3.216 5.242 -1.194 1.00 . A A . 5 HIS ND1 1 1
1 71 1 1 5 HIS NE2 N 3.315 4.539 -3.296 1.00 . A A . 5 HIS NE2 1 1
1 72 1 1 5 HIS O O 7.359 5.420 1.667 1.00 . A A . 5 HIS O 1 1
1 73 1 1 6 GLU C C 3.638 4.050 2.848 1.00 . A A . 6 GLU C 1 1
1 74 1 1 6 GLU CA C 4.980 4.770 2.738 1.00 . A A . 6 GLU CA 1 1
1 75 1 1 6 GLU CB C 4.980 6.044 3.581 1.00 . A A . 6 GLU CB 1 1
1 76 1 1 6 GLU CD C 6.913 7.624 3.698 1.00 . A A . 6 GLU CD 1 1
1 77 1 1 6 GLU CG C 6.376 6.269 4.164 1.00 . A A . 6 GLU CG 1 1
1 78 1 1 6 GLU H H 4.440 5.319 0.724 1.00 . A A . 6 GLU H 1 1
1 79 1 1 6 GLU HA H 5.783 4.121 3.050 1.00 . A A . 6 GLU HA 1 1
1 80 1 1 6 GLU HB2 H 4.707 6.886 2.961 1.00 . A A . 6 GLU HB2 1 1
1 81 1 1 6 GLU HB3 H 4.268 5.944 4.386 1.00 . A A . 6 GLU HB3 1 1
1 82 1 1 6 GLU HG2 H 6.323 6.253 5.243 1.00 . A A . 6 GLU HG2 1 1
1 83 1 1 6 GLU HG3 H 7.038 5.486 3.824 1.00 . A A . 6 GLU HG3 1 1
1 84 1 1 6 GLU N N 5.198 5.233 1.341 1.00 . A A . 6 GLU N 1 1
1 85 1 1 6 GLU O O 2.601 4.671 2.977 1.00 . A A . 6 GLU O 1 1
1 86 1 1 6 GLU OE1 O 6.178 8.593 3.790 1.00 . A A . 6 GLU OE1 1 1
1 87 1 1 6 GLU OE2 O 8.049 7.669 3.258 1.00 . A A . 6 GLU OE2 1 1
1 88 1 1 7 CYS C C 2.019 1.825 4.368 1.00 . A A . 7 CYS C 1 1
1 89 1 1 7 CYS CA C 2.380 2.010 2.908 1.00 . A A . 7 CYS CA 1 1
1 90 1 1 7 CYS CB C 2.618 0.667 2.196 1.00 . A A . 7 CYS CB 1 1
1 91 1 1 7 CYS H H 4.460 2.258 2.705 1.00 . A A . 7 CYS H 1 1
1 92 1 1 7 CYS HA H 1.596 2.551 2.401 1.00 . A A . 7 CYS HA 1 1
1 93 1 1 7 CYS HB2 H 2.429 0.797 1.171 1.00 . A A . 7 CYS HB2 1 1
1 94 1 1 7 CYS HB3 H 3.633 0.361 2.312 1.00 . A A . 7 CYS HB3 1 1
1 95 1 1 7 CYS N N 3.640 2.746 2.802 1.00 . A A . 7 CYS N 1 1
1 96 1 1 7 CYS O O 2.233 0.786 4.960 1.00 . A A . 7 CYS O 1 1
1 97 1 1 7 CYS SG S 1.513 -0.626 2.817 1.00 . A A . 7 CYS SG 1 1
1 98 1 1 8 GLN C C -0.426 1.919 6.189 1.00 . A A . 8 GLN C 1 1
1 99 1 1 8 GLN CA C 0.915 2.640 6.314 1.00 . A A . 8 GLN CA 1 1
1 100 1 1 8 GLN CB C 0.736 4.057 6.864 1.00 . A A . 8 GLN CB 1 1
1 101 1 1 8 GLN CD C 3.060 3.797 7.750 1.00 . A A . 8 GLN CD 1 1
1 102 1 1 8 GLN CG C 1.638 4.251 8.085 1.00 . A A . 8 GLN CG 1 1
1 103 1 1 8 GLN H H 1.169 3.611 4.423 1.00 . A A . 8 GLN H 1 1
1 104 1 1 8 GLN HA H 1.616 2.073 6.907 1.00 . A A . 8 GLN HA 1 1
1 105 1 1 8 GLN HB2 H 1.002 4.774 6.101 1.00 . A A . 8 GLN HB2 1 1
1 106 1 1 8 GLN HB3 H -0.294 4.203 7.153 1.00 . A A . 8 GLN HB3 1 1
1 107 1 1 8 GLN HE21 H 2.813 1.981 8.515 1.00 . A A . 8 GLN HE21 1 1
1 108 1 1 8 GLN HE22 H 4.347 2.289 7.858 1.00 . A A . 8 GLN HE22 1 1
1 109 1 1 8 GLN HG2 H 1.649 5.296 8.360 1.00 . A A . 8 GLN HG2 1 1
1 110 1 1 8 GLN HG3 H 1.259 3.666 8.909 1.00 . A A . 8 GLN HG3 1 1
1 111 1 1 8 GLN N N 1.390 2.804 4.933 1.00 . A A . 8 GLN N 1 1
1 112 1 1 8 GLN NE2 N 3.438 2.588 8.067 1.00 . A A . 8 GLN NE2 1 1
1 113 1 1 8 GLN O O -1.231 1.892 7.099 1.00 . A A . 8 GLN O 1 1
1 114 1 1 8 GLN OE1 O 3.835 4.549 7.194 1.00 . A A . 8 GLN OE1 1 1
1 115 1 1 9 CYS C C -2.253 -0.381 5.833 1.00 . A A . 9 CYS C 1 1
1 116 1 1 9 CYS CA C -1.928 0.641 4.760 1.00 . A A . 9 CYS CA 1 1
1 117 1 1 9 CYS CB C -1.681 -0.036 3.424 1.00 . A A . 9 CYS CB 1 1
1 118 1 1 9 CYS H H -0.006 1.390 4.292 1.00 . A A . 9 CYS H 1 1
1 119 1 1 9 CYS HA H -2.746 1.332 4.659 1.00 . A A . 9 CYS HA 1 1
1 120 1 1 9 CYS HB2 H -0.864 -0.733 3.512 1.00 . A A . 9 CYS HB2 1 1
1 121 1 1 9 CYS HB3 H -2.559 -0.564 3.153 1.00 . A A . 9 CYS HB3 1 1
1 122 1 1 9 CYS N N -0.666 1.346 5.022 1.00 . A A . 9 CYS N 1 1
1 123 1 1 9 CYS O O -1.451 -1.213 6.207 1.00 . A A . 9 CYS O 1 1
1 124 1 1 9 CYS SG S -1.308 1.219 2.157 1.00 . A A . 9 CYS SG 1 1
1 125 1 1 10 GLN C C -5.041 -2.125 6.623 1.00 . A A . 10 GLN C 1 1
1 126 1 1 10 GLN CA C -3.949 -1.299 7.290 1.00 . A A . 10 GLN CA 1 1
1 127 1 1 10 GLN CB C -4.521 -0.452 8.429 1.00 . A A . 10 GLN CB 1 1
1 128 1 1 10 GLN CD C -4.072 1.536 9.876 1.00 . A A . 10 GLN CD 1 1
1 129 1 1 10 GLN CG C -3.436 0.484 8.966 1.00 . A A . 10 GLN CG 1 1
1 130 1 1 10 GLN H H -4.079 0.333 5.911 1.00 . A A . 10 GLN H 1 1
1 131 1 1 10 GLN HA H -3.146 -1.927 7.644 1.00 . A A . 10 GLN HA 1 1
1 132 1 1 10 GLN HB2 H -5.351 0.133 8.060 1.00 . A A . 10 GLN HB2 1 1
1 133 1 1 10 GLN HB3 H -4.861 -1.099 9.223 1.00 . A A . 10 GLN HB3 1 1
1 134 1 1 10 GLN HE21 H -2.618 1.451 11.226 1.00 . A A . 10 GLN HE21 1 1
1 135 1 1 10 GLN HE22 H -3.870 2.544 11.575 1.00 . A A . 10 GLN HE22 1 1
1 136 1 1 10 GLN HG2 H -2.712 -0.090 9.528 1.00 . A A . 10 GLN HG2 1 1
1 137 1 1 10 GLN HG3 H -2.943 0.976 8.141 1.00 . A A . 10 GLN HG3 1 1
1 138 1 1 10 GLN N N -3.463 -0.332 6.281 1.00 . A A . 10 GLN N 1 1
1 139 1 1 10 GLN NE2 N -3.470 1.872 10.984 1.00 . A A . 10 GLN NE2 1 1
1 140 1 1 10 GLN O O -5.829 -2.788 7.269 1.00 . A A . 10 GLN O 1 1
1 141 1 1 10 GLN OE1 O -5.127 2.058 9.576 1.00 . A A . 10 GLN OE1 1 1
1 142 1 1 11 CYS C C -6.072 -4.303 4.926 1.00 . A A . 11 CYS C 1 1
1 143 1 1 11 CYS CA C -6.106 -2.818 4.555 1.00 . A A . 11 CYS CA 1 1
1 144 1 1 11 CYS CB C -5.688 -2.623 3.099 1.00 . A A . 11 CYS CB 1 1
1 145 1 1 11 CYS H H -4.445 -1.520 4.819 1.00 . A A . 11 CYS H 1 1
1 146 1 1 11 CYS HA H -7.087 -2.404 4.716 1.00 . A A . 11 CYS HA 1 1
1 147 1 1 11 CYS HB2 H -4.762 -3.142 2.918 1.00 . A A . 11 CYS HB2 1 1
1 148 1 1 11 CYS HB3 H -6.440 -3.024 2.473 1.00 . A A . 11 CYS HB3 1 1
1 149 1 1 11 CYS N N -5.088 -2.069 5.314 1.00 . A A . 11 CYS N 1 1
1 150 1 1 11 CYS O O -5.585 -4.687 5.971 1.00 . A A . 11 CYS O 1 1
1 151 1 1 11 CYS SG S -5.471 -0.861 2.719 1.00 . A A . 11 CYS SG 1 1
1 152 1 1 12 GLY C C -5.382 -7.235 3.625 1.00 . A A . 12 GLY C 1 1
1 153 1 1 12 GLY CA C -6.566 -6.603 4.350 1.00 . A A . 12 GLY CA 1 1
1 154 1 1 12 GLY H H -6.949 -4.811 3.226 1.00 . A A . 12 GLY H 1 1
1 155 1 1 12 GLY HA2 H -6.471 -6.764 5.415 1.00 . A A . 12 GLY HA2 1 1
1 156 1 1 12 GLY HA3 H -7.483 -7.048 3.995 1.00 . A A . 12 GLY HA3 1 1
1 157 1 1 12 GLY N N -6.575 -5.142 4.066 1.00 . A A . 12 GLY N 1 1
1 158 1 1 12 GLY O O -4.875 -8.267 4.017 1.00 . A A . 12 GLY O 1 1
1 159 1 1 13 SER C C -2.508 -6.375 2.158 1.00 . A A . 13 SER C 1 1
1 160 1 1 13 SER CA C -3.771 -7.164 1.820 1.00 . A A . 13 SER CA 1 1
1 161 1 1 13 SER CB C -4.135 -7.009 0.344 1.00 . A A . 13 SER CB 1 1
1 162 1 1 13 SER H H -5.352 -5.776 2.278 1.00 . A A . 13 SER H 1 1
1 163 1 1 13 SER HA H -3.635 -8.199 2.063 1.00 . A A . 13 SER HA 1 1
1 164 1 1 13 SER HB2 H -4.981 -6.349 0.247 1.00 . A A . 13 SER HB2 1 1
1 165 1 1 13 SER HB3 H -3.293 -6.591 -0.191 1.00 . A A . 13 SER HB3 1 1
1 166 1 1 13 SER HG H -5.387 -8.251 -0.479 1.00 . A A . 13 SER HG 1 1
1 167 1 1 13 SER N N -4.931 -6.612 2.570 1.00 . A A . 13 SER N 1 1
1 168 1 1 13 SER O O -1.432 -6.660 1.673 1.00 . A A . 13 SER O 1 1
1 169 1 1 13 SER OG O -4.471 -8.282 -0.193 1.00 . A A . 13 SER OG 1 1
1 170 1 1 14 CYS C C -1.034 -4.978 4.784 1.00 . A A . 14 CYS C 1 1
1 171 1 1 14 CYS CA C -1.470 -4.580 3.391 1.00 . A A . 14 CYS CA 1 1
1 172 1 1 14 CYS CB C -1.997 -3.162 3.380 1.00 . A A . 14 CYS CB 1 1
1 173 1 1 14 CYS H H -3.505 -5.183 3.378 1.00 . A A . 14 CYS H 1 1
1 174 1 1 14 CYS HA H -0.680 -4.690 2.700 1.00 . A A . 14 CYS HA 1 1
1 175 1 1 14 CYS HB2 H -3.043 -3.162 3.630 1.00 . A A . 14 CYS HB2 1 1
1 176 1 1 14 CYS HB3 H -1.467 -2.590 4.102 1.00 . A A . 14 CYS HB3 1 1
1 177 1 1 14 CYS N N -2.636 -5.390 2.997 1.00 . A A . 14 CYS N 1 1
1 178 1 1 14 CYS O O 0.132 -4.996 5.126 1.00 . A A . 14 CYS O 1 1
1 179 1 1 14 CYS SG S -1.773 -2.455 1.735 1.00 . A A . 14 CYS SG 1 1
1 180 1 1 15 LYS C C -1.136 -7.144 6.983 1.00 . A A . 15 LYS C 1 1
1 181 1 1 15 LYS CA C -1.721 -5.730 6.975 1.00 . A A . 15 LYS CA 1 1
1 182 1 1 15 LYS CB C -3.086 -5.711 7.664 1.00 . A A . 15 LYS CB 1 1
1 183 1 1 15 LYS CD C -3.624 -5.211 10.051 1.00 . A A . 15 LYS CD 1 1
1 184 1 1 15 LYS CE C -4.879 -4.452 10.486 1.00 . A A . 15 LYS CE 1 1
1 185 1 1 15 LYS CG C -3.101 -4.623 8.739 1.00 . A A . 15 LYS CG 1 1
1 186 1 1 15 LYS H H -2.903 -5.272 5.228 1.00 . A A . 15 LYS H 1 1
1 187 1 1 15 LYS HA H -1.051 -5.038 7.459 1.00 . A A . 15 LYS HA 1 1
1 188 1 1 15 LYS HB2 H -3.855 -5.508 6.933 1.00 . A A . 15 LYS HB2 1 1
1 189 1 1 15 LYS HB3 H -3.270 -6.670 8.124 1.00 . A A . 15 LYS HB3 1 1
1 190 1 1 15 LYS HD2 H -3.865 -6.254 9.906 1.00 . A A . 15 LYS HD2 1 1
1 191 1 1 15 LYS HD3 H -2.866 -5.118 10.814 1.00 . A A . 15 LYS HD3 1 1
1 192 1 1 15 LYS HE2 H -4.662 -3.397 10.593 1.00 . A A . 15 LYS HE2 1 1
1 193 1 1 15 LYS HE3 H -5.677 -4.603 9.776 1.00 . A A . 15 LYS HE3 1 1
1 194 1 1 15 LYS HG2 H -2.098 -4.248 8.885 1.00 . A A . 15 LYS HG2 1 1
1 195 1 1 15 LYS HG3 H -3.746 -3.816 8.425 1.00 . A A . 15 LYS HG3 1 1
1 196 1 1 15 LYS HZ1 H -4.389 -5.365 12.292 1.00 . A A . 15 LYS HZ1 1 1
1 197 1 1 15 LYS HZ2 H -5.727 -4.328 12.383 1.00 . A A . 15 LYS HZ2 1 1
1 198 1 1 15 LYS HZ3 H -5.885 -5.853 11.651 1.00 . A A . 15 LYS HZ3 1 1
1 199 1 1 15 LYS N N -1.991 -5.304 5.573 1.00 . A A . 15 LYS N 1 1
1 200 1 1 15 LYS NZ N -5.248 -5.044 11.802 1.00 . A A . 15 LYS NZ 1 1
1 201 1 1 15 LYS O O -0.464 -7.545 7.912 1.00 . A A . 15 LYS O 1 1
1 202 1 1 16 ASN C C 0.470 -9.304 5.111 1.00 . A A . 16 ASN C 1 1
1 203 1 1 16 ASN CA C -0.847 -9.289 5.890 1.00 . A A . 16 ASN CA 1 1
1 204 1 1 16 ASN CB C -1.915 -10.098 5.153 1.00 . A A . 16 ASN CB 1 1
1 205 1 1 16 ASN CG C -2.530 -11.124 6.105 1.00 . A A . 16 ASN CG 1 1
1 206 1 1 16 ASN H H -1.931 -7.556 5.211 1.00 . A A . 16 ASN H 1 1
1 207 1 1 16 ASN HA H -0.705 -9.683 6.884 1.00 . A A . 16 ASN HA 1 1
1 208 1 1 16 ASN HB2 H -2.687 -9.431 4.794 1.00 . A A . 16 ASN HB2 1 1
1 209 1 1 16 ASN HB3 H -1.465 -10.610 4.316 1.00 . A A . 16 ASN HB3 1 1
1 210 1 1 16 ASN HD21 H -4.396 -10.720 5.562 1.00 . A A . 16 ASN HD21 1 1
1 211 1 1 16 ASN HD22 H -4.230 -11.923 6.748 1.00 . A A . 16 ASN HD22 1 1
1 212 1 1 16 ASN N N -1.388 -7.901 5.950 1.00 . A A . 16 ASN N 1 1
1 213 1 1 16 ASN ND2 N -3.826 -11.268 6.141 1.00 . A A . 16 ASN ND2 1 1
1 214 1 1 16 ASN O O 1.483 -9.773 5.593 1.00 . A A . 16 ASN O 1 1
1 215 1 1 16 ASN OD1 O -1.824 -11.803 6.824 1.00 . A A . 16 ASN OD1 1 1
1 216 1 1 17 ASN C C 2.494 -7.482 3.368 1.00 . A A . 17 ASN C 1 1
1 217 1 1 17 ASN CA C 1.716 -8.772 3.102 1.00 . A A . 17 ASN CA 1 1
1 218 1 1 17 ASN CB C 1.250 -8.826 1.647 1.00 . A A . 17 ASN CB 1 1
1 219 1 1 17 ASN CG C 1.775 -10.104 0.990 1.00 . A A . 17 ASN CG 1 1
1 220 1 1 17 ASN H H -0.363 -8.417 3.543 1.00 . A A . 17 ASN H 1 1
1 221 1 1 17 ASN HA H 2.325 -9.634 3.327 1.00 . A A . 17 ASN HA 1 1
1 222 1 1 17 ASN HB2 H 0.170 -8.822 1.615 1.00 . A A . 17 ASN HB2 1 1
1 223 1 1 17 ASN HB3 H 1.630 -7.967 1.115 1.00 . A A . 17 ASN HB3 1 1
1 224 1 1 17 ASN HD21 H 1.361 -9.495 -0.854 1.00 . A A . 17 ASN HD21 1 1
1 225 1 1 17 ASN HD22 H 2.064 -11.035 -0.740 1.00 . A A . 17 ASN HD22 1 1
1 226 1 1 17 ASN N N 0.465 -8.792 3.911 1.00 . A A . 17 ASN N 1 1
1 227 1 1 17 ASN ND2 N 1.729 -10.221 -0.309 1.00 . A A . 17 ASN ND2 1 1
1 228 1 1 17 ASN O O 2.283 -6.474 2.721 1.00 . A A . 17 ASN O 1 1
1 229 1 1 17 ASN OD1 O 2.233 -11.004 1.665 1.00 . A A . 17 ASN OD1 1 1
1 230 1 1 18 GLU C C 5.404 -6.207 3.699 1.00 . A A . 18 GLU C 1 1
1 231 1 1 18 GLU CA C 4.183 -6.279 4.616 1.00 . A A . 18 GLU CA 1 1
1 232 1 1 18 GLU CB C 4.610 -6.428 6.077 1.00 . A A . 18 GLU CB 1 1
1 233 1 1 18 GLU CD C 3.967 -5.968 8.449 1.00 . A A . 18 GLU CD 1 1
1 234 1 1 18 GLU CG C 3.561 -5.783 6.985 1.00 . A A . 18 GLU CG 1 1
1 235 1 1 18 GLU H H 3.550 -8.325 4.819 1.00 . A A . 18 GLU H 1 1
1 236 1 1 18 GLU HA H 3.573 -5.400 4.497 1.00 . A A . 18 GLU HA 1 1
1 237 1 1 18 GLU HB2 H 4.702 -7.477 6.320 1.00 . A A . 18 GLU HB2 1 1
1 238 1 1 18 GLU HB3 H 5.561 -5.940 6.226 1.00 . A A . 18 GLU HB3 1 1
1 239 1 1 18 GLU HG2 H 3.490 -4.728 6.761 1.00 . A A . 18 GLU HG2 1 1
1 240 1 1 18 GLU HG3 H 2.603 -6.251 6.818 1.00 . A A . 18 GLU HG3 1 1
1 241 1 1 18 GLU N N 3.393 -7.504 4.312 1.00 . A A . 18 GLU N 1 1
1 242 1 1 18 GLU O O 6.271 -5.372 3.865 1.00 . A A . 18 GLU O 1 1
1 243 1 1 18 GLU OE1 O 3.935 -7.095 8.914 1.00 . A A . 18 GLU OE1 1 1
1 244 1 1 18 GLU OE2 O 4.304 -4.979 9.079 1.00 . A A . 18 GLU OE2 1 1
1 245 1 1 19 GLN C C 6.498 -5.865 0.831 1.00 . A A . 19 GLN C 1 1
1 246 1 1 19 GLN CA C 6.631 -7.045 1.789 1.00 . A A . 19 GLN CA 1 1
1 247 1 1 19 GLN CB C 6.569 -8.371 1.031 1.00 . A A . 19 GLN CB 1 1
1 248 1 1 19 GLN CD C 7.294 -10.763 1.046 1.00 . A A . 19 GLN CD 1 1
1 249 1 1 19 GLN CG C 7.443 -9.407 1.740 1.00 . A A . 19 GLN CG 1 1
1 250 1 1 19 GLN H H 4.756 -7.729 2.604 1.00 . A A . 19 GLN H 1 1
1 251 1 1 19 GLN HA H 7.547 -6.972 2.339 1.00 . A A . 19 GLN HA 1 1
1 252 1 1 19 GLN HB2 H 5.548 -8.721 1.001 1.00 . A A . 19 GLN HB2 1 1
1 253 1 1 19 GLN HB3 H 6.931 -8.227 0.024 1.00 . A A . 19 GLN HB3 1 1
1 254 1 1 19 GLN HE21 H 7.970 -10.103 -0.700 1.00 . A A . 19 GLN HE21 1 1
1 255 1 1 19 GLN HE22 H 7.534 -11.743 -0.663 1.00 . A A . 19 GLN HE22 1 1
1 256 1 1 19 GLN HG2 H 8.477 -9.094 1.701 1.00 . A A . 19 GLN HG2 1 1
1 257 1 1 19 GLN HG3 H 7.132 -9.496 2.770 1.00 . A A . 19 GLN HG3 1 1
1 258 1 1 19 GLN N N 5.471 -7.071 2.724 1.00 . A A . 19 GLN N 1 1
1 259 1 1 19 GLN NE2 N 7.627 -10.880 -0.210 1.00 . A A . 19 GLN NE2 1 1
1 260 1 1 19 GLN O O 7.355 -5.613 0.007 1.00 . A A . 19 GLN O 1 1
1 261 1 1 19 GLN OE1 O 6.869 -11.725 1.654 1.00 . A A . 19 GLN OE1 1 1
1 262 1 1 20 CYS C C 5.086 -2.700 0.908 1.00 . A A . 20 CYS C 1 1
1 263 1 1 20 CYS CA C 5.214 -3.967 0.062 1.00 . A A . 20 CYS CA 1 1
1 264 1 1 20 CYS CB C 3.902 -4.260 -0.657 1.00 . A A . 20 CYS CB 1 1
1 265 1 1 20 CYS H H 4.761 -5.365 1.617 1.00 . A A . 20 CYS H 1 1
1 266 1 1 20 CYS HA H 6.017 -3.873 -0.652 1.00 . A A . 20 CYS HA 1 1
1 267 1 1 20 CYS HB2 H 3.695 -3.468 -1.351 1.00 . A A . 20 CYS HB2 1 1
1 268 1 1 20 CYS HB3 H 3.982 -5.195 -1.191 1.00 . A A . 20 CYS HB3 1 1
1 269 1 1 20 CYS N N 5.428 -5.139 0.944 1.00 . A A . 20 CYS N 1 1
1 270 1 1 20 CYS O O 4.615 -1.679 0.447 1.00 . A A . 20 CYS O 1 1
1 271 1 1 20 CYS SG S 2.559 -4.367 0.551 1.00 . A A . 20 CYS SG 1 1
1 272 1 1 21 GLN C C 6.473 -0.538 2.664 1.00 . A A . 21 GLN C 1 1
1 273 1 1 21 GLN CA C 5.391 -1.557 3.022 1.00 . A A . 21 GLN CA 1 1
1 274 1 1 21 GLN CB C 5.588 -2.078 4.446 1.00 . A A . 21 GLN CB 1 1
1 275 1 1 21 GLN CD C 3.190 -2.259 5.122 1.00 . A A . 21 GLN CD 1 1
1 276 1 1 21 GLN CG C 4.459 -3.048 4.796 1.00 . A A . 21 GLN CG 1 1
1 277 1 1 21 GLN H H 5.870 -3.593 2.501 1.00 . A A . 21 GLN H 1 1
1 278 1 1 21 GLN HA H 4.418 -1.116 2.921 1.00 . A A . 21 GLN HA 1 1
1 279 1 1 21 GLN HB2 H 6.538 -2.589 4.515 1.00 . A A . 21 GLN HB2 1 1
1 280 1 1 21 GLN HB3 H 5.574 -1.249 5.138 1.00 . A A . 21 GLN HB3 1 1
1 281 1 1 21 GLN HE21 H 1.988 -3.535 4.190 1.00 . A A . 21 GLN HE21 1 1
1 282 1 1 21 GLN HE22 H 1.216 -2.206 4.910 1.00 . A A . 21 GLN HE22 1 1
1 283 1 1 21 GLN HG2 H 4.272 -3.700 3.954 1.00 . A A . 21 GLN HG2 1 1
1 284 1 1 21 GLN HG3 H 4.744 -3.639 5.653 1.00 . A A . 21 GLN HG3 1 1
1 285 1 1 21 GLN N N 5.497 -2.759 2.147 1.00 . A A . 21 GLN N 1 1
1 286 1 1 21 GLN NE2 N 2.036 -2.704 4.706 1.00 . A A . 21 GLN NE2 1 1
1 287 1 1 21 GLN O O 6.580 0.512 3.266 1.00 . A A . 21 GLN O 1 1
1 288 1 1 21 GLN OE1 O 3.248 -1.228 5.763 1.00 . A A . 21 GLN OE1 1 1
1 289 1 1 22 LYS C C 8.252 0.354 -0.244 1.00 . A A . 22 LYS C 1 1
1 290 1 1 22 LYS CA C 8.339 0.107 1.262 1.00 . A A . 22 LYS CA 1 1
1 291 1 1 22 LYS CB C 9.655 -0.590 1.617 1.00 . A A . 22 LYS CB 1 1
1 292 1 1 22 LYS CD C 11.162 -1.181 3.521 1.00 . A A . 22 LYS CD 1 1
1 293 1 1 22 LYS CE C 11.164 -1.808 4.918 1.00 . A A . 22 LYS CE 1 1
1 294 1 1 22 LYS CG C 9.730 -0.809 3.129 1.00 . A A . 22 LYS CG 1 1
1 295 1 1 22 LYS H H 7.151 -1.686 1.209 1.00 . A A . 22 LYS H 1 1
1 296 1 1 22 LYS HA H 8.252 1.034 1.799 1.00 . A A . 22 LYS HA 1 1
1 297 1 1 22 LYS HB2 H 9.703 -1.544 1.112 1.00 . A A . 22 LYS HB2 1 1
1 298 1 1 22 LYS HB3 H 10.484 0.026 1.303 1.00 . A A . 22 LYS HB3 1 1
1 299 1 1 22 LYS HD2 H 11.558 -1.890 2.807 1.00 . A A . 22 LYS HD2 1 1
1 300 1 1 22 LYS HD3 H 11.777 -0.294 3.526 1.00 . A A . 22 LYS HD3 1 1
1 301 1 1 22 LYS HE2 H 10.525 -1.242 5.582 1.00 . A A . 22 LYS HE2 1 1
1 302 1 1 22 LYS HE3 H 10.841 -2.836 4.869 1.00 . A A . 22 LYS HE3 1 1
1 303 1 1 22 LYS HG2 H 9.441 0.099 3.639 1.00 . A A . 22 LYS HG2 1 1
1 304 1 1 22 LYS HG3 H 9.063 -1.609 3.411 1.00 . A A . 22 LYS HG3 1 1
1 305 1 1 22 LYS HZ1 H 13.021 -0.871 5.002 1.00 . A A . 22 LYS HZ1 1 1
1 306 1 1 22 LYS HZ2 H 12.612 -1.728 6.411 1.00 . A A . 22 LYS HZ2 1 1
1 307 1 1 22 LYS HZ3 H 13.099 -2.568 5.020 1.00 . A A . 22 LYS HZ3 1 1
1 308 1 1 22 LYS N N 7.267 -0.839 1.681 1.00 . A A . 22 LYS N 1 1
1 309 1 1 22 LYS NZ N 12.581 -1.738 5.372 1.00 . A A . 22 LYS NZ 1 1
1 310 1 1 22 LYS O O 9.093 1.007 -0.830 1.00 . A A . 22 LYS O 1 1
1 311 1 1 23 SER C C 5.633 -0.229 -2.760 1.00 . A A . 23 SER C 1 1
1 312 1 1 23 SER CA C 7.083 0.029 -2.340 1.00 . A A . 23 SER CA 1 1
1 313 1 1 23 SER CB C 8.014 -1.001 -2.976 1.00 . A A . 23 SER CB 1 1
1 314 1 1 23 SER H H 6.574 -0.687 -0.376 1.00 . A A . 23 SER H 1 1
1 315 1 1 23 SER HA H 7.387 1.022 -2.622 1.00 . A A . 23 SER HA 1 1
1 316 1 1 23 SER HB2 H 7.705 -1.993 -2.692 1.00 . A A . 23 SER HB2 1 1
1 317 1 1 23 SER HB3 H 7.969 -0.908 -4.054 1.00 . A A . 23 SER HB3 1 1
1 318 1 1 23 SER HG H 9.882 -0.554 -3.284 1.00 . A A . 23 SER HG 1 1
1 319 1 1 23 SER N N 7.237 -0.167 -0.872 1.00 . A A . 23 SER N 1 1
1 320 1 1 23 SER O O 5.374 -0.839 -3.778 1.00 . A A . 23 SER O 1 1
1 321 1 1 23 SER OG O 9.342 -0.777 -2.523 1.00 . A A . 23 SER OG 1 1
1 322 1 1 24 CYS C C 2.869 1.000 -3.398 1.00 . A A . 24 CYS C 1 1
1 323 1 1 24 CYS CA C 3.267 -0.026 -2.332 1.00 . A A . 24 CYS CA 1 1
1 324 1 1 24 CYS CB C 2.546 0.178 -0.993 1.00 . A A . 24 CYS CB 1 1
1 325 1 1 24 CYS H H 4.896 0.687 -1.154 1.00 . A A . 24 CYS H 1 1
1 326 1 1 24 CYS HA H 3.124 -1.032 -2.692 1.00 . A A . 24 CYS HA 1 1
1 327 1 1 24 CYS HB2 H 1.807 -0.552 -0.859 1.00 . A A . 24 CYS HB2 1 1
1 328 1 1 24 CYS HB3 H 3.278 0.060 -0.217 1.00 . A A . 24 CYS HB3 1 1
1 329 1 1 24 CYS N N 4.682 0.214 -1.980 1.00 . A A . 24 CYS N 1 1
1 330 1 1 24 CYS O O 3.096 2.178 -3.242 1.00 . A A . 24 CYS O 1 1
1 331 1 1 24 CYS SG S 1.799 1.817 -0.834 1.00 . A A . 24 CYS SG 1 1
1 332 1 1 25 SER C C 0.591 2.153 -5.355 1.00 . A A . 25 SER C 1 1
1 333 1 1 25 SER CA C 1.966 1.520 -5.581 1.00 . A A . 25 SER CA 1 1
1 334 1 1 25 SER CB C 1.958 0.676 -6.855 1.00 . A A . 25 SER CB 1 1
1 335 1 1 25 SER H H 2.178 -0.398 -4.609 1.00 . A A . 25 SER H 1 1
1 336 1 1 25 SER HA H 2.721 2.289 -5.660 1.00 . A A . 25 SER HA 1 1
1 337 1 1 25 SER HB2 H 1.522 -0.287 -6.648 1.00 . A A . 25 SER HB2 1 1
1 338 1 1 25 SER HB3 H 1.372 1.179 -7.613 1.00 . A A . 25 SER HB3 1 1
1 339 1 1 25 SER HG H 3.495 -0.440 -7.272 1.00 . A A . 25 SER HG 1 1
1 340 1 1 25 SER N N 2.324 0.561 -4.491 1.00 . A A . 25 SER N 1 1
1 341 1 1 25 SER O O -0.296 2.035 -6.178 1.00 . A A . 25 SER O 1 1
1 342 1 1 25 SER OG O 3.293 0.498 -7.308 1.00 . A A . 25 SER OG 1 1
1 343 1 1 26 CYS C C -0.742 4.985 -3.824 1.00 . A A . 26 CYS C 1 1
1 344 1 1 26 CYS CA C -0.909 3.473 -3.999 1.00 . A A . 26 CYS CA 1 1
1 345 1 1 26 CYS CB C -1.389 2.839 -2.705 1.00 . A A . 26 CYS CB 1 1
1 346 1 1 26 CYS H H 1.126 2.916 -3.605 1.00 . A A . 26 CYS H 1 1
1 347 1 1 26 CYS HA H -1.602 3.256 -4.796 1.00 . A A . 26 CYS HA 1 1
1 348 1 1 26 CYS HB2 H -0.716 3.103 -1.902 1.00 . A A . 26 CYS HB2 1 1
1 349 1 1 26 CYS HB3 H -2.374 3.195 -2.479 1.00 . A A . 26 CYS HB3 1 1
1 350 1 1 26 CYS N N 0.405 2.830 -4.258 1.00 . A A . 26 CYS N 1 1
1 351 1 1 26 CYS O O 0.285 5.450 -3.369 1.00 . A A . 26 CYS O 1 1
1 352 1 1 26 CYS SG S -1.421 1.044 -2.901 1.00 . A A . 26 CYS SG 1 1
1 353 1 1 27 PRO C C -2.116 7.582 -2.640 1.00 . A A . 27 PRO C 1 1
1 354 1 1 27 PRO CA C -1.756 7.175 -4.070 1.00 . A A . 27 PRO CA 1 1
1 355 1 1 27 PRO CB C -2.839 7.619 -5.047 1.00 . A A . 27 PRO CB 1 1
1 356 1 1 27 PRO CD C -3.032 5.207 -4.744 1.00 . A A . 27 PRO CD 1 1
1 357 1 1 27 PRO CG C -3.775 6.454 -5.167 1.00 . A A . 27 PRO CG 1 1
1 358 1 1 27 PRO HA H -0.800 7.580 -4.359 1.00 . A A . 27 PRO HA 1 1
1 359 1 1 27 PRO HB2 H -3.360 8.483 -4.658 1.00 . A A . 27 PRO HB2 1 1
1 360 1 1 27 PRO HB3 H -2.405 7.844 -6.009 1.00 . A A . 27 PRO HB3 1 1
1 361 1 1 27 PRO HD2 H -3.595 4.673 -3.990 1.00 . A A . 27 PRO HD2 1 1
1 362 1 1 27 PRO HD3 H -2.841 4.573 -5.595 1.00 . A A . 27 PRO HD3 1 1
1 363 1 1 27 PRO HG2 H -4.632 6.607 -4.526 1.00 . A A . 27 PRO HG2 1 1
1 364 1 1 27 PRO HG3 H -4.100 6.350 -6.192 1.00 . A A . 27 PRO HG3 1 1
1 365 1 1 27 PRO N N -1.770 5.702 -4.189 1.00 . A A . 27 PRO N 1 1
1 366 1 1 27 PRO O O -2.210 6.752 -1.758 1.00 . A A . 27 PRO O 1 1
1 367 1 1 28 THR C C -4.199 9.258 -0.845 1.00 . A A . 28 THR C 1 1
1 368 1 1 28 THR CA C -2.687 9.278 -1.018 1.00 . A A . 28 THR CA 1 1
1 369 1 1 28 THR CB C -2.129 10.694 -0.865 1.00 . A A . 28 THR CB 1 1
1 370 1 1 28 THR CG2 C -2.689 11.588 -1.973 1.00 . A A . 28 THR CG2 1 1
1 371 1 1 28 THR H H -2.252 9.505 -3.120 1.00 . A A . 28 THR H 1 1
1 372 1 1 28 THR HA H -2.238 8.614 -0.297 1.00 . A A . 28 THR HA 1 1
1 373 1 1 28 THR HB H -1.053 10.668 -0.939 1.00 . A A . 28 THR HB 1 1
1 374 1 1 28 THR HG1 H -1.735 11.637 0.791 1.00 . A A . 28 THR HG1 1 1
1 375 1 1 28 THR HG21 H -3.358 11.014 -2.596 1.00 . A A . 28 THR HG21 1 1
1 376 1 1 28 THR HG22 H -3.227 12.414 -1.532 1.00 . A A . 28 THR HG22 1 1
1 377 1 1 28 THR HG23 H -1.876 11.968 -2.574 1.00 . A A . 28 THR HG23 1 1
1 378 1 1 28 THR N N -2.326 8.846 -2.399 1.00 . A A . 28 THR N 1 1
1 379 1 1 28 THR O O -4.795 10.148 -0.273 1.00 . A A . 28 THR O 1 1
1 380 1 1 28 THR OG1 O -2.505 11.215 0.402 1.00 . A A . 28 THR OG1 1 1
1 381 1 1 29 GLY C C -6.541 6.600 -0.835 1.00 . A A . 29 GLY C 1 1
1 382 1 1 29 GLY CA C -6.273 8.060 -1.185 1.00 . A A . 29 GLY CA 1 1
1 383 1 1 29 GLY H H -4.279 7.513 -1.750 1.00 . A A . 29 GLY H 1 1
1 384 1 1 29 GLY HA2 H -6.641 8.704 -0.398 1.00 . A A . 29 GLY HA2 1 1
1 385 1 1 29 GLY HA3 H -6.757 8.302 -2.118 1.00 . A A . 29 GLY HA3 1 1
1 386 1 1 29 GLY N N -4.805 8.218 -1.319 1.00 . A A . 29 GLY N 1 1
1 387 1 1 29 GLY O O -7.641 6.102 -0.975 1.00 . A A . 29 GLY O 1 1
1 388 1 1 30 CYS C C -6.158 4.321 1.409 1.00 . A A . 30 CYS C 1 1
1 389 1 1 30 CYS CA C -5.690 4.469 -0.036 1.00 . A A . 30 CYS CA 1 1
1 390 1 1 30 CYS CB C -4.304 3.871 -0.219 1.00 . A A . 30 CYS CB 1 1
1 391 1 1 30 CYS H H -4.638 6.340 -0.293 1.00 . A A . 30 CYS H 1 1
1 392 1 1 30 CYS HA H -6.387 3.995 -0.709 1.00 . A A . 30 CYS HA 1 1
1 393 1 1 30 CYS HB2 H -3.831 4.342 -1.061 1.00 . A A . 30 CYS HB2 1 1
1 394 1 1 30 CYS HB3 H -3.715 4.044 0.669 1.00 . A A . 30 CYS HB3 1 1
1 395 1 1 30 CYS N N -5.524 5.909 -0.389 1.00 . A A . 30 CYS N 1 1
1 396 1 1 30 CYS O O -5.532 3.662 2.216 1.00 . A A . 30 CYS O 1 1
1 397 1 1 30 CYS SG S -4.444 2.092 -0.517 1.00 . A A . 30 CYS SG 1 1
1 398 1 1 31 ASN C C -8.903 3.782 3.195 1.00 . A A . 31 ASN C 1 1
1 399 1 1 31 ASN CA C -7.785 4.828 3.126 1.00 . A A . 31 ASN CA 1 1
1 400 1 1 31 ASN CB C -8.330 6.220 3.446 1.00 . A A . 31 ASN CB 1 1
1 401 1 1 31 ASN CG C -7.721 6.717 4.758 1.00 . A A . 31 ASN CG 1 1
1 402 1 1 31 ASN H H -7.738 5.448 1.060 1.00 . A A . 31 ASN H 1 1
1 403 1 1 31 ASN HA H -6.992 4.576 3.812 1.00 . A A . 31 ASN HA 1 1
1 404 1 1 31 ASN HB2 H -8.071 6.899 2.647 1.00 . A A . 31 ASN HB2 1 1
1 405 1 1 31 ASN HB3 H -9.404 6.172 3.546 1.00 . A A . 31 ASN HB3 1 1
1 406 1 1 31 ASN HD21 H -6.957 8.360 3.947 1.00 . A A . 31 ASN HD21 1 1
1 407 1 1 31 ASN HD22 H -6.666 8.169 5.608 1.00 . A A . 31 ASN HD22 1 1
1 408 1 1 31 ASN N N -7.258 4.927 1.735 1.00 . A A . 31 ASN N 1 1
1 409 1 1 31 ASN ND2 N -7.060 7.842 4.772 1.00 . A A . 31 ASN ND2 1 1
1 410 1 1 31 ASN O O -9.396 3.456 4.257 1.00 . A A . 31 ASN O 1 1
1 411 1 1 31 ASN OD1 O -7.847 6.074 5.782 1.00 . A A . 31 ASN OD1 1 1
1 412 1 1 32 SER C C -9.797 0.834 1.861 1.00 . A A . 32 SER C 1 1
1 413 1 1 32 SER CA C -10.390 2.230 2.071 1.00 . A A . 32 SER CA 1 1
1 414 1 1 32 SER CB C -11.292 2.609 0.898 1.00 . A A . 32 SER CB 1 1
1 415 1 1 32 SER H H -8.893 3.532 1.226 1.00 . A A . 32 SER H 1 1
1 416 1 1 32 SER HA H -10.947 2.270 2.994 1.00 . A A . 32 SER HA 1 1
1 417 1 1 32 SER HB2 H -10.712 2.647 -0.008 1.00 . A A . 32 SER HB2 1 1
1 418 1 1 32 SER HB3 H -12.074 1.868 0.792 1.00 . A A . 32 SER HB3 1 1
1 419 1 1 32 SER HG H -12.819 3.786 1.162 1.00 . A A . 32 SER HG 1 1
1 420 1 1 32 SER N N -9.305 3.255 2.071 1.00 . A A . 32 SER N 1 1
1 421 1 1 32 SER O O -8.698 0.686 1.364 1.00 . A A . 32 SER O 1 1
1 422 1 1 32 SER OG O -11.865 3.888 1.140 1.00 . A A . 32 SER OG 1 1
1 423 1 1 33 ASP C C -10.473 -2.160 0.731 1.00 . A A . 33 ASP C 1 1
1 424 1 1 33 ASP CA C -9.986 -1.574 2.057 1.00 . A A . 33 ASP CA 1 1
1 425 1 1 33 ASP CB C -10.543 -2.371 3.237 1.00 . A A . 33 ASP CB 1 1
1 426 1 1 33 ASP CG C -9.774 -2.007 4.509 1.00 . A A . 33 ASP CG 1 1
1 427 1 1 33 ASP H H -11.398 -0.050 2.636 1.00 . A A . 33 ASP H 1 1
1 428 1 1 33 ASP HA H -8.909 -1.570 2.088 1.00 . A A . 33 ASP HA 1 1
1 429 1 1 33 ASP HB2 H -11.589 -2.135 3.368 1.00 . A A . 33 ASP HB2 1 1
1 430 1 1 33 ASP HB3 H -10.433 -3.427 3.042 1.00 . A A . 33 ASP HB3 1 1
1 431 1 1 33 ASP N N -10.514 -0.190 2.236 1.00 . A A . 33 ASP N 1 1
1 432 1 1 33 ASP O O -10.247 -3.315 0.431 1.00 . A A . 33 ASP O 1 1
1 433 1 1 33 ASP OD1 O -8.948 -1.112 4.442 1.00 . A A . 33 ASP OD1 1 1
1 434 1 1 33 ASP OD2 O -10.026 -2.629 5.527 1.00 . A A . 33 ASP OD2 1 1
1 435 1 1 34 ASP C C -11.288 -0.865 -2.473 1.00 . A A . 34 ASP C 1 1
1 436 1 1 34 ASP CA C -11.615 -1.875 -1.384 1.00 . A A . 34 ASP CA 1 1
1 437 1 1 34 ASP CB C -13.124 -2.057 -1.227 1.00 . A A . 34 ASP CB 1 1
1 438 1 1 34 ASP CG C -13.482 -3.531 -1.426 1.00 . A A . 34 ASP CG 1 1
1 439 1 1 34 ASP H H -11.286 -0.438 0.191 1.00 . A A . 34 ASP H 1 1
1 440 1 1 34 ASP HA H -11.142 -2.813 -1.611 1.00 . A A . 34 ASP HA 1 1
1 441 1 1 34 ASP HB2 H -13.424 -1.742 -0.238 1.00 . A A . 34 ASP HB2 1 1
1 442 1 1 34 ASP HB3 H -13.638 -1.461 -1.967 1.00 . A A . 34 ASP HB3 1 1
1 443 1 1 34 ASP N N -11.127 -1.368 -0.068 1.00 . A A . 34 ASP N 1 1
1 444 1 1 34 ASP O O -12.051 -0.626 -3.388 1.00 . A A . 34 ASP O 1 1
1 445 1 1 34 ASP OD1 O -12.689 -4.237 -2.025 1.00 . A A . 34 ASP OD1 1 1
1 446 1 1 34 ASP OD2 O -14.544 -3.928 -0.975 1.00 . A A . 34 ASP OD2 1 1
1 447 1 1 35 LYS C C -8.153 0.769 -3.255 1.00 . A A . 35 LYS C 1 1
1 448 1 1 35 LYS CA C -9.661 0.685 -3.378 1.00 . A A . 35 LYS CA 1 1
1 449 1 1 35 LYS CB C -10.328 2.011 -3.009 1.00 . A A . 35 LYS CB 1 1
1 450 1 1 35 LYS CD C -11.535 4.004 -3.912 1.00 . A A . 35 LYS CD 1 1
1 451 1 1 35 LYS CE C -12.244 4.588 -5.137 1.00 . A A . 35 LYS CE 1 1
1 452 1 1 35 LYS CG C -10.997 2.611 -4.247 1.00 . A A . 35 LYS CG 1 1
1 453 1 1 35 LYS H H -9.547 -0.548 -1.627 1.00 . A A . 35 LYS H 1 1
1 454 1 1 35 LYS HA H -9.938 0.372 -4.366 1.00 . A A . 35 LYS HA 1 1
1 455 1 1 35 LYS HB2 H -11.072 1.839 -2.245 1.00 . A A . 35 LYS HB2 1 1
1 456 1 1 35 LYS HB3 H -9.583 2.698 -2.637 1.00 . A A . 35 LYS HB3 1 1
1 457 1 1 35 LYS HD2 H -12.234 3.932 -3.091 1.00 . A A . 35 LYS HD2 1 1
1 458 1 1 35 LYS HD3 H -10.716 4.649 -3.632 1.00 . A A . 35 LYS HD3 1 1
1 459 1 1 35 LYS HE2 H -11.686 5.428 -5.528 1.00 . A A . 35 LYS HE2 1 1
1 460 1 1 35 LYS HE3 H -12.370 3.831 -5.895 1.00 . A A . 35 LYS HE3 1 1
1 461 1 1 35 LYS HG2 H -10.274 2.686 -5.046 1.00 . A A . 35 LYS HG2 1 1
1 462 1 1 35 LYS HG3 H -11.814 1.977 -4.558 1.00 . A A . 35 LYS HG3 1 1
1 463 1 1 35 LYS HZ1 H -13.451 5.556 -3.744 1.00 . A A . 35 LYS HZ1 1 1
1 464 1 1 35 LYS HZ2 H -14.022 5.651 -5.341 1.00 . A A . 35 LYS HZ2 1 1
1 465 1 1 35 LYS HZ3 H -14.179 4.204 -4.471 1.00 . A A . 35 LYS HZ3 1 1
1 466 1 1 35 LYS N N -10.132 -0.301 -2.373 1.00 . A A . 35 LYS N 1 1
1 467 1 1 35 LYS NZ N -13.574 5.033 -4.636 1.00 . A A . 35 LYS NZ 1 1
1 468 1 1 35 LYS O O -7.542 1.810 -3.389 1.00 . A A . 35 LYS O 1 1
1 469 1 1 36 CYS C C -5.424 -1.150 -3.941 1.00 . A A . 36 CYS C 1 1
1 470 1 1 36 CYS CA C -6.099 -0.420 -2.775 1.00 . A A . 36 CYS CA 1 1
1 471 1 1 36 CYS CB C -5.954 -1.215 -1.481 1.00 . A A . 36 CYS CB 1 1
1 472 1 1 36 CYS H H -8.121 -1.153 -2.843 1.00 . A A . 36 CYS H 1 1
1 473 1 1 36 CYS HA H -5.683 0.566 -2.649 1.00 . A A . 36 CYS HA 1 1
1 474 1 1 36 CYS HB2 H -6.470 -0.698 -0.689 1.00 . A A . 36 CYS HB2 1 1
1 475 1 1 36 CYS HB3 H -6.394 -2.193 -1.611 1.00 . A A . 36 CYS HB3 1 1
1 476 1 1 36 CYS N N -7.571 -0.348 -2.964 1.00 . A A . 36 CYS N 1 1
1 477 1 1 36 CYS O O -5.378 -2.363 -3.969 1.00 . A A . 36 CYS O 1 1
1 478 1 1 36 CYS SG S -4.207 -1.395 -1.051 1.00 . A A . 36 CYS SG 1 1
1 479 1 1 37 PRO C C -2.751 -1.257 -5.660 1.00 . A A . 37 PRO C 1 1
1 480 1 1 37 PRO CA C -4.205 -0.944 -6.033 1.00 . A A . 37 PRO CA 1 1
1 481 1 1 37 PRO CB C -4.266 0.181 -7.060 1.00 . A A . 37 PRO CB 1 1
1 482 1 1 37 PRO CD C -4.940 1.088 -4.897 1.00 . A A . 37 PRO CD 1 1
1 483 1 1 37 PRO CG C -4.402 1.446 -6.265 1.00 . A A . 37 PRO CG 1 1
1 484 1 1 37 PRO HA H -4.711 -1.820 -6.403 1.00 . A A . 37 PRO HA 1 1
1 485 1 1 37 PRO HB2 H -3.357 0.200 -7.647 1.00 . A A . 37 PRO HB2 1 1
1 486 1 1 37 PRO HB3 H -5.124 0.056 -7.702 1.00 . A A . 37 PRO HB3 1 1
1 487 1 1 37 PRO HD2 H -4.306 1.501 -4.124 1.00 . A A . 37 PRO HD2 1 1
1 488 1 1 37 PRO HD3 H -5.953 1.440 -4.786 1.00 . A A . 37 PRO HD3 1 1
1 489 1 1 37 PRO HG2 H -3.435 1.920 -6.167 1.00 . A A . 37 PRO HG2 1 1
1 490 1 1 37 PRO HG3 H -5.089 2.116 -6.758 1.00 . A A . 37 PRO HG3 1 1
1 491 1 1 37 PRO N N -4.908 -0.376 -4.861 1.00 . A A . 37 PRO N 1 1
1 492 1 1 37 PRO O O -1.824 -0.863 -6.340 1.00 . A A . 37 PRO O 1 1
1 493 1 1 38 CYS C C -0.633 -3.487 -4.890 1.00 . A A . 38 CYS C 1 1
1 494 1 1 38 CYS CA C -1.170 -2.280 -4.126 1.00 . A A . 38 CYS CA 1 1
1 495 1 1 38 CYS CB C -1.340 -2.622 -2.651 1.00 . A A . 38 CYS CB 1 1
1 496 1 1 38 CYS H H -3.312 -2.244 -4.034 1.00 . A A . 38 CYS H 1 1
1 497 1 1 38 CYS HA H -0.511 -1.436 -4.236 1.00 . A A . 38 CYS HA 1 1
1 498 1 1 38 CYS HB2 H -2.179 -2.081 -2.261 1.00 . A A . 38 CYS HB2 1 1
1 499 1 1 38 CYS HB3 H -1.520 -3.680 -2.548 1.00 . A A . 38 CYS HB3 1 1
1 500 1 1 38 CYS N N -2.550 -1.949 -4.572 1.00 . A A . 38 CYS N 1 1
1 501 1 1 38 CYS O O -1.145 -3.867 -5.924 1.00 . A A . 38 CYS O 1 1
1 502 1 1 38 CYS SG S 0.142 -2.165 -1.721 1.00 . A A . 38 CYS SG 1 1
1 503 1 1 39 GLY C C -0.055 -6.400 -5.106 1.00 . A A . 39 GLY C 1 1
1 504 1 1 39 GLY CA C 0.985 -5.279 -5.052 1.00 . A A . 39 GLY CA 1 1
1 505 1 1 39 GLY H H 0.782 -3.757 -3.540 1.00 . A A . 39 GLY H 1 1
1 506 1 1 39 GLY HA2 H 1.283 -5.012 -6.056 1.00 . A A . 39 GLY HA2 1 1
1 507 1 1 39 GLY HA3 H 1.847 -5.619 -4.498 1.00 . A A . 39 GLY HA3 1 1
1 508 1 1 39 GLY N N 0.397 -4.090 -4.376 1.00 . A A . 39 GLY N 1 1
1 509 1 1 39 GLY O O -0.014 -7.257 -5.966 1.00 . A A . 39 GLY O 1 1
1 510 1 1 40 ASN C C -3.325 -6.940 -3.562 1.00 . A A . 40 ASN C 1 1
1 511 1 1 40 ASN CA C -2.033 -7.465 -4.194 1.00 . A A . 40 ASN CA 1 1
1 512 1 1 40 ASN CB C -1.445 -8.596 -3.350 1.00 . A A . 40 ASN CB 1 1
1 513 1 1 40 ASN CG C -2.118 -9.918 -3.727 1.00 . A A . 40 ASN CG 1 1
1 514 1 1 40 ASN H H -1.005 -5.699 -3.509 1.00 . A A . 40 ASN H 1 1
1 515 1 1 40 ASN HA H -2.217 -7.812 -5.198 1.00 . A A . 40 ASN HA 1 1
1 516 1 1 40 ASN HB2 H -0.382 -8.667 -3.533 1.00 . A A . 40 ASN HB2 1 1
1 517 1 1 40 ASN HB3 H -1.618 -8.392 -2.304 1.00 . A A . 40 ASN HB3 1 1
1 518 1 1 40 ASN HD21 H -1.300 -9.982 -5.535 1.00 . A A . 40 ASN HD21 1 1
1 519 1 1 40 ASN HD22 H -2.320 -11.284 -5.153 1.00 . A A . 40 ASN HD22 1 1
1 520 1 1 40 ASN N N -0.989 -6.399 -4.194 1.00 . A A . 40 ASN N 1 1
1 521 1 1 40 ASN ND2 N -1.894 -10.438 -4.903 1.00 . A A . 40 ASN ND2 1 1
1 522 1 1 40 ASN O O -4.335 -6.932 -4.246 1.00 . A A . 40 ASN O 1 1
1 523 1 1 40 ASN OXT O -3.281 -6.556 -2.405 1.00 . A A . 40 ASN OXT 1 1
1 524 1 1 40 ASN OD1 O -2.855 -10.482 -2.943 1.00 . A A . 40 ASN OD1 1 1
1 525 2 2 1 CU1 CU CU 0.646 0.789 1.105 1.00 . B A . 41 CU1 CU 1 1
1 526 3 2 1 CU1 CU CU -3.671 -1.410 1.135 1.00 . C A . 42 CU1 CU 1 1
1 527 4 2 1 CU1 CU CU 1.830 -2.293 1.047 1.00 . D A . 43 CU1 CU 1 1
1 528 5 2 1 CU1 CU CU 0.184 0.143 -1.616 1.00 . E A . 44 CU1 CU 1 1
1 529 6 2 1 CU1 CU CU -4.519 1.003 1.450 1.00 . F A . 45 CU1 CU 1 1
1 530 7 2 1 CU1 CU CU -3.100 0.513 -1.488 1.00 . G A . 46 CU1 CU 1 1
1 531 8 2 1 CU1 CU CU -0.480 -1.340 0.279 1.00 . H A . 47 CU1 CU 1 1
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