NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | item_count |
|
|
390221 |
1odp   |
cing | recoord | 4-filtered-FRED | STAR | entry | full | 213 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1odp
# This FRED archive file contains, for PDB entry <1odp>:
#
# - 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_1odp
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1odp
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2332.57
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 $APOA_I_PEPTIDE A . 1 1
stop_
save_
save_APOA_I_PEPTIDE
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "APOA I PEPTIDE"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code YSDELRQRLAARLEALKENG
_Entity.Number_of_monomers 20
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 TYR . 1 1
2 SER . 1 1
3 ASP . 1 1
4 GLU . 1 1
5 LEU . 1 1
6 ARG . 1 1
7 GLN . 1 1
8 ARG . 1 1
9 LEU . 1 1
10 ALA . 1 1
11 ALA . 1 1
12 ARG . 1 1
13 LEU . 1 1
14 GLU . 1 1
15 ALA . 1 1
16 LEU . 1 1
17 LYS . 1 1
18 GLU . 1 1
19 ASN . 1 1
20 GLY . 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
TYR 1 1 1 1
SER 2 2 1 1
ASP 3 3 1 1
GLU 4 4 1 1
LEU 5 5 1 1
ARG 6 6 1 1
GLN 7 7 1 1
ARG 8 8 1 1
LEU 9 9 1 1
ALA 10 10 1 1
ALA 11 11 1 1
ARG 12 12 1 1
LEU 13 13 1 1
GLU 14 14 1 1
ALA 15 15 1 1
LEU 16 16 1 1
LYS 17 17 1 1
GLU 18 18 1 1
ASN 19 19 1 1
GLY 20 20 1 1
stop_
save_
save_Discover_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
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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
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60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
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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
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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
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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
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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
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140 1 . . . 1 1
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142 1 . . . 1 1
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144 1 . . . 1 1
145 1 . . . 1 1
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148 1 . . . 1 1
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150 1 . . . 1 1
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157 1 . . . 1 1
158 1 . . . 1 1
159 1 . . . 1 1
160 1 . . . 1 1
161 1 . . . 1 1
162 1 . . . 1 1
163 1 . . . 1 1
164 1 . . . 1 1
165 1 . . . 1 1
166 1 . . . 1 1
167 1 . . . 1 1
168 1 . . . 1 1
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170 1 . . . 1 1
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172 1 . . . 1 1
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174 1 . . . 1 1
175 1 . . . 1 1
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204 1 . . . 1 1
205 1 . . . 1 1
206 1 . . . 1 1
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209 1 . . . 1 1
210 1 . . . 1 1
211 1 . . . 1 1
212 1 . . . 1 1
213 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 TYR HA 1 1 TYRN HA 1 1
1 1 2 1 1 1 TYR HB2 1 1 TYRN HB2 1 1
2 1 1 1 1 1 TYR HA 1 1 TYRN HA 1 1
2 1 2 1 1 1 TYR QD 1 1 TYRN HD* 1 1
3 1 1 1 1 1 TYR QD 1 1 TYRN HD* 1 1
3 1 2 1 1 2 SER HA 1 2 SER HA 1 1
4 1 1 1 1 1 TYR QD 1 1 TYRN HD* 1 1
4 1 2 1 1 3 ASP HA 1 3 ASP- HA 1 1
5 1 1 1 1 1 TYR QD 1 1 TYRN HD* 1 1
5 1 2 1 1 5 LEU QB 1 5 LEU HB* 1 1
6 1 1 1 1 1 TYR QD 1 1 TYRN HD* 1 1
6 1 2 1 1 5 LEU MD1 1 5 LEU HD1* 1 1
7 1 1 1 1 1 TYR QD 1 1 TYRN HD* 1 1
7 1 2 1 1 5 LEU MD2 1 5 LEU HD2* 1 1
8 1 1 1 1 1 TYR QE 1 1 TYRN HE* 1 1
8 1 2 1 1 3 ASP HA 1 3 ASP- HA 1 1
9 1 1 1 1 1 TYR QE 1 1 TYRN HE* 1 1
9 1 2 1 1 3 ASP QB 1 3 ASP- HB* 1 1
10 1 1 1 1 2 SER HA 1 2 SER HA 1 1
10 1 2 1 1 2 SER HB2 1 2 SER HB2 1 1
11 1 1 1 1 2 SER HA 1 2 SER HA 1 1
11 1 2 1 1 2 SER HB3 1 2 SER HB1 1 1
12 1 1 1 1 2 SER HA 1 2 SER HA 1 1
12 1 2 1 1 3 ASP H 1 3 ASP- HN 1 1
13 1 1 1 1 2 SER HA 1 2 SER HA 1 1
13 1 2 1 1 4 GLU H 1 4 GLU- HN 1 1
14 1 1 1 1 2 SER HA 1 2 SER HA 1 1
14 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
15 1 1 1 1 2 SER HB2 1 2 SER HB2 1 1
15 1 2 1 1 3 ASP H 1 3 ASP- HN 1 1
16 1 1 1 1 2 SER HB2 1 2 SER HB2 1 1
16 1 2 1 1 4 GLU H 1 4 GLU- HN 1 1
17 1 1 1 1 2 SER HB2 1 2 SER HB2 1 1
17 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
18 1 1 1 1 2 SER HB3 1 2 SER HB1 1 1
18 1 2 1 1 3 ASP H 1 3 ASP- HN 1 1
19 1 1 1 1 3 ASP H 1 3 ASP- HN 1 1
19 1 2 1 1 3 ASP HA 1 3 ASP- HA 1 1
20 1 1 1 1 3 ASP H 1 3 ASP- HN 1 1
20 1 2 1 1 3 ASP QB 1 3 ASP- HB* 1 1
21 1 1 1 1 3 ASP H 1 3 ASP- HN 1 1
21 1 2 1 1 4 GLU H 1 4 GLU- HN 1 1
22 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
22 1 2 1 1 3 ASP QB 1 3 ASP- HB* 1 1
23 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
23 1 2 1 1 4 GLU H 1 4 GLU- HN 1 1
24 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
24 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
25 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
25 1 2 1 1 6 ARG HB2 1 6 ARG+ HB2 1 1
26 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
26 1 2 1 1 6 ARG HB3 1 6 ARG+ HB1 1 1
27 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
27 1 2 1 1 7 GLN H 1 7 GLN HN 1 1
28 1 1 1 1 3 ASP QB 1 3 ASP- HB* 1 1
28 1 2 1 1 4 GLU H 1 4 GLU- HN 1 1
29 1 1 1 1 4 GLU H 1 4 GLU- HN 1 1
29 1 2 1 1 4 GLU HA 1 4 GLU- HA 1 1
30 1 1 1 1 4 GLU H 1 4 GLU- HN 1 1
30 1 2 1 1 4 GLU QB 1 4 GLU- HB* 1 1
31 1 1 1 1 4 GLU H 1 4 GLU- HN 1 1
31 1 2 1 1 4 GLU HG2 1 4 GLU- HG2 1 1
32 1 1 1 1 4 GLU H 1 4 GLU- HN 1 1
32 1 2 1 1 4 GLU HG3 1 4 GLU- HG1 1 1
33 1 1 1 1 4 GLU H 1 4 GLU- HN 1 1
33 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
34 1 1 1 1 4 GLU H 1 4 GLU- HN 1 1
34 1 2 1 1 6 ARG H 1 6 ARG+ HN 1 1
35 1 1 1 1 4 GLU HA 1 4 GLU- HA 1 1
35 1 2 1 1 4 GLU QB 1 4 GLU- HB* 1 1
36 1 1 1 1 4 GLU HA 1 4 GLU- HA 1 1
36 1 2 1 1 4 GLU HG2 1 4 GLU- HG2 1 1
37 1 1 1 1 4 GLU HA 1 4 GLU- HA 1 1
37 1 2 1 1 4 GLU HG3 1 4 GLU- HG1 1 1
38 1 1 1 1 4 GLU HA 1 4 GLU- HA 1 1
38 1 2 1 1 7 GLN QB 1 7 GLN HB* 1 1
39 1 1 1 1 4 GLU QB 1 4 GLU- HB* 1 1
39 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
40 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
40 1 2 1 1 5 LEU HA 1 5 LEU HA 1 1
41 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
41 1 2 1 1 5 LEU QB 1 5 LEU HB* 1 1
42 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
42 1 2 1 1 5 LEU MD1 1 5 LEU HD1* 1 1
43 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
43 1 2 1 1 5 LEU MD2 1 5 LEU HD2* 1 1
44 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
44 1 2 1 1 5 LEU HG 1 5 LEU HG 1 1
45 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
45 1 2 1 1 6 ARG H 1 6 ARG+ HN 1 1
46 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
46 1 2 1 1 5 LEU QB 1 5 LEU HB* 1 1
47 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
47 1 2 1 1 5 LEU MD1 1 5 LEU HD1* 1 1
48 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
48 1 2 1 1 5 LEU HG 1 5 LEU HG 1 1
49 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
49 1 2 1 1 6 ARG H 1 6 ARG+ HN 1 1
50 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
50 1 2 1 1 8 ARG H 1 8 ARG+ HN 1 1
51 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
51 1 2 1 1 8 ARG QD 1 8 ARG+ HD* 1 1
52 1 1 1 1 5 LEU QB 1 5 LEU HB* 1 1
52 1 2 1 1 6 ARG H 1 6 ARG+ HN 1 1
53 1 1 1 1 5 LEU MD1 1 5 LEU HD1* 1 1
53 1 2 1 1 6 ARG H 1 6 ARG+ HN 1 1
54 1 1 1 1 5 LEU MD2 1 5 LEU HD2* 1 1
54 1 2 1 1 6 ARG H 1 6 ARG+ HN 1 1
55 1 1 1 1 6 ARG H 1 6 ARG+ HN 1 1
55 1 2 1 1 6 ARG HA 1 6 ARG+ HA 1 1
56 1 1 1 1 6 ARG H 1 6 ARG+ HN 1 1
56 1 2 1 1 6 ARG HB2 1 6 ARG+ HB2 1 1
57 1 1 1 1 6 ARG H 1 6 ARG+ HN 1 1
57 1 2 1 1 6 ARG HB3 1 6 ARG+ HB1 1 1
58 1 1 1 1 6 ARG H 1 6 ARG+ HN 1 1
58 1 2 1 1 6 ARG QD 1 6 ARG+ HD* 1 1
59 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
59 1 2 1 1 6 ARG HB2 1 6 ARG+ HB2 1 1
60 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
60 1 2 1 1 6 ARG HB3 1 6 ARG+ HB1 1 1
61 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
61 1 2 1 1 6 ARG QD 1 6 ARG+ HD* 1 1
62 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
62 1 2 1 1 6 ARG HE 1 6 ARG+ HE 1 1
63 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
63 1 2 1 1 7 GLN H 1 7 GLN HN 1 1
64 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
64 1 2 1 1 8 ARG H 1 8 ARG+ HN 1 1
65 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
65 1 2 1 1 9 LEU H 1 9 LEU HN 1 1
66 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
66 1 2 1 1 9 LEU QB 1 9 LEU HB* 1 1
67 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
67 1 2 1 1 9 LEU HG 1 9 LEU HG 1 1
68 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
68 1 2 1 1 10 ALA H 1 10 ALA HN 1 1
69 1 1 1 1 6 ARG HB2 1 6 ARG+ HB2 1 1
69 1 2 1 1 7 GLN H 1 7 GLN HN 1 1
70 1 1 1 1 6 ARG HB3 1 6 ARG+ HB1 1 1
70 1 2 1 1 7 GLN H 1 7 GLN HN 1 1
71 1 1 1 1 7 GLN H 1 7 GLN HN 1 1
71 1 2 1 1 7 GLN HA 1 7 GLN HA 1 1
72 1 1 1 1 7 GLN H 1 7 GLN HN 1 1
72 1 2 1 1 7 GLN QB 1 7 GLN HB* 1 1
73 1 1 1 1 7 GLN H 1 7 GLN HN 1 1
73 1 2 1 1 7 GLN HG2 1 7 GLN HG2 1 1
74 1 1 1 1 7 GLN H 1 7 GLN HN 1 1
74 1 2 1 1 7 GLN HG3 1 7 GLN HG1 1 1
75 1 1 1 1 7 GLN H 1 7 GLN HN 1 1
75 1 2 1 1 8 ARG H 1 8 ARG+ HN 1 1
76 1 1 1 1 7 GLN HA 1 7 GLN HA 1 1
76 1 2 1 1 7 GLN QB 1 7 GLN HB* 1 1
77 1 1 1 1 7 GLN HA 1 7 GLN HA 1 1
77 1 2 1 1 7 GLN HG2 1 7 GLN HG2 1 1
78 1 1 1 1 7 GLN HA 1 7 GLN HA 1 1
78 1 2 1 1 7 GLN HG3 1 7 GLN HG1 1 1
79 1 1 1 1 7 GLN HA 1 7 GLN HA 1 1
79 1 2 1 1 10 ALA H 1 10 ALA HN 1 1
80 1 1 1 1 7 GLN HA 1 7 GLN HA 1 1
80 1 2 1 1 10 ALA MB 1 10 ALA HB* 1 1
81 1 1 1 1 7 GLN QB 1 7 GLN HB* 1 1
81 1 2 1 1 8 ARG H 1 8 ARG+ HN 1 1
82 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1
82 1 2 1 1 8 ARG HA 1 8 ARG+ HA 1 1
83 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1
83 1 2 1 1 8 ARG HB2 1 8 ARG+ HB2 1 1
84 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1
84 1 2 1 1 8 ARG HB3 1 8 ARG+ HB1 1 1
85 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1
85 1 2 1 1 8 ARG QD 1 8 ARG+ HD* 1 1
86 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1
86 1 2 1 1 8 ARG QG 1 8 ARG+ HG* 1 1
87 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1
87 1 2 1 1 9 LEU H 1 9 LEU HN 1 1
88 1 1 1 1 8 ARG HA 1 8 ARG+ HA 1 1
88 1 2 1 1 8 ARG HB2 1 8 ARG+ HB2 1 1
89 1 1 1 1 8 ARG HA 1 8 ARG+ HA 1 1
89 1 2 1 1 8 ARG QD 1 8 ARG+ HD* 1 1
90 1 1 1 1 8 ARG HA 1 8 ARG+ HA 1 1
90 1 2 1 1 8 ARG HE 1 8 ARG+ HE 1 1
91 1 1 1 1 8 ARG HA 1 8 ARG+ HA 1 1
91 1 2 1 1 9 LEU H 1 9 LEU HN 1 1
92 1 1 1 1 8 ARG HA 1 8 ARG+ HA 1 1
92 1 2 1 1 11 ALA H 1 11 ALA HN 1 1
93 1 1 1 1 8 ARG HA 1 8 ARG+ HA 1 1
93 1 2 1 1 12 ARG H 1 12 ARG+ HN 1 1
94 1 1 1 1 8 ARG HB2 1 8 ARG+ HB2 1 1
94 1 2 1 1 8 ARG HE 1 8 ARG+ HE 1 1
95 1 1 1 1 8 ARG HB3 1 8 ARG+ HB1 1 1
95 1 2 1 1 8 ARG HE 1 8 ARG+ HE 1 1
96 1 1 1 1 8 ARG HB3 1 8 ARG+ HB1 1 1
96 1 2 1 1 9 LEU H 1 9 LEU HN 1 1
97 1 1 1 1 9 LEU H 1 9 LEU HN 1 1
97 1 2 1 1 9 LEU HA 1 9 LEU HA 1 1
98 1 1 1 1 9 LEU H 1 9 LEU HN 1 1
98 1 2 1 1 9 LEU QB 1 9 LEU HB* 1 1
99 1 1 1 1 9 LEU H 1 9 LEU HN 1 1
99 1 2 1 1 9 LEU MD1 1 9 LEU HD1* 1 1
100 1 1 1 1 9 LEU H 1 9 LEU HN 1 1
100 1 2 1 1 9 LEU MD2 1 9 LEU HD2* 1 1
101 1 1 1 1 9 LEU H 1 9 LEU HN 1 1
101 1 2 1 1 9 LEU HG 1 9 LEU HG 1 1
102 1 1 1 1 9 LEU H 1 9 LEU HN 1 1
102 1 2 1 1 10 ALA H 1 10 ALA HN 1 1
103 1 1 1 1 9 LEU HA 1 9 LEU HA 1 1
103 1 2 1 1 9 LEU QB 1 9 LEU HB* 1 1
104 1 1 1 1 9 LEU HA 1 9 LEU HA 1 1
104 1 2 1 1 9 LEU HG 1 9 LEU HG 1 1
105 1 1 1 1 9 LEU HA 1 9 LEU HA 1 1
105 1 2 1 1 11 ALA H 1 11 ALA HN 1 1
106 1 1 1 1 9 LEU HA 1 9 LEU HA 1 1
106 1 2 1 1 12 ARG H 1 12 ARG+ HN 1 1
107 1 1 1 1 9 LEU HA 1 9 LEU HA 1 1
107 1 2 1 1 12 ARG HB2 1 12 ARG+ HB2 1 1
108 1 1 1 1 9 LEU HA 1 9 LEU HA 1 1
108 1 2 1 1 12 ARG HB3 1 12 ARG+ HB1 1 1
109 1 1 1 1 9 LEU QB 1 9 LEU HB* 1 1
109 1 2 1 1 10 ALA H 1 10 ALA HN 1 1
110 1 1 1 1 9 LEU MD2 1 9 LEU HD2* 1 1
110 1 2 1 1 10 ALA H 1 10 ALA HN 1 1
111 1 1 1 1 10 ALA H 1 10 ALA HN 1 1
111 1 2 1 1 10 ALA HA 1 10 ALA HA 1 1
112 1 1 1 1 10 ALA H 1 10 ALA HN 1 1
112 1 2 1 1 10 ALA MB 1 10 ALA HB* 1 1
113 1 1 1 1 10 ALA H 1 10 ALA HN 1 1
113 1 2 1 1 11 ALA H 1 11 ALA HN 1 1
114 1 1 1 1 10 ALA HA 1 10 ALA HA 1 1
114 1 2 1 1 11 ALA H 1 11 ALA HN 1 1
115 1 1 1 1 10 ALA HA 1 10 ALA HA 1 1
115 1 2 1 1 12 ARG H 1 12 ARG+ HN 1 1
116 1 1 1 1 10 ALA HA 1 10 ALA HA 1 1
116 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
117 1 1 1 1 10 ALA HA 1 10 ALA HA 1 1
117 1 2 1 1 13 LEU QB 1 13 LEU HB* 1 1
118 1 1 1 1 10 ALA HA 1 10 ALA HA 1 1
118 1 2 1 1 13 LEU QD 1 13 LEU HD* 1 1
119 1 1 1 1 11 ALA H 1 11 ALA HN 1 1
119 1 2 1 1 11 ALA HA 1 11 ALA HA 1 1
120 1 1 1 1 11 ALA H 1 11 ALA HN 1 1
120 1 2 1 1 11 ALA MB 1 11 ALA HB* 1 1
121 1 1 1 1 11 ALA H 1 11 ALA HN 1 1
121 1 2 1 1 12 ARG H 1 12 ARG+ HN 1 1
122 1 1 1 1 11 ALA HA 1 11 ALA HA 1 1
122 1 2 1 1 14 GLU H 1 14 GLU- HN 1 1
123 1 1 1 1 11 ALA HA 1 11 ALA HA 1 1
123 1 2 1 1 14 GLU HB2 1 14 GLU- HB2 1 1
124 1 1 1 1 11 ALA HA 1 11 ALA HA 1 1
124 1 2 1 1 14 GLU HG2 1 14 GLU- HG2 1 1
125 1 1 1 1 11 ALA HA 1 11 ALA HA 1 1
125 1 2 1 1 14 GLU HG3 1 14 GLU- HG1 1 1
126 1 1 1 1 11 ALA MB 1 11 ALA HB* 1 1
126 1 2 1 1 12 ARG H 1 12 ARG+ HN 1 1
127 1 1 1 1 12 ARG H 1 12 ARG+ HN 1 1
127 1 2 1 1 12 ARG HA 1 12 ARG+ HA 1 1
128 1 1 1 1 12 ARG H 1 12 ARG+ HN 1 1
128 1 2 1 1 12 ARG HB2 1 12 ARG+ HB2 1 1
129 1 1 1 1 12 ARG H 1 12 ARG+ HN 1 1
129 1 2 1 1 12 ARG HB3 1 12 ARG+ HB1 1 1
130 1 1 1 1 12 ARG H 1 12 ARG+ HN 1 1
130 1 2 1 1 12 ARG HD2 1 12 ARG+ HD2 1 1
131 1 1 1 1 12 ARG H 1 12 ARG+ HN 1 1
131 1 2 1 1 12 ARG HD3 1 12 ARG+ HD1 1 1
132 1 1 1 1 12 ARG H 1 12 ARG+ HN 1 1
132 1 2 1 1 12 ARG HG2 1 12 ARG+ HG2 1 1
133 1 1 1 1 12 ARG H 1 12 ARG+ HN 1 1
133 1 2 1 1 12 ARG HG3 1 12 ARG+ HG1 1 1
134 1 1 1 1 12 ARG H 1 12 ARG+ HN 1 1
134 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
135 1 1 1 1 12 ARG HA 1 12 ARG+ HA 1 1
135 1 2 1 1 12 ARG HB2 1 12 ARG+ HB2 1 1
136 1 1 1 1 12 ARG HA 1 12 ARG+ HA 1 1
136 1 2 1 1 12 ARG HD2 1 12 ARG+ HD2 1 1
137 1 1 1 1 12 ARG HA 1 12 ARG+ HA 1 1
137 1 2 1 1 12 ARG HD3 1 12 ARG+ HD1 1 1
138 1 1 1 1 12 ARG HA 1 12 ARG+ HA 1 1
138 1 2 1 1 12 ARG HE 1 12 ARG+ HE 1 1
139 1 1 1 1 12 ARG HA 1 12 ARG+ HA 1 1
139 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
140 1 1 1 1 12 ARG HB2 1 12 ARG+ HB2 1 1
140 1 2 1 1 12 ARG HE 1 12 ARG+ HE 1 1
141 1 1 1 1 12 ARG HB2 1 12 ARG+ HB2 1 1
141 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
142 1 1 1 1 12 ARG HB3 1 12 ARG+ HB1 1 1
142 1 2 1 1 12 ARG HE 1 12 ARG+ HE 1 1
143 1 1 1 1 12 ARG HB3 1 12 ARG+ HB1 1 1
143 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
144 1 1 1 1 12 ARG HD2 1 12 ARG+ HD2 1 1
144 1 2 1 1 12 ARG HE 1 12 ARG+ HE 1 1
145 1 1 1 1 12 ARG HD3 1 12 ARG+ HD1 1 1
145 1 2 1 1 12 ARG HE 1 12 ARG+ HE 1 1
146 1 1 1 1 12 ARG HE 1 12 ARG+ HE 1 1
146 1 2 1 1 12 ARG HG2 1 12 ARG+ HG2 1 1
147 1 1 1 1 12 ARG HE 1 12 ARG+ HE 1 1
147 1 2 1 1 12 ARG HG3 1 12 ARG+ HG1 1 1
148 1 1 1 1 13 LEU H 1 13 LEU HN 1 1
148 1 2 1 1 13 LEU HA 1 13 LEU HA 1 1
149 1 1 1 1 13 LEU H 1 13 LEU HN 1 1
149 1 2 1 1 13 LEU QB 1 13 LEU HB* 1 1
150 1 1 1 1 13 LEU H 1 13 LEU HN 1 1
150 1 2 1 1 13 LEU QD 1 13 LEU HD* 1 1
151 1 1 1 1 13 LEU HA 1 13 LEU HA 1 1
151 1 2 1 1 15 ALA H 1 15 ALA HN 1 1
152 1 1 1 1 13 LEU HA 1 13 LEU HA 1 1
152 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
153 1 1 1 1 13 LEU HA 1 13 LEU HA 1 1
153 1 2 1 1 17 LYS H 1 17 LYS+ HN 1 1
154 1 1 1 1 13 LEU QB 1 13 LEU HB* 1 1
154 1 2 1 1 14 GLU H 1 14 GLU- HN 1 1
155 1 1 1 1 13 LEU QD 1 13 LEU HD* 1 1
155 1 2 1 1 14 GLU H 1 14 GLU- HN 1 1
156 1 1 1 1 13 LEU HG 1 13 LEU HG 1 1
156 1 2 1 1 14 GLU H 1 14 GLU- HN 1 1
157 1 1 1 1 14 GLU H 1 14 GLU- HN 1 1
157 1 2 1 1 14 GLU HA 1 14 GLU- HA 1 1
158 1 1 1 1 14 GLU H 1 14 GLU- HN 1 1
158 1 2 1 1 14 GLU HB2 1 14 GLU- HB2 1 1
159 1 1 1 1 14 GLU H 1 14 GLU- HN 1 1
159 1 2 1 1 14 GLU HB3 1 14 GLU- HB1 1 1
160 1 1 1 1 14 GLU H 1 14 GLU- HN 1 1
160 1 2 1 1 14 GLU HG2 1 14 GLU- HG2 1 1
161 1 1 1 1 14 GLU H 1 14 GLU- HN 1 1
161 1 2 1 1 14 GLU HG3 1 14 GLU- HG1 1 1
162 1 1 1 1 14 GLU H 1 14 GLU- HN 1 1
162 1 2 1 1 15 ALA H 1 15 ALA HN 1 1
163 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
163 1 2 1 1 14 GLU HB2 1 14 GLU- HB2 1 1
164 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
164 1 2 1 1 14 GLU HB3 1 14 GLU- HB1 1 1
165 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
165 1 2 1 1 14 GLU HG2 1 14 GLU- HG2 1 1
166 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
166 1 2 1 1 14 GLU HG3 1 14 GLU- HG1 1 1
167 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
167 1 2 1 1 15 ALA H 1 15 ALA HN 1 1
168 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
168 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
169 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
169 1 2 1 1 17 LYS H 1 17 LYS+ HN 1 1
170 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
170 1 2 1 1 17 LYS HB2 1 17 LYS+ HB1 1 1
171 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
171 1 2 1 1 17 LYS QD 1 17 LYS+ HD* 1 1
172 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
172 1 2 1 1 18 GLU H 1 18 GLU- HN 1 1
173 1 1 1 1 14 GLU HB2 1 14 GLU- HB2 1 1
173 1 2 1 1 15 ALA H 1 15 ALA HN 1 1
174 1 1 1 1 14 GLU HB3 1 14 GLU- HB1 1 1
174 1 2 1 1 15 ALA H 1 15 ALA HN 1 1
175 1 1 1 1 15 ALA H 1 15 ALA HN 1 1
175 1 2 1 1 15 ALA HA 1 15 ALA HA 1 1
176 1 1 1 1 15 ALA H 1 15 ALA HN 1 1
176 1 2 1 1 15 ALA MB 1 15 ALA HB* 1 1
177 1 1 1 1 15 ALA H 1 15 ALA HN 1 1
177 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
178 1 1 1 1 15 ALA H 1 15 ALA HN 1 1
178 1 2 1 1 16 LEU QB 1 16 LEU HB* 1 1
179 1 1 1 1 15 ALA H 1 15 ALA HN 1 1
179 1 2 1 1 16 LEU QD 1 16 LEU HD* 1 1
180 1 1 1 1 15 ALA H 1 15 ALA HN 1 1
180 1 2 1 1 16 LEU HG 1 16 LEU HG 1 1
181 1 1 1 1 15 ALA MB 1 15 ALA HB* 1 1
181 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
182 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
182 1 2 1 1 16 LEU HA 1 16 LEU HA 1 1
183 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
183 1 2 1 1 16 LEU QB 1 16 LEU HB* 1 1
184 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
184 1 2 1 1 16 LEU QD 1 16 LEU HD* 1 1
185 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
185 1 2 1 1 16 LEU HG 1 16 LEU HG 1 1
186 1 1 1 1 16 LEU HA 1 16 LEU HA 1 1
186 1 2 1 1 16 LEU QB 1 16 LEU HB* 1 1
187 1 1 1 1 16 LEU HA 1 16 LEU HA 1 1
187 1 2 1 1 16 LEU HG 1 16 LEU HG 1 1
188 1 1 1 1 16 LEU QD 1 16 LEU HD* 1 1
188 1 2 1 1 17 LYS H 1 17 LYS+ HN 1 1
189 1 1 1 1 17 LYS H 1 17 LYS+ HN 1 1
189 1 2 1 1 17 LYS HA 1 17 LYS+ HA 1 1
190 1 1 1 1 17 LYS H 1 17 LYS+ HN 1 1
190 1 2 1 1 17 LYS HB3 1 17 LYS+ HB2 1 1
191 1 1 1 1 17 LYS H 1 17 LYS+ HN 1 1
191 1 2 1 1 17 LYS QG 1 17 LYS+ HG2 1 1
192 1 1 1 1 17 LYS H 1 17 LYS+ HN 1 1
192 1 2 1 1 18 GLU H 1 18 GLU- HN 1 1
193 1 1 1 1 17 LYS HA 1 17 LYS+ HA 1 1
193 1 2 1 1 17 LYS HB3 1 17 LYS+ HB2 1 1
194 1 1 1 1 17 LYS HA 1 17 LYS+ HA 1 1
194 1 2 1 1 17 LYS QG 1 17 LYS+ HG1 1 1
195 1 1 1 1 17 LYS HA 1 17 LYS+ HA 1 1
195 1 2 1 1 18 GLU H 1 18 GLU- HN 1 1
196 1 1 1 1 17 LYS HA 1 17 LYS+ HA 1 1
196 1 2 1 1 19 ASN H 1 19 ASN HN 1 1
197 1 1 1 1 17 LYS HA 1 17 LYS+ HA 1 1
197 1 2 1 1 20 GLY H 1 20 GLYC HN 1 1
198 1 1 1 1 17 LYS HB2 1 17 LYS+ HB1 1 1
198 1 2 1 1 18 GLU H 1 18 GLU- HN 1 1
199 1 1 1 1 18 GLU H 1 18 GLU- HN 1 1
199 1 2 1 1 18 GLU HA 1 18 GLU- HA 1 1
200 1 1 1 1 18 GLU H 1 18 GLU- HN 1 1
200 1 2 1 1 18 GLU HB2 1 18 GLU- HB2 1 1
201 1 1 1 1 18 GLU H 1 18 GLU- HN 1 1
201 1 2 1 1 18 GLU HB3 1 18 GLU- HB1 1 1
202 1 1 1 1 18 GLU H 1 18 GLU- HN 1 1
202 1 2 1 1 18 GLU HG2 1 18 GLU- HG2 1 1
203 1 1 1 1 18 GLU H 1 18 GLU- HN 1 1
203 1 2 1 1 18 GLU HG3 1 18 GLU- HG1 1 1
204 1 1 1 1 18 GLU H 1 18 GLU- HN 1 1
204 1 2 1 1 19 ASN H 1 19 ASN HN 1 1
205 1 1 1 1 18 GLU HA 1 18 GLU- HA 1 1
205 1 2 1 1 18 GLU HB3 1 18 GLU- HB1 1 1
206 1 1 1 1 18 GLU HA 1 18 GLU- HA 1 1
206 1 2 1 1 18 GLU HG3 1 18 GLU- HG1 1 1
207 1 1 1 1 18 GLU HA 1 18 GLU- HA 1 1
207 1 2 1 1 19 ASN H 1 19 ASN HN 1 1
208 1 1 1 1 19 ASN H 1 19 ASN HN 1 1
208 1 2 1 1 19 ASN HA 1 19 ASN HA 1 1
209 1 1 1 1 19 ASN H 1 19 ASN HN 1 1
209 1 2 1 1 19 ASN QB 1 19 ASN HB2 1 1
210 1 1 1 1 19 ASN HA 1 19 ASN HA 1 1
210 1 2 1 1 19 ASN QB 1 19 ASN HB2 1 1
211 1 1 1 1 19 ASN HA 1 19 ASN HA 1 1
211 1 2 1 1 20 GLY H 1 20 GLYC HN 1 1
212 1 1 1 1 20 GLY H 1 20 GLYC HN 1 1
212 1 2 1 1 20 GLY HA2 1 20 GLYC HA2 1 1
213 1 1 1 1 20 GLY H 1 20 GLYC HN 1 1
213 1 2 1 1 20 GLY HA3 1 20 GLYC HA1 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.5 2.51 3.5 1 1
2 1 . . . . . 3.5 2.51 5.5 1 1
3 1 . . . . . 5.0 3.51 7.0 1 1
4 1 . . . . . 5.0 3.51 7.4 1 1
5 1 . . . . . 5.0 3.51 8.85 1 1
6 1 . . . . . 5.0 3.51 9.55 1 1
7 1 . . . . . 5.0 3.51 9.55 1 1
8 1 . . . . . 5.0 3.51 7.3 1 1
9 1 . . . . . 5.0 3.51 9.0 1 1
10 1 . . . . . 5.0 2.51 5.0 1 1
11 1 . . . . . 5.0 2.51 5.0 1 1
12 1 . . . . . 2.5 1.8 2.8 1 1
13 1 . . . . . 5.0 3.51 5.5 1 1
14 1 . . . . . 5.0 3.51 5.5 1 1
15 1 . . . . . 5.0 3.51 5.0 1 1
16 1 . . . . . 5.0 3.51 7.0 1 1
17 1 . . . . . 5.0 3.51 6.0 1 1
18 1 . . . . . 5.0 3.51 5.0 1 1
19 1 . . . . . 2.5 1.8 3.1 1 1
20 1 . . . . . 2.5 1.8 3.75 1 1
21 1 . . . . . 5.0 3.41 5.0 1 1
22 1 . . . . . 2.5 1.8 3.5 1 1
23 1 . . . . . 3.5 2.41 3.5 1 1
24 1 . . . . . 5.0 3.51 5.0 1 1
25 1 . . . . . 5.0 3.51 5.0 1 1
26 1 . . . . . 5.0 3.51 5.0 1 1
27 1 . . . . . 5.0 3.51 5.15 1 1
28 1 . . . . . 2.5 1.8 3.8 1 1
29 1 . . . . . 2.5 1.8 3.01 1 1
30 1 . . . . . 2.503 1.8 3.85 1 1
31 1 . . . . . 3.5 2.51 3.65 1 1
32 1 . . . . . 3.5 2.51 3.7 1 1
33 1 . . . . . 2.5 1.8 2.5 1 1
34 1 . . . . . 5.0 3.51 5.0 1 1
35 1 . . . . . 2.5 1.8 3.5 1 1
36 1 . . . . . 3.5 2.51 3.8 1 1
37 1 . . . . . 3.5 2.51 3.9 1 1
38 1 . . . . . 3.5 2.51 4.5 1 1
39 1 . . . . . 3.389 1.8 3.85 1 1
40 1 . . . . . 2.5 1.8 3.02 1 1
41 1 . . . . . 2.5 1.8 3.5 1 1
42 1 . . . . . 5.0 3.51 6.5 1 1
43 1 . . . . . 5.0 3.51 6.5 1 1
44 1 . . . . . 3.5 2.51 3.5 1 1
45 1 . . . . . 2.5 1.8 2.5 1 1
46 1 . . . . . 2.5 1.8 3.5 1 1
47 1 . . . . . 3.5 2.51 5.0 1 1
48 1 . . . . . 3.5 2.51 3.5 1 1
49 1 . . . . . 3.5 2.51 3.5 1 1
50 1 . . . . . 3.5 2.51 3.5 1 1
51 1 . . . . . 5.0 3.51 6.0 1 1
52 1 . . . . . 2.5 1.8 3.7 1 1
53 1 . . . . . 6.301 3.51 6.5 1 1
54 1 . . . . . 5.0 3.51 6.5 1 1
55 1 . . . . . 2.5 1.8 3.0 1 1
56 1 . . . . . 2.5 1.8 2.6 1 1
57 1 . . . . . 2.5 1.8 2.63 1 1
58 1 . . . . . 4.92 3.51 6.0 1 1
59 1 . . . . . 2.5 1.8 3.05 1 1
60 1 . . . . . 2.5 1.8 3.05 1 1
61 1 . . . . . 5.0 3.51 6.0 1 1
62 1 . . . . . 5.0 3.51 5.03 1 1
63 1 . . . . . 3.5 2.51 3.5 1 1
64 1 . . . . . 5.0 3.51 5.0 1 1
65 1 . . . . . 3.5 2.51 3.5 1 1
66 1 . . . . . 2.5 1.8 3.97 1 1
67 1 . . . . . 3.5 2.51 3.67 1 1
68 1 . . . . . 5.0 3.51 5.0 1 1
69 1 . . . . . 3.5 2.51 3.68 1 1
70 1 . . . . . 3.5 2.51 3.68 1 1
71 1 . . . . . 2.5 1.8 2.9 1 1
72 1 . . . . . 2.5 1.8 3.5 1 1
73 1 . . . . . 3.5 2.51 3.8 1 1
74 1 . . . . . 3.5 2.51 3.8 1 1
75 1 . . . . . 2.5 1.8 2.5 1 1
76 1 . . . . . 2.5 1.8 3.5 1 1
77 1 . . . . . 3.389 2.51 3.9 1 1
78 1 . . . . . 3.389 2.51 4.2 1 1
79 1 . . . . . 3.5 2.51 3.5 1 1
80 1 . . . . . 2.5 1.8 4.0 1 1
81 1 . . . . . 3.5 2.51 4.5 1 1
82 1 . . . . . 2.5 1.8 2.95 1 1
83 1 . . . . . 2.5 1.8 2.5 1 1
84 1 . . . . . 2.5 1.8 2.52 1 1
85 1 . . . . . 5.0 3.51 6.0 1 1
86 1 . . . . . 3.501 2.51 4.5 1 1
87 1 . . . . . 2.5 1.8 2.5 1 1
88 1 . . . . . 2.5 1.8 3.02 1 1
89 1 . . . . . 5.0 3.51 6.0 1 1
90 1 . . . . . 5.0 3.51 5.2 1 1
91 1 . . . . . 3.5 2.51 3.5 1 1
92 1 . . . . . 3.5 2.51 3.5 1 1
93 1 . . . . . 5.0 3.51 5.0 1 1
94 1 . . . . . 5.0 3.51 5.0 1 1
95 1 . . . . . 3.5 2.51 3.5 1 1
96 1 . . . . . 2.5 1.8 2.5 1 1
97 1 . . . . . 2.5 1.8 2.95 1 1
98 1 . . . . . 2.5 1.8 3.5 1 1
99 1 . . . . . 5.0 3.51 6.5 1 1
100 1 . . . . . 3.5 2.51 5.08 1 1
101 1 . . . . . 3.5 2.51 3.87 1 1
102 1 . . . . . 2.5 1.8 2.5 1 1
103 1 . . . . . 2.5 1.8 3.5 1 1
104 1 . . . . . 3.5 2.51 3.8 1 1
105 1 . . . . . 5.0 3.51 5.0 1 1
106 1 . . . . . 3.5 2.51 3.52 1 1
107 1 . . . . . 3.5 2.51 3.95 1 1
108 1 . . . . . 3.5 2.51 3.5 1 1
109 1 . . . . . 2.5 1.8 3.7 1 1
110 1 . . . . . 5.0 3.51 6.5 1 1
111 1 . . . . . 2.5 1.8 2.9 1 1
112 1 . . . . . 2.5 1.8 4.0 1 1
113 1 . . . . . 2.5 1.8 2.5 1 1
114 1 . . . . . 3.5 2.51 3.5 1 1
115 1 . . . . . 5.0 3.51 5.0 1 1
116 1 . . . . . 3.5 2.51 3.5 1 1
117 1 . . . . . 2.5 1.8 3.88 1 1
118 1 . . . . . 3.5 2.51 5.9 1 1
119 1 . . . . . 2.5 1.8 2.9 1 1
120 1 . . . . . 2.5 1.8 4.0 1 1
121 1 . . . . . 2.5 1.8 2.5 1 1
122 1 . . . . . 3.5 2.51 3.61 1 1
123 1 . . . . . 3.5 2.51 3.5 1 1
124 1 . . . . . 5.0 3.51 5.0 1 1
125 1 . . . . . 5.0 3.51 5.0 1 1
126 1 . . . . . 2.5 1.8 4.0 1 1
127 1 . . . . . 2.5 1.8 2.96 1 1
128 1 . . . . . 3.5 2.51 3.68 1 1
129 1 . . . . . 2.5 1.8 2.5 1 1
130 1 . . . . . 4.92 3.51 5.34 1 1
131 1 . . . . . 4.92 3.51 5.34 1 1
132 1 . . . . . 5.0 3.51 5.0 1 1
133 1 . . . . . 5.0 3.51 5.0 1 1
134 1 . . . . . 2.5 1.8 2.5 1 1
135 1 . . . . . 2.5 1.8 2.85 1 1
136 1 . . . . . 3.385 2.51 3.55 1 1
137 1 . . . . . 3.385 2.51 3.65 1 1
138 1 . . . . . 5.0 3.51 5.3 1 1
139 1 . . . . . 3.5 2.51 3.5 1 1
140 1 . . . . . 5.0 3.51 5.0 1 1
141 1 . . . . . 3.5 2.51 3.6 1 1
142 1 . . . . . 5.0 3.51 5.2 1 1
143 1 . . . . . 2.5 1.8 2.59 1 1
144 1 . . . . . 2.5 1.8 2.99 1 1
145 1 . . . . . 2.5 1.8 2.92 1 1
146 1 . . . . . 3.5 2.51 3.55 1 1
147 1 . . . . . 3.387 2.51 3.6 1 1
148 1 . . . . . 2.5 1.8 2.93 1 1
149 1 . . . . . 2.5 1.8 3.5 1 1
150 1 . . . . . 3.5 2.51 5.9 1 1
151 1 . . . . . 5.0 3.51 5.0 1 1
152 1 . . . . . 3.5 2.51 3.6 1 1
153 1 . . . . . 5.0 3.51 5.0 1 1
154 1 . . . . . 2.5 1.8 3.5 1 1
155 1 . . . . . 5.0 3.51 7.4 1 1
156 1 . . . . . 3.5 2.51 3.51 1 1
157 1 . . . . . 2.5 1.8 2.9 1 1
158 1 . . . . . 2.5 1.8 2.5 1 1
159 1 . . . . . 2.5 1.8 2.55 1 1
160 1 . . . . . 5.0 3.51 5.0 1 1
161 1 . . . . . 5.0 3.51 5.0 1 1
162 1 . . . . . 2.5 1.8 2.5 1 1
163 1 . . . . . 2.5 1.8 2.91 1 1
164 1 . . . . . 2.342 1.8 3.03 1 1
165 1 . . . . . 3.5 2.51 3.5 1 1
166 1 . . . . . 3.5 2.51 3.51 1 1
167 1 . . . . . 3.5 2.51 3.5 1 1
168 1 . . . . . 5.0 3.51 5.2 1 1
169 1 . . . . . 3.5 2.51 3.57 1 1
170 1 . . . . . 5.0 3.51 5.25 1 1
171 1 . . . . . 3.388 2.51 4.54 1 1
172 1 . . . . . 5.0 3.51 5.0 1 1
173 1 . . . . . 3.5 2.51 3.7 1 1
174 1 . . . . . 2.5 1.8 2.55 1 1
175 1 . . . . . 2.5 1.8 2.89 1 1
176 1 . . . . . 2.5 1.8 4.0 1 1
177 1 . . . . . 2.5 1.8 2.5 1 1
178 1 . . . . . 5.0 3.51 6.0 1 1
179 1 . . . . . 5.0 3.51 7.4 1 1
180 1 . . . . . 5.0 3.51 5.0 1 1
181 1 . . . . . 2.5 1.8 4.3 1 1
182 1 . . . . . 2.5 1.8 2.97 1 1
183 1 . . . . . 2.5 1.8 3.57 1 1
184 1 . . . . . 4.739 2.51 5.9 1 1
185 1 . . . . . 3.5 2.51 3.65 1 1
186 1 . . . . . 2.5 1.8 3.5 1 1
187 1 . . . . . 3.5 2.51 3.6 1 1
188 1 . . . . . 5.0 3.51 7.4 1 1
189 1 . . . . . 2.5 1.8 2.96 1 1
190 1 . . . . . 2.5 1.8 2.78 1 1
191 1 . . . . . . 2.51 2.6 1 1
192 1 . . . . . 2.5 1.8 2.7 1 1
193 1 . . . . . 3.5 2.51 3.5 1 1
194 1 . . . . . 5.0 3.51 5.0 1 1
195 1 . . . . . 3.5 2.51 3.5 1 1
196 1 . . . . . 5.0 3.51 5.0 1 1
197 1 . . . . . 5.0 2.51 5.0 1 1
198 1 . . . . . 5.0 3.51 5.0 1 1
199 1 . . . . . 2.5 1.8 2.98 1 1
200 1 . . . . . 2.5 1.8 2.5 1 1
201 1 . . . . . 2.5 1.8 2.5 1 1
202 1 . . . . . 5.0 2.51 5.0 1 1
203 1 . . . . . 5.0 2.51 5.0 1 1
204 1 . . . . . 5.0 3.51 5.0 1 1
205 1 . . . . . 2.5 1.8 3.05 1 1
206 1 . . . . . 5.0 2.51 5.0 1 1
207 1 . . . . . 3.5 2.51 3.5 1 1
208 1 . . . . . 3.5 2.51 3.5 1 1
209 1 . . . . . 5.0 3.51 5.0 1 1
210 1 . . . . . . 2.51 3.5 1 1
211 1 . . . . . 5.0 3.51 5.0 1 1
212 1 . . . . . 3.5 2.51 3.5 1 1
213 1 . . . . . 3.5 2.51 3.5 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 TYR C C 2.282 10.937 6.341 1.00 . A A . 1 TYR C 1 1
1 2 1 1 1 TYR CA C 1.462 11.698 5.326 1.00 . A A . 1 TYR CA 1 1
1 3 1 1 1 TYR CB C 1.795 11.117 3.918 1.00 . A A . 1 TYR CB 1 1
1 4 1 1 1 TYR CD1 C 4.233 10.410 3.820 1.00 . A A . 1 TYR CD1 1 1
1 5 1 1 1 TYR CD2 C 3.571 12.391 2.606 1.00 . A A . 1 TYR CD2 1 1
1 6 1 1 1 TYR CE1 C 5.539 10.568 3.367 1.00 . A A . 1 TYR CE1 1 1
1 7 1 1 1 TYR CE2 C 4.880 12.548 2.155 1.00 . A A . 1 TYR CE2 1 1
1 8 1 1 1 TYR CG C 3.237 11.312 3.430 1.00 . A A . 1 TYR CG 1 1
1 9 1 1 1 TYR CZ C 5.861 11.636 2.533 1.00 . A A . 1 TYR CZ 1 1
1 10 1 1 1 TYR H1 H 2.038 13.389 6.329 1.00 . A A . 1 TYR H1 1 1
1 11 1 1 1 TYR H2 H 2.510 13.349 4.716 1.00 . A A . 1 TYR H2 1 1
1 12 1 1 1 TYR H3 H 0.906 13.658 5.115 1.00 . A A . 1 TYR H3 1 1
1 13 1 1 1 TYR HA H 0.394 11.539 5.568 1.00 . A A . 1 TYR HA 1 1
1 14 1 1 1 TYR HB2 H 1.581 10.028 3.911 1.00 . A A . 1 TYR HB2 1 1
1 15 1 1 1 TYR HB3 H 1.090 11.519 3.161 1.00 . A A . 1 TYR HB3 1 1
1 16 1 1 1 TYR HD1 H 3.989 9.576 4.465 1.00 . A A . 1 TYR HD1 1 1
1 17 1 1 1 TYR HD2 H 2.813 13.098 2.299 1.00 . A A . 1 TYR HD2 1 1
1 18 1 1 1 TYR HE1 H 6.296 9.860 3.670 1.00 . A A . 1 TYR HE1 1 1
1 19 1 1 1 TYR HE2 H 5.137 13.378 1.513 1.00 . A A . 1 TYR HE2 1 1
1 20 1 1 1 TYR HH H 7.444 10.959 1.722 1.00 . A A . 1 TYR HH 1 1
1 21 1 1 1 TYR N N 1.750 13.128 5.376 1.00 . A A . 1 TYR N 1 1
1 22 1 1 1 TYR O O 1.794 10.035 7.031 1.00 . A A . 1 TYR O 1 1
1 23 1 1 1 TYR OH O 7.144 11.792 2.090 1.00 . A A . 1 TYR OH 1 1
1 24 1 1 2 SER C C 4.798 9.220 6.700 1.00 . A A . 2 SER C 1 1
1 25 1 1 2 SER CA C 4.485 10.572 7.304 1.00 . A A . 2 SER CA 1 1
1 26 1 1 2 SER CB C 3.950 10.474 8.755 1.00 . A A . 2 SER CB 1 1
1 27 1 1 2 SER H H 3.828 12.140 5.897 1.00 . A A . 2 SER H 1 1
1 28 1 1 2 SER HA H 5.435 11.137 7.327 1.00 . A A . 2 SER HA 1 1
1 29 1 1 2 SER HB2 H 3.264 11.326 8.953 1.00 . A A . 2 SER HB2 1 1
1 30 1 1 2 SER HB3 H 3.329 9.572 8.911 1.00 . A A . 2 SER HB3 1 1
1 31 1 1 2 SER HG H 4.928 9.708 10.258 1.00 . A A . 2 SER HG 1 1
1 32 1 1 2 SER N N 3.545 11.301 6.454 1.00 . A A . 2 SER N 1 1
1 33 1 1 2 SER O O 3.911 8.419 6.391 1.00 . A A . 2 SER O 1 1
1 34 1 1 2 SER OG O 4.996 10.511 9.734 1.00 . A A . 2 SER OG 1 1
1 35 1 1 3 ASP C C 5.787 6.492 5.923 1.00 . A A . 3 ASP C 1 1
1 36 1 1 3 ASP CA C 6.584 7.766 5.796 1.00 . A A . 3 ASP CA 1 1
1 37 1 1 3 ASP CB C 8.056 7.520 6.275 1.00 . A A . 3 ASP CB 1 1
1 38 1 1 3 ASP CG C 9.002 6.888 5.246 1.00 . A A . 3 ASP CG 1 1
1 39 1 1 3 ASP H H 6.741 9.738 6.738 1.00 . A A . 3 ASP H 1 1
1 40 1 1 3 ASP HA H 6.575 8.029 4.721 1.00 . A A . 3 ASP HA 1 1
1 41 1 1 3 ASP HB2 H 8.515 8.457 6.623 1.00 . A A . 3 ASP HB2 1 1
1 42 1 1 3 ASP HB3 H 8.039 6.862 7.161 1.00 . A A . 3 ASP HB3 1 1
1 43 1 1 3 ASP N N 6.069 8.958 6.480 1.00 . A A . 3 ASP N 1 1
1 44 1 1 3 ASP O O 5.504 5.791 4.917 1.00 . A A . 3 ASP O 1 1
1 45 1 1 3 ASP OD1 O 8.907 7.085 4.043 1.00 . A A . 3 ASP OD1 1 1
1 46 1 1 3 ASP OD2 O 9.937 6.070 5.816 1.00 . A A . 3 ASP OD2 1 1
1 47 1 1 4 GLU C C 3.457 4.609 6.751 1.00 . A A . 4 GLU C 1 1
1 48 1 1 4 GLU CA C 4.820 4.781 7.378 1.00 . A A . 4 GLU CA 1 1
1 49 1 1 4 GLU CB C 4.754 4.571 8.919 1.00 . A A . 4 GLU CB 1 1
1 50 1 1 4 GLU CD C 3.461 5.054 11.189 1.00 . A A . 4 GLU CD 1 1
1 51 1 1 4 GLU CG C 3.581 5.273 9.680 1.00 . A A . 4 GLU CG 1 1
1 52 1 1 4 GLU H H 5.479 6.819 7.872 1.00 . A A . 4 GLU H 1 1
1 53 1 1 4 GLU HA H 5.487 4.019 6.934 1.00 . A A . 4 GLU HA 1 1
1 54 1 1 4 GLU HB2 H 4.707 3.486 9.127 1.00 . A A . 4 GLU HB2 1 1
1 55 1 1 4 GLU HB3 H 5.715 4.894 9.362 1.00 . A A . 4 GLU HB3 1 1
1 56 1 1 4 GLU HG2 H 3.638 6.365 9.514 1.00 . A A . 4 GLU HG2 1 1
1 57 1 1 4 GLU HG3 H 2.612 4.983 9.232 1.00 . A A . 4 GLU HG3 1 1
1 58 1 1 4 GLU N N 5.401 6.100 7.120 1.00 . A A . 4 GLU N 1 1
1 59 1 1 4 GLU O O 3.127 3.561 6.186 1.00 . A A . 4 GLU O 1 1
1 60 1 1 4 GLU OE1 O 4.139 4.237 11.799 1.00 . A A . 4 GLU OE1 1 1
1 61 1 1 4 GLU OE2 O 2.534 5.851 11.790 1.00 . A A . 4 GLU OE2 1 1
1 62 1 1 5 LEU C C 1.176 5.325 4.913 1.00 . A A . 5 LEU C 1 1
1 63 1 1 5 LEU CA C 1.247 5.560 6.403 1.00 . A A . 5 LEU CA 1 1
1 64 1 1 5 LEU CB C 0.468 6.847 6.799 1.00 . A A . 5 LEU CB 1 1
1 65 1 1 5 LEU CD1 C -0.602 8.297 8.636 1.00 . A A . 5 LEU CD1 1 1
1 66 1 1 5 LEU CD2 C -1.522 6.015 8.125 1.00 . A A . 5 LEU CD2 1 1
1 67 1 1 5 LEU CG C -0.249 6.873 8.176 1.00 . A A . 5 LEU CG 1 1
1 68 1 1 5 LEU H H 3.056 6.513 7.231 1.00 . A A . 5 LEU H 1 1
1 69 1 1 5 LEU HA H 0.772 4.682 6.878 1.00 . A A . 5 LEU HA 1 1
1 70 1 1 5 LEU HB2 H 1.164 7.710 6.758 1.00 . A A . 5 LEU HB2 1 1
1 71 1 1 5 LEU HB3 H -0.283 7.059 6.013 1.00 . A A . 5 LEU HB3 1 1
1 72 1 1 5 LEU HD11 H 0.272 8.970 8.561 1.00 . A A . 5 LEU HD11 1 1
1 73 1 1 5 LEU HD12 H -1.392 8.750 8.009 1.00 . A A . 5 LEU HD12 1 1
1 74 1 1 5 LEU HD13 H -0.948 8.324 9.686 1.00 . A A . 5 LEU HD13 1 1
1 75 1 1 5 LEU HD21 H -1.315 4.993 7.756 1.00 . A A . 5 LEU HD21 1 1
1 76 1 1 5 LEU HD22 H -2.000 5.914 9.118 1.00 . A A . 5 LEU HD22 1 1
1 77 1 1 5 LEU HD23 H -2.277 6.449 7.443 1.00 . A A . 5 LEU HD23 1 1
1 78 1 1 5 LEU HG H 0.433 6.423 8.928 1.00 . A A . 5 LEU HG 1 1
1 79 1 1 5 LEU N N 2.633 5.635 6.856 1.00 . A A . 5 LEU N 1 1
1 80 1 1 5 LEU O O 0.257 4.682 4.396 1.00 . A A . 5 LEU O 1 1
1 81 1 1 6 ARG C C 2.495 4.264 2.364 1.00 . A A . 6 ARG C 1 1
1 82 1 1 6 ARG CA C 2.209 5.698 2.743 1.00 . A A . 6 ARG CA 1 1
1 83 1 1 6 ARG CB C 3.295 6.656 2.178 1.00 . A A . 6 ARG CB 1 1
1 84 1 1 6 ARG CD C 2.741 8.105 0.129 1.00 . A A . 6 ARG CD 1 1
1 85 1 1 6 ARG CG C 3.316 6.774 0.631 1.00 . A A . 6 ARG CG 1 1
1 86 1 1 6 ARG CZ C 3.232 8.548 -2.282 1.00 . A A . 6 ARG CZ 1 1
1 87 1 1 6 ARG H H 2.861 6.406 4.724 1.00 . A A . 6 ARG H 1 1
1 88 1 1 6 ARG HA H 1.225 5.968 2.321 1.00 . A A . 6 ARG HA 1 1
1 89 1 1 6 ARG HB2 H 3.176 7.658 2.640 1.00 . A A . 6 ARG HB2 1 1
1 90 1 1 6 ARG HB3 H 4.293 6.312 2.514 1.00 . A A . 6 ARG HB3 1 1
1 91 1 1 6 ARG HD2 H 1.798 8.343 0.661 1.00 . A A . 6 ARG HD2 1 1
1 92 1 1 6 ARG HD3 H 3.448 8.933 0.337 1.00 . A A . 6 ARG HD3 1 1
1 93 1 1 6 ARG HE H 1.691 7.421 -1.631 1.00 . A A . 6 ARG HE 1 1
1 94 1 1 6 ARG HG2 H 4.348 6.672 0.238 1.00 . A A . 6 ARG HG2 1 1
1 95 1 1 6 ARG HG3 H 2.750 5.935 0.177 1.00 . A A . 6 ARG HG3 1 1
1 96 1 1 6 ARG HH11 H 4.483 9.404 -1.068 1.00 . A A . 6 ARG HH11 1 1
1 97 1 1 6 ARG HH12 H 4.760 9.666 -2.874 1.00 . A A . 6 ARG HH12 1 1
1 98 1 1 6 ARG HH21 H 2.055 7.745 -3.566 1.00 . A A . 6 ARG HH21 1 1
1 99 1 1 6 ARG HH22 H 3.444 8.765 -4.237 1.00 . A A . 6 ARG HH22 1 1
1 100 1 1 6 ARG N N 2.147 5.857 4.193 1.00 . A A . 6 ARG N 1 1
1 101 1 1 6 ARG NE N 2.497 7.987 -1.331 1.00 . A A . 6 ARG NE 1 1
1 102 1 1 6 ARG NH1 N 4.276 9.291 -2.060 1.00 . A A . 6 ARG NH1 1 1
1 103 1 1 6 ARG NH2 N 2.884 8.339 -3.502 1.00 . A A . 6 ARG NH2 1 1
1 104 1 1 6 ARG O O 1.896 3.696 1.446 1.00 . A A . 6 ARG O 1 1
1 105 1 1 7 GLN C C 2.665 1.337 3.098 1.00 . A A . 7 GLN C 1 1
1 106 1 1 7 GLN CA C 3.819 2.272 2.826 1.00 . A A . 7 GLN CA 1 1
1 107 1 1 7 GLN CB C 5.029 1.929 3.723 1.00 . A A . 7 GLN CB 1 1
1 108 1 1 7 GLN CD C 7.136 1.261 2.221 1.00 . A A . 7 GLN CD 1 1
1 109 1 1 7 GLN CG C 6.440 2.272 3.140 1.00 . A A . 7 GLN CG 1 1
1 110 1 1 7 GLN H H 3.864 4.221 3.834 1.00 . A A . 7 GLN H 1 1
1 111 1 1 7 GLN HA H 4.100 2.162 1.762 1.00 . A A . 7 GLN HA 1 1
1 112 1 1 7 GLN HB2 H 4.914 2.451 4.694 1.00 . A A . 7 GLN HB2 1 1
1 113 1 1 7 GLN HB3 H 4.994 0.847 3.967 1.00 . A A . 7 GLN HB3 1 1
1 114 1 1 7 GLN HE21 H 7.120 -0.128 3.620 1.00 . A A . 7 GLN HE21 1 1
1 115 1 1 7 GLN HE22 H 7.891 -0.546 1.991 1.00 . A A . 7 GLN HE22 1 1
1 116 1 1 7 GLN HG2 H 6.404 3.238 2.602 1.00 . A A . 7 GLN HG2 1 1
1 117 1 1 7 GLN HG3 H 7.163 2.442 3.959 1.00 . A A . 7 GLN HG3 1 1
1 118 1 1 7 GLN N N 3.440 3.662 3.062 1.00 . A A . 7 GLN N 1 1
1 119 1 1 7 GLN NE2 N 7.418 0.062 2.662 1.00 . A A . 7 GLN NE2 1 1
1 120 1 1 7 GLN O O 2.560 0.245 2.529 1.00 . A A . 7 GLN O 1 1
1 121 1 1 7 GLN OE1 O 7.458 1.561 1.082 1.00 . A A . 7 GLN OE1 1 1
1 122 1 1 8 ARG C C -0.354 0.916 3.133 1.00 . A A . 8 ARG C 1 1
1 123 1 1 8 ARG CA C 0.584 0.974 4.314 1.00 . A A . 8 ARG CA 1 1
1 124 1 1 8 ARG CB C -0.104 1.627 5.547 1.00 . A A . 8 ARG CB 1 1
1 125 1 1 8 ARG CD C -2.591 1.059 5.261 1.00 . A A . 8 ARG CD 1 1
1 126 1 1 8 ARG CG C -1.327 0.856 6.106 1.00 . A A . 8 ARG CG 1 1
1 127 1 1 8 ARG CZ C -4.082 2.459 6.699 1.00 . A A . 8 ARG CZ 1 1
1 128 1 1 8 ARG H H 1.960 2.681 4.423 1.00 . A A . 8 ARG H 1 1
1 129 1 1 8 ARG HA H 0.887 -0.062 4.556 1.00 . A A . 8 ARG HA 1 1
1 130 1 1 8 ARG HB2 H 0.649 1.772 6.350 1.00 . A A . 8 ARG HB2 1 1
1 131 1 1 8 ARG HB3 H -0.421 2.658 5.281 1.00 . A A . 8 ARG HB3 1 1
1 132 1 1 8 ARG HD2 H -2.334 1.096 4.183 1.00 . A A . 8 ARG HD2 1 1
1 133 1 1 8 ARG HD3 H -3.287 0.206 5.399 1.00 . A A . 8 ARG HD3 1 1
1 134 1 1 8 ARG HE H -3.012 3.174 5.145 1.00 . A A . 8 ARG HE 1 1
1 135 1 1 8 ARG HG2 H -1.119 -0.232 6.165 1.00 . A A . 8 ARG HG2 1 1
1 136 1 1 8 ARG HG3 H -1.529 1.167 7.152 1.00 . A A . 8 ARG HG3 1 1
1 137 1 1 8 ARG HH11 H -4.043 0.588 7.218 1.00 . A A . 8 ARG HH11 1 1
1 138 1 1 8 ARG HH12 H -5.116 1.710 8.216 1.00 . A A . 8 ARG HH12 1 1
1 139 1 1 8 ARG HH21 H -4.192 4.326 6.270 1.00 . A A . 8 ARG HH21 1 1
1 140 1 1 8 ARG HH22 H -5.201 3.743 7.707 1.00 . A A . 8 ARG HH22 1 1
1 141 1 1 8 ARG N N 1.783 1.744 3.991 1.00 . A A . 8 ARG N 1 1
1 142 1 1 8 ARG NE N -3.238 2.327 5.684 1.00 . A A . 8 ARG NE 1 1
1 143 1 1 8 ARG NH1 N -4.463 1.483 7.469 1.00 . A A . 8 ARG NH1 1 1
1 144 1 1 8 ARG NH2 N -4.552 3.634 6.930 1.00 . A A . 8 ARG NH2 1 1
1 145 1 1 8 ARG O O -0.957 -0.114 2.819 1.00 . A A . 8 ARG O 1 1
1 146 1 1 9 LEU C C -0.734 1.259 0.157 1.00 . A A . 9 LEU C 1 1
1 147 1 1 9 LEU CA C -1.310 2.128 1.249 1.00 . A A . 9 LEU CA 1 1
1 148 1 1 9 LEU CB C -1.436 3.605 0.777 1.00 . A A . 9 LEU CB 1 1
1 149 1 1 9 LEU CD1 C -2.306 6.007 1.089 1.00 . A A . 9 LEU CD1 1 1
1 150 1 1 9 LEU CD2 C -3.824 4.046 1.491 1.00 . A A . 9 LEU CD2 1 1
1 151 1 1 9 LEU CG C -2.376 4.549 1.574 1.00 . A A . 9 LEU CG 1 1
1 152 1 1 9 LEU H H 0.038 2.865 2.822 1.00 . A A . 9 LEU H 1 1
1 153 1 1 9 LEU HA H -2.315 1.724 1.470 1.00 . A A . 9 LEU HA 1 1
1 154 1 1 9 LEU HB2 H -0.425 4.060 0.761 1.00 . A A . 9 LEU HB2 1 1
1 155 1 1 9 LEU HB3 H -1.759 3.608 -0.282 1.00 . A A . 9 LEU HB3 1 1
1 156 1 1 9 LEU HD11 H -1.258 6.355 1.017 1.00 . A A . 9 LEU HD11 1 1
1 157 1 1 9 LEU HD12 H -2.738 6.127 0.078 1.00 . A A . 9 LEU HD12 1 1
1 158 1 1 9 LEU HD13 H -2.837 6.701 1.766 1.00 . A A . 9 LEU HD13 1 1
1 159 1 1 9 LEU HD21 H -3.909 2.985 1.793 1.00 . A A . 9 LEU HD21 1 1
1 160 1 1 9 LEU HD22 H -4.508 4.625 2.141 1.00 . A A . 9 LEU HD22 1 1
1 161 1 1 9 LEU HD23 H -4.220 4.112 0.460 1.00 . A A . 9 LEU HD23 1 1
1 162 1 1 9 LEU HG H -2.067 4.523 2.640 1.00 . A A . 9 LEU HG 1 1
1 163 1 1 9 LEU N N -0.503 2.046 2.463 1.00 . A A . 9 LEU N 1 1
1 164 1 1 9 LEU O O -1.446 0.737 -0.707 1.00 . A A . 9 LEU O 1 1
1 165 1 1 10 ALA C C 0.936 -1.231 -0.540 1.00 . A A . 10 ALA C 1 1
1 166 1 1 10 ALA CA C 1.265 0.225 -0.774 1.00 . A A . 10 ALA CA 1 1
1 167 1 1 10 ALA CB C 2.773 0.515 -0.666 1.00 . A A . 10 ALA CB 1 1
1 168 1 1 10 ALA H H 1.094 1.618 0.915 1.00 . A A . 10 ALA H 1 1
1 169 1 1 10 ALA HA H 0.913 0.487 -1.789 1.00 . A A . 10 ALA HA 1 1
1 170 1 1 10 ALA HB1 H 3.002 1.578 -0.878 1.00 . A A . 10 ALA HB1 1 1
1 171 1 1 10 ALA HB2 H 3.170 0.296 0.344 1.00 . A A . 10 ALA HB2 1 1
1 172 1 1 10 ALA HB3 H 3.362 -0.083 -1.385 1.00 . A A . 10 ALA HB3 1 1
1 173 1 1 10 ALA N N 0.574 1.084 0.185 1.00 . A A . 10 ALA N 1 1
1 174 1 1 10 ALA O O 0.932 -2.054 -1.461 1.00 . A A . 10 ALA O 1 1
1 175 1 1 11 ALA C C -0.965 -3.397 0.562 1.00 . A A . 11 ALA C 1 1
1 176 1 1 11 ALA CA C 0.381 -2.956 1.087 1.00 . A A . 11 ALA CA 1 1
1 177 1 1 11 ALA CB C 0.478 -3.053 2.621 1.00 . A A . 11 ALA CB 1 1
1 178 1 1 11 ALA H H 0.724 -0.812 1.416 1.00 . A A . 11 ALA H 1 1
1 179 1 1 11 ALA HA H 1.146 -3.610 0.630 1.00 . A A . 11 ALA HA 1 1
1 180 1 1 11 ALA HB1 H 1.482 -2.764 2.987 1.00 . A A . 11 ALA HB1 1 1
1 181 1 1 11 ALA HB2 H -0.253 -2.394 3.128 1.00 . A A . 11 ALA HB2 1 1
1 182 1 1 11 ALA HB3 H 0.294 -4.082 2.982 1.00 . A A . 11 ALA HB3 1 1
1 183 1 1 11 ALA N N 0.673 -1.576 0.706 1.00 . A A . 11 ALA N 1 1
1 184 1 1 11 ALA O O -1.204 -4.579 0.290 1.00 . A A . 11 ALA O 1 1
1 185 1 1 12 ARG C C -3.046 -2.957 -1.669 1.00 . A A . 12 ARG C 1 1
1 186 1 1 12 ARG CA C -3.180 -2.719 -0.181 1.00 . A A . 12 ARG CA 1 1
1 187 1 1 12 ARG CB C -4.120 -1.518 0.111 1.00 . A A . 12 ARG CB 1 1
1 188 1 1 12 ARG CD C -6.490 -2.407 0.550 1.00 . A A . 12 ARG CD 1 1
1 189 1 1 12 ARG CG C -5.566 -1.669 -0.426 1.00 . A A . 12 ARG CG 1 1
1 190 1 1 12 ARG CZ C -8.330 -0.718 0.716 1.00 . A A . 12 ARG CZ 1 1
1 191 1 1 12 ARG H H -1.586 -1.486 0.693 1.00 . A A . 12 ARG H 1 1
1 192 1 1 12 ARG HA H -3.588 -3.639 0.273 1.00 . A A . 12 ARG HA 1 1
1 193 1 1 12 ARG HB2 H -4.130 -1.315 1.201 1.00 . A A . 12 ARG HB2 1 1
1 194 1 1 12 ARG HB3 H -3.686 -0.594 -0.333 1.00 . A A . 12 ARG HB3 1 1
1 195 1 1 12 ARG HD2 H -6.447 -3.501 0.370 1.00 . A A . 12 ARG HD2 1 1
1 196 1 1 12 ARG HD3 H -6.175 -2.238 1.599 1.00 . A A . 12 ARG HD3 1 1
1 197 1 1 12 ARG HE H -8.535 -2.542 -0.127 1.00 . A A . 12 ARG HE 1 1
1 198 1 1 12 ARG HG2 H -5.995 -0.670 -0.654 1.00 . A A . 12 ARG HG2 1 1
1 199 1 1 12 ARG HG3 H -5.577 -2.213 -1.394 1.00 . A A . 12 ARG HG3 1 1
1 200 1 1 12 ARG HH11 H -6.697 -0.168 1.613 1.00 . A A . 12 ARG HH11 1 1
1 201 1 1 12 ARG HH12 H -8.110 1.019 1.646 1.00 . A A . 12 ARG HH12 1 1
1 202 1 1 12 ARG HH21 H -9.972 -1.147 -0.179 1.00 . A A . 12 ARG HH21 1 1
1 203 1 1 12 ARG HH22 H -9.892 0.495 0.668 1.00 . A A . 12 ARG HH22 1 1
1 204 1 1 12 ARG N N -1.873 -2.451 0.415 1.00 . A A . 12 ARG N 1 1
1 205 1 1 12 ARG NE N -7.875 -1.907 0.344 1.00 . A A . 12 ARG NE 1 1
1 206 1 1 12 ARG NH1 N -7.644 0.148 1.400 1.00 . A A . 12 ARG NH1 1 1
1 207 1 1 12 ARG NH2 N -9.530 -0.409 0.372 1.00 . A A . 12 ARG NH2 1 1
1 208 1 1 12 ARG O O -3.540 -3.938 -2.231 1.00 . A A . 12 ARG O 1 1
1 209 1 1 13 LEU C C -1.464 -3.522 -4.054 1.00 . A A . 13 LEU C 1 1
1 210 1 1 13 LEU CA C -2.061 -2.168 -3.751 1.00 . A A . 13 LEU CA 1 1
1 211 1 1 13 LEU CB C -1.101 -1.030 -4.205 1.00 . A A . 13 LEU CB 1 1
1 212 1 1 13 LEU CD1 C -1.119 -1.292 -6.723 1.00 . A A . 13 LEU CD1 1 1
1 213 1 1 13 LEU CD2 C 0.882 -0.228 -5.638 1.00 . A A . 13 LEU CD2 1 1
1 214 1 1 13 LEU CG C -0.233 -1.273 -5.469 1.00 . A A . 13 LEU CG 1 1
1 215 1 1 13 LEU H H -2.042 -1.215 -1.765 1.00 . A A . 13 LEU H 1 1
1 216 1 1 13 LEU HA H -3.003 -2.110 -4.325 1.00 . A A . 13 LEU HA 1 1
1 217 1 1 13 LEU HB2 H -1.695 -0.109 -4.368 1.00 . A A . 13 LEU HB2 1 1
1 218 1 1 13 LEU HB3 H -0.426 -0.783 -3.363 1.00 . A A . 13 LEU HB3 1 1
1 219 1 1 13 LEU HD11 H -1.909 -2.063 -6.657 1.00 . A A . 13 LEU HD11 1 1
1 220 1 1 13 LEU HD12 H -1.623 -0.322 -6.895 1.00 . A A . 13 LEU HD12 1 1
1 221 1 1 13 LEU HD13 H -0.532 -1.519 -7.633 1.00 . A A . 13 LEU HD13 1 1
1 222 1 1 13 LEU HD21 H 0.487 0.805 -5.664 1.00 . A A . 13 LEU HD21 1 1
1 223 1 1 13 LEU HD22 H 1.610 -0.281 -4.807 1.00 . A A . 13 LEU HD22 1 1
1 224 1 1 13 LEU HD23 H 1.463 -0.389 -6.564 1.00 . A A . 13 LEU HD23 1 1
1 225 1 1 13 LEU HG H 0.240 -2.274 -5.373 1.00 . A A . 13 LEU HG 1 1
1 226 1 1 13 LEU N N -2.376 -2.031 -2.332 1.00 . A A . 13 LEU N 1 1
1 227 1 1 13 LEU O O -1.674 -4.104 -5.123 1.00 . A A . 13 LEU O 1 1
1 228 1 1 14 GLU C C -0.899 -6.452 -3.444 1.00 . A A . 14 GLU C 1 1
1 229 1 1 14 GLU CA C 0.048 -5.283 -3.312 1.00 . A A . 14 GLU CA 1 1
1 230 1 1 14 GLU CB C 1.016 -5.480 -2.108 1.00 . A A . 14 GLU CB 1 1
1 231 1 1 14 GLU CD C 2.999 -6.863 -1.007 1.00 . A A . 14 GLU CD 1 1
1 232 1 1 14 GLU CG C 2.052 -6.647 -2.191 1.00 . A A . 14 GLU CG 1 1
1 233 1 1 14 GLU H H -0.659 -3.520 -2.213 1.00 . A A . 14 GLU H 1 1
1 234 1 1 14 GLU HA H 0.637 -5.203 -4.242 1.00 . A A . 14 GLU HA 1 1
1 235 1 1 14 GLU HB2 H 1.553 -4.527 -1.932 1.00 . A A . 14 GLU HB2 1 1
1 236 1 1 14 GLU HB3 H 0.403 -5.615 -1.197 1.00 . A A . 14 GLU HB3 1 1
1 237 1 1 14 GLU HG2 H 1.532 -7.608 -2.362 1.00 . A A . 14 GLU HG2 1 1
1 238 1 1 14 GLU HG3 H 2.688 -6.520 -3.087 1.00 . A A . 14 GLU HG3 1 1
1 239 1 1 14 GLU N N -0.688 -4.037 -3.119 1.00 . A A . 14 GLU N 1 1
1 240 1 1 14 GLU O O -0.722 -7.357 -4.264 1.00 . A A . 14 GLU O 1 1
1 241 1 1 14 GLU OE1 O 4.052 -6.254 -0.877 1.00 . A A . 14 GLU OE1 1 1
1 242 1 1 14 GLU OE2 O 2.558 -7.794 -0.116 1.00 . A A . 14 GLU OE2 1 1
1 243 1 1 15 ALA C C -3.679 -7.600 -3.869 1.00 . A A . 15 ALA C 1 1
1 244 1 1 15 ALA CA C -2.897 -7.542 -2.578 1.00 . A A . 15 ALA CA 1 1
1 245 1 1 15 ALA CB C -3.798 -7.335 -1.347 1.00 . A A . 15 ALA CB 1 1
1 246 1 1 15 ALA H H -2.001 -5.628 -1.976 1.00 . A A . 15 ALA H 1 1
1 247 1 1 15 ALA HA H -2.348 -8.496 -2.473 1.00 . A A . 15 ALA HA 1 1
1 248 1 1 15 ALA HB1 H -3.214 -7.334 -0.407 1.00 . A A . 15 ALA HB1 1 1
1 249 1 1 15 ALA HB2 H -4.347 -6.374 -1.388 1.00 . A A . 15 ALA HB2 1 1
1 250 1 1 15 ALA HB3 H -4.553 -8.137 -1.249 1.00 . A A . 15 ALA HB3 1 1
1 251 1 1 15 ALA N N -1.923 -6.454 -2.609 1.00 . A A . 15 ALA N 1 1
1 252 1 1 15 ALA O O -4.064 -8.667 -4.358 1.00 . A A . 15 ALA O 1 1
1 253 1 1 16 LEU C C -4.036 -6.727 -6.878 1.00 . A A . 16 LEU C 1 1
1 254 1 1 16 LEU CA C -4.778 -6.321 -5.627 1.00 . A A . 16 LEU CA 1 1
1 255 1 1 16 LEU CB C -5.329 -4.871 -5.760 1.00 . A A . 16 LEU CB 1 1
1 256 1 1 16 LEU CD1 C -7.087 -3.083 -5.185 1.00 . A A . 16 LEU CD1 1 1
1 257 1 1 16 LEU CD2 C -7.511 -5.499 -4.641 1.00 . A A . 16 LEU CD2 1 1
1 258 1 1 16 LEU CG C -6.434 -4.413 -4.771 1.00 . A A . 16 LEU CG 1 1
1 259 1 1 16 LEU H H -3.549 -5.594 -3.955 1.00 . A A . 16 LEU H 1 1
1 260 1 1 16 LEU HA H -5.622 -7.029 -5.526 1.00 . A A . 16 LEU HA 1 1
1 261 1 1 16 LEU HB2 H -4.480 -4.162 -5.681 1.00 . A A . 16 LEU HB2 1 1
1 262 1 1 16 LEU HB3 H -5.708 -4.734 -6.792 1.00 . A A . 16 LEU HB3 1 1
1 263 1 1 16 LEU HD11 H -6.324 -2.315 -5.410 1.00 . A A . 16 LEU HD11 1 1
1 264 1 1 16 LEU HD12 H -7.694 -3.188 -6.103 1.00 . A A . 16 LEU HD12 1 1
1 265 1 1 16 LEU HD13 H -7.742 -2.674 -4.394 1.00 . A A . 16 LEU HD13 1 1
1 266 1 1 16 LEU HD21 H -7.074 -6.483 -4.386 1.00 . A A . 16 LEU HD21 1 1
1 267 1 1 16 LEU HD22 H -8.256 -5.260 -3.859 1.00 . A A . 16 LEU HD22 1 1
1 268 1 1 16 LEU HD23 H -8.066 -5.638 -5.588 1.00 . A A . 16 LEU HD23 1 1
1 269 1 1 16 LEU HG H -5.968 -4.274 -3.773 1.00 . A A . 16 LEU HG 1 1
1 270 1 1 16 LEU N N -3.939 -6.437 -4.437 1.00 . A A . 16 LEU N 1 1
1 271 1 1 16 LEU O O -4.621 -7.230 -7.847 1.00 . A A . 16 LEU O 1 1
1 272 1 1 17 LYS C C -1.496 -8.176 -8.239 1.00 . A A . 17 LYS C 1 1
1 273 1 1 17 LYS CA C -1.916 -6.732 -8.080 1.00 . A A . 17 LYS CA 1 1
1 274 1 1 17 LYS CB C -0.666 -5.807 -8.014 1.00 . A A . 17 LYS CB 1 1
1 275 1 1 17 LYS CD C 1.700 -6.826 -7.687 1.00 . A A . 17 LYS CD 1 1
1 276 1 1 17 LYS CE C 1.794 -8.345 -7.494 1.00 . A A . 17 LYS CE 1 1
1 277 1 1 17 LYS CG C 0.416 -6.312 -7.028 1.00 . A A . 17 LYS CG 1 1
1 278 1 1 17 LYS H H -2.330 -6.105 -6.017 1.00 . A A . 17 LYS H 1 1
1 279 1 1 17 LYS HA H -2.524 -6.470 -8.966 1.00 . A A . 17 LYS HA 1 1
1 280 1 1 17 LYS HB2 H -0.223 -5.710 -9.025 1.00 . A A . 17 LYS HB2 1 1
1 281 1 1 17 LYS HB3 H -0.980 -4.779 -7.738 1.00 . A A . 17 LYS HB3 1 1
1 282 1 1 17 LYS HD2 H 1.705 -6.552 -8.760 1.00 . A A . 17 LYS HD2 1 1
1 283 1 1 17 LYS HD3 H 2.580 -6.326 -7.233 1.00 . A A . 17 LYS HD3 1 1
1 284 1 1 17 LYS HE2 H 2.341 -8.585 -6.558 1.00 . A A . 17 LYS HE2 1 1
1 285 1 1 17 LYS HE3 H 0.787 -8.798 -7.380 1.00 . A A . 17 LYS HE3 1 1
1 286 1 1 17 LYS HG2 H 0.658 -5.513 -6.300 1.00 . A A . 17 LYS HG2 1 1
1 287 1 1 17 LYS HG3 H 0.020 -7.150 -6.424 1.00 . A A . 17 LYS HG3 1 1
1 288 1 1 17 LYS HZ1 H 3.071 -8.236 -9.108 1.00 . A A . 17 LYS HZ1 1 1
1 289 1 1 17 LYS HZ2 H 3.059 -9.733 -8.343 1.00 . A A . 17 LYS HZ2 1 1
1 290 1 1 17 LYS HZ3 H 1.773 -9.283 -9.329 1.00 . A A . 17 LYS HZ3 1 1
1 291 1 1 17 LYS N N -2.736 -6.503 -6.892 1.00 . A A . 17 LYS N 1 1
1 292 1 1 17 LYS NZ N 2.475 -8.944 -8.656 1.00 . A A . 17 LYS NZ 1 1
1 293 1 1 17 LYS O O -0.916 -8.560 -9.267 1.00 . A A . 17 LYS O 1 1
1 294 1 1 18 GLU C C -1.947 -11.018 -8.635 1.00 . A A . 18 GLU C 1 1
1 295 1 1 18 GLU CA C -1.492 -10.435 -7.318 1.00 . A A . 18 GLU CA 1 1
1 296 1 1 18 GLU CB C -2.212 -11.118 -6.118 1.00 . A A . 18 GLU CB 1 1
1 297 1 1 18 GLU CD C -2.558 -13.374 -4.755 1.00 . A A . 18 GLU CD 1 1
1 298 1 1 18 GLU CG C -2.224 -12.681 -6.078 1.00 . A A . 18 GLU CG 1 1
1 299 1 1 18 GLU H H -2.073 -8.549 -6.352 1.00 . A A . 18 GLU H 1 1
1 300 1 1 18 GLU HA H -0.403 -10.605 -7.238 1.00 . A A . 18 GLU HA 1 1
1 301 1 1 18 GLU HB2 H -1.759 -10.741 -5.179 1.00 . A A . 18 GLU HB2 1 1
1 302 1 1 18 GLU HB3 H -3.256 -10.743 -6.079 1.00 . A A . 18 GLU HB3 1 1
1 303 1 1 18 GLU HG2 H -2.938 -13.068 -6.829 1.00 . A A . 18 GLU HG2 1 1
1 304 1 1 18 GLU HG3 H -1.245 -13.078 -6.407 1.00 . A A . 18 GLU HG3 1 1
1 305 1 1 18 GLU N N -1.745 -8.997 -7.238 1.00 . A A . 18 GLU N 1 1
1 306 1 1 18 GLU O O -1.149 -11.229 -9.559 1.00 . A A . 18 GLU O 1 1
1 307 1 1 18 GLU OE1 O -3.383 -12.650 -3.949 1.00 . A A . 18 GLU OE1 1 1
1 308 1 1 18 GLU OE2 O -2.124 -14.478 -4.454 1.00 . A A . 18 GLU OE2 1 1
1 309 1 1 19 ASN C C -3.532 -10.890 -11.140 1.00 . A A . 19 ASN C 1 1
1 310 1 1 19 ASN CA C -3.796 -11.830 -9.988 1.00 . A A . 19 ASN CA 1 1
1 311 1 1 19 ASN CB C -5.325 -12.065 -9.810 1.00 . A A . 19 ASN CB 1 1
1 312 1 1 19 ASN CG C -5.783 -13.511 -9.593 1.00 . A A . 19 ASN CG 1 1
1 313 1 1 19 ASN H H -3.802 -11.186 -7.883 1.00 . A A . 19 ASN H 1 1
1 314 1 1 19 ASN HA H -3.295 -12.787 -10.225 1.00 . A A . 19 ASN HA 1 1
1 315 1 1 19 ASN HB2 H -5.689 -11.482 -8.942 1.00 . A A . 19 ASN HB2 1 1
1 316 1 1 19 ASN HB3 H -5.881 -11.651 -10.671 1.00 . A A . 19 ASN HB3 1 1
1 317 1 1 19 ASN HD21 H -4.571 -14.173 -11.026 1.00 . A A . 19 ASN HD21 1 1
1 318 1 1 19 ASN HD22 H -5.663 -15.372 -10.141 1.00 . A A . 19 ASN HD22 1 1
1 319 1 1 19 ASN N N -3.230 -11.307 -8.747 1.00 . A A . 19 ASN N 1 1
1 320 1 1 19 ASN ND2 N -5.230 -14.458 -10.302 1.00 . A A . 19 ASN ND2 1 1
1 321 1 1 19 ASN O O -2.676 -11.131 -11.998 1.00 . A A . 19 ASN O 1 1
1 322 1 1 19 ASN OD1 O -6.647 -13.808 -8.781 1.00 . A A . 19 ASN OD1 1 1
1 323 1 1 20 GLY C C -3.940 -7.443 -11.772 1.00 . A A . 20 GLY C 1 1
1 324 1 1 20 GLY CA C -4.186 -8.843 -12.280 1.00 . A A . 20 GLY CA 1 1
1 325 1 1 20 GLY H H -4.892 -9.636 -10.354 1.00 . A A . 20 GLY H 1 1
1 326 1 1 20 GLY HA2 H -3.371 -9.128 -12.970 1.00 . A A . 20 GLY HA2 1 1
1 327 1 1 20 GLY HA3 H -5.123 -8.858 -12.867 1.00 . A A . 20 GLY HA3 1 1
1 328 1 1 20 GLY N N -4.268 -9.795 -11.176 1.00 . A A . 20 GLY N 1 1
1 329 1 1 20 GLY O O -2.799 -6.891 -11.845 1.00 . A A . 20 GLY O 1 1
1 330 1 1 20 GLY OXT O -4.943 -6.850 -11.266 1.00 . A A . 20 GLY OXT 1 1
2 331 1 1 1 TYR C C 2.923 11.078 6.168 1.00 . A A . 1 TYR C 1 1
2 332 1 1 1 TYR CA C 2.795 12.071 5.033 1.00 . A A . 1 TYR CA 1 1
2 333 1 1 1 TYR CB C 2.370 11.281 3.761 1.00 . A A . 1 TYR CB 1 1
2 334 1 1 1 TYR CD1 C 4.365 10.718 2.272 1.00 . A A . 1 TYR CD1 1 1
2 335 1 1 1 TYR CD2 C 2.871 12.486 1.574 1.00 . A A . 1 TYR CD2 1 1
2 336 1 1 1 TYR CE1 C 5.153 10.946 1.146 1.00 . A A . 1 TYR CE1 1 1
2 337 1 1 1 TYR CE2 C 3.664 12.710 0.451 1.00 . A A . 1 TYR CE2 1 1
2 338 1 1 1 TYR CG C 3.230 11.499 2.495 1.00 . A A . 1 TYR CG 1 1
2 339 1 1 1 TYR CZ C 4.806 11.943 0.239 1.00 . A A . 1 TYR CZ 1 1
2 340 1 1 1 TYR H1 H 4.827 12.111 4.761 1.00 . A A . 1 TYR H1 1 1
2 341 1 1 1 TYR H2 H 3.990 13.284 3.891 1.00 . A A . 1 TYR H2 1 1
2 342 1 1 1 TYR H3 H 4.211 13.464 5.548 1.00 . A A . 1 TYR H3 1 1
2 343 1 1 1 TYR HA H 2.038 12.826 5.354 1.00 . A A . 1 TYR HA 1 1
2 344 1 1 1 TYR HB2 H 2.402 10.174 3.992 1.00 . A A . 1 TYR HB2 1 1
2 345 1 1 1 TYR HB3 H 1.316 11.413 3.441 1.00 . A A . 1 TYR HB3 1 1
2 346 1 1 1 TYR HD1 H 4.651 9.950 2.975 1.00 . A A . 1 TYR HD1 1 1
2 347 1 1 1 TYR HD2 H 1.989 13.089 1.733 1.00 . A A . 1 TYR HD2 1 1
2 348 1 1 1 TYR HE1 H 6.037 10.348 0.974 1.00 . A A . 1 TYR HE1 1 1
2 349 1 1 1 TYR HE2 H 3.381 13.481 -0.252 1.00 . A A . 1 TYR HE2 1 1
2 350 1 1 1 TYR HH H 5.871 13.075 -0.857 1.00 . A A . 1 TYR HH 1 1
2 351 1 1 1 TYR N N 4.050 12.786 4.790 1.00 . A A . 1 TYR N 1 1
2 352 1 1 1 TYR O O 2.146 10.118 6.272 1.00 . A A . 1 TYR O 1 1
2 353 1 1 1 TYR OH O 5.587 12.158 -0.864 1.00 . A A . 1 TYR OH 1 1
2 354 1 1 2 SER C C 4.668 9.109 7.885 1.00 . A A . 2 SER C 1 1
2 355 1 1 2 SER CA C 4.057 10.451 8.229 1.00 . A A . 2 SER CA 1 1
2 356 1 1 2 SER CB C 2.715 10.281 8.986 1.00 . A A . 2 SER CB 1 1
2 357 1 1 2 SER H H 4.482 12.130 6.871 1.00 . A A . 2 SER H 1 1
2 358 1 1 2 SER HA H 4.774 10.953 8.907 1.00 . A A . 2 SER HA 1 1
2 359 1 1 2 SER HB2 H 2.033 11.130 8.787 1.00 . A A . 2 SER HB2 1 1
2 360 1 1 2 SER HB3 H 2.181 9.389 8.605 1.00 . A A . 2 SER HB3 1 1
2 361 1 1 2 SER HG H 2.018 10.107 10.799 1.00 . A A . 2 SER HG 1 1
2 362 1 1 2 SER N N 3.883 11.290 7.047 1.00 . A A . 2 SER N 1 1
2 363 1 1 2 SER O O 4.350 8.087 8.498 1.00 . A A . 2 SER O 1 1
2 364 1 1 2 SER OG O 2.892 10.131 10.400 1.00 . A A . 2 SER OG 1 1
2 365 1 1 3 ASP C C 5.585 6.642 6.330 1.00 . A A . 3 ASP C 1 1
2 366 1 1 3 ASP CA C 6.362 7.925 6.554 1.00 . A A . 3 ASP CA 1 1
2 367 1 1 3 ASP CB C 7.461 7.718 7.639 1.00 . A A . 3 ASP CB 1 1
2 368 1 1 3 ASP CG C 7.134 8.181 9.064 1.00 . A A . 3 ASP CG 1 1
2 369 1 1 3 ASP H H 5.685 10.022 6.419 1.00 . A A . 3 ASP H 1 1
2 370 1 1 3 ASP HA H 6.832 8.159 5.579 1.00 . A A . 3 ASP HA 1 1
2 371 1 1 3 ASP HB2 H 7.763 6.656 7.696 1.00 . A A . 3 ASP HB2 1 1
2 372 1 1 3 ASP HB3 H 8.385 8.248 7.324 1.00 . A A . 3 ASP HB3 1 1
2 373 1 1 3 ASP N N 5.553 9.090 6.908 1.00 . A A . 3 ASP N 1 1
2 374 1 1 3 ASP O O 5.175 6.316 5.212 1.00 . A A . 3 ASP O 1 1
2 375 1 1 3 ASP OD1 O 7.283 9.530 9.232 1.00 . A A . 3 ASP OD1 1 1
2 376 1 1 3 ASP OD2 O 6.797 7.415 9.955 1.00 . A A . 3 ASP OD2 1 1
2 377 1 1 4 GLU C C 3.438 4.563 6.707 1.00 . A A . 4 GLU C 1 1
2 378 1 1 4 GLU CA C 4.822 4.537 7.311 1.00 . A A . 4 GLU CA 1 1
2 379 1 1 4 GLU CB C 4.768 3.933 8.748 1.00 . A A . 4 GLU CB 1 1
2 380 1 1 4 GLU CD C 3.497 3.890 11.092 1.00 . A A . 4 GLU CD 1 1
2 381 1 1 4 GLU CG C 3.641 4.479 9.688 1.00 . A A . 4 GLU CG 1 1
2 382 1 1 4 GLU H H 5.634 6.316 8.305 1.00 . A A . 4 GLU H 1 1
2 383 1 1 4 GLU HA H 5.463 3.907 6.669 1.00 . A A . 4 GLU HA 1 1
2 384 1 1 4 GLU HB2 H 4.660 2.839 8.669 1.00 . A A . 4 GLU HB2 1 1
2 385 1 1 4 GLU HB3 H 5.747 4.085 9.232 1.00 . A A . 4 GLU HB3 1 1
2 386 1 1 4 GLU HG2 H 3.767 5.574 9.808 1.00 . A A . 4 GLU HG2 1 1
2 387 1 1 4 GLU HG3 H 2.656 4.378 9.192 1.00 . A A . 4 GLU HG3 1 1
2 388 1 1 4 GLU N N 5.407 5.873 7.387 1.00 . A A . 4 GLU N 1 1
2 389 1 1 4 GLU O O 2.983 3.600 6.084 1.00 . A A . 4 GLU O 1 1
2 390 1 1 4 GLU OE1 O 4.439 3.429 11.723 1.00 . A A . 4 GLU OE1 1 1
2 391 1 1 4 GLU OE2 O 2.223 3.929 11.575 1.00 . A A . 4 GLU OE2 1 1
2 392 1 1 5 LEU C C 1.212 5.587 5.007 1.00 . A A . 5 LEU C 1 1
2 393 1 1 5 LEU CA C 1.343 5.778 6.500 1.00 . A A . 5 LEU CA 1 1
2 394 1 1 5 LEU CB C 0.748 7.146 6.938 1.00 . A A . 5 LEU CB 1 1
2 395 1 1 5 LEU CD1 C -0.145 8.745 8.684 1.00 . A A . 5 LEU CD1 1 1
2 396 1 1 5 LEU CD2 C -1.146 6.445 8.532 1.00 . A A . 5 LEU CD2 1 1
2 397 1 1 5 LEU CG C 0.140 7.271 8.361 1.00 . A A . 5 LEU CG 1 1
2 398 1 1 5 LEU H H 3.273 6.462 7.327 1.00 . A A . 5 LEU H 1 1
2 399 1 1 5 LEU HA H 0.771 4.955 6.967 1.00 . A A . 5 LEU HA 1 1
2 400 1 1 5 LEU HB2 H 1.535 7.924 6.831 1.00 . A A . 5 LEU HB2 1 1
2 401 1 1 5 LEU HB3 H -0.029 7.442 6.202 1.00 . A A . 5 LEU HB3 1 1
2 402 1 1 5 LEU HD11 H 0.768 9.366 8.613 1.00 . A A . 5 LEU HD11 1 1
2 403 1 1 5 LEU HD12 H -0.895 9.187 8.001 1.00 . A A . 5 LEU HD12 1 1
2 404 1 1 5 LEU HD13 H -0.530 8.868 9.714 1.00 . A A . 5 LEU HD13 1 1
2 405 1 1 5 LEU HD21 H -1.915 6.707 7.783 1.00 . A A . 5 LEU HD21 1 1
2 406 1 1 5 LEU HD22 H -0.943 5.363 8.430 1.00 . A A . 5 LEU HD22 1 1
2 407 1 1 5 LEU HD23 H -1.592 6.579 9.534 1.00 . A A . 5 LEU HD23 1 1
2 408 1 1 5 LEU HG H 0.890 6.902 9.091 1.00 . A A . 5 LEU HG 1 1
2 409 1 1 5 LEU N N 2.740 5.665 6.913 1.00 . A A . 5 LEU N 1 1
2 410 1 1 5 LEU O O 0.233 5.035 4.496 1.00 . A A . 5 LEU O 1 1
2 411 1 1 6 ARG C C 2.483 4.381 2.506 1.00 . A A . 6 ARG C 1 1
2 412 1 1 6 ARG CA C 2.289 5.842 2.837 1.00 . A A . 6 ARG CA 1 1
2 413 1 1 6 ARG CB C 3.454 6.705 2.274 1.00 . A A . 6 ARG CB 1 1
2 414 1 1 6 ARG CD C 4.623 7.738 0.235 1.00 . A A . 6 ARG CD 1 1
2 415 1 1 6 ARG CG C 3.495 6.822 0.729 1.00 . A A . 6 ARG CG 1 1
2 416 1 1 6 ARG CZ C 6.810 6.801 -0.534 1.00 . A A . 6 ARG CZ 1 1
2 417 1 1 6 ARG H H 2.965 6.553 4.809 1.00 . A A . 6 ARG H 1 1
2 418 1 1 6 ARG HA H 1.336 6.165 2.381 1.00 . A A . 6 ARG HA 1 1
2 419 1 1 6 ARG HB2 H 3.403 7.723 2.708 1.00 . A A . 6 ARG HB2 1 1
2 420 1 1 6 ARG HB3 H 4.414 6.293 2.649 1.00 . A A . 6 ARG HB3 1 1
2 421 1 1 6 ARG HD2 H 4.471 7.996 -0.833 1.00 . A A . 6 ARG HD2 1 1
2 422 1 1 6 ARG HD3 H 4.622 8.691 0.802 1.00 . A A . 6 ARG HD3 1 1
2 423 1 1 6 ARG HE H 6.135 6.686 1.364 1.00 . A A . 6 ARG HE 1 1
2 424 1 1 6 ARG HG2 H 3.625 5.827 0.257 1.00 . A A . 6 ARG HG2 1 1
2 425 1 1 6 ARG HG3 H 2.523 7.197 0.348 1.00 . A A . 6 ARG HG3 1 1
2 426 1 1 6 ARG HH11 H 5.794 7.655 -1.952 1.00 . A A . 6 ARG HH11 1 1
2 427 1 1 6 ARG HH12 H 7.430 6.936 -2.413 1.00 . A A . 6 ARG HH12 1 1
2 428 1 1 6 ARG HH21 H 7.892 5.932 0.791 1.00 . A A . 6 ARG HH21 1 1
2 429 1 1 6 ARG HH22 H 8.575 5.998 -0.927 1.00 . A A . 6 ARG HH22 1 1
2 430 1 1 6 ARG N N 2.212 6.049 4.280 1.00 . A A . 6 ARG N 1 1
2 431 1 1 6 ARG NE N 5.915 7.029 0.418 1.00 . A A . 6 ARG NE 1 1
2 432 1 1 6 ARG NH1 N 6.673 7.168 -1.774 1.00 . A A . 6 ARG NH1 1 1
2 433 1 1 6 ARG NH2 N 7.883 6.175 -0.202 1.00 . A A . 6 ARG NH2 1 1
2 434 1 1 6 ARG O O 1.848 3.817 1.610 1.00 . A A . 6 ARG O 1 1
2 435 1 1 7 GLN C C 2.570 1.441 3.130 1.00 . A A . 7 GLN C 1 1
2 436 1 1 7 GLN CA C 3.758 2.359 2.970 1.00 . A A . 7 GLN CA 1 1
2 437 1 1 7 GLN CB C 4.896 1.961 3.937 1.00 . A A . 7 GLN CB 1 1
2 438 1 1 7 GLN CD C 7.185 1.280 2.739 1.00 . A A . 7 GLN CD 1 1
2 439 1 1 7 GLN CG C 6.347 2.328 3.482 1.00 . A A . 7 GLN CG 1 1
2 440 1 1 7 GLN H H 3.780 4.278 4.037 1.00 . A A . 7 GLN H 1 1
2 441 1 1 7 GLN HA H 4.111 2.278 1.925 1.00 . A A . 7 GLN HA 1 1
2 442 1 1 7 GLN HB2 H 4.708 2.430 4.923 1.00 . A A . 7 GLN HB2 1 1
2 443 1 1 7 GLN HB3 H 4.841 0.868 4.118 1.00 . A A . 7 GLN HB3 1 1
2 444 1 1 7 GLN HE21 H 5.939 1.266 1.212 1.00 . A A . 7 GLN HE21 1 1
2 445 1 1 7 GLN HE22 H 7.435 0.184 1.120 1.00 . A A . 7 GLN HE22 1 1
2 446 1 1 7 GLN HG2 H 6.327 3.198 2.800 1.00 . A A . 7 GLN HG2 1 1
2 447 1 1 7 GLN HG3 H 6.942 2.673 4.349 1.00 . A A . 7 GLN HG3 1 1
2 448 1 1 7 GLN N N 3.389 3.747 3.228 1.00 . A A . 7 GLN N 1 1
2 449 1 1 7 GLN NE2 N 6.789 0.832 1.575 1.00 . A A . 7 GLN NE2 1 1
2 450 1 1 7 GLN O O 2.493 0.361 2.535 1.00 . A A . 7 GLN O 1 1
2 451 1 1 7 GLN OE1 O 8.234 0.864 3.205 1.00 . A A . 7 GLN OE1 1 1
2 452 1 1 8 ARG C C -0.457 1.011 2.982 1.00 . A A . 8 ARG C 1 1
2 453 1 1 8 ARG CA C 0.417 1.068 4.211 1.00 . A A . 8 ARG CA 1 1
2 454 1 1 8 ARG CB C -0.337 1.707 5.412 1.00 . A A . 8 ARG CB 1 1
2 455 1 1 8 ARG CD C -2.851 1.272 5.143 1.00 . A A . 8 ARG CD 1 1
2 456 1 1 8 ARG CG C -1.573 0.920 5.916 1.00 . A A . 8 ARG CG 1 1
2 457 1 1 8 ARG CZ C -4.682 2.318 6.485 1.00 . A A . 8 ARG CZ 1 1
2 458 1 1 8 ARG H H 1.758 2.796 4.381 1.00 . A A . 8 ARG H 1 1
2 459 1 1 8 ARG HA H 0.717 0.034 4.462 1.00 . A A . 8 ARG HA 1 1
2 460 1 1 8 ARG HB2 H 0.378 1.862 6.249 1.00 . A A . 8 ARG HB2 1 1
2 461 1 1 8 ARG HB3 H -0.656 2.735 5.134 1.00 . A A . 8 ARG HB3 1 1
2 462 1 1 8 ARG HD2 H -2.606 1.554 4.099 1.00 . A A . 8 ARG HD2 1 1
2 463 1 1 8 ARG HD3 H -3.524 0.390 5.090 1.00 . A A . 8 ARG HD3 1 1
2 464 1 1 8 ARG HE H -3.060 3.314 5.817 1.00 . A A . 8 ARG HE 1 1
2 465 1 1 8 ARG HG2 H -1.409 -0.174 5.836 1.00 . A A . 8 ARG HG2 1 1
2 466 1 1 8 ARG HG3 H -1.733 1.110 6.997 1.00 . A A . 8 ARG HG3 1 1
2 467 1 1 8 ARG HH11 H -4.958 0.426 6.146 1.00 . A A . 8 ARG HH11 1 1
2 468 1 1 8 ARG HH12 H -6.258 1.297 7.124 1.00 . A A . 8 ARG HH12 1 1
2 469 1 1 8 ARG HH21 H -4.506 4.188 6.878 1.00 . A A . 8 ARG HH21 1 1
2 470 1 1 8 ARG HH22 H -6.019 3.342 7.525 1.00 . A A . 8 ARG HH22 1 1
2 471 1 1 8 ARG N N 1.625 1.850 3.955 1.00 . A A . 8 ARG N 1 1
2 472 1 1 8 ARG NE N -3.527 2.396 5.839 1.00 . A A . 8 ARG NE 1 1
2 473 1 1 8 ARG NH1 N -5.386 1.231 6.603 1.00 . A A . 8 ARG NH1 1 1
2 474 1 1 8 ARG NH2 N -5.132 3.394 7.029 1.00 . A A . 8 ARG NH2 1 1
2 475 1 1 8 ARG O O -1.016 -0.028 2.617 1.00 . A A . 8 ARG O 1 1
2 476 1 1 9 LEU C C -0.787 1.424 -0.004 1.00 . A A . 9 LEU C 1 1
2 477 1 1 9 LEU CA C -1.392 2.252 1.105 1.00 . A A . 9 LEU CA 1 1
2 478 1 1 9 LEU CB C -1.536 3.741 0.676 1.00 . A A . 9 LEU CB 1 1
2 479 1 1 9 LEU CD1 C -2.817 5.926 0.662 1.00 . A A . 9 LEU CD1 1 1
2 480 1 1 9 LEU CD2 C -3.877 3.913 1.733 1.00 . A A . 9 LEU CD2 1 1
2 481 1 1 9 LEU CG C -2.548 4.632 1.447 1.00 . A A . 9 LEU CG 1 1
2 482 1 1 9 LEU H H -0.068 2.966 2.706 1.00 . A A . 9 LEU H 1 1
2 483 1 1 9 LEU HA H -2.393 1.825 1.299 1.00 . A A . 9 LEU HA 1 1
2 484 1 1 9 LEU HB2 H -0.539 4.224 0.734 1.00 . A A . 9 LEU HB2 1 1
2 485 1 1 9 LEU HB3 H -1.796 3.772 -0.400 1.00 . A A . 9 LEU HB3 1 1
2 486 1 1 9 LEU HD11 H -1.887 6.493 0.474 1.00 . A A . 9 LEU HD11 1 1
2 487 1 1 9 LEU HD12 H -3.285 5.729 -0.321 1.00 . A A . 9 LEU HD12 1 1
2 488 1 1 9 LEU HD13 H -3.494 6.603 1.215 1.00 . A A . 9 LEU HD13 1 1
2 489 1 1 9 LEU HD21 H -4.356 3.536 0.810 1.00 . A A . 9 LEU HD21 1 1
2 490 1 1 9 LEU HD22 H -3.728 3.048 2.404 1.00 . A A . 9 LEU HD22 1 1
2 491 1 1 9 LEU HD23 H -4.603 4.574 2.242 1.00 . A A . 9 LEU HD23 1 1
2 492 1 1 9 LEU HG H -2.090 4.912 2.420 1.00 . A A . 9 LEU HG 1 1
2 493 1 1 9 LEU N N -0.600 2.149 2.327 1.00 . A A . 9 LEU N 1 1
2 494 1 1 9 LEU O O -1.479 0.916 -0.892 1.00 . A A . 9 LEU O 1 1
2 495 1 1 10 ALA C C 0.940 -1.041 -0.672 1.00 . A A . 10 ALA C 1 1
2 496 1 1 10 ALA CA C 1.235 0.420 -0.916 1.00 . A A . 10 ALA CA 1 1
2 497 1 1 10 ALA CB C 2.735 0.749 -0.811 1.00 . A A . 10 ALA CB 1 1
2 498 1 1 10 ALA H H 1.029 1.820 0.764 1.00 . A A . 10 ALA H 1 1
2 499 1 1 10 ALA HA H 0.875 0.668 -1.932 1.00 . A A . 10 ALA HA 1 1
2 500 1 1 10 ALA HB1 H 2.938 1.815 -1.031 1.00 . A A . 10 ALA HB1 1 1
2 501 1 1 10 ALA HB2 H 3.137 0.545 0.200 1.00 . A A . 10 ALA HB2 1 1
2 502 1 1 10 ALA HB3 H 3.337 0.159 -1.526 1.00 . A A . 10 ALA HB3 1 1
2 503 1 1 10 ALA N N 0.522 1.266 0.039 1.00 . A A . 10 ALA N 1 1
2 504 1 1 10 ALA O O 0.872 -1.859 -1.595 1.00 . A A . 10 ALA O 1 1
2 505 1 1 11 ALA C C -0.797 -3.273 0.516 1.00 . A A . 11 ALA C 1 1
2 506 1 1 11 ALA CA C 0.550 -2.781 0.988 1.00 . A A . 11 ALA CA 1 1
2 507 1 1 11 ALA CB C 0.709 -2.864 2.516 1.00 . A A . 11 ALA CB 1 1
2 508 1 1 11 ALA H H 0.829 -0.624 1.291 1.00 . A A . 11 ALA H 1 1
2 509 1 1 11 ALA HA H 1.322 -3.408 0.504 1.00 . A A . 11 ALA HA 1 1
2 510 1 1 11 ALA HB1 H 1.716 -2.536 2.842 1.00 . A A . 11 ALA HB1 1 1
2 511 1 1 11 ALA HB2 H -0.025 -2.228 3.048 1.00 . A A . 11 ALA HB2 1 1
2 512 1 1 11 ALA HB3 H 0.577 -3.896 2.890 1.00 . A A . 11 ALA HB3 1 1
2 513 1 1 11 ALA N N 0.776 -1.394 0.589 1.00 . A A . 11 ALA N 1 1
2 514 1 1 11 ALA O O -0.996 -4.458 0.227 1.00 . A A . 11 ALA O 1 1
2 515 1 1 12 ARG C C -3.068 -2.921 -1.544 1.00 . A A . 12 ARG C 1 1
2 516 1 1 12 ARG CA C -3.092 -2.683 -0.052 1.00 . A A . 12 ARG CA 1 1
2 517 1 1 12 ARG CB C -4.043 -1.511 0.314 1.00 . A A . 12 ARG CB 1 1
2 518 1 1 12 ARG CD C -6.295 -2.596 0.923 1.00 . A A . 12 ARG CD 1 1
2 519 1 1 12 ARG CG C -5.532 -1.707 -0.069 1.00 . A A . 12 ARG CG 1 1
2 520 1 1 12 ARG CZ C -8.482 -3.025 -0.213 1.00 . A A . 12 ARG CZ 1 1
2 521 1 1 12 ARG H H -1.487 -1.391 0.704 1.00 . A A . 12 ARG H 1 1
2 522 1 1 12 ARG HA H -3.433 -3.615 0.433 1.00 . A A . 12 ARG HA 1 1
2 523 1 1 12 ARG HB2 H -3.951 -1.288 1.397 1.00 . A A . 12 ARG HB2 1 1
2 524 1 1 12 ARG HB3 H -3.682 -0.580 -0.183 1.00 . A A . 12 ARG HB3 1 1
2 525 1 1 12 ARG HD2 H -6.025 -3.661 0.775 1.00 . A A . 12 ARG HD2 1 1
2 526 1 1 12 ARG HD3 H -6.026 -2.332 1.966 1.00 . A A . 12 ARG HD3 1 1
2 527 1 1 12 ARG HE H -8.228 -1.706 1.293 1.00 . A A . 12 ARG HE 1 1
2 528 1 1 12 ARG HG2 H -6.058 -0.729 -0.129 1.00 . A A . 12 ARG HG2 1 1
2 529 1 1 12 ARG HG3 H -5.616 -2.138 -1.087 1.00 . A A . 12 ARG HG3 1 1
2 530 1 1 12 ARG HH11 H -7.049 -4.174 -0.844 1.00 . A A . 12 ARG HH11 1 1
2 531 1 1 12 ARG HH12 H -8.673 -4.311 -1.711 1.00 . A A . 12 ARG HH12 1 1
2 532 1 1 12 ARG HH21 H -9.984 -1.991 0.384 1.00 . A A . 12 ARG HH21 1 1
2 533 1 1 12 ARG HH22 H -10.286 -3.163 -1.015 1.00 . A A . 12 ARG HH22 1 1
2 534 1 1 12 ARG N N -1.753 -2.367 0.442 1.00 . A A . 12 ARG N 1 1
2 535 1 1 12 ARG NE N -7.750 -2.396 0.696 1.00 . A A . 12 ARG NE 1 1
2 536 1 1 12 ARG NH1 N -8.027 -3.940 -1.016 1.00 . A A . 12 ARG NH1 1 1
2 537 1 1 12 ARG NH2 N -9.724 -2.701 -0.303 1.00 . A A . 12 ARG NH2 1 1
2 538 1 1 12 ARG O O -3.571 -3.921 -2.063 1.00 . A A . 12 ARG O 1 1
2 539 1 1 13 LEU C C -1.767 -3.351 -4.166 1.00 . A A . 13 LEU C 1 1
2 540 1 1 13 LEU CA C -2.393 -2.052 -3.715 1.00 . A A . 13 LEU CA 1 1
2 541 1 1 13 LEU CB C -1.603 -0.834 -4.275 1.00 . A A . 13 LEU CB 1 1
2 542 1 1 13 LEU CD1 C -1.976 -1.118 -6.805 1.00 . A A . 13 LEU CD1 1 1
2 543 1 1 13 LEU CD2 C -0.043 0.242 -5.953 1.00 . A A . 13 LEU CD2 1 1
2 544 1 1 13 LEU CG C -0.944 -0.969 -5.674 1.00 . A A . 13 LEU CG 1 1
2 545 1 1 13 LEU H H -2.101 -1.164 -1.721 1.00 . A A . 13 LEU H 1 1
2 546 1 1 13 LEU HA H -3.420 -2.047 -4.124 1.00 . A A . 13 LEU HA 1 1
2 547 1 1 13 LEU HB2 H -2.277 0.047 -4.296 1.00 . A A . 13 LEU HB2 1 1
2 548 1 1 13 LEU HB3 H -0.815 -0.562 -3.545 1.00 . A A . 13 LEU HB3 1 1
2 549 1 1 13 LEU HD11 H -2.718 -1.903 -6.569 1.00 . A A . 13 LEU HD11 1 1
2 550 1 1 13 LEU HD12 H -2.553 -0.188 -6.963 1.00 . A A . 13 LEU HD12 1 1
2 551 1 1 13 LEU HD13 H -1.506 -1.389 -7.768 1.00 . A A . 13 LEU HD13 1 1
2 552 1 1 13 LEU HD21 H 0.687 0.408 -5.138 1.00 . A A . 13 LEU HD21 1 1
2 553 1 1 13 LEU HD22 H 0.535 0.129 -6.890 1.00 . A A . 13 LEU HD22 1 1
2 554 1 1 13 LEU HD23 H -0.630 1.175 -6.043 1.00 . A A . 13 LEU HD23 1 1
2 555 1 1 13 LEU HG H -0.303 -1.875 -5.668 1.00 . A A . 13 LEU HG 1 1
2 556 1 1 13 LEU N N -2.476 -1.981 -2.260 1.00 . A A . 13 LEU N 1 1
2 557 1 1 13 LEU O O -2.126 -3.924 -5.200 1.00 . A A . 13 LEU O 1 1
2 558 1 1 14 GLU C C -0.905 -6.251 -3.728 1.00 . A A . 14 GLU C 1 1
2 559 1 1 14 GLU CA C -0.038 -5.016 -3.761 1.00 . A A . 14 GLU CA 1 1
2 560 1 1 14 GLU CB C 1.171 -5.136 -2.780 1.00 . A A . 14 GLU CB 1 1
2 561 1 1 14 GLU CD C 2.380 -6.537 -4.687 1.00 . A A . 14 GLU CD 1 1
2 562 1 1 14 GLU CG C 2.282 -6.152 -3.202 1.00 . A A . 14 GLU CG 1 1
2 563 1 1 14 GLU H H -0.643 -3.329 -2.498 1.00 . A A . 14 GLU H 1 1
2 564 1 1 14 GLU HA H 0.360 -4.901 -4.784 1.00 . A A . 14 GLU HA 1 1
2 565 1 1 14 GLU HB2 H 1.623 -4.131 -2.666 1.00 . A A . 14 GLU HB2 1 1
2 566 1 1 14 GLU HB3 H 0.769 -5.368 -1.777 1.00 . A A . 14 GLU HB3 1 1
2 567 1 1 14 GLU HG2 H 3.272 -5.754 -2.919 1.00 . A A . 14 GLU HG2 1 1
2 568 1 1 14 GLU HG3 H 2.164 -7.097 -2.643 1.00 . A A . 14 GLU HG3 1 1
2 569 1 1 14 GLU N N -0.805 -3.829 -3.401 1.00 . A A . 14 GLU N 1 1
2 570 1 1 14 GLU O O -0.847 -7.118 -4.606 1.00 . A A . 14 GLU O 1 1
2 571 1 1 14 GLU OE1 O 2.900 -5.813 -5.525 1.00 . A A . 14 GLU OE1 1 1
2 572 1 1 14 GLU OE2 O 1.836 -7.752 -4.972 1.00 . A A . 14 GLU OE2 1 1
2 573 1 1 15 ALA C C -3.568 -7.640 -3.662 1.00 . A A . 15 ALA C 1 1
2 574 1 1 15 ALA CA C -2.599 -7.505 -2.511 1.00 . A A . 15 ALA CA 1 1
2 575 1 1 15 ALA CB C -3.307 -7.347 -1.154 1.00 . A A . 15 ALA CB 1 1
2 576 1 1 15 ALA H H -1.762 -5.524 -2.062 1.00 . A A . 15 ALA H 1 1
2 577 1 1 15 ALA HA H -1.969 -8.413 -2.492 1.00 . A A . 15 ALA HA 1 1
2 578 1 1 15 ALA HB1 H -2.583 -7.288 -0.318 1.00 . A A . 15 ALA HB1 1 1
2 579 1 1 15 ALA HB2 H -3.926 -6.430 -1.110 1.00 . A A . 15 ALA HB2 1 1
2 580 1 1 15 ALA HB3 H -3.974 -8.201 -0.934 1.00 . A A . 15 ALA HB3 1 1
2 581 1 1 15 ALA N N -1.729 -6.348 -2.702 1.00 . A A . 15 ALA N 1 1
2 582 1 1 15 ALA O O -3.938 -8.740 -4.085 1.00 . A A . 15 ALA O 1 1
2 583 1 1 16 LEU C C -4.453 -6.952 -6.556 1.00 . A A . 16 LEU C 1 1
2 584 1 1 16 LEU CA C -5.013 -6.478 -5.236 1.00 . A A . 16 LEU CA 1 1
2 585 1 1 16 LEU CB C -5.616 -5.050 -5.370 1.00 . A A . 16 LEU CB 1 1
2 586 1 1 16 LEU CD1 C -7.536 -3.489 -4.836 1.00 . A A . 16 LEU CD1 1 1
2 587 1 1 16 LEU CD2 C -7.434 -5.714 -3.674 1.00 . A A . 16 LEU CD2 1 1
2 588 1 1 16 LEU CG C -6.601 -4.567 -4.271 1.00 . A A . 16 LEU CG 1 1
2 589 1 1 16 LEU H H -3.597 -5.630 -3.780 1.00 . A A . 16 LEU H 1 1
2 590 1 1 16 LEU HA H -5.812 -7.192 -4.965 1.00 . A A . 16 LEU HA 1 1
2 591 1 1 16 LEU HB2 H -4.785 -4.319 -5.432 1.00 . A A . 16 LEU HB2 1 1
2 592 1 1 16 LEU HB3 H -6.126 -4.975 -6.350 1.00 . A A . 16 LEU HB3 1 1
2 593 1 1 16 LEU HD11 H -6.973 -2.625 -5.237 1.00 . A A . 16 LEU HD11 1 1
2 594 1 1 16 LEU HD12 H -8.172 -3.873 -5.656 1.00 . A A . 16 LEU HD12 1 1
2 595 1 1 16 LEU HD13 H -8.214 -3.089 -4.059 1.00 . A A . 16 LEU HD13 1 1
2 596 1 1 16 LEU HD21 H -7.996 -6.270 -4.447 1.00 . A A . 16 LEU HD21 1 1
2 597 1 1 16 LEU HD22 H -6.791 -6.444 -3.147 1.00 . A A . 16 LEU HD22 1 1
2 598 1 1 16 LEU HD23 H -8.161 -5.351 -2.925 1.00 . A A . 16 LEU HD23 1 1
2 599 1 1 16 LEU HG H -6.007 -4.108 -3.454 1.00 . A A . 16 LEU HG 1 1
2 600 1 1 16 LEU N N -3.995 -6.507 -4.190 1.00 . A A . 16 LEU N 1 1
2 601 1 1 16 LEU O O -5.090 -7.701 -7.305 1.00 . A A . 16 LEU O 1 1
2 602 1 1 17 LYS C C -1.902 -8.112 -8.199 1.00 . A A . 17 LYS C 1 1
2 603 1 1 17 LYS CA C -2.636 -6.793 -8.167 1.00 . A A . 17 LYS CA 1 1
2 604 1 1 17 LYS CB C -1.668 -5.627 -8.530 1.00 . A A . 17 LYS CB 1 1
2 605 1 1 17 LYS CD C 0.902 -5.986 -8.460 1.00 . A A . 17 LYS CD 1 1
2 606 1 1 17 LYS CE C 1.463 -7.308 -7.919 1.00 . A A . 17 LYS CE 1 1
2 607 1 1 17 LYS CG C -0.369 -5.624 -7.686 1.00 . A A . 17 LYS CG 1 1
2 608 1 1 17 LYS H H -2.783 -5.899 -6.165 1.00 . A A . 17 LYS H 1 1
2 609 1 1 17 LYS HA H -3.445 -6.850 -8.919 1.00 . A A . 17 LYS HA 1 1
2 610 1 1 17 LYS HB2 H -1.407 -5.684 -9.604 1.00 . A A . 17 LYS HB2 1 1
2 611 1 1 17 LYS HB3 H -2.198 -4.659 -8.414 1.00 . A A . 17 LYS HB3 1 1
2 612 1 1 17 LYS HD2 H 0.675 -6.054 -9.541 1.00 . A A . 17 LYS HD2 1 1
2 613 1 1 17 LYS HD3 H 1.652 -5.177 -8.348 1.00 . A A . 17 LYS HD3 1 1
2 614 1 1 17 LYS HE2 H 1.561 -7.266 -6.814 1.00 . A A . 17 LYS HE2 1 1
2 615 1 1 17 LYS HE3 H 0.773 -8.152 -8.129 1.00 . A A . 17 LYS HE3 1 1
2 616 1 1 17 LYS HG2 H -0.246 -4.637 -7.197 1.00 . A A . 17 LYS HG2 1 1
2 617 1 1 17 LYS HG3 H -0.449 -6.354 -6.859 1.00 . A A . 17 LYS HG3 1 1
2 618 1 1 17 LYS HZ1 H 3.217 -6.684 -8.801 1.00 . A A . 17 LYS HZ1 1 1
2 619 1 1 17 LYS HZ2 H 3.374 -8.078 -7.874 1.00 . A A . 17 LYS HZ2 1 1
2 620 1 1 17 LYS HZ3 H 2.640 -8.151 -9.385 1.00 . A A . 17 LYS HZ3 1 1
2 621 1 1 17 LYS N N -3.251 -6.508 -6.871 1.00 . A A . 17 LYS N 1 1
2 622 1 1 17 LYS NZ N 2.772 -7.575 -8.542 1.00 . A A . 17 LYS NZ 1 1
2 623 1 1 17 LYS O O -1.150 -8.403 -9.145 1.00 . A A . 17 LYS O 1 1
2 624 1 1 18 GLU C C -2.454 -11.299 -7.731 1.00 . A A . 18 GLU C 1 1
2 625 1 1 18 GLU CA C -1.503 -10.279 -7.157 1.00 . A A . 18 GLU CA 1 1
2 626 1 1 18 GLU CB C -1.152 -10.609 -5.675 1.00 . A A . 18 GLU CB 1 1
2 627 1 1 18 GLU CD C -0.470 -12.609 -4.062 1.00 . A A . 18 GLU CD 1 1
2 628 1 1 18 GLU CG C -0.284 -11.877 -5.393 1.00 . A A . 18 GLU CG 1 1
2 629 1 1 18 GLU H H -2.572 -8.545 -6.353 1.00 . A A . 18 GLU H 1 1
2 630 1 1 18 GLU HA H -0.586 -10.286 -7.774 1.00 . A A . 18 GLU HA 1 1
2 631 1 1 18 GLU HB2 H -0.647 -9.721 -5.236 1.00 . A A . 18 GLU HB2 1 1
2 632 1 1 18 GLU HB3 H -2.104 -10.672 -5.106 1.00 . A A . 18 GLU HB3 1 1
2 633 1 1 18 GLU HG2 H -0.446 -12.626 -6.192 1.00 . A A . 18 GLU HG2 1 1
2 634 1 1 18 GLU HG3 H 0.792 -11.630 -5.472 1.00 . A A . 18 GLU HG3 1 1
2 635 1 1 18 GLU N N -2.070 -8.932 -7.181 1.00 . A A . 18 GLU N 1 1
2 636 1 1 18 GLU O O -2.814 -12.292 -7.087 1.00 . A A . 18 GLU O 1 1
2 637 1 1 18 GLU OE1 O -1.559 -12.731 -3.516 1.00 . A A . 18 GLU OE1 1 1
2 638 1 1 18 GLU OE2 O 0.686 -13.109 -3.546 1.00 . A A . 18 GLU OE2 1 1
2 639 1 1 19 ASN C C -3.964 -11.650 -11.081 1.00 . A A . 19 ASN C 1 1
2 640 1 1 19 ASN CA C -3.868 -11.941 -9.602 1.00 . A A . 19 ASN CA 1 1
2 641 1 1 19 ASN CB C -5.254 -11.763 -8.915 1.00 . A A . 19 ASN CB 1 1
2 642 1 1 19 ASN CG C -6.393 -12.662 -9.407 1.00 . A A . 19 ASN CG 1 1
2 643 1 1 19 ASN H H -2.457 -10.259 -9.451 1.00 . A A . 19 ASN H 1 1
2 644 1 1 19 ASN HA H -3.528 -12.988 -9.497 1.00 . A A . 19 ASN HA 1 1
2 645 1 1 19 ASN HB2 H -5.160 -11.891 -7.821 1.00 . A A . 19 ASN HB2 1 1
2 646 1 1 19 ASN HB3 H -5.596 -10.718 -9.040 1.00 . A A . 19 ASN HB3 1 1
2 647 1 1 19 ASN HD21 H -7.734 -11.643 -8.347 1.00 . A A . 19 ASN HD21 1 1
2 648 1 1 19 ASN HD22 H -8.285 -13.100 -9.339 1.00 . A A . 19 ASN HD22 1 1
2 649 1 1 19 ASN N N -2.890 -11.071 -8.956 1.00 . A A . 19 ASN N 1 1
2 650 1 1 19 ASN ND2 N -7.613 -12.396 -9.024 1.00 . A A . 19 ASN ND2 1 1
2 651 1 1 19 ASN O O -3.688 -12.499 -11.934 1.00 . A A . 19 ASN O 1 1
2 652 1 1 19 ASN OD1 O -6.200 -13.617 -10.144 1.00 . A A . 19 ASN OD1 1 1
2 653 1 1 20 GLY C C -4.165 -8.621 -13.032 1.00 . A A . 20 GLY C 1 1
2 654 1 1 20 GLY CA C -4.603 -10.046 -12.794 1.00 . A A . 20 GLY CA 1 1
2 655 1 1 20 GLY H H -4.573 -9.793 -10.610 1.00 . A A . 20 GLY H 1 1
2 656 1 1 20 GLY HA2 H -4.048 -10.716 -13.477 1.00 . A A . 20 GLY HA2 1 1
2 657 1 1 20 GLY HA3 H -5.674 -10.144 -13.049 1.00 . A A . 20 GLY HA3 1 1
2 658 1 1 20 GLY N N -4.376 -10.439 -11.407 1.00 . A A . 20 GLY N 1 1
2 659 1 1 20 GLY O O -4.960 -7.640 -12.895 1.00 . A A . 20 GLY O 1 1
2 660 1 1 20 GLY OXT O -2.953 -8.461 -13.378 1.00 . A A . 20 GLY OXT 1 1
3 661 1 1 1 TYR C C 3.533 12.173 6.030 1.00 . A A . 1 TYR C 1 1
3 662 1 1 1 TYR CA C 2.981 12.934 4.848 1.00 . A A . 1 TYR CA 1 1
3 663 1 1 1 TYR CB C 4.142 13.179 3.843 1.00 . A A . 1 TYR CB 1 1
3 664 1 1 1 TYR CD1 C 3.514 11.068 2.558 1.00 . A A . 1 TYR CD1 1 1
3 665 1 1 1 TYR CD2 C 5.472 12.303 1.862 1.00 . A A . 1 TYR CD2 1 1
3 666 1 1 1 TYR CE1 C 3.720 10.161 1.522 1.00 . A A . 1 TYR CE1 1 1
3 667 1 1 1 TYR CE2 C 5.675 11.392 0.829 1.00 . A A . 1 TYR CE2 1 1
3 668 1 1 1 TYR CG C 4.380 12.153 2.729 1.00 . A A . 1 TYR CG 1 1
3 669 1 1 1 TYR CZ C 4.799 10.324 0.657 1.00 . A A . 1 TYR CZ 1 1
3 670 1 1 1 TYR H1 H 2.961 14.605 6.034 1.00 . A A . 1 TYR H1 1 1
3 671 1 1 1 TYR H2 H 2.363 14.854 4.482 1.00 . A A . 1 TYR H2 1 1
3 672 1 1 1 TYR H3 H 1.433 14.036 5.621 1.00 . A A . 1 TYR H3 1 1
3 673 1 1 1 TYR HA H 2.196 12.312 4.380 1.00 . A A . 1 TYR HA 1 1
3 674 1 1 1 TYR HB2 H 3.999 14.168 3.349 1.00 . A A . 1 TYR HB2 1 1
3 675 1 1 1 TYR HB3 H 5.090 13.327 4.412 1.00 . A A . 1 TYR HB3 1 1
3 676 1 1 1 TYR HD1 H 2.672 10.935 3.226 1.00 . A A . 1 TYR HD1 1 1
3 677 1 1 1 TYR HD2 H 6.152 13.134 1.984 1.00 . A A . 1 TYR HD2 1 1
3 678 1 1 1 TYR HE1 H 3.038 9.332 1.400 1.00 . A A . 1 TYR HE1 1 1
3 679 1 1 1 TYR HE2 H 6.514 11.510 0.159 1.00 . A A . 1 TYR HE2 1 1
3 680 1 1 1 TYR HH H 4.492 9.715 -1.119 1.00 . A A . 1 TYR HH 1 1
3 681 1 1 1 TYR N N 2.390 14.200 5.278 1.00 . A A . 1 TYR N 1 1
3 682 1 1 1 TYR O O 3.990 12.750 7.023 1.00 . A A . 1 TYR O 1 1
3 683 1 1 1 TYR OH O 5.003 9.435 -0.358 1.00 . A A . 1 TYR OH 1 1
3 684 1 1 2 SER C C 4.423 8.656 6.477 1.00 . A A . 2 SER C 1 1
3 685 1 1 2 SER CA C 3.978 9.994 7.020 1.00 . A A . 2 SER CA 1 1
3 686 1 1 2 SER CB C 2.903 9.836 8.125 1.00 . A A . 2 SER CB 1 1
3 687 1 1 2 SER H H 3.097 10.466 5.061 1.00 . A A . 2 SER H 1 1
3 688 1 1 2 SER HA H 4.869 10.471 7.467 1.00 . A A . 2 SER HA 1 1
3 689 1 1 2 SER HB2 H 2.449 10.813 8.383 1.00 . A A . 2 SER HB2 1 1
3 690 1 1 2 SER HB3 H 2.062 9.224 7.743 1.00 . A A . 2 SER HB3 1 1
3 691 1 1 2 SER HG H 2.856 9.502 10.044 1.00 . A A . 2 SER HG 1 1
3 692 1 1 2 SER N N 3.495 10.856 5.945 1.00 . A A . 2 SER N 1 1
3 693 1 1 2 SER O O 3.631 7.867 5.955 1.00 . A A . 2 SER O 1 1
3 694 1 1 2 SER OG O 3.409 9.216 9.312 1.00 . A A . 2 SER OG 1 1
3 695 1 1 3 ASP C C 5.436 5.910 6.330 1.00 . A A . 3 ASP C 1 1
3 696 1 1 3 ASP CA C 6.330 7.119 6.199 1.00 . A A . 3 ASP CA 1 1
3 697 1 1 3 ASP CB C 7.633 6.933 7.039 1.00 . A A . 3 ASP CB 1 1
3 698 1 1 3 ASP CG C 8.903 6.574 6.256 1.00 . A A . 3 ASP CG 1 1
3 699 1 1 3 ASP H H 6.319 9.218 6.835 1.00 . A A . 3 ASP H 1 1
3 700 1 1 3 ASP HA H 6.584 7.204 5.127 1.00 . A A . 3 ASP HA 1 1
3 701 1 1 3 ASP HB2 H 7.851 7.835 7.632 1.00 . A A . 3 ASP HB2 1 1
3 702 1 1 3 ASP HB3 H 7.469 6.135 7.787 1.00 . A A . 3 ASP HB3 1 1
3 703 1 1 3 ASP N N 5.711 8.395 6.561 1.00 . A A . 3 ASP N 1 1
3 704 1 1 3 ASP O O 5.149 5.179 5.361 1.00 . A A . 3 ASP O 1 1
3 705 1 1 3 ASP OD1 O 9.011 5.234 6.002 1.00 . A A . 3 ASP OD1 1 1
3 706 1 1 3 ASP OD2 O 9.722 7.406 5.893 1.00 . A A . 3 ASP OD2 1 1
3 707 1 1 4 GLU C C 2.908 4.326 7.144 1.00 . A A . 4 GLU C 1 1
3 708 1 1 4 GLU CA C 4.245 4.405 7.842 1.00 . A A . 4 GLU CA 1 1
3 709 1 1 4 GLU CB C 4.064 4.318 9.388 1.00 . A A . 4 GLU CB 1 1
3 710 1 1 4 GLU CD C 2.669 5.112 11.514 1.00 . A A . 4 GLU CD 1 1
3 711 1 1 4 GLU CG C 2.919 5.190 10.008 1.00 . A A . 4 GLU CG 1 1
3 712 1 1 4 GLU H H 5.087 6.394 8.243 1.00 . A A . 4 GLU H 1 1
3 713 1 1 4 GLU HA H 4.853 3.549 7.497 1.00 . A A . 4 GLU HA 1 1
3 714 1 1 4 GLU HB2 H 3.892 3.265 9.666 1.00 . A A . 4 GLU HB2 1 1
3 715 1 1 4 GLU HB3 H 5.020 4.583 9.871 1.00 . A A . 4 GLU HB3 1 1
3 716 1 1 4 GLU HG2 H 3.100 6.255 9.765 1.00 . A A . 4 GLU HG2 1 1
3 717 1 1 4 GLU HG3 H 1.959 4.961 9.507 1.00 . A A . 4 GLU HG3 1 1
3 718 1 1 4 GLU N N 4.968 5.638 7.533 1.00 . A A . 4 GLU N 1 1
3 719 1 1 4 GLU O O 2.481 3.264 6.676 1.00 . A A . 4 GLU O 1 1
3 720 1 1 4 GLU OE1 O 1.915 4.294 12.024 1.00 . A A . 4 GLU OE1 1 1
3 721 1 1 4 GLU OE2 O 3.362 6.039 12.234 1.00 . A A . 4 GLU OE2 1 1
3 722 1 1 5 LEU C C 0.816 5.187 5.072 1.00 . A A . 5 LEU C 1 1
3 723 1 1 5 LEU CA C 0.850 5.479 6.556 1.00 . A A . 5 LEU CA 1 1
3 724 1 1 5 LEU CB C 0.185 6.848 6.889 1.00 . A A . 5 LEU CB 1 1
3 725 1 1 5 LEU CD1 C -1.578 7.576 5.222 1.00 . A A . 5 LEU CD1 1 1
3 726 1 1 5 LEU CD2 C 0.086 9.278 6.034 1.00 . A A . 5 LEU CD2 1 1
3 727 1 1 5 LEU CG C -0.136 7.795 5.699 1.00 . A A . 5 LEU CG 1 1
3 728 1 1 5 LEU H H 2.723 6.313 7.370 1.00 . A A . 5 LEU H 1 1
3 729 1 1 5 LEU HA H 0.268 4.670 7.031 1.00 . A A . 5 LEU HA 1 1
3 730 1 1 5 LEU HB2 H -0.753 6.661 7.444 1.00 . A A . 5 LEU HB2 1 1
3 731 1 1 5 LEU HB3 H 0.834 7.390 7.599 1.00 . A A . 5 LEU HB3 1 1
3 732 1 1 5 LEU HD11 H -1.763 6.527 4.931 1.00 . A A . 5 LEU HD11 1 1
3 733 1 1 5 LEU HD12 H -2.321 7.836 6.001 1.00 . A A . 5 LEU HD12 1 1
3 734 1 1 5 LEU HD13 H -1.810 8.196 4.334 1.00 . A A . 5 LEU HD13 1 1
3 735 1 1 5 LEU HD21 H -0.506 9.602 6.911 1.00 . A A . 5 LEU HD21 1 1
3 736 1 1 5 LEU HD22 H 1.147 9.485 6.258 1.00 . A A . 5 LEU HD22 1 1
3 737 1 1 5 LEU HD23 H -0.183 9.936 5.187 1.00 . A A . 5 LEU HD23 1 1
3 738 1 1 5 LEU HG H 0.547 7.514 4.867 1.00 . A A . 5 LEU HG 1 1
3 739 1 1 5 LEU N N 2.214 5.446 7.077 1.00 . A A . 5 LEU N 1 1
3 740 1 1 5 LEU O O -0.089 4.525 4.555 1.00 . A A . 5 LEU O 1 1
3 741 1 1 6 ARG C C 2.284 4.166 2.504 1.00 . A A . 6 ARG C 1 1
3 742 1 1 6 ARG CA C 1.874 5.561 2.909 1.00 . A A . 6 ARG CA 1 1
3 743 1 1 6 ARG CB C 2.873 6.625 2.369 1.00 . A A . 6 ARG CB 1 1
3 744 1 1 6 ARG CD C 3.938 6.149 0.083 1.00 . A A . 6 ARG CD 1 1
3 745 1 1 6 ARG CG C 2.814 6.870 0.839 1.00 . A A . 6 ARG CG 1 1
3 746 1 1 6 ARG CZ C 4.250 5.479 -2.305 1.00 . A A . 6 ARG CZ 1 1
3 747 1 1 6 ARG H H 2.550 6.186 4.903 1.00 . A A . 6 ARG H 1 1
3 748 1 1 6 ARG HA H 0.869 5.756 2.492 1.00 . A A . 6 ARG HA 1 1
3 749 1 1 6 ARG HB2 H 2.717 7.578 2.915 1.00 . A A . 6 ARG HB2 1 1
3 750 1 1 6 ARG HB3 H 3.903 6.319 2.637 1.00 . A A . 6 ARG HB3 1 1
3 751 1 1 6 ARG HD2 H 4.910 6.651 0.266 1.00 . A A . 6 ARG HD2 1 1
3 752 1 1 6 ARG HD3 H 4.039 5.106 0.447 1.00 . A A . 6 ARG HD3 1 1
3 753 1 1 6 ARG HE H 2.821 6.751 -1.665 1.00 . A A . 6 ARG HE 1 1
3 754 1 1 6 ARG HG2 H 1.843 6.536 0.419 1.00 . A A . 6 ARG HG2 1 1
3 755 1 1 6 ARG HG3 H 2.864 7.957 0.624 1.00 . A A . 6 ARG HG3 1 1
3 756 1 1 6 ARG HH11 H 5.522 4.647 -1.095 1.00 . A A . 6 ARG HH11 1 1
3 757 1 1 6 ARG HH12 H 5.670 4.221 -2.885 1.00 . A A . 6 ARG HH12 1 1
3 758 1 1 6 ARG HH21 H 3.042 6.245 -3.583 1.00 . A A . 6 ARG HH21 1 1
3 759 1 1 6 ARG HH22 H 4.325 5.087 -4.243 1.00 . A A . 6 ARG HH22 1 1
3 760 1 1 6 ARG N N 1.811 5.683 4.363 1.00 . A A . 6 ARG N 1 1
3 761 1 1 6 ARG NE N 3.611 6.162 -1.365 1.00 . A A . 6 ARG NE 1 1
3 762 1 1 6 ARG NH1 N 5.261 4.692 -2.081 1.00 . A A . 6 ARG NH1 1 1
3 763 1 1 6 ARG NH2 N 3.838 5.607 -3.516 1.00 . A A . 6 ARG NH2 1 1
3 764 1 1 6 ARG O O 1.829 3.609 1.501 1.00 . A A . 6 ARG O 1 1
3 765 1 1 7 GLN C C 2.481 1.231 3.314 1.00 . A A . 7 GLN C 1 1
3 766 1 1 7 GLN CA C 3.611 2.204 3.078 1.00 . A A . 7 GLN CA 1 1
3 767 1 1 7 GLN CB C 4.796 1.913 4.028 1.00 . A A . 7 GLN CB 1 1
3 768 1 1 7 GLN CD C 7.422 2.197 4.437 1.00 . A A . 7 GLN CD 1 1
3 769 1 1 7 GLN CG C 6.165 2.563 3.638 1.00 . A A . 7 GLN CG 1 1
3 770 1 1 7 GLN H H 3.538 4.157 4.077 1.00 . A A . 7 GLN H 1 1
3 771 1 1 7 GLN HA H 3.939 2.095 2.028 1.00 . A A . 7 GLN HA 1 1
3 772 1 1 7 GLN HB2 H 4.526 2.245 5.049 1.00 . A A . 7 GLN HB2 1 1
3 773 1 1 7 GLN HB3 H 4.928 0.814 4.102 1.00 . A A . 7 GLN HB3 1 1
3 774 1 1 7 GLN HE21 H 8.567 2.357 2.839 1.00 . A A . 7 GLN HE21 1 1
3 775 1 1 7 GLN HE22 H 9.368 1.879 4.437 1.00 . A A . 7 GLN HE22 1 1
3 776 1 1 7 GLN HG2 H 6.422 2.316 2.591 1.00 . A A . 7 GLN HG2 1 1
3 777 1 1 7 GLN HG3 H 6.077 3.666 3.645 1.00 . A A . 7 GLN HG3 1 1
3 778 1 1 7 GLN N N 3.176 3.582 3.284 1.00 . A A . 7 GLN N 1 1
3 779 1 1 7 GLN NE2 N 8.585 2.147 3.838 1.00 . A A . 7 GLN NE2 1 1
3 780 1 1 7 GLN O O 2.410 0.154 2.710 1.00 . A A . 7 GLN O 1 1
3 781 1 1 7 GLN OE1 O 7.362 1.955 5.632 1.00 . A A . 7 GLN OE1 1 1
3 782 1 1 8 ARG C C -0.507 0.727 3.235 1.00 . A A . 8 ARG C 1 1
3 783 1 1 8 ARG CA C 0.379 0.792 4.457 1.00 . A A . 8 ARG CA 1 1
3 784 1 1 8 ARG CB C -0.378 1.409 5.667 1.00 . A A . 8 ARG CB 1 1
3 785 1 1 8 ARG CD C -2.150 1.097 7.499 1.00 . A A . 8 ARG CD 1 1
3 786 1 1 8 ARG CG C -1.618 0.611 6.144 1.00 . A A . 8 ARG CG 1 1
3 787 1 1 8 ARG CZ C -4.243 2.350 8.044 1.00 . A A . 8 ARG CZ 1 1
3 788 1 1 8 ARG H H 1.709 2.530 4.647 1.00 . A A . 8 ARG H 1 1
3 789 1 1 8 ARG HA H 0.701 -0.238 4.698 1.00 . A A . 8 ARG HA 1 1
3 790 1 1 8 ARG HB2 H 0.334 1.556 6.506 1.00 . A A . 8 ARG HB2 1 1
3 791 1 1 8 ARG HB3 H -0.703 2.440 5.403 1.00 . A A . 8 ARG HB3 1 1
3 792 1 1 8 ARG HD2 H -2.556 0.246 8.082 1.00 . A A . 8 ARG HD2 1 1
3 793 1 1 8 ARG HD3 H -1.328 1.538 8.100 1.00 . A A . 8 ARG HD3 1 1
3 794 1 1 8 ARG HE H -3.134 2.668 6.389 1.00 . A A . 8 ARG HE 1 1
3 795 1 1 8 ARG HG2 H -2.443 0.676 5.404 1.00 . A A . 8 ARG HG2 1 1
3 796 1 1 8 ARG HG3 H -1.376 -0.470 6.210 1.00 . A A . 8 ARG HG3 1 1
3 797 1 1 8 ARG HH11 H -3.775 1.013 9.373 1.00 . A A . 8 ARG HH11 1 1
3 798 1 1 8 ARG HH12 H -5.303 2.000 9.684 1.00 . A A . 8 ARG HH12 1 1
3 799 1 1 8 ARG HH21 H -4.797 3.695 6.793 1.00 . A A . 8 ARG HH21 1 1
3 800 1 1 8 ARG HH22 H -5.863 3.460 8.286 1.00 . A A . 8 ARG HH22 1 1
3 801 1 1 8 ARG N N 1.567 1.600 4.191 1.00 . A A . 8 ARG N 1 1
3 802 1 1 8 ARG NE N -3.209 2.108 7.250 1.00 . A A . 8 ARG NE 1 1
3 803 1 1 8 ARG NH1 N -4.475 1.724 9.160 1.00 . A A . 8 ARG NH1 1 1
3 804 1 1 8 ARG NH2 N -5.068 3.267 7.680 1.00 . A A . 8 ARG NH2 1 1
3 805 1 1 8 ARG O O -1.054 -0.318 2.869 1.00 . A A . 8 ARG O 1 1
3 806 1 1 9 LEU C C -0.782 1.144 0.236 1.00 . A A . 9 LEU C 1 1
3 807 1 1 9 LEU CA C -1.427 1.948 1.339 1.00 . A A . 9 LEU CA 1 1
3 808 1 1 9 LEU CB C -1.604 3.434 0.910 1.00 . A A . 9 LEU CB 1 1
3 809 1 1 9 LEU CD1 C -2.985 5.605 0.894 1.00 . A A . 9 LEU CD1 1 1
3 810 1 1 9 LEU CD2 C -4.019 3.450 1.668 1.00 . A A . 9 LEU CD2 1 1
3 811 1 1 9 LEU CG C -2.720 4.265 1.599 1.00 . A A . 9 LEU CG 1 1
3 812 1 1 9 LEU H H -0.149 2.690 2.968 1.00 . A A . 9 LEU H 1 1
3 813 1 1 9 LEU HA H -2.420 1.494 1.513 1.00 . A A . 9 LEU HA 1 1
3 814 1 1 9 LEU HB2 H -0.640 3.962 1.057 1.00 . A A . 9 LEU HB2 1 1
3 815 1 1 9 LEU HB3 H -1.774 3.465 -0.184 1.00 . A A . 9 LEU HB3 1 1
3 816 1 1 9 LEU HD11 H -2.043 6.157 0.717 1.00 . A A . 9 LEU HD11 1 1
3 817 1 1 9 LEU HD12 H -3.448 5.464 -0.100 1.00 . A A . 9 LEU HD12 1 1
3 818 1 1 9 LEU HD13 H -3.647 6.265 1.483 1.00 . A A . 9 LEU HD13 1 1
3 819 1 1 9 LEU HD21 H -3.859 2.458 2.132 1.00 . A A . 9 LEU HD21 1 1
3 820 1 1 9 LEU HD22 H -4.805 3.962 2.254 1.00 . A A . 9 LEU HD22 1 1
3 821 1 1 9 LEU HD23 H -4.435 3.262 0.660 1.00 . A A . 9 LEU HD23 1 1
3 822 1 1 9 LEU HG H -2.397 4.478 2.640 1.00 . A A . 9 LEU HG 1 1
3 823 1 1 9 LEU N N -0.658 1.863 2.577 1.00 . A A . 9 LEU N 1 1
3 824 1 1 9 LEU O O -1.446 0.649 -0.682 1.00 . A A . 9 LEU O 1 1
3 825 1 1 10 ALA C C 1.050 -1.205 -0.610 1.00 . A A . 10 ALA C 1 1
3 826 1 1 10 ALA CA C 1.284 0.283 -0.721 1.00 . A A . 10 ALA CA 1 1
3 827 1 1 10 ALA CB C 2.768 0.662 -0.569 1.00 . A A . 10 ALA CB 1 1
3 828 1 1 10 ALA H H 1.007 1.513 1.078 1.00 . A A . 10 ALA H 1 1
3 829 1 1 10 ALA HA H 0.923 0.603 -1.715 1.00 . A A . 10 ALA HA 1 1
3 830 1 1 10 ALA HB1 H 2.928 1.751 -0.691 1.00 . A A . 10 ALA HB1 1 1
3 831 1 1 10 ALA HB2 H 3.170 0.387 0.425 1.00 . A A . 10 ALA HB2 1 1
3 832 1 1 10 ALA HB3 H 3.401 0.164 -1.326 1.00 . A A . 10 ALA HB3 1 1
3 833 1 1 10 ALA N N 0.530 1.014 0.295 1.00 . A A . 10 ALA N 1 1
3 834 1 1 10 ALA O O 1.047 -1.942 -1.601 1.00 . A A . 10 ALA O 1 1
3 835 1 1 11 ALA C C -0.704 -3.533 0.325 1.00 . A A . 11 ALA C 1 1
3 836 1 1 11 ALA CA C 0.632 -3.091 0.873 1.00 . A A . 11 ALA CA 1 1
3 837 1 1 11 ALA CB C 0.753 -3.314 2.392 1.00 . A A . 11 ALA CB 1 1
3 838 1 1 11 ALA H H 0.901 -0.971 1.381 1.00 . A A . 11 ALA H 1 1
3 839 1 1 11 ALA HA H 1.415 -3.673 0.353 1.00 . A A . 11 ALA HA 1 1
3 840 1 1 11 ALA HB1 H 1.752 -3.020 2.771 1.00 . A A . 11 ALA HB1 1 1
3 841 1 1 11 ALA HB2 H 0.007 -2.728 2.961 1.00 . A A . 11 ALA HB2 1 1
3 842 1 1 11 ALA HB3 H 0.611 -4.376 2.665 1.00 . A A . 11 ALA HB3 1 1
3 843 1 1 11 ALA N N 0.867 -1.673 0.610 1.00 . A A . 11 ALA N 1 1
3 844 1 1 11 ALA O O -0.891 -4.682 -0.090 1.00 . A A . 11 ALA O 1 1
3 845 1 1 12 ARG C C -3.005 -3.048 -1.669 1.00 . A A . 12 ARG C 1 1
3 846 1 1 12 ARG CA C -3.008 -2.914 -0.165 1.00 . A A . 12 ARG CA 1 1
3 847 1 1 12 ARG CB C -3.954 -1.771 0.297 1.00 . A A . 12 ARG CB 1 1
3 848 1 1 12 ARG CD C -6.149 -2.986 0.838 1.00 . A A . 12 ARG CD 1 1
3 849 1 1 12 ARG CG C -5.451 -1.957 -0.060 1.00 . A A . 12 ARG CG 1 1
3 850 1 1 12 ARG CZ C -7.929 -1.546 1.851 1.00 . A A . 12 ARG CZ 1 1
3 851 1 1 12 ARG H H -1.398 -1.672 0.660 1.00 . A A . 12 ARG H 1 1
3 852 1 1 12 ARG HA H -3.341 -3.878 0.260 1.00 . A A . 12 ARG HA 1 1
3 853 1 1 12 ARG HB2 H -3.836 -1.618 1.390 1.00 . A A . 12 ARG HB2 1 1
3 854 1 1 12 ARG HB3 H -3.611 -0.811 -0.149 1.00 . A A . 12 ARG HB3 1 1
3 855 1 1 12 ARG HD2 H -6.137 -3.987 0.359 1.00 . A A . 12 ARG HD2 1 1
3 856 1 1 12 ARG HD3 H -5.624 -3.086 1.809 1.00 . A A . 12 ARG HD3 1 1
3 857 1 1 12 ARG HE H -8.285 -3.046 0.548 1.00 . A A . 12 ARG HE 1 1
3 858 1 1 12 ARG HG2 H -6.002 -0.996 0.019 1.00 . A A . 12 ARG HG2 1 1
3 859 1 1 12 ARG HG3 H -5.557 -2.262 -1.121 1.00 . A A . 12 ARG HG3 1 1
3 860 1 1 12 ARG HH11 H -6.151 -1.169 2.537 1.00 . A A . 12 ARG HH11 1 1
3 861 1 1 12 ARG HH12 H -7.534 -0.133 3.186 1.00 . A A . 12 ARG HH12 1 1
3 862 1 1 12 ARG HH21 H -9.723 -1.837 1.238 1.00 . A A . 12 ARG HH21 1 1
3 863 1 1 12 ARG HH22 H -9.476 -0.481 2.472 1.00 . A A . 12 ARG HH22 1 1
3 864 1 1 12 ARG N N -1.663 -2.628 0.331 1.00 . A A . 12 ARG N 1 1
3 865 1 1 12 ARG NE N -7.549 -2.538 1.057 1.00 . A A . 12 ARG NE 1 1
3 866 1 1 12 ARG NH1 N -7.122 -0.867 2.612 1.00 . A A . 12 ARG NH1 1 1
3 867 1 1 12 ARG NH2 N -9.178 -1.242 1.865 1.00 . A A . 12 ARG NH2 1 1
3 868 1 1 12 ARG O O -3.537 -3.998 -2.251 1.00 . A A . 12 ARG O 1 1
3 869 1 1 13 LEU C C -1.521 -3.378 -4.208 1.00 . A A . 13 LEU C 1 1
3 870 1 1 13 LEU CA C -2.219 -2.110 -3.775 1.00 . A A . 13 LEU CA 1 1
3 871 1 1 13 LEU CB C -1.431 -0.857 -4.255 1.00 . A A . 13 LEU CB 1 1
3 872 1 1 13 LEU CD1 C -1.670 -1.143 -6.758 1.00 . A A . 13 LEU CD1 1 1
3 873 1 1 13 LEU CD2 C 0.198 0.291 -5.883 1.00 . A A . 13 LEU CD2 1 1
3 874 1 1 13 LEU CG C -0.674 -0.945 -5.607 1.00 . A A . 13 LEU CG 1 1
3 875 1 1 13 LEU H H -2.025 -1.293 -1.739 1.00 . A A . 13 LEU H 1 1
3 876 1 1 13 LEU HA H -3.215 -2.128 -4.253 1.00 . A A . 13 LEU HA 1 1
3 877 1 1 13 LEU HB2 H -2.130 0.002 -4.307 1.00 . A A . 13 LEU HB2 1 1
3 878 1 1 13 LEU HB3 H -0.704 -0.577 -3.468 1.00 . A A . 13 LEU HB3 1 1
3 879 1 1 13 LEU HD11 H -2.288 -2.050 -6.616 1.00 . A A . 13 LEU HD11 1 1
3 880 1 1 13 LEU HD12 H -2.364 -0.288 -6.864 1.00 . A A . 13 LEU HD12 1 1
3 881 1 1 13 LEU HD13 H -1.152 -1.265 -7.728 1.00 . A A . 13 LEU HD13 1 1
3 882 1 1 13 LEU HD21 H -0.385 1.230 -5.856 1.00 . A A . 13 LEU HD21 1 1
3 883 1 1 13 LEU HD22 H 1.008 0.385 -5.136 1.00 . A A . 13 LEU HD22 1 1
3 884 1 1 13 LEU HD23 H 0.697 0.233 -6.868 1.00 . A A . 13 LEU HD23 1 1
3 885 1 1 13 LEU HG H -0.012 -1.836 -5.573 1.00 . A A . 13 LEU HG 1 1
3 886 1 1 13 LEU N N -2.404 -2.073 -2.327 1.00 . A A . 13 LEU N 1 1
3 887 1 1 13 LEU O O -1.743 -3.902 -5.305 1.00 . A A . 13 LEU O 1 1
3 888 1 1 14 GLU C C -0.748 -6.303 -3.679 1.00 . A A . 14 GLU C 1 1
3 889 1 1 14 GLU CA C 0.135 -5.077 -3.659 1.00 . A A . 14 GLU CA 1 1
3 890 1 1 14 GLU CB C 1.263 -5.216 -2.595 1.00 . A A . 14 GLU CB 1 1
3 891 1 1 14 GLU CD C 3.314 -6.637 -1.680 1.00 . A A . 14 GLU CD 1 1
3 892 1 1 14 GLU CG C 2.343 -6.323 -2.822 1.00 . A A . 14 GLU CG 1 1
3 893 1 1 14 GLU H H -0.534 -3.367 -2.456 1.00 . A A . 14 GLU H 1 1
3 894 1 1 14 GLU HA H 0.589 -4.958 -4.657 1.00 . A A . 14 GLU HA 1 1
3 895 1 1 14 GLU HB2 H 1.762 -4.234 -2.483 1.00 . A A . 14 GLU HB2 1 1
3 896 1 1 14 GLU HB3 H 0.785 -5.388 -1.611 1.00 . A A . 14 GLU HB3 1 1
3 897 1 1 14 GLU HG2 H 1.859 -7.278 -3.098 1.00 . A A . 14 GLU HG2 1 1
3 898 1 1 14 GLU HG3 H 2.961 -6.067 -3.703 1.00 . A A . 14 GLU HG3 1 1
3 899 1 1 14 GLU N N -0.647 -3.881 -3.357 1.00 . A A . 14 GLU N 1 1
3 900 1 1 14 GLU O O -0.660 -7.168 -4.554 1.00 . A A . 14 GLU O 1 1
3 901 1 1 14 GLU OE1 O 3.142 -6.244 -0.533 1.00 . A A . 14 GLU OE1 1 1
3 902 1 1 14 GLU OE2 O 4.381 -7.392 -2.060 1.00 . A A . 14 GLU OE2 1 1
3 903 1 1 15 ALA C C -3.427 -7.700 -3.693 1.00 . A A . 15 ALA C 1 1
3 904 1 1 15 ALA CA C -2.486 -7.555 -2.521 1.00 . A A . 15 ALA CA 1 1
3 905 1 1 15 ALA CB C -3.228 -7.402 -1.180 1.00 . A A . 15 ALA CB 1 1
3 906 1 1 15 ALA H H -1.685 -5.562 -2.060 1.00 . A A . 15 ALA H 1 1
3 907 1 1 15 ALA HA H -1.849 -8.458 -2.486 1.00 . A A . 15 ALA HA 1 1
3 908 1 1 15 ALA HB1 H -2.524 -7.335 -0.328 1.00 . A A . 15 ALA HB1 1 1
3 909 1 1 15 ALA HB2 H -3.856 -6.491 -1.152 1.00 . A A . 15 ALA HB2 1 1
3 910 1 1 15 ALA HB3 H -3.892 -8.262 -0.976 1.00 . A A . 15 ALA HB3 1 1
3 911 1 1 15 ALA N N -1.621 -6.391 -2.691 1.00 . A A . 15 ALA N 1 1
3 912 1 1 15 ALA O O -3.761 -8.804 -4.136 1.00 . A A . 15 ALA O 1 1
3 913 1 1 16 LEU C C -4.239 -6.862 -6.628 1.00 . A A . 16 LEU C 1 1
3 914 1 1 16 LEU CA C -4.863 -6.552 -5.288 1.00 . A A . 16 LEU CA 1 1
3 915 1 1 16 LEU CB C -5.596 -5.180 -5.323 1.00 . A A . 16 LEU CB 1 1
3 916 1 1 16 LEU CD1 C -6.250 -3.220 -3.790 1.00 . A A . 16 LEU CD1 1 1
3 917 1 1 16 LEU CD2 C -7.845 -5.125 -4.164 1.00 . A A . 16 LEU CD2 1 1
3 918 1 1 16 LEU CG C -6.366 -4.731 -4.051 1.00 . A A . 16 LEU CG 1 1
3 919 1 1 16 LEU H H -3.491 -5.692 -3.801 1.00 . A A . 16 LEU H 1 1
3 920 1 1 16 LEU HA H -5.595 -7.357 -5.094 1.00 . A A . 16 LEU HA 1 1
3 921 1 1 16 LEU HB2 H -4.859 -4.391 -5.575 1.00 . A A . 16 LEU HB2 1 1
3 922 1 1 16 LEU HB3 H -6.303 -5.182 -6.175 1.00 . A A . 16 LEU HB3 1 1
3 923 1 1 16 LEU HD11 H -5.197 -2.886 -3.830 1.00 . A A . 16 LEU HD11 1 1
3 924 1 1 16 LEU HD12 H -6.789 -2.627 -4.551 1.00 . A A . 16 LEU HD12 1 1
3 925 1 1 16 LEU HD13 H -6.647 -2.935 -2.798 1.00 . A A . 16 LEU HD13 1 1
3 926 1 1 16 LEU HD21 H -7.969 -6.200 -4.395 1.00 . A A . 16 LEU HD21 1 1
3 927 1 1 16 LEU HD22 H -8.405 -4.925 -3.231 1.00 . A A . 16 LEU HD22 1 1
3 928 1 1 16 LEU HD23 H -8.354 -4.569 -4.974 1.00 . A A . 16 LEU HD23 1 1
3 929 1 1 16 LEU HG H -5.937 -5.268 -3.180 1.00 . A A . 16 LEU HG 1 1
3 930 1 1 16 LEU N N -3.864 -6.572 -4.223 1.00 . A A . 16 LEU N 1 1
3 931 1 1 16 LEU O O -4.831 -7.524 -7.487 1.00 . A A . 16 LEU O 1 1
3 932 1 1 17 LYS C C -1.744 -7.889 -8.337 1.00 . A A . 17 LYS C 1 1
3 933 1 1 17 LYS CA C -2.340 -6.518 -8.111 1.00 . A A . 17 LYS CA 1 1
3 934 1 1 17 LYS CB C -1.234 -5.425 -8.202 1.00 . A A . 17 LYS CB 1 1
3 935 1 1 17 LYS CD C 1.220 -4.801 -7.632 1.00 . A A . 17 LYS CD 1 1
3 936 1 1 17 LYS CE C 2.349 -5.186 -6.667 1.00 . A A . 17 LYS CE 1 1
3 937 1 1 17 LYS CG C 0.104 -5.847 -7.548 1.00 . A A . 17 LYS CG 1 1
3 938 1 1 17 LYS H H -2.577 -5.913 -6.011 1.00 . A A . 17 LYS H 1 1
3 939 1 1 17 LYS HA H -3.089 -6.353 -8.909 1.00 . A A . 17 LYS HA 1 1
3 940 1 1 17 LYS HB2 H -1.055 -5.167 -9.265 1.00 . A A . 17 LYS HB2 1 1
3 941 1 1 17 LYS HB3 H -1.603 -4.487 -7.738 1.00 . A A . 17 LYS HB3 1 1
3 942 1 1 17 LYS HD2 H 1.586 -4.726 -8.674 1.00 . A A . 17 LYS HD2 1 1
3 943 1 1 17 LYS HD3 H 0.817 -3.801 -7.370 1.00 . A A . 17 LYS HD3 1 1
3 944 1 1 17 LYS HE2 H 2.725 -4.290 -6.131 1.00 . A A . 17 LYS HE2 1 1
3 945 1 1 17 LYS HE3 H 1.984 -5.878 -5.879 1.00 . A A . 17 LYS HE3 1 1
3 946 1 1 17 LYS HG2 H -0.045 -6.058 -6.472 1.00 . A A . 17 LYS HG2 1 1
3 947 1 1 17 LYS HG3 H 0.449 -6.803 -7.991 1.00 . A A . 17 LYS HG3 1 1
3 948 1 1 17 LYS HZ1 H 3.077 -6.174 -8.323 1.00 . A A . 17 LYS HZ1 1 1
3 949 1 1 17 LYS HZ2 H 4.189 -5.145 -7.593 1.00 . A A . 17 LYS HZ2 1 1
3 950 1 1 17 LYS HZ3 H 3.814 -6.620 -6.878 1.00 . A A . 17 LYS HZ3 1 1
3 951 1 1 17 LYS N N -3.021 -6.394 -6.824 1.00 . A A . 17 LYS N 1 1
3 952 1 1 17 LYS NZ N 3.439 -5.830 -7.422 1.00 . A A . 17 LYS NZ 1 1
3 953 1 1 17 LYS O O -1.044 -8.120 -9.337 1.00 . A A . 17 LYS O 1 1
3 954 1 1 18 GLU C C -1.907 -10.724 -8.976 1.00 . A A . 18 GLU C 1 1
3 955 1 1 18 GLU CA C -1.551 -10.205 -7.604 1.00 . A A . 18 GLU CA 1 1
3 956 1 1 18 GLU CB C -2.205 -11.060 -6.478 1.00 . A A . 18 GLU CB 1 1
3 957 1 1 18 GLU CD C -3.225 -13.502 -6.236 1.00 . A A . 18 GLU CD 1 1
3 958 1 1 18 GLU CG C -2.020 -12.610 -6.548 1.00 . A A . 18 GLU CG 1 1
3 959 1 1 18 GLU H H -2.418 -8.487 -6.542 1.00 . A A . 18 GLU H 1 1
3 960 1 1 18 GLU HA H -0.452 -10.252 -7.503 1.00 . A A . 18 GLU HA 1 1
3 961 1 1 18 GLU HB2 H -1.834 -10.691 -5.501 1.00 . A A . 18 GLU HB2 1 1
3 962 1 1 18 GLU HB3 H -3.289 -10.833 -6.457 1.00 . A A . 18 GLU HB3 1 1
3 963 1 1 18 GLU HG2 H -1.664 -12.899 -7.555 1.00 . A A . 18 GLU HG2 1 1
3 964 1 1 18 GLU HG3 H -1.204 -12.928 -5.871 1.00 . A A . 18 GLU HG3 1 1
3 965 1 1 18 GLU N N -1.974 -8.816 -7.428 1.00 . A A . 18 GLU N 1 1
3 966 1 1 18 GLU O O -1.074 -10.756 -9.894 1.00 . A A . 18 GLU O 1 1
3 967 1 1 18 GLU OE1 O -4.078 -13.782 -7.067 1.00 . A A . 18 GLU OE1 1 1
3 968 1 1 18 GLU OE2 O -3.256 -13.951 -4.951 1.00 . A A . 18 GLU OE2 1 1
3 969 1 1 19 ASN C C -3.388 -10.515 -11.496 1.00 . A A . 19 ASN C 1 1
3 970 1 1 19 ASN CA C -3.636 -11.581 -10.456 1.00 . A A . 19 ASN CA 1 1
3 971 1 1 19 ASN CB C -5.154 -11.913 -10.359 1.00 . A A . 19 ASN CB 1 1
3 972 1 1 19 ASN CG C -5.527 -13.339 -9.940 1.00 . A A . 19 ASN CG 1 1
3 973 1 1 19 ASN H H -3.725 -11.231 -8.286 1.00 . A A . 19 ASN H 1 1
3 974 1 1 19 ASN HA H -3.074 -12.480 -10.769 1.00 . A A . 19 ASN HA 1 1
3 975 1 1 19 ASN HB2 H -5.635 -11.231 -9.631 1.00 . A A . 19 ASN HB2 1 1
3 976 1 1 19 ASN HB3 H -5.659 -11.690 -11.317 1.00 . A A . 19 ASN HB3 1 1
3 977 1 1 19 ASN HD21 H -4.291 -14.123 -11.288 1.00 . A A . 19 ASN HD21 1 1
3 978 1 1 19 ASN HD22 H -5.305 -15.247 -10.229 1.00 . A A . 19 ASN HD22 1 1
3 979 1 1 19 ASN N N -3.141 -11.159 -9.148 1.00 . A A . 19 ASN N 1 1
3 980 1 1 19 ASN ND2 N -4.927 -14.342 -10.521 1.00 . A A . 19 ASN ND2 1 1
3 981 1 1 19 ASN O O -2.663 -10.713 -12.476 1.00 . A A . 19 ASN O 1 1
3 982 1 1 19 ASN OD1 O -6.365 -13.569 -9.080 1.00 . A A . 19 ASN OD1 1 1
3 983 1 1 20 GLY C C -4.982 -7.950 -13.039 1.00 . A A . 20 GLY C 1 1
3 984 1 1 20 GLY CA C -3.774 -8.210 -12.170 1.00 . A A . 20 GLY CA 1 1
3 985 1 1 20 GLY H H -4.658 -9.323 -10.492 1.00 . A A . 20 GLY H 1 1
3 986 1 1 20 GLY HA2 H -3.560 -7.308 -11.568 1.00 . A A . 20 GLY HA2 1 1
3 987 1 1 20 GLY HA3 H -2.893 -8.382 -12.814 1.00 . A A . 20 GLY HA3 1 1
3 988 1 1 20 GLY N N -3.995 -9.359 -11.298 1.00 . A A . 20 GLY N 1 1
3 989 1 1 20 GLY O O -6.148 -8.322 -12.700 1.00 . A A . 20 GLY O 1 1
3 990 1 1 20 GLY OXT O -4.761 -7.338 -14.130 1.00 . A A . 20 GLY OXT 1 1
4 991 1 1 1 TYR C C 2.229 11.306 5.605 1.00 . A A . 1 TYR C 1 1
4 992 1 1 1 TYR CA C 1.018 10.819 4.844 1.00 . A A . 1 TYR CA 1 1
4 993 1 1 1 TYR CB C 0.866 11.696 3.567 1.00 . A A . 1 TYR CB 1 1
4 994 1 1 1 TYR CD1 C 2.810 10.474 2.464 1.00 . A A . 1 TYR CD1 1 1
4 995 1 1 1 TYR CD2 C 2.119 12.605 1.556 1.00 . A A . 1 TYR CD2 1 1
4 996 1 1 1 TYR CE1 C 3.825 10.402 1.513 1.00 . A A . 1 TYR CE1 1 1
4 997 1 1 1 TYR CE2 C 3.132 12.528 0.605 1.00 . A A . 1 TYR CE2 1 1
4 998 1 1 1 TYR CG C 1.966 11.587 2.505 1.00 . A A . 1 TYR CG 1 1
4 999 1 1 1 TYR CZ C 3.986 11.428 0.585 1.00 . A A . 1 TYR CZ 1 1
4 1000 1 1 1 TYR H1 H -0.095 11.672 6.341 1.00 . A A . 1 TYR H1 1 1
4 1001 1 1 1 TYR H2 H -1.006 11.047 5.073 1.00 . A A . 1 TYR H2 1 1
4 1002 1 1 1 TYR H3 H -0.297 10.010 6.190 1.00 . A A . 1 TYR H3 1 1
4 1003 1 1 1 TYR HA H 1.195 9.765 4.562 1.00 . A A . 1 TYR HA 1 1
4 1004 1 1 1 TYR HB2 H -0.096 11.459 3.067 1.00 . A A . 1 TYR HB2 1 1
4 1005 1 1 1 TYR HB3 H 0.743 12.759 3.864 1.00 . A A . 1 TYR HB3 1 1
4 1006 1 1 1 TYR HD1 H 2.701 9.679 3.188 1.00 . A A . 1 TYR HD1 1 1
4 1007 1 1 1 TYR HD2 H 1.466 13.467 1.573 1.00 . A A . 1 TYR HD2 1 1
4 1008 1 1 1 TYR HE1 H 4.487 9.549 1.489 1.00 . A A . 1 TYR HE1 1 1
4 1009 1 1 1 TYR HE2 H 3.245 13.324 -0.116 1.00 . A A . 1 TYR HE2 1 1
4 1010 1 1 1 TYR HH H 5.625 12.037 -0.167 1.00 . A A . 1 TYR HH 1 1
4 1011 1 1 1 TYR N N -0.183 10.893 5.672 1.00 . A A . 1 TYR N 1 1
4 1012 1 1 1 TYR O O 2.463 12.508 5.763 1.00 . A A . 1 TYR O 1 1
4 1013 1 1 1 TYR OH O 4.981 11.350 -0.348 1.00 . A A . 1 TYR OH 1 1
4 1014 1 1 2 SER C C 5.126 9.483 6.989 1.00 . A A . 2 SER C 1 1
4 1015 1 1 2 SER CA C 4.229 10.692 6.847 1.00 . A A . 2 SER CA 1 1
4 1016 1 1 2 SER CB C 3.855 11.288 8.227 1.00 . A A . 2 SER CB 1 1
4 1017 1 1 2 SER H H 2.746 9.383 5.884 1.00 . A A . 2 SER H 1 1
4 1018 1 1 2 SER HA H 4.802 11.448 6.278 1.00 . A A . 2 SER HA 1 1
4 1019 1 1 2 SER HB2 H 4.772 11.562 8.783 1.00 . A A . 2 SER HB2 1 1
4 1020 1 1 2 SER HB3 H 3.291 12.234 8.120 1.00 . A A . 2 SER HB3 1 1
4 1021 1 1 2 SER HG H 2.754 10.874 9.781 1.00 . A A . 2 SER HG 1 1
4 1022 1 1 2 SER N N 3.029 10.369 6.080 1.00 . A A . 2 SER N 1 1
4 1023 1 1 2 SER O O 5.554 9.119 8.088 1.00 . A A . 2 SER O 1 1
4 1024 1 1 2 SER OG O 3.100 10.375 9.037 1.00 . A A . 2 SER OG 1 1
4 1025 1 1 3 ASP C C 5.635 6.403 5.990 1.00 . A A . 3 ASP C 1 1
4 1026 1 1 3 ASP CA C 6.352 7.720 5.792 1.00 . A A . 3 ASP CA 1 1
4 1027 1 1 3 ASP CB C 7.538 7.882 6.782 1.00 . A A . 3 ASP CB 1 1
4 1028 1 1 3 ASP CG C 8.889 7.307 6.332 1.00 . A A . 3 ASP CG 1 1
4 1029 1 1 3 ASP H H 4.893 9.165 5.019 1.00 . A A . 3 ASP H 1 1
4 1030 1 1 3 ASP HA H 6.735 7.717 4.755 1.00 . A A . 3 ASP HA 1 1
4 1031 1 1 3 ASP HB2 H 7.699 8.943 7.038 1.00 . A A . 3 ASP HB2 1 1
4 1032 1 1 3 ASP HB3 H 7.279 7.399 7.744 1.00 . A A . 3 ASP HB3 1 1
4 1033 1 1 3 ASP N N 5.417 8.842 5.875 1.00 . A A . 3 ASP N 1 1
4 1034 1 1 3 ASP O O 5.393 5.632 5.054 1.00 . A A . 3 ASP O 1 1
4 1035 1 1 3 ASP OD1 O 9.431 7.621 5.283 1.00 . A A . 3 ASP OD1 1 1
4 1036 1 1 3 ASP OD2 O 9.399 6.396 7.216 1.00 . A A . 3 ASP OD2 1 1
4 1037 1 1 4 GLU C C 3.308 4.681 7.009 1.00 . A A . 4 GLU C 1 1
4 1038 1 1 4 GLU CA C 4.692 4.832 7.596 1.00 . A A . 4 GLU CA 1 1
4 1039 1 1 4 GLU CB C 4.656 4.730 9.148 1.00 . A A . 4 GLU CB 1 1
4 1040 1 1 4 GLU CD C 6.348 3.577 10.843 1.00 . A A . 4 GLU CD 1 1
4 1041 1 1 4 GLU CG C 6.029 4.738 9.898 1.00 . A A . 4 GLU CG 1 1
4 1042 1 1 4 GLU H H 5.452 6.868 7.934 1.00 . A A . 4 GLU H 1 1
4 1043 1 1 4 GLU HA H 5.320 4.018 7.186 1.00 . A A . 4 GLU HA 1 1
4 1044 1 1 4 GLU HB2 H 4.037 5.559 9.543 1.00 . A A . 4 GLU HB2 1 1
4 1045 1 1 4 GLU HB3 H 4.098 3.816 9.430 1.00 . A A . 4 GLU HB3 1 1
4 1046 1 1 4 GLU HG2 H 6.861 4.796 9.171 1.00 . A A . 4 GLU HG2 1 1
4 1047 1 1 4 GLU HG3 H 6.123 5.666 10.492 1.00 . A A . 4 GLU HG3 1 1
4 1048 1 1 4 GLU N N 5.296 6.112 7.232 1.00 . A A . 4 GLU N 1 1
4 1049 1 1 4 GLU O O 2.836 3.568 6.739 1.00 . A A . 4 GLU O 1 1
4 1050 1 1 4 GLU OE1 O 5.867 2.459 10.710 1.00 . A A . 4 GLU OE1 1 1
4 1051 1 1 4 GLU OE2 O 7.214 3.904 11.841 1.00 . A A . 4 GLU OE2 1 1
4 1052 1 1 5 LEU C C 1.152 5.577 4.862 1.00 . A A . 5 LEU C 1 1
4 1053 1 1 5 LEU CA C 1.234 5.769 6.357 1.00 . A A . 5 LEU CA 1 1
4 1054 1 1 5 LEU CB C 0.496 7.068 6.791 1.00 . A A . 5 LEU CB 1 1
4 1055 1 1 5 LEU CD1 C 0.875 8.697 8.690 1.00 . A A . 5 LEU CD1 1 1
4 1056 1 1 5 LEU CD2 C -1.170 7.242 8.745 1.00 . A A . 5 LEU CD2 1 1
4 1057 1 1 5 LEU CG C 0.303 7.324 8.311 1.00 . A A . 5 LEU CG 1 1
4 1058 1 1 5 LEU H H 3.108 6.680 7.066 1.00 . A A . 5 LEU H 1 1
4 1059 1 1 5 LEU HA H 0.732 4.893 6.808 1.00 . A A . 5 LEU HA 1 1
4 1060 1 1 5 LEU HB2 H 1.030 7.940 6.361 1.00 . A A . 5 LEU HB2 1 1
4 1061 1 1 5 LEU HB3 H -0.499 7.085 6.307 1.00 . A A . 5 LEU HB3 1 1
4 1062 1 1 5 LEU HD11 H 1.949 8.781 8.432 1.00 . A A . 5 LEU HD11 1 1
4 1063 1 1 5 LEU HD12 H 0.352 9.527 8.179 1.00 . A A . 5 LEU HD12 1 1
4 1064 1 1 5 LEU HD13 H 0.799 8.885 9.778 1.00 . A A . 5 LEU HD13 1 1
4 1065 1 1 5 LEU HD21 H -1.816 7.934 8.173 1.00 . A A . 5 LEU HD21 1 1
4 1066 1 1 5 LEU HD22 H -1.573 6.222 8.600 1.00 . A A . 5 LEU HD22 1 1
4 1067 1 1 5 LEU HD23 H -1.299 7.471 9.818 1.00 . A A . 5 LEU HD23 1 1
4 1068 1 1 5 LEU HG H 0.875 6.551 8.865 1.00 . A A . 5 LEU HG 1 1
4 1069 1 1 5 LEU N N 2.620 5.791 6.818 1.00 . A A . 5 LEU N 1 1
4 1070 1 1 5 LEU O O 0.199 4.992 4.332 1.00 . A A . 5 LEU O 1 1
4 1071 1 1 6 ARG C C 2.544 4.458 2.339 1.00 . A A . 6 ARG C 1 1
4 1072 1 1 6 ARG CA C 2.236 5.891 2.703 1.00 . A A . 6 ARG CA 1 1
4 1073 1 1 6 ARG CB C 3.323 6.858 2.151 1.00 . A A . 6 ARG CB 1 1
4 1074 1 1 6 ARG CD C 4.190 5.953 -0.089 1.00 . A A . 6 ARG CD 1 1
4 1075 1 1 6 ARG CG C 3.335 7.020 0.608 1.00 . A A . 6 ARG CG 1 1
4 1076 1 1 6 ARG CZ C 4.193 5.731 -2.580 1.00 . A A . 6 ARG CZ 1 1
4 1077 1 1 6 ARG H H 2.888 6.577 4.685 1.00 . A A . 6 ARG H 1 1
4 1078 1 1 6 ARG HA H 1.257 6.150 2.262 1.00 . A A . 6 ARG HA 1 1
4 1079 1 1 6 ARG HB2 H 3.197 7.857 2.610 1.00 . A A . 6 ARG HB2 1 1
4 1080 1 1 6 ARG HB3 H 4.317 6.514 2.504 1.00 . A A . 6 ARG HB3 1 1
4 1081 1 1 6 ARG HD2 H 5.230 6.315 -0.220 1.00 . A A . 6 ARG HD2 1 1
4 1082 1 1 6 ARG HD3 H 4.244 5.035 0.533 1.00 . A A . 6 ARG HD3 1 1
4 1083 1 1 6 ARG HE H 2.593 5.345 -1.412 1.00 . A A . 6 ARG HE 1 1
4 1084 1 1 6 ARG HG2 H 2.308 6.968 0.194 1.00 . A A . 6 ARG HG2 1 1
4 1085 1 1 6 ARG HG3 H 3.708 8.027 0.333 1.00 . A A . 6 ARG HG3 1 1
4 1086 1 1 6 ARG HH11 H 5.893 6.328 -1.854 1.00 . A A . 6 ARG HH11 1 1
4 1087 1 1 6 ARG HH12 H 5.792 6.126 -3.686 1.00 . A A . 6 ARG HH12 1 1
4 1088 1 1 6 ARG HH21 H 2.559 5.148 -3.398 1.00 . A A . 6 ARG HH21 1 1
4 1089 1 1 6 ARG HH22 H 3.982 5.484 -4.531 1.00 . A A . 6 ARG HH22 1 1
4 1090 1 1 6 ARG N N 2.152 6.061 4.151 1.00 . A A . 6 ARG N 1 1
4 1091 1 1 6 ARG NE N 3.578 5.648 -1.408 1.00 . A A . 6 ARG NE 1 1
4 1092 1 1 6 ARG NH1 N 5.430 6.101 -2.734 1.00 . A A . 6 ARG NH1 1 1
4 1093 1 1 6 ARG NH2 N 3.515 5.424 -3.629 1.00 . A A . 6 ARG NH2 1 1
4 1094 1 1 6 ARG O O 1.988 3.887 1.396 1.00 . A A . 6 ARG O 1 1
4 1095 1 1 7 GLN C C 2.684 1.534 3.195 1.00 . A A . 7 GLN C 1 1
4 1096 1 1 7 GLN CA C 3.834 2.462 2.881 1.00 . A A . 7 GLN CA 1 1
4 1097 1 1 7 GLN CB C 5.058 2.148 3.770 1.00 . A A . 7 GLN CB 1 1
4 1098 1 1 7 GLN CD C 5.787 0.719 5.907 1.00 . A A . 7 GLN CD 1 1
4 1099 1 1 7 GLN CG C 4.775 1.651 5.226 1.00 . A A . 7 GLN CG 1 1
4 1100 1 1 7 GLN H H 3.875 4.434 3.844 1.00 . A A . 7 GLN H 1 1
4 1101 1 1 7 GLN HA H 4.100 2.321 1.818 1.00 . A A . 7 GLN HA 1 1
4 1102 1 1 7 GLN HB2 H 5.686 1.387 3.256 1.00 . A A . 7 GLN HB2 1 1
4 1103 1 1 7 GLN HB3 H 5.700 3.057 3.819 1.00 . A A . 7 GLN HB3 1 1
4 1104 1 1 7 GLN HE21 H 6.148 -0.234 4.219 1.00 . A A . 7 GLN HE21 1 1
4 1105 1 1 7 GLN HE22 H 7.073 -0.765 5.731 1.00 . A A . 7 GLN HE22 1 1
4 1106 1 1 7 GLN HG2 H 4.694 2.513 5.915 1.00 . A A . 7 GLN HG2 1 1
4 1107 1 1 7 GLN HG3 H 3.785 1.161 5.283 1.00 . A A . 7 GLN HG3 1 1
4 1108 1 1 7 GLN N N 3.458 3.860 3.078 1.00 . A A . 7 GLN N 1 1
4 1109 1 1 7 GLN NE2 N 6.420 -0.184 5.202 1.00 . A A . 7 GLN NE2 1 1
4 1110 1 1 7 GLN O O 2.588 0.417 2.672 1.00 . A A . 7 GLN O 1 1
4 1111 1 1 7 GLN OE1 O 6.032 0.817 7.099 1.00 . A A . 7 GLN OE1 1 1
4 1112 1 1 8 ARG C C -0.313 1.143 3.161 1.00 . A A . 8 ARG C 1 1
4 1113 1 1 8 ARG CA C 0.578 1.228 4.377 1.00 . A A . 8 ARG CA 1 1
4 1114 1 1 8 ARG CB C -0.146 1.932 5.559 1.00 . A A . 8 ARG CB 1 1
4 1115 1 1 8 ARG CD C -2.242 2.095 7.031 1.00 . A A . 8 ARG CD 1 1
4 1116 1 1 8 ARG CG C -1.420 1.218 6.077 1.00 . A A . 8 ARG CG 1 1
4 1117 1 1 8 ARG CZ C -4.738 2.233 7.074 1.00 . A A . 8 ARG CZ 1 1
4 1118 1 1 8 ARG H H 1.986 2.910 4.488 1.00 . A A . 8 ARG H 1 1
4 1119 1 1 8 ARG HA H 0.858 0.198 4.667 1.00 . A A . 8 ARG HA 1 1
4 1120 1 1 8 ARG HB2 H 0.574 2.086 6.389 1.00 . A A . 8 ARG HB2 1 1
4 1121 1 1 8 ARG HB3 H -0.425 2.965 5.248 1.00 . A A . 8 ARG HB3 1 1
4 1122 1 1 8 ARG HD2 H -2.337 1.604 8.021 1.00 . A A . 8 ARG HD2 1 1
4 1123 1 1 8 ARG HD3 H -1.731 3.065 7.198 1.00 . A A . 8 ARG HD3 1 1
4 1124 1 1 8 ARG HE H -3.617 2.547 5.426 1.00 . A A . 8 ARG HE 1 1
4 1125 1 1 8 ARG HG2 H -2.075 0.912 5.235 1.00 . A A . 8 ARG HG2 1 1
4 1126 1 1 8 ARG HG3 H -1.148 0.272 6.589 1.00 . A A . 8 ARG HG3 1 1
4 1127 1 1 8 ARG HH11 H -3.958 1.783 8.795 1.00 . A A . 8 ARG HH11 1 1
4 1128 1 1 8 ARG HH12 H -5.798 1.911 8.719 1.00 . A A . 8 ARG HH12 1 1
4 1129 1 1 8 ARG HH21 H -5.608 2.674 5.423 1.00 . A A . 8 ARG HH21 1 1
4 1130 1 1 8 ARG HH22 H -6.701 2.396 6.889 1.00 . A A . 8 ARG HH22 1 1
4 1131 1 1 8 ARG N N 1.798 1.972 4.068 1.00 . A A . 8 ARG N 1 1
4 1132 1 1 8 ARG NE N -3.582 2.313 6.429 1.00 . A A . 8 ARG NE 1 1
4 1133 1 1 8 ARG NH1 N -4.855 1.943 8.336 1.00 . A A . 8 ARG NH1 1 1
4 1134 1 1 8 ARG NH2 N -5.810 2.457 6.401 1.00 . A A . 8 ARG NH2 1 1
4 1135 1 1 8 ARG O O -0.917 0.111 2.852 1.00 . A A . 8 ARG O 1 1
4 1136 1 1 9 LEU C C -0.474 1.423 0.130 1.00 . A A . 9 LEU C 1 1
4 1137 1 1 9 LEU CA C -1.129 2.295 1.175 1.00 . A A . 9 LEU CA 1 1
4 1138 1 1 9 LEU CB C -1.252 3.762 0.673 1.00 . A A . 9 LEU CB 1 1
4 1139 1 1 9 LEU CD1 C -3.340 5.004 -0.040 1.00 . A A . 9 LEU CD1 1 1
4 1140 1 1 9 LEU CD2 C -3.322 3.864 2.198 1.00 . A A . 9 LEU CD2 1 1
4 1141 1 1 9 LEU CG C -2.466 4.601 1.157 1.00 . A A . 9 LEU CG 1 1
4 1142 1 1 9 LEU H H 0.127 3.075 2.804 1.00 . A A . 9 LEU H 1 1
4 1143 1 1 9 LEU HA H -2.138 1.875 1.339 1.00 . A A . 9 LEU HA 1 1
4 1144 1 1 9 LEU HB2 H -0.326 4.309 0.944 1.00 . A A . 9 LEU HB2 1 1
4 1145 1 1 9 LEU HB3 H -1.255 3.754 -0.435 1.00 . A A . 9 LEU HB3 1 1
4 1146 1 1 9 LEU HD11 H -2.766 5.576 -0.794 1.00 . A A . 9 LEU HD11 1 1
4 1147 1 1 9 LEU HD12 H -3.774 4.127 -0.556 1.00 . A A . 9 LEU HD12 1 1
4 1148 1 1 9 LEU HD13 H -4.183 5.650 0.270 1.00 . A A . 9 LEU HD13 1 1
4 1149 1 1 9 LEU HD21 H -3.683 2.886 1.829 1.00 . A A . 9 LEU HD21 1 1
4 1150 1 1 9 LEU HD22 H -2.750 3.674 3.126 1.00 . A A . 9 LEU HD22 1 1
4 1151 1 1 9 LEU HD23 H -4.206 4.455 2.501 1.00 . A A . 9 LEU HD23 1 1
4 1152 1 1 9 LEU HG H -2.077 5.532 1.621 1.00 . A A . 9 LEU HG 1 1
4 1153 1 1 9 LEU N N -0.400 2.248 2.440 1.00 . A A . 9 LEU N 1 1
4 1154 1 1 9 LEU O O -1.117 0.942 -0.810 1.00 . A A . 9 LEU O 1 1
4 1155 1 1 10 ALA C C 1.237 -1.088 -0.458 1.00 . A A . 10 ALA C 1 1
4 1156 1 1 10 ALA CA C 1.577 0.369 -0.658 1.00 . A A . 10 ALA CA 1 1
4 1157 1 1 10 ALA CB C 3.074 0.662 -0.451 1.00 . A A . 10 ALA CB 1 1
4 1158 1 1 10 ALA H H 1.294 1.741 1.033 1.00 . A A . 10 ALA H 1 1
4 1159 1 1 10 ALA HA H 1.290 0.641 -1.690 1.00 . A A . 10 ALA HA 1 1
4 1160 1 1 10 ALA HB1 H 3.313 1.727 -0.638 1.00 . A A . 10 ALA HB1 1 1
4 1161 1 1 10 ALA HB2 H 3.406 0.434 0.581 1.00 . A A . 10 ALA HB2 1 1
4 1162 1 1 10 ALA HB3 H 3.709 0.071 -1.136 1.00 . A A . 10 ALA HB3 1 1
4 1163 1 1 10 ALA N N 0.823 1.218 0.262 1.00 . A A . 10 ALA N 1 1
4 1164 1 1 10 ALA O O 1.266 -1.899 -1.391 1.00 . A A . 10 ALA O 1 1
4 1165 1 1 11 ALA C C -0.711 -3.261 0.549 1.00 . A A . 11 ALA C 1 1
4 1166 1 1 11 ALA CA C 0.620 -2.836 1.122 1.00 . A A . 11 ALA CA 1 1
4 1167 1 1 11 ALA CB C 0.669 -2.957 2.657 1.00 . A A . 11 ALA CB 1 1
4 1168 1 1 11 ALA H H 0.961 -0.698 1.495 1.00 . A A . 11 ALA H 1 1
4 1169 1 1 11 ALA HA H 1.397 -3.484 0.678 1.00 . A A . 11 ALA HA 1 1
4 1170 1 1 11 ALA HB1 H 1.664 -2.678 3.058 1.00 . A A . 11 ALA HB1 1 1
4 1171 1 1 11 ALA HB2 H -0.073 -2.302 3.151 1.00 . A A . 11 ALA HB2 1 1
4 1172 1 1 11 ALA HB3 H 0.470 -3.990 2.995 1.00 . A A . 11 ALA HB3 1 1
4 1173 1 1 11 ALA N N 0.927 -1.450 0.772 1.00 . A A . 11 ALA N 1 1
4 1174 1 1 11 ALA O O -0.930 -4.426 0.202 1.00 . A A . 11 ALA O 1 1
4 1175 1 1 12 ARG C C -2.762 -2.770 -1.686 1.00 . A A . 12 ARG C 1 1
4 1176 1 1 12 ARG CA C -2.919 -2.555 -0.199 1.00 . A A . 12 ARG CA 1 1
4 1177 1 1 12 ARG CB C -3.841 -1.341 0.102 1.00 . A A . 12 ARG CB 1 1
4 1178 1 1 12 ARG CD C -6.203 -2.210 0.605 1.00 . A A . 12 ARG CD 1 1
4 1179 1 1 12 ARG CG C -5.304 -1.470 -0.395 1.00 . A A . 12 ARG CG 1 1
4 1180 1 1 12 ARG CZ C -8.295 -2.663 -0.687 1.00 . A A . 12 ARG CZ 1 1
4 1181 1 1 12 ARG H H -1.340 -1.357 0.744 1.00 . A A . 12 ARG H 1 1
4 1182 1 1 12 ARG HA H -3.351 -3.476 0.233 1.00 . A A . 12 ARG HA 1 1
4 1183 1 1 12 ARG HB2 H -3.825 -1.131 1.191 1.00 . A A . 12 ARG HB2 1 1
4 1184 1 1 12 ARG HB3 H -3.396 -0.427 -0.354 1.00 . A A . 12 ARG HB3 1 1
4 1185 1 1 12 ARG HD2 H -5.976 -3.296 0.596 1.00 . A A . 12 ARG HD2 1 1
4 1186 1 1 12 ARG HD3 H -6.015 -1.848 1.636 1.00 . A A . 12 ARG HD3 1 1
4 1187 1 1 12 ARG HE H -8.114 -1.208 0.699 1.00 . A A . 12 ARG HE 1 1
4 1188 1 1 12 ARG HG2 H -5.749 -0.471 -0.586 1.00 . A A . 12 ARG HG2 1 1
4 1189 1 1 12 ARG HG3 H -5.335 -1.991 -1.373 1.00 . A A . 12 ARG HG3 1 1
4 1190 1 1 12 ARG HH11 H -6.834 -3.861 -1.137 1.00 . A A . 12 ARG HH11 1 1
4 1191 1 1 12 ARG HH12 H -8.416 -4.090 -2.059 1.00 . A A . 12 ARG HH12 1 1
4 1192 1 1 12 ARG HH21 H -9.817 -1.569 -0.278 1.00 . A A . 12 ARG HH21 1 1
4 1193 1 1 12 ARG HH22 H -10.033 -2.825 -1.620 1.00 . A A . 12 ARG HH22 1 1
4 1194 1 1 12 ARG N N -1.619 -2.313 0.425 1.00 . A A . 12 ARG N 1 1
4 1195 1 1 12 ARG NE N -7.618 -1.973 0.221 1.00 . A A . 12 ARG NE 1 1
4 1196 1 1 12 ARG NH1 N -7.803 -3.650 -1.376 1.00 . A A . 12 ARG NH1 1 1
4 1197 1 1 12 ARG NH2 N -9.519 -2.327 -0.896 1.00 . A A . 12 ARG NH2 1 1
4 1198 1 1 12 ARG O O -3.323 -3.689 -2.290 1.00 . A A . 12 ARG O 1 1
4 1199 1 1 13 LEU C C -1.045 -3.379 -4.016 1.00 . A A . 13 LEU C 1 1
4 1200 1 1 13 LEU CA C -1.642 -2.023 -3.719 1.00 . A A . 13 LEU CA 1 1
4 1201 1 1 13 LEU CB C -0.663 -0.889 -4.140 1.00 . A A . 13 LEU CB 1 1
4 1202 1 1 13 LEU CD1 C -0.547 -1.118 -6.701 1.00 . A A . 13 LEU CD1 1 1
4 1203 1 1 13 LEU CD2 C 1.356 -0.077 -5.433 1.00 . A A . 13 LEU CD2 1 1
4 1204 1 1 13 LEU CG C 0.240 -1.129 -5.380 1.00 . A A . 13 LEU CG 1 1
4 1205 1 1 13 LEU H H -1.672 -1.081 -1.729 1.00 . A A . 13 LEU H 1 1
4 1206 1 1 13 LEU HA H -2.569 -1.956 -4.317 1.00 . A A . 13 LEU HA 1 1
4 1207 1 1 13 LEU HB2 H -1.247 0.037 -4.315 1.00 . A A . 13 LEU HB2 1 1
4 1208 1 1 13 LEU HB3 H -0.012 -0.649 -3.278 1.00 . A A . 13 LEU HB3 1 1
4 1209 1 1 13 LEU HD11 H -1.435 -1.774 -6.644 1.00 . A A . 13 LEU HD11 1 1
4 1210 1 1 13 LEU HD12 H -0.928 -0.109 -6.946 1.00 . A A . 13 LEU HD12 1 1
4 1211 1 1 13 LEU HD13 H 0.063 -1.463 -7.556 1.00 . A A . 13 LEU HD13 1 1
4 1212 1 1 13 LEU HD21 H 1.920 -0.026 -4.482 1.00 . A A . 13 LEU HD21 1 1
4 1213 1 1 13 LEU HD22 H 2.090 -0.283 -6.236 1.00 . A A . 13 LEU HD22 1 1
4 1214 1 1 13 LEU HD23 H 0.952 0.937 -5.615 1.00 . A A . 13 LEU HD23 1 1
4 1215 1 1 13 LEU HG H 0.718 -2.126 -5.269 1.00 . A A . 13 LEU HG 1 1
4 1216 1 1 13 LEU N N -1.992 -1.893 -2.308 1.00 . A A . 13 LEU N 1 1
4 1217 1 1 13 LEU O O -1.198 -3.933 -5.109 1.00 . A A . 13 LEU O 1 1
4 1218 1 1 14 GLU C C -0.562 -6.347 -3.331 1.00 . A A . 14 GLU C 1 1
4 1219 1 1 14 GLU CA C 0.393 -5.181 -3.228 1.00 . A A . 14 GLU CA 1 1
4 1220 1 1 14 GLU CB C 1.370 -5.364 -2.029 1.00 . A A . 14 GLU CB 1 1
4 1221 1 1 14 GLU CD C 3.320 -6.776 -0.905 1.00 . A A . 14 GLU CD 1 1
4 1222 1 1 14 GLU CG C 2.399 -6.539 -2.104 1.00 . A A . 14 GLU CG 1 1
4 1223 1 1 14 GLU H H -0.292 -3.395 -2.153 1.00 . A A . 14 GLU H 1 1
4 1224 1 1 14 GLU HA H 0.974 -5.120 -4.163 1.00 . A A . 14 GLU HA 1 1
4 1225 1 1 14 GLU HB2 H 1.913 -4.411 -1.873 1.00 . A A . 14 GLU HB2 1 1
4 1226 1 1 14 GLU HB3 H 0.764 -5.481 -1.110 1.00 . A A . 14 GLU HB3 1 1
4 1227 1 1 14 GLU HG2 H 1.864 -7.491 -2.287 1.00 . A A . 14 GLU HG2 1 1
4 1228 1 1 14 GLU HG3 H 3.051 -6.420 -2.989 1.00 . A A . 14 GLU HG3 1 1
4 1229 1 1 14 GLU N N -0.335 -3.928 -3.049 1.00 . A A . 14 GLU N 1 1
4 1230 1 1 14 GLU O O -0.375 -7.288 -4.107 1.00 . A A . 14 GLU O 1 1
4 1231 1 1 14 GLU OE1 O 3.619 -5.895 -0.109 1.00 . A A . 14 GLU OE1 1 1
4 1232 1 1 14 GLU OE2 O 3.774 -8.057 -0.807 1.00 . A A . 14 GLU OE2 1 1
4 1233 1 1 15 ALA C C -3.408 -7.386 -3.768 1.00 . A A . 15 ALA C 1 1
4 1234 1 1 15 ALA CA C -2.607 -7.366 -2.488 1.00 . A A . 15 ALA CA 1 1
4 1235 1 1 15 ALA CB C -3.485 -7.151 -1.242 1.00 . A A . 15 ALA CB 1 1
4 1236 1 1 15 ALA H H -1.652 -5.485 -1.876 1.00 . A A . 15 ALA H 1 1
4 1237 1 1 15 ALA HA H -2.082 -8.335 -2.404 1.00 . A A . 15 ALA HA 1 1
4 1238 1 1 15 ALA HB1 H -2.888 -7.177 -0.310 1.00 . A A . 15 ALA HB1 1 1
4 1239 1 1 15 ALA HB2 H -4.008 -6.176 -1.263 1.00 . A A . 15 ALA HB2 1 1
4 1240 1 1 15 ALA HB3 H -4.259 -7.934 -1.143 1.00 . A A . 15 ALA HB3 1 1
4 1241 1 1 15 ALA N N -1.605 -6.304 -2.519 1.00 . A A . 15 ALA N 1 1
4 1242 1 1 15 ALA O O -3.832 -8.436 -4.262 1.00 . A A . 15 ALA O 1 1
4 1243 1 1 16 LEU C C -3.776 -6.448 -6.766 1.00 . A A . 16 LEU C 1 1
4 1244 1 1 16 LEU CA C -4.495 -6.057 -5.497 1.00 . A A . 16 LEU CA 1 1
4 1245 1 1 16 LEU CB C -5.026 -4.596 -5.592 1.00 . A A . 16 LEU CB 1 1
4 1246 1 1 16 LEU CD1 C -6.429 -2.654 -4.777 1.00 . A A . 16 LEU CD1 1 1
4 1247 1 1 16 LEU CD2 C -7.281 -4.990 -4.418 1.00 . A A . 16 LEU CD2 1 1
4 1248 1 1 16 LEU CG C -6.023 -4.110 -4.507 1.00 . A A . 16 LEU CG 1 1
4 1249 1 1 16 LEU H H -3.222 -5.385 -3.835 1.00 . A A . 16 LEU H 1 1
4 1250 1 1 16 LEU HA H -5.348 -6.754 -5.399 1.00 . A A . 16 LEU HA 1 1
4 1251 1 1 16 LEU HB2 H -4.159 -3.904 -5.598 1.00 . A A . 16 LEU HB2 1 1
4 1252 1 1 16 LEU HB3 H -5.498 -4.459 -6.584 1.00 . A A . 16 LEU HB3 1 1
4 1253 1 1 16 LEU HD11 H -5.551 -1.981 -4.805 1.00 . A A . 16 LEU HD11 1 1
4 1254 1 1 16 LEU HD12 H -6.960 -2.538 -5.741 1.00 . A A . 16 LEU HD12 1 1
4 1255 1 1 16 LEU HD13 H -7.099 -2.264 -3.987 1.00 . A A . 16 LEU HD13 1 1
4 1256 1 1 16 LEU HD21 H -7.808 -5.067 -5.387 1.00 . A A . 16 LEU HD21 1 1
4 1257 1 1 16 LEU HD22 H -7.029 -6.018 -4.099 1.00 . A A . 16 LEU HD22 1 1
4 1258 1 1 16 LEU HD23 H -8.002 -4.607 -3.673 1.00 . A A . 16 LEU HD23 1 1
4 1259 1 1 16 LEU HG H -5.507 -4.142 -3.524 1.00 . A A . 16 LEU HG 1 1
4 1260 1 1 16 LEU N N -3.643 -6.210 -4.320 1.00 . A A . 16 LEU N 1 1
4 1261 1 1 16 LEU O O -4.374 -6.952 -7.724 1.00 . A A . 16 LEU O 1 1
4 1262 1 1 17 LYS C C -1.539 -7.894 -8.342 1.00 . A A . 17 LYS C 1 1
4 1263 1 1 17 LYS CA C -1.683 -6.428 -8.011 1.00 . A A . 17 LYS CA 1 1
4 1264 1 1 17 LYS CB C -0.286 -5.767 -7.828 1.00 . A A . 17 LYS CB 1 1
4 1265 1 1 17 LYS CD C 1.793 -7.306 -7.612 1.00 . A A . 17 LYS CD 1 1
4 1266 1 1 17 LYS CE C 1.412 -8.782 -7.787 1.00 . A A . 17 LYS CE 1 1
4 1267 1 1 17 LYS CG C 0.654 -6.572 -6.897 1.00 . A A . 17 LYS CG 1 1
4 1268 1 1 17 LYS H H -2.043 -5.903 -5.906 1.00 . A A . 17 LYS H 1 1
4 1269 1 1 17 LYS HA H -2.208 -5.950 -8.860 1.00 . A A . 17 LYS HA 1 1
4 1270 1 1 17 LYS HB2 H 0.198 -5.641 -8.815 1.00 . A A . 17 LYS HB2 1 1
4 1271 1 1 17 LYS HB3 H -0.412 -4.736 -7.437 1.00 . A A . 17 LYS HB3 1 1
4 1272 1 1 17 LYS HD2 H 1.996 -6.822 -8.587 1.00 . A A . 17 LYS HD2 1 1
4 1273 1 1 17 LYS HD3 H 2.726 -7.218 -7.019 1.00 . A A . 17 LYS HD3 1 1
4 1274 1 1 17 LYS HE2 H 0.375 -8.960 -7.434 1.00 . A A . 17 LYS HE2 1 1
4 1275 1 1 17 LYS HE3 H 1.421 -9.074 -8.858 1.00 . A A . 17 LYS HE3 1 1
4 1276 1 1 17 LYS HG2 H 1.066 -5.904 -6.115 1.00 . A A . 17 LYS HG2 1 1
4 1277 1 1 17 LYS HG3 H 0.079 -7.346 -6.352 1.00 . A A . 17 LYS HG3 1 1
4 1278 1 1 17 LYS HZ1 H 3.323 -9.306 -7.223 1.00 . A A . 17 LYS HZ1 1 1
4 1279 1 1 17 LYS HZ2 H 2.164 -9.552 -6.030 1.00 . A A . 17 LYS HZ2 1 1
4 1280 1 1 17 LYS HZ3 H 2.261 -10.605 -7.337 1.00 . A A . 17 LYS HZ3 1 1
4 1281 1 1 17 LYS N N -2.479 -6.208 -6.805 1.00 . A A . 17 LYS N 1 1
4 1282 1 1 17 LYS NZ N 2.361 -9.624 -7.038 1.00 . A A . 17 LYS NZ 1 1
4 1283 1 1 17 LYS O O -1.131 -8.269 -9.452 1.00 . A A . 17 LYS O 1 1
4 1284 1 1 18 GLU C C -3.216 -10.672 -8.071 1.00 . A A . 18 GLU C 1 1
4 1285 1 1 18 GLU CA C -1.860 -10.199 -7.610 1.00 . A A . 18 GLU CA 1 1
4 1286 1 1 18 GLU CB C -1.449 -10.886 -6.273 1.00 . A A . 18 GLU CB 1 1
4 1287 1 1 18 GLU CD C -0.354 -13.030 -5.147 1.00 . A A . 18 GLU CD 1 1
4 1288 1 1 18 GLU CG C -1.167 -12.423 -6.294 1.00 . A A . 18 GLU CG 1 1
4 1289 1 1 18 GLU H H -1.975 -8.354 -6.434 1.00 . A A . 18 GLU H 1 1
4 1290 1 1 18 GLU HA H -1.124 -10.452 -8.393 1.00 . A A . 18 GLU HA 1 1
4 1291 1 1 18 GLU HB2 H -0.560 -10.353 -5.872 1.00 . A A . 18 GLU HB2 1 1
4 1292 1 1 18 GLU HB3 H -2.241 -10.676 -5.527 1.00 . A A . 18 GLU HB3 1 1
4 1293 1 1 18 GLU HG2 H -2.118 -12.986 -6.343 1.00 . A A . 18 GLU HG2 1 1
4 1294 1 1 18 GLU HG3 H -0.644 -12.694 -7.231 1.00 . A A . 18 GLU HG3 1 1
4 1295 1 1 18 GLU N N -1.834 -8.755 -7.389 1.00 . A A . 18 GLU N 1 1
4 1296 1 1 18 GLU O O -3.897 -11.457 -7.398 1.00 . A A . 18 GLU O 1 1
4 1297 1 1 18 GLU OE1 O -0.353 -12.272 -4.016 1.00 . A A . 18 GLU OE1 1 1
4 1298 1 1 18 GLU OE2 O 0.239 -14.096 -5.243 1.00 . A A . 18 GLU OE2 1 1
4 1299 1 1 19 ASN C C -4.791 -10.585 -11.361 1.00 . A A . 19 ASN C 1 1
4 1300 1 1 19 ASN CA C -4.874 -10.673 -9.855 1.00 . A A . 19 ASN CA 1 1
4 1301 1 1 19 ASN CB C -6.065 -9.826 -9.320 1.00 . A A . 19 ASN CB 1 1
4 1302 1 1 19 ASN CG C -7.410 -9.989 -10.036 1.00 . A A . 19 ASN CG 1 1
4 1303 1 1 19 ASN H H -3.047 -9.467 -9.670 1.00 . A A . 19 ASN H 1 1
4 1304 1 1 19 ASN HA H -5.021 -11.739 -9.599 1.00 . A A . 19 ASN HA 1 1
4 1305 1 1 19 ASN HB2 H -6.222 -10.006 -8.240 1.00 . A A . 19 ASN HB2 1 1
4 1306 1 1 19 ASN HB3 H -5.804 -8.749 -9.379 1.00 . A A . 19 ASN HB3 1 1
4 1307 1 1 19 ASN HD21 H -7.789 -11.684 -9.066 1.00 . A A . 19 ASN HD21 1 1
4 1308 1 1 19 ASN HD22 H -9.003 -11.066 -10.314 1.00 . A A . 19 ASN HD22 1 1
4 1309 1 1 19 ASN N N -3.633 -10.214 -9.237 1.00 . A A . 19 ASN N 1 1
4 1310 1 1 19 ASN ND2 N -8.170 -11.003 -9.723 1.00 . A A . 19 ASN ND2 1 1
4 1311 1 1 19 ASN O O -4.639 -11.585 -12.069 1.00 . A A . 19 ASN O 1 1
4 1312 1 1 19 ASN OD1 O -7.794 -9.203 -10.890 1.00 . A A . 19 ASN OD1 1 1
4 1313 1 1 20 GLY C C -4.815 -7.653 -13.622 1.00 . A A . 20 GLY C 1 1
4 1314 1 1 20 GLY CA C -4.759 -9.129 -13.309 1.00 . A A . 20 GLY CA 1 1
4 1315 1 1 20 GLY H H -5.078 -8.602 -11.195 1.00 . A A . 20 GLY H 1 1
4 1316 1 1 20 GLY HA2 H -3.808 -9.545 -13.689 1.00 . A A . 20 GLY HA2 1 1
4 1317 1 1 20 GLY HA3 H -5.573 -9.646 -13.850 1.00 . A A . 20 GLY HA3 1 1
4 1318 1 1 20 GLY N N -4.876 -9.370 -11.874 1.00 . A A . 20 GLY N 1 1
4 1319 1 1 20 GLY O O -5.327 -7.212 -14.698 1.00 . A A . 20 GLY O 1 1
4 1320 1 1 20 GLY OXT O -4.320 -6.879 -12.746 1.00 . A A . 20 GLY OXT 1 1
5 1321 1 1 1 TYR C C 3.190 11.494 6.129 1.00 . A A . 1 TYR C 1 1
5 1322 1 1 1 TYR CA C 2.863 12.782 5.409 1.00 . A A . 1 TYR CA 1 1
5 1323 1 1 1 TYR CB C 4.034 13.134 4.445 1.00 . A A . 1 TYR CB 1 1
5 1324 1 1 1 TYR CD1 C 3.694 10.913 3.258 1.00 . A A . 1 TYR CD1 1 1
5 1325 1 1 1 TYR CD2 C 5.570 12.289 2.601 1.00 . A A . 1 TYR CD2 1 1
5 1326 1 1 1 TYR CE1 C 4.087 9.939 2.341 1.00 . A A . 1 TYR CE1 1 1
5 1327 1 1 1 TYR CE2 C 5.960 11.312 1.687 1.00 . A A . 1 TYR CE2 1 1
5 1328 1 1 1 TYR CG C 4.440 12.086 3.403 1.00 . A A . 1 TYR CG 1 1
5 1329 1 1 1 TYR CZ C 5.221 10.140 1.555 1.00 . A A . 1 TYR CZ 1 1
5 1330 1 1 1 TYR H1 H 2.213 13.484 7.223 1.00 . A A . 1 TYR H1 1 1
5 1331 1 1 1 TYR H2 H 3.538 14.309 6.598 1.00 . A A . 1 TYR H2 1 1
5 1332 1 1 1 TYR H3 H 2.007 14.568 5.953 1.00 . A A . 1 TYR H3 1 1
5 1333 1 1 1 TYR HA H 1.935 12.615 4.830 1.00 . A A . 1 TYR HA 1 1
5 1334 1 1 1 TYR HB2 H 3.789 14.079 3.907 1.00 . A A . 1 TYR HB2 1 1
5 1335 1 1 1 TYR HB3 H 4.932 13.421 5.038 1.00 . A A . 1 TYR HB3 1 1
5 1336 1 1 1 TYR HD1 H 2.825 10.741 3.878 1.00 . A A . 1 TYR HD1 1 1
5 1337 1 1 1 TYR HD2 H 6.158 13.190 2.704 1.00 . A A . 1 TYR HD2 1 1
5 1338 1 1 1 TYR HE1 H 3.509 9.031 2.252 1.00 . A A . 1 TYR HE1 1 1
5 1339 1 1 1 TYR HE2 H 6.841 11.459 1.078 1.00 . A A . 1 TYR HE2 1 1
5 1340 1 1 1 TYR HH H 5.272 9.425 -0.209 1.00 . A A . 1 TYR HH 1 1
5 1341 1 1 1 TYR N N 2.638 13.865 6.365 1.00 . A A . 1 TYR N 1 1
5 1342 1 1 1 TYR O O 2.366 10.574 6.218 1.00 . A A . 1 TYR O 1 1
5 1343 1 1 1 TYR OH O 5.606 9.186 0.658 1.00 . A A . 1 TYR OH 1 1
5 1344 1 1 2 SER C C 4.948 9.012 6.684 1.00 . A A . 2 SER C 1 1
5 1345 1 1 2 SER CA C 4.784 10.272 7.501 1.00 . A A . 2 SER CA 1 1
5 1346 1 1 2 SER CB C 3.776 10.065 8.662 1.00 . A A . 2 SER CB 1 1
5 1347 1 1 2 SER H H 5.032 12.210 6.479 1.00 . A A . 2 SER H 1 1
5 1348 1 1 2 SER HA H 5.775 10.495 7.940 1.00 . A A . 2 SER HA 1 1
5 1349 1 1 2 SER HB2 H 3.216 10.995 8.877 1.00 . A A . 2 SER HB2 1 1
5 1350 1 1 2 SER HB3 H 3.006 9.329 8.359 1.00 . A A . 2 SER HB3 1 1
5 1351 1 1 2 SER HG H 4.893 8.800 9.636 1.00 . A A . 2 SER HG 1 1
5 1352 1 1 2 SER N N 4.390 11.408 6.673 1.00 . A A . 2 SER N 1 1
5 1353 1 1 2 SER O O 3.995 8.440 6.146 1.00 . A A . 2 SER O 1 1
5 1354 1 1 2 SER OG O 4.402 9.595 9.861 1.00 . A A . 2 SER OG 1 1
5 1355 1 1 3 ASP C C 5.570 6.165 6.067 1.00 . A A . 3 ASP C 1 1
5 1356 1 1 3 ASP CA C 6.544 7.307 5.904 1.00 . A A . 3 ASP CA 1 1
5 1357 1 1 3 ASP CB C 7.959 6.885 6.425 1.00 . A A . 3 ASP CB 1 1
5 1358 1 1 3 ASP CG C 9.160 7.513 5.707 1.00 . A A . 3 ASP CG 1 1
5 1359 1 1 3 ASP H H 6.941 9.275 6.793 1.00 . A A . 3 ASP H 1 1
5 1360 1 1 3 ASP HA H 6.587 7.522 4.819 1.00 . A A . 3 ASP HA 1 1
5 1361 1 1 3 ASP HB2 H 8.060 7.101 7.499 1.00 . A A . 3 ASP HB2 1 1
5 1362 1 1 3 ASP HB3 H 8.059 5.787 6.344 1.00 . A A . 3 ASP HB3 1 1
5 1363 1 1 3 ASP N N 6.182 8.580 6.532 1.00 . A A . 3 ASP N 1 1
5 1364 1 1 3 ASP O O 5.247 5.442 5.089 1.00 . A A . 3 ASP O 1 1
5 1365 1 1 3 ASP OD1 O 9.136 8.634 5.220 1.00 . A A . 3 ASP OD1 1 1
5 1366 1 1 3 ASP OD2 O 10.250 6.688 5.674 1.00 . A A . 3 ASP OD2 1 1
5 1367 1 1 4 GLU C C 2.945 4.681 6.862 1.00 . A A . 4 GLU C 1 1
5 1368 1 1 4 GLU CA C 4.287 4.703 7.556 1.00 . A A . 4 GLU CA 1 1
5 1369 1 1 4 GLU CB C 4.109 4.607 9.101 1.00 . A A . 4 GLU CB 1 1
5 1370 1 1 4 GLU CD C 5.442 3.480 11.105 1.00 . A A . 4 GLU CD 1 1
5 1371 1 1 4 GLU CG C 5.412 4.498 9.962 1.00 . A A . 4 GLU CG 1 1
5 1372 1 1 4 GLU H H 5.214 6.649 7.975 1.00 . A A . 4 GLU H 1 1
5 1373 1 1 4 GLU HA H 4.858 3.825 7.196 1.00 . A A . 4 GLU HA 1 1
5 1374 1 1 4 GLU HB2 H 3.534 5.486 9.446 1.00 . A A . 4 GLU HB2 1 1
5 1375 1 1 4 GLU HB3 H 3.454 3.745 9.328 1.00 . A A . 4 GLU HB3 1 1
5 1376 1 1 4 GLU HG2 H 6.273 4.268 9.307 1.00 . A A . 4 GLU HG2 1 1
5 1377 1 1 4 GLU HG3 H 5.660 5.481 10.403 1.00 . A A . 4 GLU HG3 1 1
5 1378 1 1 4 GLU N N 5.069 5.905 7.258 1.00 . A A . 4 GLU N 1 1
5 1379 1 1 4 GLU O O 2.403 3.617 6.538 1.00 . A A . 4 GLU O 1 1
5 1380 1 1 4 GLU OE1 O 5.081 3.746 12.243 1.00 . A A . 4 GLU OE1 1 1
5 1381 1 1 4 GLU OE2 O 5.907 2.255 10.735 1.00 . A A . 4 GLU OE2 1 1
5 1382 1 1 5 LEU C C 1.049 5.625 4.589 1.00 . A A . 5 LEU C 1 1
5 1383 1 1 5 LEU CA C 1.031 5.949 6.064 1.00 . A A . 5 LEU CA 1 1
5 1384 1 1 5 LEU CB C 0.432 7.362 6.315 1.00 . A A . 5 LEU CB 1 1
5 1385 1 1 5 LEU CD1 C 0.341 9.191 8.063 1.00 . A A . 5 LEU CD1 1 1
5 1386 1 1 5 LEU CD2 C -1.494 7.476 8.019 1.00 . A A . 5 LEU CD2 1 1
5 1387 1 1 5 LEU CG C 0.001 7.725 7.763 1.00 . A A . 5 LEU CG 1 1
5 1388 1 1 5 LEU H H 2.900 6.682 6.983 1.00 . A A . 5 LEU H 1 1
5 1389 1 1 5 LEU HA H 0.389 5.183 6.538 1.00 . A A . 5 LEU HA 1 1
5 1390 1 1 5 LEU HB2 H 1.161 8.123 5.973 1.00 . A A . 5 LEU HB2 1 1
5 1391 1 1 5 LEU HB3 H -0.443 7.496 5.650 1.00 . A A . 5 LEU HB3 1 1
5 1392 1 1 5 LEU HD11 H 1.420 9.399 7.931 1.00 . A A . 5 LEU HD11 1 1
5 1393 1 1 5 LEU HD12 H -0.209 9.892 7.406 1.00 . A A . 5 LEU HD12 1 1
5 1394 1 1 5 LEU HD13 H 0.093 9.461 9.107 1.00 . A A . 5 LEU HD13 1 1
5 1395 1 1 5 LEU HD21 H -2.138 8.019 7.302 1.00 . A A . 5 LEU HD21 1 1
5 1396 1 1 5 LEU HD22 H -1.742 6.401 7.934 1.00 . A A . 5 LEU HD22 1 1
5 1397 1 1 5 LEU HD23 H -1.796 7.780 9.038 1.00 . A A . 5 LEU HD23 1 1
5 1398 1 1 5 LEU HG H 0.584 7.090 8.464 1.00 . A A . 5 LEU HG 1 1
5 1399 1 1 5 LEU N N 2.367 5.849 6.650 1.00 . A A . 5 LEU N 1 1
5 1400 1 1 5 LEU O O 0.094 5.068 4.034 1.00 . A A . 5 LEU O 1 1
5 1401 1 1 6 ARG C C 2.546 4.256 2.207 1.00 . A A . 6 ARG C 1 1
5 1402 1 1 6 ARG CA C 2.278 5.714 2.493 1.00 . A A . 6 ARG CA 1 1
5 1403 1 1 6 ARG CB C 3.415 6.616 1.936 1.00 . A A . 6 ARG CB 1 1
5 1404 1 1 6 ARG CD C 2.925 7.966 -0.199 1.00 . A A . 6 ARG CD 1 1
5 1405 1 1 6 ARG CG C 3.511 6.674 0.389 1.00 . A A . 6 ARG CG 1 1
5 1406 1 1 6 ARG CZ C 2.589 8.645 -2.583 1.00 . A A . 6 ARG CZ 1 1
5 1407 1 1 6 ARG H H 2.892 6.418 4.489 1.00 . A A . 6 ARG H 1 1
5 1408 1 1 6 ARG HA H 1.323 5.982 2.005 1.00 . A A . 6 ARG HA 1 1
5 1409 1 1 6 ARG HB2 H 3.307 7.639 2.352 1.00 . A A . 6 ARG HB2 1 1
5 1410 1 1 6 ARG HB3 H 4.387 6.258 2.329 1.00 . A A . 6 ARG HB3 1 1
5 1411 1 1 6 ARG HD2 H 2.013 8.263 0.356 1.00 . A A . 6 ARG HD2 1 1
5 1412 1 1 6 ARG HD3 H 3.651 8.798 -0.101 1.00 . A A . 6 ARG HD3 1 1
5 1413 1 1 6 ARG HE H 2.382 6.756 -1.904 1.00 . A A . 6 ARG HE 1 1
5 1414 1 1 6 ARG HG2 H 4.564 6.589 0.053 1.00 . A A . 6 ARG HG2 1 1
5 1415 1 1 6 ARG HG3 H 2.993 5.801 -0.058 1.00 . A A . 6 ARG HG3 1 1
5 1416 1 1 6 ARG HH11 H 3.069 10.123 -1.418 1.00 . A A . 6 ARG HH11 1 1
5 1417 1 1 6 ARG HH12 H 2.801 10.518 -3.201 1.00 . A A . 6 ARG HH12 1 1
5 1418 1 1 6 ARG HH21 H 2.112 7.257 -3.818 1.00 . A A . 6 ARG HH21 1 1
5 1419 1 1 6 ARG HH22 H 2.282 8.963 -4.511 1.00 . A A . 6 ARG HH22 1 1
5 1420 1 1 6 ARG N N 2.143 5.953 3.928 1.00 . A A . 6 ARG N 1 1
5 1421 1 1 6 ARG NE N 2.607 7.723 -1.630 1.00 . A A . 6 ARG NE 1 1
5 1422 1 1 6 ARG NH1 N 2.847 9.905 -2.389 1.00 . A A . 6 ARG NH1 1 1
5 1423 1 1 6 ARG NH2 N 2.297 8.261 -3.774 1.00 . A A . 6 ARG NH2 1 1
5 1424 1 1 6 ARG O O 2.023 3.666 1.256 1.00 . A A . 6 ARG O 1 1
5 1425 1 1 7 GLN C C 2.616 1.334 3.271 1.00 . A A . 7 GLN C 1 1
5 1426 1 1 7 GLN CA C 3.752 2.247 2.875 1.00 . A A . 7 GLN CA 1 1
5 1427 1 1 7 GLN CB C 5.009 1.962 3.730 1.00 . A A . 7 GLN CB 1 1
5 1428 1 1 7 GLN CD C 5.936 1.312 6.156 1.00 . A A . 7 GLN CD 1 1
5 1429 1 1 7 GLN CG C 4.754 1.669 5.246 1.00 . A A . 7 GLN CG 1 1
5 1430 1 1 7 GLN H H 3.822 4.256 3.758 1.00 . A A . 7 GLN H 1 1
5 1431 1 1 7 GLN HA H 3.980 2.060 1.810 1.00 . A A . 7 GLN HA 1 1
5 1432 1 1 7 GLN HB2 H 5.552 1.103 3.292 1.00 . A A . 7 GLN HB2 1 1
5 1433 1 1 7 GLN HB3 H 5.700 2.825 3.641 1.00 . A A . 7 GLN HB3 1 1
5 1434 1 1 7 GLN HE21 H 6.738 0.155 4.776 1.00 . A A . 7 GLN HE21 1 1
5 1435 1 1 7 GLN HE22 H 7.612 0.302 6.401 1.00 . A A . 7 GLN HE22 1 1
5 1436 1 1 7 GLN HG2 H 4.225 2.524 5.707 1.00 . A A . 7 GLN HG2 1 1
5 1437 1 1 7 GLN HG3 H 4.053 0.821 5.360 1.00 . A A . 7 GLN HG3 1 1
5 1438 1 1 7 GLN N N 3.389 3.654 3.024 1.00 . A A . 7 GLN N 1 1
5 1439 1 1 7 GLN NE2 N 6.869 0.501 5.728 1.00 . A A . 7 GLN NE2 1 1
5 1440 1 1 7 GLN O O 2.529 0.178 2.835 1.00 . A A . 7 GLN O 1 1
5 1441 1 1 7 GLN OE1 O 6.014 1.754 7.291 1.00 . A A . 7 GLN OE1 1 1
5 1442 1 1 8 ARG C C -0.432 0.970 3.347 1.00 . A A . 8 ARG C 1 1
5 1443 1 1 8 ARG CA C 0.530 1.085 4.504 1.00 . A A . 8 ARG CA 1 1
5 1444 1 1 8 ARG CB C -0.124 1.812 5.714 1.00 . A A . 8 ARG CB 1 1
5 1445 1 1 8 ARG CD C -2.646 1.883 6.199 1.00 . A A . 8 ARG CD 1 1
5 1446 1 1 8 ARG CG C -1.343 1.085 6.338 1.00 . A A . 8 ARG CG 1 1
5 1447 1 1 8 ARG CZ C -4.499 0.795 4.920 1.00 . A A . 8 ARG CZ 1 1
5 1448 1 1 8 ARG H H 1.916 2.788 4.475 1.00 . A A . 8 ARG H 1 1
5 1449 1 1 8 ARG HA H 0.829 0.062 4.797 1.00 . A A . 8 ARG HA 1 1
5 1450 1 1 8 ARG HB2 H 0.650 1.994 6.490 1.00 . A A . 8 ARG HB2 1 1
5 1451 1 1 8 ARG HB3 H -0.440 2.829 5.401 1.00 . A A . 8 ARG HB3 1 1
5 1452 1 1 8 ARG HD2 H -3.293 1.723 7.085 1.00 . A A . 8 ARG HD2 1 1
5 1453 1 1 8 ARG HD3 H -2.429 2.970 6.149 1.00 . A A . 8 ARG HD3 1 1
5 1454 1 1 8 ARG HE H -2.880 1.643 4.065 1.00 . A A . 8 ARG HE 1 1
5 1455 1 1 8 ARG HG2 H -1.494 0.089 5.872 1.00 . A A . 8 ARG HG2 1 1
5 1456 1 1 8 ARG HG3 H -1.153 0.874 7.411 1.00 . A A . 8 ARG HG3 1 1
5 1457 1 1 8 ARG HH11 H -4.757 0.748 6.844 1.00 . A A . 8 ARG HH11 1 1
5 1458 1 1 8 ARG HH12 H -6.071 -0.028 5.806 1.00 . A A . 8 ARG HH12 1 1
5 1459 1 1 8 ARG HH21 H -4.341 0.787 3.008 1.00 . A A . 8 ARG HH21 1 1
5 1460 1 1 8 ARG HH22 H -5.851 -0.010 3.720 1.00 . A A . 8 ARG HH22 1 1
5 1461 1 1 8 ARG N N 1.731 1.823 4.117 1.00 . A A . 8 ARG N 1 1
5 1462 1 1 8 ARG NE N -3.339 1.436 4.963 1.00 . A A . 8 ARG NE 1 1
5 1463 1 1 8 ARG NH1 N -5.194 0.463 5.967 1.00 . A A . 8 ARG NH1 1 1
5 1464 1 1 8 ARG NH2 N -4.961 0.482 3.761 1.00 . A A . 8 ARG NH2 1 1
5 1465 1 1 8 ARG O O -1.013 -0.086 3.076 1.00 . A A . 8 ARG O 1 1
5 1466 1 1 9 LEU C C -1.048 1.227 0.391 1.00 . A A . 9 LEU C 1 1
5 1467 1 1 9 LEU CA C -1.533 2.125 1.505 1.00 . A A . 9 LEU CA 1 1
5 1468 1 1 9 LEU CB C -1.689 3.589 1.005 1.00 . A A . 9 LEU CB 1 1
5 1469 1 1 9 LEU CD1 C -1.490 3.399 -1.553 1.00 . A A . 9 LEU CD1 1 1
5 1470 1 1 9 LEU CD2 C -0.864 5.536 -0.390 1.00 . A A . 9 LEU CD2 1 1
5 1471 1 1 9 LEU CG C -0.904 4.007 -0.269 1.00 . A A . 9 LEU CG 1 1
5 1472 1 1 9 LEU H H -0.049 2.899 2.929 1.00 . A A . 9 LEU H 1 1
5 1473 1 1 9 LEU HA H -2.517 1.731 1.815 1.00 . A A . 9 LEU HA 1 1
5 1474 1 1 9 LEU HB2 H -2.763 3.792 0.828 1.00 . A A . 9 LEU HB2 1 1
5 1475 1 1 9 LEU HB3 H -1.406 4.273 1.827 1.00 . A A . 9 LEU HB3 1 1
5 1476 1 1 9 LEU HD11 H -1.649 2.310 -1.446 1.00 . A A . 9 LEU HD11 1 1
5 1477 1 1 9 LEU HD12 H -2.478 3.829 -1.800 1.00 . A A . 9 LEU HD12 1 1
5 1478 1 1 9 LEU HD13 H -0.830 3.550 -2.428 1.00 . A A . 9 LEU HD13 1 1
5 1479 1 1 9 LEU HD21 H -0.487 6.013 0.534 1.00 . A A . 9 LEU HD21 1 1
5 1480 1 1 9 LEU HD22 H -0.215 5.875 -1.220 1.00 . A A . 9 LEU HD22 1 1
5 1481 1 1 9 LEU HD23 H -1.871 5.957 -0.572 1.00 . A A . 9 LEU HD23 1 1
5 1482 1 1 9 LEU HG H 0.140 3.643 -0.158 1.00 . A A . 9 LEU HG 1 1
5 1483 1 1 9 LEU N N -0.626 2.072 2.648 1.00 . A A . 9 LEU N 1 1
5 1484 1 1 9 LEU O O -1.826 0.605 -0.339 1.00 . A A . 9 LEU O 1 1
5 1485 1 1 10 ALA C C 0.711 -1.138 -0.499 1.00 . A A . 10 ALA C 1 1
5 1486 1 1 10 ALA CA C 0.886 0.333 -0.793 1.00 . A A . 10 ALA CA 1 1
5 1487 1 1 10 ALA CB C 2.367 0.744 -0.890 1.00 . A A . 10 ALA CB 1 1
5 1488 1 1 10 ALA H H 0.829 1.747 0.887 1.00 . A A . 10 ALA H 1 1
5 1489 1 1 10 ALA HA H 0.384 0.541 -1.756 1.00 . A A . 10 ALA HA 1 1
5 1490 1 1 10 ALA HB1 H 2.479 1.816 -1.145 1.00 . A A . 10 ALA HB1 1 1
5 1491 1 1 10 ALA HB2 H 2.910 0.579 0.060 1.00 . A A . 10 ALA HB2 1 1
5 1492 1 1 10 ALA HB3 H 2.902 0.177 -1.674 1.00 . A A . 10 ALA HB3 1 1
5 1493 1 1 10 ALA N N 0.261 1.163 0.234 1.00 . A A . 10 ALA N 1 1
5 1494 1 1 10 ALA O O 0.720 -1.986 -1.399 1.00 . A A . 10 ALA O 1 1
5 1495 1 1 11 ALA C C -0.894 -3.436 0.775 1.00 . A A . 11 ALA C 1 1
5 1496 1 1 11 ALA CA C 0.439 -2.864 1.195 1.00 . A A . 11 ALA CA 1 1
5 1497 1 1 11 ALA CB C 0.653 -2.914 2.719 1.00 . A A . 11 ALA CB 1 1
5 1498 1 1 11 ALA H H 0.605 -0.690 1.459 1.00 . A A . 11 ALA H 1 1
5 1499 1 1 11 ALA HA H 1.228 -3.454 0.694 1.00 . A A . 11 ALA HA 1 1
5 1500 1 1 11 ALA HB1 H 1.650 -2.527 3.006 1.00 . A A . 11 ALA HB1 1 1
5 1501 1 1 11 ALA HB2 H -0.097 -2.312 3.266 1.00 . A A . 11 ALA HB2 1 1
5 1502 1 1 11 ALA HB3 H 0.591 -3.946 3.110 1.00 . A A . 11 ALA HB3 1 1
5 1503 1 1 11 ALA N N 0.569 -1.472 0.770 1.00 . A A . 11 ALA N 1 1
5 1504 1 1 11 ALA O O -1.027 -4.624 0.463 1.00 . A A . 11 ALA O 1 1
5 1505 1 1 12 ARG C C -3.286 -3.182 -1.165 1.00 . A A . 12 ARG C 1 1
5 1506 1 1 12 ARG CA C -3.247 -2.991 0.333 1.00 . A A . 12 ARG CA 1 1
5 1507 1 1 12 ARG CB C -4.254 -1.905 0.803 1.00 . A A . 12 ARG CB 1 1
5 1508 1 1 12 ARG CD C -6.084 -2.590 -0.876 1.00 . A A . 12 ARG CD 1 1
5 1509 1 1 12 ARG CG C -5.754 -2.219 0.573 1.00 . A A . 12 ARG CG 1 1
5 1510 1 1 12 ARG CZ C -7.986 -1.186 -1.711 1.00 . A A . 12 ARG CZ 1 1
5 1511 1 1 12 ARG H H -1.694 -1.604 1.030 1.00 . A A . 12 ARG H 1 1
5 1512 1 1 12 ARG HA H -3.493 -3.961 0.801 1.00 . A A . 12 ARG HA 1 1
5 1513 1 1 12 ARG HB2 H -4.085 -1.700 1.885 1.00 . A A . 12 ARG HB2 1 1
5 1514 1 1 12 ARG HB3 H -4.007 -0.941 0.309 1.00 . A A . 12 ARG HB3 1 1
5 1515 1 1 12 ARG HD2 H -5.459 -2.028 -1.596 1.00 . A A . 12 ARG HD2 1 1
5 1516 1 1 12 ARG HD3 H -5.899 -3.669 -1.053 1.00 . A A . 12 ARG HD3 1 1
5 1517 1 1 12 ARG HE H -8.198 -2.967 -0.776 1.00 . A A . 12 ARG HE 1 1
5 1518 1 1 12 ARG HG2 H -6.078 -3.042 1.247 1.00 . A A . 12 ARG HG2 1 1
5 1519 1 1 12 ARG HG3 H -6.388 -1.352 0.863 1.00 . A A . 12 ARG HG3 1 1
5 1520 1 1 12 ARG HH11 H -6.254 -0.332 -1.919 1.00 . A A . 12 ARG HH11 1 1
5 1521 1 1 12 ARG HH12 H -7.709 0.540 -2.648 1.00 . A A . 12 ARG HH12 1 1
5 1522 1 1 12 ARG HH21 H -9.750 -1.909 -1.492 1.00 . A A . 12 ARG HH21 1 1
5 1523 1 1 12 ARG HH22 H -9.625 -0.261 -2.322 1.00 . A A . 12 ARG HH22 1 1
5 1524 1 1 12 ARG N N -1.908 -2.593 0.765 1.00 . A A . 12 ARG N 1 1
5 1525 1 1 12 ARG NE N -7.521 -2.272 -1.113 1.00 . A A . 12 ARG NE 1 1
5 1526 1 1 12 ARG NH1 N -7.242 -0.213 -2.146 1.00 . A A . 12 ARG NH1 1 1
5 1527 1 1 12 ARG NH2 N -9.259 -1.095 -1.866 1.00 . A A . 12 ARG NH2 1 1
5 1528 1 1 12 ARG O O -3.744 -4.200 -1.693 1.00 . A A . 12 ARG O 1 1
5 1529 1 1 13 LEU C C -1.918 -3.522 -3.751 1.00 . A A . 13 LEU C 1 1
5 1530 1 1 13 LEU CA C -2.643 -2.265 -3.330 1.00 . A A . 13 LEU CA 1 1
5 1531 1 1 13 LEU CB C -1.900 -1.005 -3.867 1.00 . A A . 13 LEU CB 1 1
5 1532 1 1 13 LEU CD1 C -2.167 -1.418 -6.351 1.00 . A A . 13 LEU CD1 1 1
5 1533 1 1 13 LEU CD2 C -0.350 0.134 -5.577 1.00 . A A . 13 LEU CD2 1 1
5 1534 1 1 13 LEU CG C -1.163 -1.123 -5.228 1.00 . A A . 13 LEU CG 1 1
5 1535 1 1 13 LEU H H -2.482 -1.347 -1.337 1.00 . A A . 13 LEU H 1 1
5 1536 1 1 13 LEU HA H -3.651 -2.326 -3.780 1.00 . A A . 13 LEU HA 1 1
5 1537 1 1 13 LEU HB2 H -2.625 -0.171 -3.939 1.00 . A A . 13 LEU HB2 1 1
5 1538 1 1 13 LEU HB3 H -1.171 -0.677 -3.103 1.00 . A A . 13 LEU HB3 1 1
5 1539 1 1 13 LEU HD11 H -2.743 -2.342 -6.156 1.00 . A A . 13 LEU HD11 1 1
5 1540 1 1 13 LEU HD12 H -2.899 -0.599 -6.485 1.00 . A A . 13 LEU HD12 1 1
5 1541 1 1 13 LEU HD13 H -1.659 -1.563 -7.323 1.00 . A A . 13 LEU HD13 1 1
5 1542 1 1 13 LEU HD21 H -0.972 1.048 -5.583 1.00 . A A . 13 LEU HD21 1 1
5 1543 1 1 13 LEU HD22 H 0.467 0.298 -4.849 1.00 . A A . 13 LEU HD22 1 1
5 1544 1 1 13 LEU HD23 H 0.136 0.051 -6.567 1.00 . A A . 13 LEU HD23 1 1
5 1545 1 1 13 LEU HG H -0.462 -1.983 -5.165 1.00 . A A . 13 LEU HG 1 1
5 1546 1 1 13 LEU N N -2.791 -2.188 -1.880 1.00 . A A . 13 LEU N 1 1
5 1547 1 1 13 LEU O O -2.124 -4.058 -4.844 1.00 . A A . 13 LEU O 1 1
5 1548 1 1 14 GLU C C -1.045 -6.428 -3.168 1.00 . A A . 14 GLU C 1 1
5 1549 1 1 14 GLU CA C -0.212 -5.168 -3.187 1.00 . A A . 14 GLU CA 1 1
5 1550 1 1 14 GLU CB C 0.938 -5.241 -2.141 1.00 . A A . 14 GLU CB 1 1
5 1551 1 1 14 GLU CD C 3.158 -6.433 -1.300 1.00 . A A . 14 GLU CD 1 1
5 1552 1 1 14 GLU CG C 2.067 -6.298 -2.366 1.00 . A A . 14 GLU CG 1 1
5 1553 1 1 14 GLU H H -0.922 -3.458 -2.007 1.00 . A A . 14 GLU H 1 1
5 1554 1 1 14 GLU HA H 0.219 -5.051 -4.196 1.00 . A A . 14 GLU HA 1 1
5 1555 1 1 14 GLU HB2 H 1.394 -4.235 -2.053 1.00 . A A . 14 GLU HB2 1 1
5 1556 1 1 14 GLU HB3 H 0.483 -5.416 -1.146 1.00 . A A . 14 GLU HB3 1 1
5 1557 1 1 14 GLU HG2 H 1.618 -7.302 -2.489 1.00 . A A . 14 GLU HG2 1 1
5 1558 1 1 14 GLU HG3 H 2.582 -6.110 -3.326 1.00 . A A . 14 GLU HG3 1 1
5 1559 1 1 14 GLU N N -1.035 -3.998 -2.893 1.00 . A A . 14 GLU N 1 1
5 1560 1 1 14 GLU O O -0.921 -7.316 -4.017 1.00 . A A . 14 GLU O 1 1
5 1561 1 1 14 GLU OE1 O 2.976 -6.153 -0.122 1.00 . A A . 14 GLU OE1 1 1
5 1562 1 1 14 GLU OE2 O 4.344 -6.894 -1.785 1.00 . A A . 14 GLU OE2 1 1
5 1563 1 1 15 ALA C C -3.687 -7.896 -3.145 1.00 . A A . 15 ALA C 1 1
5 1564 1 1 15 ALA CA C -2.743 -7.707 -1.981 1.00 . A A . 15 ALA CA 1 1
5 1565 1 1 15 ALA CB C -3.480 -7.553 -0.638 1.00 . A A . 15 ALA CB 1 1
5 1566 1 1 15 ALA H H -1.994 -5.685 -1.557 1.00 . A A . 15 ALA H 1 1
5 1567 1 1 15 ALA HA H -2.081 -8.591 -1.937 1.00 . A A . 15 ALA HA 1 1
5 1568 1 1 15 ALA HB1 H -2.773 -7.455 0.208 1.00 . A A . 15 ALA HB1 1 1
5 1569 1 1 15 ALA HB2 H -4.133 -6.659 -0.620 1.00 . A A . 15 ALA HB2 1 1
5 1570 1 1 15 ALA HB3 H -4.119 -8.428 -0.416 1.00 . A A . 15 ALA HB3 1 1
5 1571 1 1 15 ALA N N -1.912 -6.522 -2.175 1.00 . A A . 15 ALA N 1 1
5 1572 1 1 15 ALA O O -4.003 -9.015 -3.561 1.00 . A A . 15 ALA O 1 1
5 1573 1 1 16 LEU C C -4.546 -7.067 -6.095 1.00 . A A . 16 LEU C 1 1
5 1574 1 1 16 LEU CA C -5.169 -6.811 -4.743 1.00 . A A . 16 LEU CA 1 1
5 1575 1 1 16 LEU CB C -5.978 -5.481 -4.751 1.00 . A A . 16 LEU CB 1 1
5 1576 1 1 16 LEU CD1 C -8.139 -4.256 -4.082 1.00 . A A . 16 LEU CD1 1 1
5 1577 1 1 16 LEU CD2 C -7.747 -6.627 -3.351 1.00 . A A . 16 LEU CD2 1 1
5 1578 1 1 16 LEU CG C -7.074 -5.285 -3.669 1.00 . A A . 16 LEU CG 1 1
5 1579 1 1 16 LEU H H -3.816 -5.892 -3.275 1.00 . A A . 16 LEU H 1 1
5 1580 1 1 16 LEU HA H -5.853 -7.658 -4.552 1.00 . A A . 16 LEU HA 1 1
5 1581 1 1 16 LEU HB2 H -5.266 -4.634 -4.677 1.00 . A A . 16 LEU HB2 1 1
5 1582 1 1 16 LEU HB3 H -6.448 -5.363 -5.747 1.00 . A A . 16 LEU HB3 1 1
5 1583 1 1 16 LEU HD11 H -7.673 -3.319 -4.439 1.00 . A A . 16 LEU HD11 1 1
5 1584 1 1 16 LEU HD12 H -8.766 -4.623 -4.916 1.00 . A A . 16 LEU HD12 1 1
5 1585 1 1 16 LEU HD13 H -8.812 -3.991 -3.246 1.00 . A A . 16 LEU HD13 1 1
5 1586 1 1 16 LEU HD21 H -7.007 -7.408 -3.090 1.00 . A A . 16 LEU HD21 1 1
5 1587 1 1 16 LEU HD22 H -8.455 -6.552 -2.503 1.00 . A A . 16 LEU HD22 1 1
5 1588 1 1 16 LEU HD23 H -8.318 -7.013 -4.217 1.00 . A A . 16 LEU HD23 1 1
5 1589 1 1 16 LEU HG H -6.583 -4.923 -2.742 1.00 . A A . 16 LEU HG 1 1
5 1590 1 1 16 LEU N N -4.163 -6.788 -3.684 1.00 . A A . 16 LEU N 1 1
5 1591 1 1 16 LEU O O -5.137 -7.702 -6.976 1.00 . A A . 16 LEU O 1 1
5 1592 1 1 17 LYS C C -1.921 -7.919 -7.801 1.00 . A A . 17 LYS C 1 1
5 1593 1 1 17 LYS CA C -2.669 -6.625 -7.584 1.00 . A A . 17 LYS CA 1 1
5 1594 1 1 17 LYS CB C -1.697 -5.412 -7.703 1.00 . A A . 17 LYS CB 1 1
5 1595 1 1 17 LYS CD C 0.800 -6.113 -7.815 1.00 . A A . 17 LYS CD 1 1
5 1596 1 1 17 LYS CE C 2.082 -5.371 -7.411 1.00 . A A . 17 LYS CE 1 1
5 1597 1 1 17 LYS CG C -0.362 -5.621 -6.947 1.00 . A A . 17 LYS CG 1 1
5 1598 1 1 17 LYS H H -2.900 -6.103 -5.463 1.00 . A A . 17 LYS H 1 1
5 1599 1 1 17 LYS HA H -3.443 -6.557 -8.370 1.00 . A A . 17 LYS HA 1 1
5 1600 1 1 17 LYS HB2 H -1.485 -5.213 -8.772 1.00 . A A . 17 LYS HB2 1 1
5 1601 1 1 17 LYS HB3 H -2.203 -4.496 -7.335 1.00 . A A . 17 LYS HB3 1 1
5 1602 1 1 17 LYS HD2 H 0.914 -7.209 -7.702 1.00 . A A . 17 LYS HD2 1 1
5 1603 1 1 17 LYS HD3 H 0.573 -5.931 -8.885 1.00 . A A . 17 LYS HD3 1 1
5 1604 1 1 17 LYS HE2 H 2.172 -4.418 -7.973 1.00 . A A . 17 LYS HE2 1 1
5 1605 1 1 17 LYS HE3 H 2.059 -5.088 -6.338 1.00 . A A . 17 LYS HE3 1 1
5 1606 1 1 17 LYS HG2 H -0.077 -4.683 -6.430 1.00 . A A . 17 LYS HG2 1 1
5 1607 1 1 17 LYS HG3 H -0.490 -6.372 -6.145 1.00 . A A . 17 LYS HG3 1 1
5 1608 1 1 17 LYS HZ1 H 3.090 -6.777 -8.530 1.00 . A A . 17 LYS HZ1 1 1
5 1609 1 1 17 LYS HZ2 H 4.089 -5.648 -7.784 1.00 . A A . 17 LYS HZ2 1 1
5 1610 1 1 17 LYS HZ3 H 3.384 -6.876 -6.877 1.00 . A A . 17 LYS HZ3 1 1
5 1611 1 1 17 LYS N N -3.343 -6.561 -6.288 1.00 . A A . 17 LYS N 1 1
5 1612 1 1 17 LYS NZ N 3.249 -6.233 -7.670 1.00 . A A . 17 LYS NZ 1 1
5 1613 1 1 17 LYS O O -1.109 -8.036 -8.735 1.00 . A A . 17 LYS O 1 1
5 1614 1 1 18 GLU C C -1.743 -10.723 -8.558 1.00 . A A . 18 GLU C 1 1
5 1615 1 1 18 GLU CA C -1.569 -10.237 -7.139 1.00 . A A . 18 GLU CA 1 1
5 1616 1 1 18 GLU CB C -2.238 -11.201 -6.115 1.00 . A A . 18 GLU CB 1 1
5 1617 1 1 18 GLU CD C -2.891 -13.737 -5.661 1.00 . A A . 18 GLU CD 1 1
5 1618 1 1 18 GLU CG C -1.893 -12.722 -6.223 1.00 . A A . 18 GLU CG 1 1
5 1619 1 1 18 GLU H H -2.697 -8.659 -6.104 1.00 . A A . 18 GLU H 1 1
5 1620 1 1 18 GLU HA H -0.485 -10.185 -6.933 1.00 . A A . 18 GLU HA 1 1
5 1621 1 1 18 GLU HB2 H -1.999 -10.844 -5.093 1.00 . A A . 18 GLU HB2 1 1
5 1622 1 1 18 GLU HB3 H -3.336 -11.079 -6.191 1.00 . A A . 18 GLU HB3 1 1
5 1623 1 1 18 GLU HG2 H -1.717 -12.999 -7.280 1.00 . A A . 18 GLU HG2 1 1
5 1624 1 1 18 GLU HG3 H -0.924 -12.921 -5.727 1.00 . A A . 18 GLU HG3 1 1
5 1625 1 1 18 GLU N N -2.142 -8.905 -6.954 1.00 . A A . 18 GLU N 1 1
5 1626 1 1 18 GLU O O -0.829 -10.635 -9.390 1.00 . A A . 18 GLU O 1 1
5 1627 1 1 18 GLU OE1 O -3.650 -13.251 -4.639 1.00 . A A . 18 GLU OE1 1 1
5 1628 1 1 18 GLU OE2 O -2.996 -14.877 -6.093 1.00 . A A . 18 GLU OE2 1 1
5 1629 1 1 19 ASN C C -2.989 -10.537 -11.202 1.00 . A A . 19 ASN C 1 1
5 1630 1 1 19 ASN CA C -3.235 -11.667 -10.230 1.00 . A A . 19 ASN CA 1 1
5 1631 1 1 19 ASN CB C -4.718 -12.136 -10.296 1.00 . A A . 19 ASN CB 1 1
5 1632 1 1 19 ASN CG C -5.025 -13.544 -9.775 1.00 . A A . 19 ASN CG 1 1
5 1633 1 1 19 ASN H H -3.559 -11.431 -8.067 1.00 . A A . 19 ASN H 1 1
5 1634 1 1 19 ASN HA H -2.565 -12.499 -10.519 1.00 . A A . 19 ASN HA 1 1
5 1635 1 1 19 ASN HB2 H -5.351 -11.437 -9.715 1.00 . A A . 19 ASN HB2 1 1
5 1636 1 1 19 ASN HB3 H -5.101 -12.058 -11.330 1.00 . A A . 19 ASN HB3 1 1
5 1637 1 1 19 ASN HD21 H -4.633 -14.352 -11.551 1.00 . A A . 19 ASN HD21 1 1
5 1638 1 1 19 ASN HD22 H -5.183 -15.441 -10.164 1.00 . A A . 19 ASN HD22 1 1
5 1639 1 1 19 ASN N N -2.907 -11.263 -8.865 1.00 . A A . 19 ASN N 1 1
5 1640 1 1 19 ASN ND2 N -4.875 -14.559 -10.582 1.00 . A A . 19 ASN ND2 1 1
5 1641 1 1 19 ASN O O -2.285 -10.680 -12.206 1.00 . A A . 19 ASN O 1 1
5 1642 1 1 19 ASN OD1 O -5.405 -13.749 -8.632 1.00 . A A . 19 ASN OD1 1 1
5 1643 1 1 20 GLY C C -3.838 -6.962 -11.066 1.00 . A A . 20 GLY C 1 1
5 1644 1 1 20 GLY CA C -3.483 -8.232 -11.801 1.00 . A A . 20 GLY CA 1 1
5 1645 1 1 20 GLY H H -4.150 -9.375 -10.045 1.00 . A A . 20 GLY H 1 1
5 1646 1 1 20 GLY HA2 H -2.457 -8.145 -12.203 1.00 . A A . 20 GLY HA2 1 1
5 1647 1 1 20 GLY HA3 H -4.158 -8.351 -12.668 1.00 . A A . 20 GLY HA3 1 1
5 1648 1 1 20 GLY N N -3.583 -9.393 -10.921 1.00 . A A . 20 GLY N 1 1
5 1649 1 1 20 GLY O O -2.991 -6.035 -10.876 1.00 . A A . 20 GLY O 1 1
5 1650 1 1 20 GLY OXT O -5.034 -6.877 -10.648 1.00 . A A . 20 GLY OXT 1 1
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