NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | item_count |
|
|
390247 |
1odr   |
cing | recoord | 4-filtered-FRED | STAR | entry | full | 214 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1odr
# This FRED archive file contains, for PDB entry <1odr>:
#
# - 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_1odr
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1odr
_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
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34 1 . . . 1 1
35 1 . . . 1 1
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40 1 . . . 1 1
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42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
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48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
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54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
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62 1 . . . 1 1
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65 1 . . . 1 1
66 1 . . . 1 1
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68 1 . . . 1 1
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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
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78 1 . . . 1 1
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80 1 . . . 1 1
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92 1 . . . 1 1
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94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
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100 1 . . . 1 1
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102 1 . . . 1 1
103 1 . . . 1 1
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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
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115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
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120 1 . . . 1 1
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122 1 . . . 1 1
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125 1 . . . 1 1
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127 1 . . . 1 1
128 1 . . . 1 1
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131 1 . . . 1 1
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133 1 . . . 1 1
134 1 . . . 1 1
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159 1 . . . 1 1
160 1 . . . 1 1
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162 1 . . . 1 1
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165 1 . . . 1 1
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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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211 1 . . . 1 1
212 1 . . . 1 1
213 1 . . . 1 1
214 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 HB3 1 1 TYRN HB1 1 1
3 1 1 1 1 1 TYR HA 1 1 TYRN HA 1 1
3 1 2 1 1 1 TYR QD 1 1 TYRN HD* 1 1
4 1 1 1 1 1 TYR QD 1 1 TYRN HD* 1 1
4 1 2 1 1 2 SER HA 1 2 SER HA 1 1
5 1 1 1 1 1 TYR QD 1 1 TYRN HD* 1 1
5 1 2 1 1 5 LEU MD2 1 5 LEU HD1* 1 1
6 1 1 1 1 2 SER HA 1 2 SER HA 1 1
6 1 2 1 1 2 SER HB2 1 2 SER HB2 1 1
7 1 1 1 1 2 SER HA 1 2 SER HA 1 1
7 1 2 1 1 2 SER HB3 1 2 SER HB1 1 1
8 1 1 1 1 2 SER HA 1 2 SER HA 1 1
8 1 2 1 1 3 ASP H 1 3 ASP- HN 1 1
9 1 1 1 1 2 SER HA 1 2 SER HA 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 4 GLU H 1 4 GLU- HN 1 1
11 1 1 1 1 2 SER HA 1 2 SER HA 1 1
11 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
12 1 1 1 1 2 SER HA 1 2 SER HA 1 1
12 1 2 1 1 5 LEU QB 1 5 LEU HB* 1 1
13 1 1 1 1 2 SER HB2 1 2 SER HB2 1 1
13 1 2 1 1 3 ASP H 1 3 ASP- HN 1 1
14 1 1 1 1 2 SER HB2 1 2 SER HB2 1 1
14 1 2 1 1 4 GLU H 1 4 GLU- HN 1 1
15 1 1 1 1 2 SER HB2 1 2 SER HB2 1 1
15 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
16 1 1 1 1 2 SER HB3 1 2 SER HB1 1 1
16 1 2 1 1 3 ASP H 1 3 ASP- HN 1 1
17 1 1 1 1 3 ASP H 1 3 ASP- HN 1 1
17 1 2 1 1 3 ASP HA 1 3 ASP- HA 1 1
18 1 1 1 1 3 ASP H 1 3 ASP- HN 1 1
18 1 2 1 1 3 ASP QB 1 3 ASP- HB* 1 1
19 1 1 1 1 3 ASP H 1 3 ASP- HN 1 1
19 1 2 1 1 4 GLU H 1 4 GLU- HN 1 1
20 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
20 1 2 1 1 3 ASP QB 1 3 ASP- HB* 1 1
21 1 1 1 1 3 ASP HA 1 3 ASP- HA 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 5 LEU H 1 5 LEU HN 1 1
23 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
23 1 2 1 1 6 ARG HB2 1 6 ARG+ HB2 1 1
24 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
24 1 2 1 1 6 ARG HB3 1 6 ARG+ HB1 1 1
25 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
25 1 2 1 1 6 ARG QD 1 6 ARG+ HD* 1 1
26 1 1 1 1 3 ASP HA 1 3 ASP- HA 1 1
26 1 2 1 1 7 GLN H 1 7 GLN HN 1 1
27 1 1 1 1 3 ASP QB 1 3 ASP- HB* 1 1
27 1 2 1 1 4 GLU H 1 4 GLU- HN 1 1
28 1 1 1 1 4 GLU H 1 4 GLU- HN 1 1
28 1 2 1 1 4 GLU HA 1 4 GLU- HA 1 1
29 1 1 1 1 4 GLU H 1 4 GLU- HN 1 1
29 1 2 1 1 4 GLU HB2 1 4 GLU- HB2 1 1
30 1 1 1 1 4 GLU H 1 4 GLU- HN 1 1
30 1 2 1 1 4 GLU HB3 1 4 GLU- HB1 1 1
31 1 1 1 1 4 GLU H 1 4 GLU- HN 1 1
31 1 2 1 1 4 GLU QG 1 4 GLU- HG* 1 1
32 1 1 1 1 4 GLU H 1 4 GLU- HN 1 1
32 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
33 1 1 1 1 4 GLU HA 1 4 GLU- HA 1 1
33 1 2 1 1 4 GLU HB3 1 4 GLU- HB1 1 1
34 1 1 1 1 4 GLU HA 1 4 GLU- HA 1 1
34 1 2 1 1 4 GLU QG 1 4 GLU- HG* 1 1
35 1 1 1 1 4 GLU HB2 1 4 GLU- HB2 1 1
35 1 2 1 1 5 LEU H 1 5 LEU HN 1 1
36 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
36 1 2 1 1 5 LEU HA 1 5 LEU HA 1 1
37 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
37 1 2 1 1 5 LEU QB 1 5 LEU HB* 1 1
38 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
38 1 2 1 1 5 LEU MD1 1 5 LEU HD2* 1 1
39 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
39 1 2 1 1 5 LEU MD2 1 5 LEU HD1* 1 1
40 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
40 1 2 1 1 5 LEU HG 1 5 LEU HG 1 1
41 1 1 1 1 5 LEU H 1 5 LEU HN 1 1
41 1 2 1 1 6 ARG H 1 6 ARG+ HN 1 1
42 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
42 1 2 1 1 5 LEU QB 1 5 LEU HB* 1 1
43 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
43 1 2 1 1 5 LEU MD1 1 5 LEU HD2* 1 1
44 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
44 1 2 1 1 5 LEU MD2 1 5 LEU HD1* 1 1
45 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
45 1 2 1 1 5 LEU HG 1 5 LEU HG 1 1
46 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
46 1 2 1 1 6 ARG H 1 6 ARG+ HN 1 1
47 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
47 1 2 1 1 8 ARG H 1 8 ARG+ HN 1 1
48 1 1 1 1 5 LEU HA 1 5 LEU HA 1 1
48 1 2 1 1 8 ARG QB 1 8 ARG+ HB* 1 1
49 1 1 1 1 5 LEU QB 1 5 LEU HB* 1 1
49 1 2 1 1 6 ARG H 1 6 ARG+ HN 1 1
50 1 1 1 1 5 LEU MD2 1 5 LEU HD1* 1 1
50 1 2 1 1 8 ARG H 1 8 ARG+ HN 1 1
51 1 1 1 1 6 ARG H 1 6 ARG+ HN 1 1
51 1 2 1 1 6 ARG HA 1 6 ARG+ HA 1 1
52 1 1 1 1 6 ARG H 1 6 ARG+ HN 1 1
52 1 2 1 1 6 ARG HB2 1 6 ARG+ HB2 1 1
53 1 1 1 1 6 ARG H 1 6 ARG+ HN 1 1
53 1 2 1 1 6 ARG HB3 1 6 ARG+ HB1 1 1
54 1 1 1 1 6 ARG H 1 6 ARG+ HN 1 1
54 1 2 1 1 6 ARG QD 1 6 ARG+ HD* 1 1
55 1 1 1 1 6 ARG H 1 6 ARG+ HN 1 1
55 1 2 1 1 6 ARG HG2 1 6 ARG+ HG2 1 1
56 1 1 1 1 6 ARG H 1 6 ARG+ HN 1 1
56 1 2 1 1 7 GLN H 1 7 GLN HN 1 1
57 1 1 1 1 6 ARG H 1 6 ARG+ HN 1 1
57 1 2 1 1 9 LEU QD 1 9 LEU HD* 1 1
58 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
58 1 2 1 1 6 ARG HB2 1 6 ARG+ HB2 1 1
59 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
59 1 2 1 1 6 ARG HB3 1 6 ARG+ HB1 1 1
60 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
60 1 2 1 1 6 ARG QD 1 6 ARG+ HD* 1 1
61 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
61 1 2 1 1 7 GLN H 1 7 GLN HN 1 1
62 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
62 1 2 1 1 8 ARG H 1 8 ARG+ HN 1 1
63 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
63 1 2 1 1 9 LEU H 1 9 LEU HN 1 1
64 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
64 1 2 1 1 9 LEU QB 1 9 LEU HB* 1 1
65 1 1 1 1 6 ARG HA 1 6 ARG+ HA 1 1
65 1 2 1 1 10 ALA H 1 10 ALA HN 1 1
66 1 1 1 1 6 ARG HB2 1 6 ARG+ HB2 1 1
66 1 2 1 1 6 ARG QD 1 6 ARG+ HD* 1 1
67 1 1 1 1 6 ARG HB2 1 6 ARG+ HB2 1 1
67 1 2 1 1 7 GLN H 1 7 GLN HN 1 1
68 1 1 1 1 6 ARG HB3 1 6 ARG+ HB1 1 1
68 1 2 1 1 6 ARG QD 1 6 ARG+ HD* 1 1
69 1 1 1 1 6 ARG HB3 1 6 ARG+ HB1 1 1
69 1 2 1 1 7 GLN H 1 7 GLN HN 1 1
70 1 1 1 1 6 ARG QD 1 6 ARG+ HD* 1 1
70 1 2 1 1 6 ARG QH 1 6 ARG+ HH* 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 HA 1 7 GLN HA 1 1
75 1 2 1 1 7 GLN QB 1 7 GLN HB* 1 1
76 1 1 1 1 7 GLN HA 1 7 GLN HA 1 1
76 1 2 1 1 7 GLN HG2 1 7 GLN HG2 1 1
77 1 1 1 1 7 GLN HA 1 7 GLN HA 1 1
77 1 2 1 1 7 GLN HG3 1 7 GLN HG1 1 1
78 1 1 1 1 7 GLN HA 1 7 GLN HA 1 1
78 1 2 1 1 10 ALA H 1 10 ALA HN 1 1
79 1 1 1 1 7 GLN HA 1 7 GLN HA 1 1
79 1 2 1 1 10 ALA MB 1 10 ALA HB* 1 1
80 1 1 1 1 7 GLN HA 1 7 GLN HA 1 1
80 1 2 1 1 11 ALA H 1 11 ALA HN 1 1
81 1 1 1 1 7 GLN QB 1 7 GLN HB* 1 1
81 1 2 1 1 7 GLN HG3 1 7 GLN HG1 1 1
82 1 1 1 1 7 GLN QB 1 7 GLN HB* 1 1
82 1 2 1 1 8 ARG H 1 8 ARG+ HN 1 1
83 1 1 1 1 7 GLN HE21 1 7 GLN HE21 1 1
83 1 2 1 1 7 GLN HG3 1 7 GLN HG1 1 1
84 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1
84 1 2 1 1 8 ARG HA 1 8 ARG+ HA 1 1
85 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1
85 1 2 1 1 8 ARG QB 1 8 ARG+ HB* 1 1
86 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1
86 1 2 1 1 8 ARG QD 1 8 ARG+ HD* 1 1
87 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1
87 1 2 1 1 8 ARG HG2 1 8 ARG+ HG2 1 1
88 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1
88 1 2 1 1 9 LEU H 1 9 LEU HN 1 1
89 1 1 1 1 8 ARG HA 1 8 ARG+ HA 1 1
89 1 2 1 1 8 ARG QB 1 8 ARG+ HB* 1 1
90 1 1 1 1 8 ARG HA 1 8 ARG+ HA 1 1
90 1 2 1 1 8 ARG QD 1 8 ARG+ HD* 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 QB 1 8 ARG+ HB* 1 1
94 1 2 1 1 8 ARG QD 1 8 ARG+ HD* 1 1
95 1 1 1 1 8 ARG QB 1 8 ARG+ HB* 1 1
95 1 2 1 1 9 LEU H 1 9 LEU HN 1 1
96 1 1 1 1 9 LEU H 1 9 LEU HN 1 1
96 1 2 1 1 9 LEU HA 1 9 LEU HA 1 1
97 1 1 1 1 9 LEU H 1 9 LEU HN 1 1
97 1 2 1 1 9 LEU QB 1 9 LEU HB* 1 1
98 1 1 1 1 9 LEU H 1 9 LEU HN 1 1
98 1 2 1 1 9 LEU QD 1 9 LEU HD* 1 1
99 1 1 1 1 9 LEU H 1 9 LEU HN 1 1
99 1 2 1 1 9 LEU HG 1 9 LEU HG 1 1
100 1 1 1 1 9 LEU H 1 9 LEU HN 1 1
100 1 2 1 1 10 ALA H 1 10 ALA HN 1 1
101 1 1 1 1 9 LEU HA 1 9 LEU HA 1 1
101 1 2 1 1 9 LEU QB 1 9 LEU HB* 1 1
102 1 1 1 1 9 LEU HA 1 9 LEU HA 1 1
102 1 2 1 1 9 LEU HG 1 9 LEU HG 1 1
103 1 1 1 1 9 LEU HA 1 9 LEU HA 1 1
103 1 2 1 1 12 ARG H 1 12 ARG+ HN 1 1
104 1 1 1 1 9 LEU HA 1 9 LEU HA 1 1
104 1 2 1 1 12 ARG HB2 1 12 ARG+ HB1 1 1
105 1 1 1 1 9 LEU HA 1 9 LEU HA 1 1
105 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
106 1 1 1 1 9 LEU QB 1 9 LEU HB* 1 1
106 1 2 1 1 10 ALA H 1 10 ALA HN 1 1
107 1 1 1 1 9 LEU QD 1 9 LEU HD* 1 1
107 1 2 1 1 10 ALA H 1 10 ALA HN 1 1
108 1 1 1 1 9 LEU QD 1 9 LEU HD* 1 1
108 1 2 1 1 12 ARG H 1 12 ARG+ HN 1 1
109 1 1 1 1 9 LEU HG 1 9 LEU HG 1 1
109 1 2 1 1 10 ALA H 1 10 ALA HN 1 1
110 1 1 1 1 10 ALA H 1 10 ALA HN 1 1
110 1 2 1 1 10 ALA HA 1 10 ALA HA 1 1
111 1 1 1 1 10 ALA H 1 10 ALA HN 1 1
111 1 2 1 1 10 ALA MB 1 10 ALA HB* 1 1
112 1 1 1 1 10 ALA H 1 10 ALA HN 1 1
112 1 2 1 1 11 ALA H 1 11 ALA HN 1 1
113 1 1 1 1 10 ALA HA 1 10 ALA HA 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 12 ARG H 1 12 ARG+ HN 1 1
115 1 1 1 1 10 ALA HA 1 10 ALA HA 1 1
115 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
116 1 1 1 1 10 ALA HA 1 10 ALA HA 1 1
116 1 2 1 1 13 LEU QB 1 13 LEU HB* 1 1
117 1 1 1 1 10 ALA HA 1 10 ALA HA 1 1
117 1 2 1 1 13 LEU QD 1 13 LEU HD* 1 1
118 1 1 1 1 11 ALA H 1 11 ALA HN 1 1
118 1 2 1 1 11 ALA HA 1 11 ALA HA 1 1
119 1 1 1 1 11 ALA H 1 11 ALA HN 1 1
119 1 2 1 1 11 ALA MB 1 11 ALA HB* 1 1
120 1 1 1 1 11 ALA H 1 11 ALA HN 1 1
120 1 2 1 1 12 ARG H 1 12 ARG+ HN 1 1
121 1 1 1 1 11 ALA HA 1 11 ALA HA 1 1
121 1 2 1 1 14 GLU H 1 14 GLU- HN 1 1
122 1 1 1 1 11 ALA HA 1 11 ALA HA 1 1
122 1 2 1 1 14 GLU QB 1 14 GLU- HB* 1 1
123 1 1 1 1 11 ALA HA 1 11 ALA HA 1 1
123 1 2 1 1 14 GLU HG3 1 14 GLU- HG1 1 1
124 1 1 1 1 12 ARG H 1 12 ARG+ HN 1 1
124 1 2 1 1 12 ARG HA 1 12 ARG+ HA 1 1
125 1 1 1 1 12 ARG H 1 12 ARG+ HN 1 1
125 1 2 1 1 12 ARG HB2 1 12 ARG+ HB1 1 1
126 1 1 1 1 12 ARG H 1 12 ARG+ HN 1 1
126 1 2 1 1 12 ARG HB3 1 12 ARG+ HB2 1 1
127 1 1 1 1 12 ARG H 1 12 ARG+ HN 1 1
127 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
128 1 1 1 1 12 ARG HA 1 12 ARG+ HA 1 1
128 1 2 1 1 12 ARG HB2 1 12 ARG+ HB1 1 1
129 1 1 1 1 12 ARG HA 1 12 ARG+ HA 1 1
129 1 2 1 1 12 ARG HB3 1 12 ARG+ HB2 1 1
130 1 1 1 1 12 ARG HA 1 12 ARG+ HA 1 1
130 1 2 1 1 12 ARG QD 1 12 ARG+ HD* 1 1
131 1 1 1 1 12 ARG HA 1 12 ARG+ HA 1 1
131 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
132 1 1 1 1 12 ARG HB2 1 12 ARG+ HB1 1 1
132 1 2 1 1 12 ARG QD 1 12 ARG+ HD* 1 1
133 1 1 1 1 12 ARG HB2 1 12 ARG+ HB1 1 1
133 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
134 1 1 1 1 12 ARG HB3 1 12 ARG+ HB2 1 1
134 1 2 1 1 12 ARG QD 1 12 ARG+ HD* 1 1
135 1 1 1 1 12 ARG HB3 1 12 ARG+ HB2 1 1
135 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
136 1 1 1 1 12 ARG QD 1 12 ARG+ HD* 1 1
136 1 2 1 1 12 ARG HE 1 12 ARG+ HE 1 1
137 1 1 1 1 12 ARG QD 1 12 ARG+ HD* 1 1
137 1 2 1 1 12 ARG QH 1 12 ARG+ HH* 1 1
138 1 1 1 1 13 LEU H 1 13 LEU HN 1 1
138 1 2 1 1 13 LEU HA 1 13 LEU HA 1 1
139 1 1 1 1 13 LEU H 1 13 LEU HN 1 1
139 1 2 1 1 13 LEU QB 1 13 LEU HB* 1 1
140 1 1 1 1 13 LEU H 1 13 LEU HN 1 1
140 1 2 1 1 13 LEU QD 1 13 LEU HD* 1 1
141 1 1 1 1 13 LEU H 1 13 LEU HN 1 1
141 1 2 1 1 13 LEU HG 1 13 LEU HG 1 1
142 1 1 1 1 13 LEU H 1 13 LEU HN 1 1
142 1 2 1 1 14 GLU H 1 14 GLU- HN 1 1
143 1 1 1 1 13 LEU HA 1 13 LEU HA 1 1
143 1 2 1 1 15 ALA H 1 15 ALA HN 1 1
144 1 1 1 1 13 LEU HA 1 13 LEU HA 1 1
144 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
145 1 1 1 1 13 LEU HA 1 13 LEU HA 1 1
145 1 2 1 1 16 LEU QB 1 16 LEU HB1 1 1
146 1 1 1 1 13 LEU HA 1 13 LEU HA 1 1
146 1 2 1 1 17 LYS H 1 17 LYS+ HN 1 1
147 1 1 1 1 13 LEU QB 1 13 LEU HB* 1 1
147 1 2 1 1 14 GLU H 1 14 GLU- HN 1 1
148 1 1 1 1 14 GLU H 1 14 GLU- HN 1 1
148 1 2 1 1 14 GLU HA 1 14 GLU- HA 1 1
149 1 1 1 1 14 GLU H 1 14 GLU- HN 1 1
149 1 2 1 1 14 GLU QB 1 14 GLU- HB* 1 1
150 1 1 1 1 14 GLU H 1 14 GLU- HN 1 1
150 1 2 1 1 14 GLU HG2 1 14 GLU- HG2 1 1
151 1 1 1 1 14 GLU H 1 14 GLU- HN 1 1
151 1 2 1 1 14 GLU HG3 1 14 GLU- HG1 1 1
152 1 1 1 1 14 GLU H 1 14 GLU- HN 1 1
152 1 2 1 1 15 ALA H 1 15 ALA HN 1 1
153 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
153 1 2 1 1 14 GLU QB 1 14 GLU- HB* 1 1
154 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
154 1 2 1 1 14 GLU HG2 1 14 GLU- HG2 1 1
155 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
155 1 2 1 1 14 GLU HG3 1 14 GLU- HG1 1 1
156 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
156 1 2 1 1 15 ALA H 1 15 ALA HN 1 1
157 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
157 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
158 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
158 1 2 1 1 17 LYS H 1 17 LYS+ HN 1 1
159 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
159 1 2 1 1 17 LYS HB2 1 17 LYS+ HB1 1 1
160 1 1 1 1 14 GLU HA 1 14 GLU- HA 1 1
160 1 2 1 1 18 GLU H 1 18 GLU- HN 1 1
161 1 1 1 1 14 GLU QB 1 14 GLU- HB* 1 1
161 1 2 1 1 15 ALA H 1 15 ALA HN 1 1
162 1 1 1 1 15 ALA H 1 15 ALA HN 1 1
162 1 2 1 1 15 ALA HA 1 15 ALA HA 1 1
163 1 1 1 1 15 ALA H 1 15 ALA HN 1 1
163 1 2 1 1 15 ALA MB 1 15 ALA HB* 1 1
164 1 1 1 1 15 ALA H 1 15 ALA HN 1 1
164 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
165 1 1 1 1 15 ALA H 1 15 ALA HN 1 1
165 1 2 1 1 16 LEU QB 1 16 LEU HB1 1 1
166 1 1 1 1 15 ALA H 1 15 ALA HN 1 1
166 1 2 1 1 16 LEU HG 1 16 LEU HG 1 1
167 1 1 1 1 15 ALA HA 1 15 ALA HA 1 1
167 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
168 1 1 1 1 15 ALA MB 1 15 ALA HB* 1 1
168 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
169 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
169 1 2 1 1 16 LEU HA 1 16 LEU HA 1 1
170 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
170 1 2 1 1 16 LEU QB 1 16 LEU HB1 1 1
171 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
171 1 2 1 1 16 LEU MD1 1 16 LEU HD1* 1 1
172 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
172 1 2 1 1 16 LEU MD2 1 16 LEU HD2* 1 1
173 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
173 1 2 1 1 16 LEU HG 1 16 LEU HG 1 1
174 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
174 1 2 1 1 17 LYS H 1 17 LYS+ HN 1 1
175 1 1 1 1 16 LEU HA 1 16 LEU HA 1 1
175 1 2 1 1 16 LEU QB 1 16 LEU HB1 1 1
176 1 1 1 1 16 LEU HA 1 16 LEU HA 1 1
176 1 2 1 1 16 LEU HG 1 16 LEU HG 1 1
177 1 1 1 1 16 LEU MD1 1 16 LEU HD1* 1 1
177 1 2 1 1 17 LYS H 1 17 LYS+ HN 1 1
178 1 1 1 1 16 LEU MD2 1 16 LEU HD2* 1 1
178 1 2 1 1 17 LYS H 1 17 LYS+ HN 1 1
179 1 1 1 1 16 LEU HG 1 16 LEU HG 1 1
179 1 2 1 1 17 LYS H 1 17 LYS+ HN 1 1
180 1 1 1 1 17 LYS H 1 17 LYS+ HN 1 1
180 1 2 1 1 17 LYS HA 1 17 LYS+ HA 1 1
181 1 1 1 1 17 LYS H 1 17 LYS+ HN 1 1
181 1 2 1 1 17 LYS HB2 1 17 LYS+ HB1 1 1
182 1 1 1 1 17 LYS H 1 17 LYS+ HN 1 1
182 1 2 1 1 17 LYS HB3 1 17 LYS+ HB2 1 1
183 1 1 1 1 17 LYS H 1 17 LYS+ HN 1 1
183 1 2 1 1 17 LYS HG3 1 17 LYS+ HG1 1 1
184 1 1 1 1 17 LYS H 1 17 LYS+ HN 1 1
184 1 2 1 1 18 GLU H 1 18 GLU- HN 1 1
185 1 1 1 1 17 LYS HA 1 17 LYS+ HA 1 1
185 1 2 1 1 17 LYS HB3 1 17 LYS+ HB2 1 1
186 1 1 1 1 17 LYS HA 1 17 LYS+ HA 1 1
186 1 2 1 1 17 LYS HG2 1 17 LYS+ HG2 1 1
187 1 1 1 1 17 LYS HA 1 17 LYS+ HA 1 1
187 1 2 1 1 17 LYS HG3 1 17 LYS+ HG1 1 1
188 1 1 1 1 17 LYS HA 1 17 LYS+ HA 1 1
188 1 2 1 1 18 GLU H 1 18 GLU- HN 1 1
189 1 1 1 1 17 LYS HA 1 17 LYS+ HA 1 1
189 1 2 1 1 20 GLY H 1 20 GLYC HN 1 1
190 1 1 1 1 17 LYS HB2 1 17 LYS+ HB1 1 1
190 1 2 1 1 17 LYS QE 1 17 LYS+ HE* 1 1
191 1 1 1 1 17 LYS HB2 1 17 LYS+ HB1 1 1
191 1 2 1 1 18 GLU H 1 18 GLU- HN 1 1
192 1 1 1 1 17 LYS HB3 1 17 LYS+ HB2 1 1
192 1 2 1 1 18 GLU H 1 18 GLU- HN 1 1
193 1 1 1 1 18 GLU H 1 18 GLU- HN 1 1
193 1 2 1 1 18 GLU HA 1 18 GLU- HA 1 1
194 1 1 1 1 18 GLU H 1 18 GLU- HN 1 1
194 1 2 1 1 18 GLU HB2 1 18 GLU- HB2 1 1
195 1 1 1 1 18 GLU H 1 18 GLU- HN 1 1
195 1 2 1 1 18 GLU HB3 1 18 GLU- HB1 1 1
196 1 1 1 1 18 GLU H 1 18 GLU- HN 1 1
196 1 2 1 1 18 GLU HG2 1 18 GLU- HG2 1 1
197 1 1 1 1 18 GLU H 1 18 GLU- HN 1 1
197 1 2 1 1 18 GLU HG3 1 18 GLU- HG1 1 1
198 1 1 1 1 18 GLU H 1 18 GLU- HN 1 1
198 1 2 1 1 19 ASN H 1 19 ASN HN 1 1
199 1 1 1 1 18 GLU HA 1 18 GLU- HA 1 1
199 1 2 1 1 18 GLU HB2 1 18 GLU- HB2 1 1
200 1 1 1 1 18 GLU HA 1 18 GLU- HA 1 1
200 1 2 1 1 18 GLU HB3 1 18 GLU- HB1 1 1
201 1 1 1 1 18 GLU HA 1 18 GLU- HA 1 1
201 1 2 1 1 18 GLU HG2 1 18 GLU- HG2 1 1
202 1 1 1 1 18 GLU HA 1 18 GLU- HA 1 1
202 1 2 1 1 18 GLU HG3 1 18 GLU- HG1 1 1
203 1 1 1 1 18 GLU HA 1 18 GLU- HA 1 1
203 1 2 1 1 19 ASN H 1 19 ASN HN 1 1
204 1 1 1 1 18 GLU HB2 1 18 GLU- HB2 1 1
204 1 2 1 1 19 ASN H 1 19 ASN HN 1 1
205 1 1 1 1 18 GLU HB3 1 18 GLU- HB1 1 1
205 1 2 1 1 19 ASN H 1 19 ASN HN 1 1
206 1 1 1 1 19 ASN H 1 19 ASN HN 1 1
206 1 2 1 1 19 ASN HA 1 19 ASN HA 1 1
207 1 1 1 1 19 ASN H 1 19 ASN HN 1 1
207 1 2 1 1 19 ASN HB2 1 19 ASN HB2 1 1
208 1 1 1 1 19 ASN H 1 19 ASN HN 1 1
208 1 2 1 1 19 ASN HB3 1 19 ASN HB1 1 1
209 1 1 1 1 19 ASN H 1 19 ASN HN 1 1
209 1 2 1 1 20 GLY H 1 20 GLYC HN 1 1
210 1 1 1 1 19 ASN HA 1 19 ASN HA 1 1
210 1 2 1 1 19 ASN HB2 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 19 ASN HB3 1 19 ASN HB1 1 1
212 1 1 1 1 19 ASN HA 1 19 ASN HA 1 1
212 1 2 1 1 20 GLY H 1 20 GLYC HN 1 1
213 1 1 1 1 20 GLY H 1 20 GLYC HN 1 1
213 1 2 1 1 20 GLY HA2 1 20 GLYC HA2 1 1
214 1 1 1 1 20 GLY H 1 20 GLYC HN 1 1
214 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 . . . . . 3.39 2.51 3.5 1 1
3 1 . . . . . 3.5 2.51 5.5 1 1
4 1 . . . . . 5.0 3.51 7.0 1 1
5 1 . . . . . 5.0 3.51 8.6 1 1
6 1 . . . . . 5.0 2.51 5.0 1 1
7 1 . . . . . 5.0 2.51 5.0 1 1
8 1 . . . . . 2.5 1.8 2.8 1 1
9 1 . . . . . 5.0 3.51 6.0 1 1
10 1 . . . . . 5.0 3.51 5.95 1 1
11 1 . . . . . 5.0 3.51 6.0 1 1
12 1 . . . . . 5.0 3.51 6.8 1 1
13 1 . . . . . 5.0 3.51 5.5 1 1
14 1 . . . . . 5.0 3.51 6.5 1 1
15 1 . . . . . 5.0 3.51 6.5 1 1
16 1 . . . . . 5.0 3.51 5.0 1 1
17 1 . . . . . 2.5 1.8 3.0 1 1
18 1 . . . . . 2.5 1.8 3.8 1 1
19 1 . . . . . 5.0 1.8 5.0 1 1
20 1 . . . . . 2.5 1.8 3.5 1 1
21 1 . . . . . 3.5 2.41 3.5 1 1
22 1 . . . . . 5.0 3.51 5.0 1 1
23 1 . . . . . 5.0 3.51 5.0 1 1
24 1 . . . . . 3.5 2.51 4.5 1 1
25 1 . . . . . 5.0 3.51 6.15 1 1
26 1 . . . . . 5.0 3.51 5.25 1 1
27 1 . . . . . 2.5 1.8 4.05 1 1
28 1 . . . . . 2.5 1.8 3.01 1 1
29 1 . . . . . 3.5 2.51 3.95 1 1
30 1 . . . . . 3.503 2.51 3.8 1 1
31 1 . . . . . 3.5 2.51 4.5 1 1
32 1 . . . . . 2.5 1.8 2.8 1 1
33 1 . . . . . 2.5 1.8 3.0 1 1
34 1 . . . . . 3.5 2.51 4.5 1 1
35 1 . . . . . 3.389 2.51 3.85 1 1
36 1 . . . . . 2.5 1.8 3.02 1 1
37 1 . . . . . 3.5 1.8 3.5 1 1
38 1 . . . . . 5.0 3.51 6.5 1 1
39 1 . . . . . 5.0 3.51 6.5 1 1
40 1 . . . . . 3.5 2.51 3.6 1 1
41 1 . . . . . 2.5 1.8 2.8 1 1
42 1 . . . . . 2.5 1.8 3.5 1 1
43 1 . . . . . 5.0 2.51 5.5 1 1
44 1 . . . . . 3.5 2.51 5.0 1 1
45 1 . . . . . 3.5 2.51 3.5 1 1
46 1 . . . . . 3.5 2.51 3.5 1 1
47 1 . . . . . 3.5 2.51 3.5 1 1
48 1 . . . . . 3.5 2.51 4.5 1 1
49 1 . . . . . 3.5 1.8 3.8 1 1
50 1 . . . . . 5.0 3.51 7.5 1 1
51 1 . . . . . 2.5 1.8 3.0 1 1
52 1 . . . . . 2.5 1.8 2.8 1 1
53 1 . . . . . 2.5 1.8 2.8 1 1
54 1 . . . . . 4.92 3.51 6.0 1 1
55 1 . . . . . 5.0 3.51 5.0 1 1
56 1 . . . . . 3.5 1.8 3.5 1 1
57 1 . . . . . 5.0 3.51 7.4 1 1
58 1 . . . . . 2.5 1.8 3.05 1 1
59 1 . . . . . 2.5 1.8 3.05 1 1
60 1 . . . . . 5.0 3.41 6.0 1 1
61 1 . . . . . 3.5 2.51 3.5 1 1
62 1 . . . . . 5.0 3.51 5.0 1 1
63 1 . . . . . 3.5 2.51 3.5 1 1
64 1 . . . . . 2.5 1.8 3.97 1 1
65 1 . . . . . 5.0 3.51 5.0 1 1
66 1 . . . . . 5.0 2.51 4.5 1 1
67 1 . . . . . 3.5 2.51 3.7 1 1
68 1 . . . . . 5.0 2.51 4.5 1 1
69 1 . . . . . 3.5 2.51 3.7 1 1
70 1 . . . . . 3.5 2.51 5.5 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 3.5 1 1
76 1 . . . . . 3.389 2.51 3.9 1 1
77 1 . . . . . 3.389 2.51 4.2 1 1
78 1 . . . . . 3.5 2.51 3.5 1 1
79 1 . . . . . 3.5 2.51 5.0 1 1
80 1 . . . . . 5.0 3.51 5.0 1 1
81 1 . . . . . 3.5 2.51 4.5 1 1
82 1 . . . . . 3.5 2.51 4.5 1 1
83 1 . . . . . 5.0 2.51 5.0 1 1
84 1 . . . . . 2.5 1.8 2.95 1 1
85 1 . . . . . 2.5 1.8 3.8 1 1
86 1 . . . . . 5.0 3.51 6.0 1 1
87 1 . . . . . 3.5 2.51 3.8 1 1
88 1 . . . . . 2.5 1.8 2.8 1 1
89 1 . . . . . 2.5 1.8 3.52 1 1
90 1 . . . . . 5.0 3.51 6.0 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 2.51 5.5 1 1
95 1 . . . . . 3.5 1.8 3.5 1 1
96 1 . . . . . 2.5 1.8 2.95 1 1
97 1 . . . . . 2.5 1.8 3.5 1 1
98 1 . . . . . 5.0 2.51 5.9 1 1
99 1 . . . . . 3.5 2.51 3.87 1 1
100 1 . . . . . 2.5 1.8 2.8 1 1
101 1 . . . . . 2.5 1.8 3.5 1 1
102 1 . . . . . 3.5 2.51 3.8 1 1
103 1 . . . . . 3.5 2.51 3.52 1 1
104 1 . . . . . 3.5 2.51 3.5 1 1
105 1 . . . . . 5.0 3.51 5.0 1 1
106 1 . . . . . 3.5 1.8 3.5 1 1
107 1 . . . . . 5.0 3.51 7.4 1 1
108 1 . . . . . 5.0 3.51 7.4 1 1
109 1 . . . . . 3.5 2.51 3.8 1 1
110 1 . . . . . 2.5 1.8 2.9 1 1
111 1 . . . . . 2.5 1.8 4.0 1 1
112 1 . . . . . 2.5 1.8 2.8 1 1
113 1 . . . . . 3.5 2.51 3.5 1 1
114 1 . . . . . 5.0 3.51 5.0 1 1
115 1 . . . . . 3.5 2.51 3.5 1 1
116 1 . . . . . 3.5 2.51 4.5 1 1
117 1 . . . . . 3.5 2.51 5.9 1 1
118 1 . . . . . 2.5 1.8 2.99 1 1
119 1 . . . . . 2.5 1.8 4.0 1 1
120 1 . . . . . 2.5 1.8 2.8 1 1
121 1 . . . . . 3.5 2.51 3.61 1 1
122 1 . . . . . 3.5 1.8 3.8 1 1
123 1 . . . . . 5.0 3.51 5.0 1 1
124 1 . . . . . 2.5 1.8 2.96 1 1
125 1 . . . . . 2.5 1.8 2.8 1 1
126 1 . . . . . 3.5 2.51 3.68 1 1
127 1 . . . . . 2.5 1.8 2.8 1 1
128 1 . . . . . 2.5 1.8 3.08 1 1
129 1 . . . . . 2.5 1.8 3.08 1 1
130 1 . . . . . 3.385 1.8 4.5 1 1
131 1 . . . . . 3.5 2.51 3.5 1 1
132 1 . . . . . 5.0 2.51 4.5 1 1
133 1 . . . . . 3.5 2.51 3.9 1 1
134 1 . . . . . 5.0 2.51 4.5 1 1
135 1 . . . . . 3.5 2.51 3.9 1 1
136 1 . . . . . 2.5 1.8 3.52 1 1
137 1 . . . . . 3.5 2.51 5.5 1 1
138 1 . . . . . 2.5 1.8 2.93 1 1
139 1 . . . . . 2.5 1.8 3.5 1 1
140 1 . . . . . 3.5 2.51 5.9 1 1
141 1 . . . . . 3.5 2.51 3.5 1 1
142 1 . . . . . 3.5 1.8 3.5 1 1
143 1 . . . . . 5.0 3.51 5.0 1 1
144 1 . . . . . 3.5 2.51 3.6 1 1
145 1 . . . . . 3.5 2.51 3.5 1 1
146 1 . . . . . 5.0 3.51 5.0 1 1
147 1 . . . . . 2.5 1.8 3.7 1 1
148 1 . . . . . 2.5 1.8 2.9 1 1
149 1 . . . . . 2.5 1.8 3.8 1 1
150 1 . . . . . 5.0 3.51 5.0 1 1
151 1 . . . . . 5.0 3.51 5.004 1 1
152 1 . . . . . 2.5 1.8 2.8 1 1
153 1 . . . . . 2.342 1.8 3.83 1 1
154 1 . . . . . 3.5 2.51 3.9 1 1
155 1 . . . . . 3.5 2.51 3.81 1 1
156 1 . . . . . 3.5 2.51 3.5 1 1
157 1 . . . . . 5.0 3.51 5.0 1 1
158 1 . . . . . 3.5 2.51 3.97 1 1
159 1 . . . . . 5.0 3.51 5.25 1 1
160 1 . . . . . 5.0 3.51 6.15 1 1
161 1 . . . . . 3.5 1.8 3.5 1 1
162 1 . . . . . 2.5 1.8 2.95 1 1
163 1 . . . . . 2.5 1.8 4.0 1 1
164 1 . . . . . 2.5 1.8 2.8 1 1
165 1 . . . . . 5.0 3.51 6.0 1 1
166 1 . . . . . 5.0 3.51 5.5 1 1
167 1 . . . . . 3.5 2.51 3.5 1 1
168 1 . . . . . 3.5 2.51 5.0 1 1
169 1 . . . . . 2.5 1.8 2.97 1 1
170 1 . . . . . 3.5 1.8 3.7 1 1
171 1 . . . . . 4.739 3.51 6.5 1 1
172 1 . . . . . 5.0 3.51 6.5 1 1
173 1 . . . . . 3.5 2.51 3.8 1 1
174 1 . . . . . 3.5 1.8 3.5 1 1
175 1 . . . . . 2.5 1.8 3.0 1 1
176 1 . . . . . 3.5 2.51 3.7 1 1
177 1 . . . . . 5.0 3.51 6.5 1 1
178 1 . . . . . 5.0 3.51 6.5 1 1
179 1 . . . . . 5.0 3.51 5.0 1 1
180 1 . . . . . 2.5 1.8 2.96 1 1
181 1 . . . . . 2.5 1.8 3.5 1 1
182 1 . . . . . 2.5 1.8 3.5 1 1
183 1 . . . . . 5.0 3.51 5.1 1 1
184 1 . . . . . 2.5 1.8 2.85 1 1
185 1 . . . . . 3.5 2.51 3.5 1 1
186 1 . . . . . 5.0 3.51 5.0 1 1
187 1 . . . . . 5.0 3.51 5.0 1 1
188 1 . . . . . 2.5 1.8 3.5 1 1
189 1 . . . . . 5.0 3.51 5.3 1 1
190 1 . . . . . 5.0 3.51 6.0 1 1
191 1 . . . . . 5.0 3.51 5.0 1 1
192 1 . . . . . 5.0 3.51 5.0 1 1
193 1 . . . . . 2.5 1.8 2.98 1 1
194 1 . . . . . 2.5 1.8 2.8 1 1
195 1 . . . . . 2.5 1.8 2.8 1 1
196 1 . . . . . 5.0 2.51 5.0 1 1
197 1 . . . . . 5.0 2.51 5.0 1 1
198 1 . . . . . 5.0 1.8 5.0 1 1
199 1 . . . . . 2.5 1.8 3.05 1 1
200 1 . . . . . 2.5 1.8 3.05 1 1
201 1 . . . . . 5.0 2.51 5.0 1 1
202 1 . . . . . 5.0 2.51 5.0 1 1
203 1 . . . . . 2.5 1.8 3.5 1 1
204 1 . . . . . 5.0 3.51 5.0 1 1
205 1 . . . . . 5.0 3.51 5.0 1 1
206 1 . . . . . 3.5 2.51 3.5 1 1
207 1 . . . . . 3.5 3.01 4.5 1 1
208 1 . . . . . 5.0 3.51 5.0 1 1
209 1 . . . . . 5.0 1.8 5.0 1 1
210 1 . . . . . 3.5 2.51 3.55 1 1
211 1 . . . . . 3.589 2.51 3.55 1 1
212 1 . . . . . 5.0 3.51 5.0 1 1
213 1 . . . . . 3.5 2.51 3.5 1 1
214 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 12.249 -3.243 4.407 1.00 . A A . 1 TYR C 1 1
1 2 1 1 1 TYR CA C 13.721 -2.919 4.495 1.00 . A A . 1 TYR CA 1 1
1 3 1 1 1 TYR CB C 14.297 -2.912 3.049 1.00 . A A . 1 TYR CB 1 1
1 4 1 1 1 TYR CD1 C 16.531 -2.057 3.935 1.00 . A A . 1 TYR CD1 1 1
1 5 1 1 1 TYR CD2 C 16.412 -2.849 1.654 1.00 . A A . 1 TYR CD2 1 1
1 6 1 1 1 TYR CE1 C 17.881 -1.765 3.759 1.00 . A A . 1 TYR CE1 1 1
1 7 1 1 1 TYR CE2 C 17.761 -2.557 1.482 1.00 . A A . 1 TYR CE2 1 1
1 8 1 1 1 TYR CG C 15.788 -2.598 2.883 1.00 . A A . 1 TYR CG 1 1
1 9 1 1 1 TYR CZ C 18.495 -2.017 2.535 1.00 . A A . 1 TYR CZ 1 1
1 10 1 1 1 TYR H1 H 13.789 -4.224 6.073 1.00 . A A . 1 TYR H1 1 1
1 11 1 1 1 TYR H2 H 14.721 -4.689 4.752 1.00 . A A . 1 TYR H2 1 1
1 12 1 1 1 TYR H3 H 15.247 -3.447 5.757 1.00 . A A . 1 TYR H3 1 1
1 13 1 1 1 TYR HA H 13.822 -1.916 4.952 1.00 . A A . 1 TYR HA 1 1
1 14 1 1 1 TYR HB2 H 14.074 -3.890 2.564 1.00 . A A . 1 TYR HB2 1 1
1 15 1 1 1 TYR HB3 H 13.734 -2.185 2.428 1.00 . A A . 1 TYR HB3 1 1
1 16 1 1 1 TYR HD1 H 16.064 -1.861 4.890 1.00 . A A . 1 TYR HD1 1 1
1 17 1 1 1 TYR HD2 H 15.849 -3.276 0.836 1.00 . A A . 1 TYR HD2 1 1
1 18 1 1 1 TYR HE1 H 18.457 -1.349 4.573 1.00 . A A . 1 TYR HE1 1 1
1 19 1 1 1 TYR HE2 H 18.231 -2.758 0.531 1.00 . A A . 1 TYR HE2 1 1
1 20 1 1 1 TYR HH H 19.942 -0.785 2.500 1.00 . A A . 1 TYR HH 1 1
1 21 1 1 1 TYR N N 14.421 -3.891 5.330 1.00 . A A . 1 TYR N 1 1
1 22 1 1 1 TYR O O 11.790 -3.957 3.508 1.00 . A A . 1 TYR O 1 1
1 23 1 1 1 TYR OH O 19.819 -1.727 2.367 1.00 . A A . 1 TYR OH 1 1
1 24 1 1 2 SER C C 9.375 -2.159 6.474 1.00 . A A . 2 SER C 1 1
1 25 1 1 2 SER CA C 10.047 -2.996 5.411 1.00 . A A . 2 SER CA 1 1
1 26 1 1 2 SER CB C 9.800 -4.509 5.643 1.00 . A A . 2 SER CB 1 1
1 27 1 1 2 SER H H 11.956 -2.090 6.027 1.00 . A A . 2 SER H 1 1
1 28 1 1 2 SER HA H 9.594 -2.708 4.444 1.00 . A A . 2 SER HA 1 1
1 29 1 1 2 SER HB2 H 8.711 -4.712 5.668 1.00 . A A . 2 SER HB2 1 1
1 30 1 1 2 SER HB3 H 10.186 -5.116 4.802 1.00 . A A . 2 SER HB3 1 1
1 31 1 1 2 SER HG H 9.739 -4.791 7.570 1.00 . A A . 2 SER HG 1 1
1 32 1 1 2 SER N N 11.477 -2.711 5.337 1.00 . A A . 2 SER N 1 1
1 33 1 1 2 SER O O 8.610 -2.653 7.310 1.00 . A A . 2 SER O 1 1
1 34 1 1 2 SER OG O 10.370 -4.980 6.871 1.00 . A A . 2 SER OG 1 1
1 35 1 1 3 ASP C C 8.941 1.446 6.905 1.00 . A A . 3 ASP C 1 1
1 36 1 1 3 ASP CA C 9.127 0.055 7.464 1.00 . A A . 3 ASP CA 1 1
1 37 1 1 3 ASP CB C 10.054 0.068 8.711 1.00 . A A . 3 ASP CB 1 1
1 38 1 1 3 ASP CG C 9.495 -0.544 10.002 1.00 . A A . 3 ASP CG 1 1
1 39 1 1 3 ASP H H 10.305 -0.550 5.709 1.00 . A A . 3 ASP H 1 1
1 40 1 1 3 ASP HA H 8.122 -0.316 7.733 1.00 . A A . 3 ASP HA 1 1
1 41 1 1 3 ASP HB2 H 11.015 -0.434 8.495 1.00 . A A . 3 ASP HB2 1 1
1 42 1 1 3 ASP HB3 H 10.339 1.116 8.941 1.00 . A A . 3 ASP HB3 1 1
1 43 1 1 3 ASP N N 9.659 -0.870 6.466 1.00 . A A . 3 ASP N 1 1
1 44 1 1 3 ASP O O 8.922 2.449 7.626 1.00 . A A . 3 ASP O 1 1
1 45 1 1 3 ASP OD1 O 8.351 -0.356 10.390 1.00 . A A . 3 ASP OD1 1 1
1 46 1 1 3 ASP OD2 O 10.404 -1.332 10.653 1.00 . A A . 3 ASP OD2 1 1
1 47 1 1 4 GLU C C 8.060 2.638 3.551 1.00 . A A . 4 GLU C 1 1
1 48 1 1 4 GLU CA C 8.749 2.806 4.887 1.00 . A A . 4 GLU CA 1 1
1 49 1 1 4 GLU CB C 10.196 3.342 4.703 1.00 . A A . 4 GLU CB 1 1
1 50 1 1 4 GLU CD C 12.704 2.858 5.440 1.00 . A A . 4 GLU CD 1 1
1 51 1 1 4 GLU CG C 11.369 2.327 4.912 1.00 . A A . 4 GLU CG 1 1
1 52 1 1 4 GLU H H 8.718 0.621 5.090 1.00 . A A . 4 GLU H 1 1
1 53 1 1 4 GLU HA H 8.158 3.520 5.489 1.00 . A A . 4 GLU HA 1 1
1 54 1 1 4 GLU HB2 H 10.288 3.776 3.688 1.00 . A A . 4 GLU HB2 1 1
1 55 1 1 4 GLU HB3 H 10.343 4.206 5.380 1.00 . A A . 4 GLU HB3 1 1
1 56 1 1 4 GLU HG2 H 11.048 1.526 5.605 1.00 . A A . 4 GLU HG2 1 1
1 57 1 1 4 GLU HG3 H 11.587 1.797 3.966 1.00 . A A . 4 GLU HG3 1 1
1 58 1 1 4 GLU N N 8.817 1.530 5.594 1.00 . A A . 4 GLU N 1 1
1 59 1 1 4 GLU O O 7.103 3.337 3.209 1.00 . A A . 4 GLU O 1 1
1 60 1 1 4 GLU OE1 O 13.122 3.999 4.826 1.00 . A A . 4 GLU OE1 1 1
1 61 1 1 4 GLU OE2 O 13.335 2.305 6.331 1.00 . A A . 4 GLU OE2 1 1
1 62 1 1 5 LEU C C 6.805 0.543 1.492 1.00 . A A . 5 LEU C 1 1
1 63 1 1 5 LEU CA C 8.023 1.434 1.435 1.00 . A A . 5 LEU CA 1 1
1 64 1 1 5 LEU CB C 9.120 0.811 0.523 1.00 . A A . 5 LEU CB 1 1
1 65 1 1 5 LEU CD1 C 11.609 0.986 0.101 1.00 . A A . 5 LEU CD1 1 1
1 66 1 1 5 LEU CD2 C 10.042 2.251 -1.400 1.00 . A A . 5 LEU CD2 1 1
1 67 1 1 5 LEU CG C 10.268 1.732 0.029 1.00 . A A . 5 LEU CG 1 1
1 68 1 1 5 LEU H H 9.386 1.177 3.143 1.00 . A A . 5 LEU H 1 1
1 69 1 1 5 LEU HA H 7.684 2.393 1.003 1.00 . A A . 5 LEU HA 1 1
1 70 1 1 5 LEU HB2 H 9.574 -0.051 1.053 1.00 . A A . 5 LEU HB2 1 1
1 71 1 1 5 LEU HB3 H 8.627 0.365 -0.363 1.00 . A A . 5 LEU HB3 1 1
1 72 1 1 5 LEU HD11 H 11.828 0.632 1.127 1.00 . A A . 5 LEU HD11 1 1
1 73 1 1 5 LEU HD12 H 11.632 0.099 -0.561 1.00 . A A . 5 LEU HD12 1 1
1 74 1 1 5 LEU HD13 H 12.453 1.636 -0.195 1.00 . A A . 5 LEU HD13 1 1
1 75 1 1 5 LEU HD21 H 9.895 1.431 -2.126 1.00 . A A . 5 LEU HD21 1 1
1 76 1 1 5 LEU HD22 H 9.148 2.901 -1.453 1.00 . A A . 5 LEU HD22 1 1
1 77 1 1 5 LEU HD23 H 10.888 2.867 -1.755 1.00 . A A . 5 LEU HD23 1 1
1 78 1 1 5 LEU HG H 10.329 2.605 0.712 1.00 . A A . 5 LEU HG 1 1
1 79 1 1 5 LEU N N 8.557 1.694 2.769 1.00 . A A . 5 LEU N 1 1
1 80 1 1 5 LEU O O 5.940 0.570 0.608 1.00 . A A . 5 LEU O 1 1
1 81 1 1 6 ARG C C 4.296 -0.297 2.864 1.00 . A A . 6 ARG C 1 1
1 82 1 1 6 ARG CA C 5.554 -1.124 2.747 1.00 . A A . 6 ARG CA 1 1
1 83 1 1 6 ARG CB C 5.792 -1.980 4.023 1.00 . A A . 6 ARG CB 1 1
1 84 1 1 6 ARG CD C 4.758 -3.740 5.580 1.00 . A A . 6 ARG CD 1 1
1 85 1 1 6 ARG CG C 4.905 -3.248 4.134 1.00 . A A . 6 ARG CG 1 1
1 86 1 1 6 ARG CZ C 2.812 -3.364 7.104 1.00 . A A . 6 ARG CZ 1 1
1 87 1 1 6 ARG H H 7.563 -0.323 3.139 1.00 . A A . 6 ARG H 1 1
1 88 1 1 6 ARG HA H 5.436 -1.792 1.874 1.00 . A A . 6 ARG HA 1 1
1 89 1 1 6 ARG HB2 H 6.853 -2.293 4.070 1.00 . A A . 6 ARG HB2 1 1
1 90 1 1 6 ARG HB3 H 5.649 -1.341 4.917 1.00 . A A . 6 ARG HB3 1 1
1 91 1 1 6 ARG HD2 H 4.470 -4.810 5.597 1.00 . A A . 6 ARG HD2 1 1
1 92 1 1 6 ARG HD3 H 5.726 -3.656 6.116 1.00 . A A . 6 ARG HD3 1 1
1 93 1 1 6 ARG HE H 3.712 -1.906 6.039 1.00 . A A . 6 ARG HE 1 1
1 94 1 1 6 ARG HG2 H 3.900 -3.051 3.708 1.00 . A A . 6 ARG HG2 1 1
1 95 1 1 6 ARG HG3 H 5.318 -4.078 3.526 1.00 . A A . 6 ARG HG3 1 1
1 96 1 1 6 ARG HH11 H 3.394 -5.216 7.035 1.00 . A A . 6 ARG HH11 1 1
1 97 1 1 6 ARG HH12 H 1.960 -4.831 8.133 1.00 . A A . 6 ARG HH12 1 1
1 98 1 1 6 ARG HH21 H 2.160 -1.566 7.247 1.00 . A A . 6 ARG HH21 1 1
1 99 1 1 6 ARG HH22 H 1.285 -2.849 8.252 1.00 . A A . 6 ARG HH22 1 1
1 100 1 1 6 ARG N N 6.722 -0.277 2.522 1.00 . A A . 6 ARG N 1 1
1 101 1 1 6 ARG NE N 3.723 -2.914 6.252 1.00 . A A . 6 ARG NE 1 1
1 102 1 1 6 ARG NH1 N 2.701 -4.607 7.470 1.00 . A A . 6 ARG NH1 1 1
1 103 1 1 6 ARG NH2 N 1.988 -2.510 7.598 1.00 . A A . 6 ARG NH2 1 1
1 104 1 1 6 ARG O O 3.215 -0.684 2.408 1.00 . A A . 6 ARG O 1 1
1 105 1 1 7 GLN C C 2.865 2.313 2.287 1.00 . A A . 7 GLN C 1 1
1 106 1 1 7 GLN CA C 3.299 1.786 3.634 1.00 . A A . 7 GLN CA 1 1
1 107 1 1 7 GLN CB C 3.727 2.939 4.567 1.00 . A A . 7 GLN CB 1 1
1 108 1 1 7 GLN CD C 3.401 3.346 7.188 1.00 . A A . 7 GLN CD 1 1
1 109 1 1 7 GLN CG C 4.045 2.548 6.048 1.00 . A A . 7 GLN CG 1 1
1 110 1 1 7 GLN H H 5.342 1.035 3.945 1.00 . A A . 7 GLN H 1 1
1 111 1 1 7 GLN HA H 2.441 1.246 4.076 1.00 . A A . 7 GLN HA 1 1
1 112 1 1 7 GLN HB2 H 4.617 3.437 4.136 1.00 . A A . 7 GLN HB2 1 1
1 113 1 1 7 GLN HB3 H 2.930 3.712 4.562 1.00 . A A . 7 GLN HB3 1 1
1 114 1 1 7 GLN HE21 H 3.408 5.005 6.123 1.00 . A A . 7 GLN HE21 1 1
1 115 1 1 7 GLN HE22 H 2.750 5.086 7.851 1.00 . A A . 7 GLN HE22 1 1
1 116 1 1 7 GLN HG2 H 3.810 1.480 6.218 1.00 . A A . 7 GLN HG2 1 1
1 117 1 1 7 GLN HG3 H 5.131 2.622 6.239 1.00 . A A . 7 GLN HG3 1 1
1 118 1 1 7 GLN N N 4.415 0.854 3.499 1.00 . A A . 7 GLN N 1 1
1 119 1 1 7 GLN NE2 N 3.146 4.620 7.032 1.00 . A A . 7 GLN NE2 1 1
1 120 1 1 7 GLN O O 1.676 2.498 2.009 1.00 . A A . 7 GLN O 1 1
1 121 1 1 7 GLN OE1 O 3.126 2.816 8.253 1.00 . A A . 7 GLN OE1 1 1
1 122 1 1 8 ARG C C 2.663 2.123 -0.685 1.00 . A A . 8 ARG C 1 1
1 123 1 1 8 ARG CA C 3.564 3.065 0.079 1.00 . A A . 8 ARG CA 1 1
1 124 1 1 8 ARG CB C 4.915 3.275 -0.657 1.00 . A A . 8 ARG CB 1 1
1 125 1 1 8 ARG CD C 4.064 3.270 -3.078 1.00 . A A . 8 ARG CD 1 1
1 126 1 1 8 ARG CG C 5.006 2.617 -2.059 1.00 . A A . 8 ARG CG 1 1
1 127 1 1 8 ARG CZ C 5.052 4.664 -4.903 1.00 . A A . 8 ARG CZ 1 1
1 128 1 1 8 ARG H H 4.798 2.313 1.737 1.00 . A A . 8 ARG H 1 1
1 129 1 1 8 ARG HA H 3.035 4.032 0.174 1.00 . A A . 8 ARG HA 1 1
1 130 1 1 8 ARG HB2 H 5.114 4.359 -0.770 1.00 . A A . 8 ARG HB2 1 1
1 131 1 1 8 ARG HB3 H 5.744 2.907 -0.017 1.00 . A A . 8 ARG HB3 1 1
1 132 1 1 8 ARG HD2 H 3.819 2.557 -3.891 1.00 . A A . 8 ARG HD2 1 1
1 133 1 1 8 ARG HD3 H 3.106 3.550 -2.593 1.00 . A A . 8 ARG HD3 1 1
1 134 1 1 8 ARG HE H 4.973 5.227 -2.967 1.00 . A A . 8 ARG HE 1 1
1 135 1 1 8 ARG HG2 H 6.040 2.670 -2.457 1.00 . A A . 8 ARG HG2 1 1
1 136 1 1 8 ARG HG3 H 4.779 1.534 -1.987 1.00 . A A . 8 ARG HG3 1 1
1 137 1 1 8 ARG HH11 H 4.362 2.957 -5.521 1.00 . A A . 8 ARG HH11 1 1
1 138 1 1 8 ARG HH12 H 5.110 4.065 -6.793 1.00 . A A . 8 ARG HH12 1 1
1 139 1 1 8 ARG HH21 H 5.766 6.371 -4.397 1.00 . A A . 8 ARG HH21 1 1
1 140 1 1 8 ARG HH22 H 5.874 5.923 -6.189 1.00 . A A . 8 ARG HH22 1 1
1 141 1 1 8 ARG N N 3.831 2.555 1.421 1.00 . A A . 8 ARG N 1 1
1 142 1 1 8 ARG NE N 4.735 4.475 -3.629 1.00 . A A . 8 ARG NE 1 1
1 143 1 1 8 ARG NH1 N 4.819 3.807 -5.852 1.00 . A A . 8 ARG NH1 1 1
1 144 1 1 8 ARG NH2 N 5.629 5.771 -5.213 1.00 . A A . 8 ARG NH2 1 1
1 145 1 1 8 ARG O O 1.736 2.527 -1.393 1.00 . A A . 8 ARG O 1 1
1 146 1 1 9 LEU C C 0.738 -0.212 -0.768 1.00 . A A . 9 LEU C 1 1
1 147 1 1 9 LEU CA C 2.169 -0.197 -1.249 1.00 . A A . 9 LEU CA 1 1
1 148 1 1 9 LEU CB C 2.841 -1.587 -1.057 1.00 . A A . 9 LEU CB 1 1
1 149 1 1 9 LEU CD1 C 1.376 -3.641 -1.564 1.00 . A A . 9 LEU CD1 1 1
1 150 1 1 9 LEU CD2 C 2.910 -3.637 0.424 1.00 . A A . 9 LEU CD2 1 1
1 151 1 1 9 LEU CG C 2.015 -2.764 -0.475 1.00 . A A . 9 LEU CG 1 1
1 152 1 1 9 LEU H H 3.713 0.597 0.098 1.00 . A A . 9 LEU H 1 1
1 153 1 1 9 LEU HA H 2.131 0.050 -2.326 1.00 . A A . 9 LEU HA 1 1
1 154 1 1 9 LEU HB2 H 3.259 -1.915 -2.039 1.00 . A A . 9 LEU HB2 1 1
1 155 1 1 9 LEU HB3 H 3.746 -1.451 -0.420 1.00 . A A . 9 LEU HB3 1 1
1 156 1 1 9 LEU HD11 H 0.828 -3.023 -2.302 1.00 . A A . 9 LEU HD11 1 1
1 157 1 1 9 LEU HD12 H 2.132 -4.204 -2.141 1.00 . A A . 9 LEU HD12 1 1
1 158 1 1 9 LEU HD13 H 0.656 -4.370 -1.150 1.00 . A A . 9 LEU HD13 1 1
1 159 1 1 9 LEU HD21 H 3.423 -3.033 1.198 1.00 . A A . 9 LEU HD21 1 1
1 160 1 1 9 LEU HD22 H 2.338 -4.423 0.950 1.00 . A A . 9 LEU HD22 1 1
1 161 1 1 9 LEU HD23 H 3.702 -4.141 -0.158 1.00 . A A . 9 LEU HD23 1 1
1 162 1 1 9 LEU HG H 1.204 -2.353 0.162 1.00 . A A . 9 LEU HG 1 1
1 163 1 1 9 LEU N N 2.939 0.837 -0.562 1.00 . A A . 9 LEU N 1 1
1 164 1 1 9 LEU O O -0.212 -0.371 -1.540 1.00 . A A . 9 LEU O 1 1
1 165 1 1 10 ALA C C -1.581 1.119 0.527 1.00 . A A . 10 ALA C 1 1
1 166 1 1 10 ALA CA C -0.763 0.003 1.134 1.00 . A A . 10 ALA CA 1 1
1 167 1 1 10 ALA CB C -0.586 0.157 2.655 1.00 . A A . 10 ALA CB 1 1
1 168 1 1 10 ALA H H 1.439 -0.040 1.108 1.00 . A A . 10 ALA H 1 1
1 169 1 1 10 ALA HA H -1.293 -0.944 0.920 1.00 . A A . 10 ALA HA 1 1
1 170 1 1 10 ALA HB1 H -0.018 -0.689 3.089 1.00 . A A . 10 ALA HB1 1 1
1 171 1 1 10 ALA HB2 H -0.040 1.083 2.920 1.00 . A A . 10 ALA HB2 1 1
1 172 1 1 10 ALA HB3 H -1.557 0.189 3.183 1.00 . A A . 10 ALA HB3 1 1
1 173 1 1 10 ALA N N 0.566 -0.061 0.534 1.00 . A A . 10 ALA N 1 1
1 174 1 1 10 ALA O O -2.804 1.024 0.377 1.00 . A A . 10 ALA O 1 1
1 175 1 1 11 ALA C C -2.234 3.142 -1.661 1.00 . A A . 11 ALA C 1 1
1 176 1 1 11 ALA CA C -1.601 3.400 -0.314 1.00 . A A . 11 ALA CA 1 1
1 177 1 1 11 ALA CB C -0.575 4.547 -0.349 1.00 . A A . 11 ALA CB 1 1
1 178 1 1 11 ALA H H 0.115 2.181 0.331 1.00 . A A . 11 ALA H 1 1
1 179 1 1 11 ALA HA H -2.416 3.657 0.388 1.00 . A A . 11 ALA HA 1 1
1 180 1 1 11 ALA HB1 H -0.150 4.749 0.653 1.00 . A A . 11 ALA HB1 1 1
1 181 1 1 11 ALA HB2 H 0.275 4.326 -1.022 1.00 . A A . 11 ALA HB2 1 1
1 182 1 1 11 ALA HB3 H -1.028 5.494 -0.696 1.00 . A A . 11 ALA HB3 1 1
1 183 1 1 11 ALA N N -0.918 2.208 0.182 1.00 . A A . 11 ALA N 1 1
1 184 1 1 11 ALA O O -3.367 3.547 -1.939 1.00 . A A . 11 ALA O 1 1
1 185 1 1 12 ARG C C -3.214 1.186 -3.708 1.00 . A A . 12 ARG C 1 1
1 186 1 1 12 ARG CA C -2.008 2.086 -3.840 1.00 . A A . 12 ARG CA 1 1
1 187 1 1 12 ARG CB C -0.868 1.395 -4.639 1.00 . A A . 12 ARG CB 1 1
1 188 1 1 12 ARG CD C -0.006 1.001 -7.024 1.00 . A A . 12 ARG CD 1 1
1 189 1 1 12 ARG CG C -1.229 1.008 -6.098 1.00 . A A . 12 ARG CG 1 1
1 190 1 1 12 ARG CZ C 1.274 -0.983 -6.203 1.00 . A A . 12 ARG CZ 1 1
1 191 1 1 12 ARG H H -0.547 2.191 -2.199 1.00 . A A . 12 ARG H 1 1
1 192 1 1 12 ARG HA H -2.328 3.001 -4.371 1.00 . A A . 12 ARG HA 1 1
1 193 1 1 12 ARG HB2 H 0.030 2.046 -4.637 1.00 . A A . 12 ARG HB2 1 1
1 194 1 1 12 ARG HB3 H -0.547 0.477 -4.108 1.00 . A A . 12 ARG HB3 1 1
1 195 1 1 12 ARG HD2 H -0.282 1.374 -8.032 1.00 . A A . 12 ARG HD2 1 1
1 196 1 1 12 ARG HD3 H 0.778 1.680 -6.631 1.00 . A A . 12 ARG HD3 1 1
1 197 1 1 12 ARG HE H 0.250 -0.938 -7.941 1.00 . A A . 12 ARG HE 1 1
1 198 1 1 12 ARG HG2 H -1.714 0.011 -6.120 1.00 . A A . 12 ARG HG2 1 1
1 199 1 1 12 ARG HG3 H -1.981 1.706 -6.520 1.00 . A A . 12 ARG HG3 1 1
1 200 1 1 12 ARG HH11 H 1.343 0.536 -4.994 1.00 . A A . 12 ARG HH11 1 1
1 201 1 1 12 ARG HH12 H 2.264 -0.981 -4.484 1.00 . A A . 12 ARG HH12 1 1
1 202 1 1 12 ARG HH21 H 1.268 -2.540 -7.323 1.00 . A A . 12 ARG HH21 1 1
1 203 1 1 12 ARG HH22 H 2.227 -2.656 -5.746 1.00 . A A . 12 ARG HH22 1 1
1 204 1 1 12 ARG N N -1.498 2.471 -2.528 1.00 . A A . 12 ARG N 1 1
1 205 1 1 12 ARG NE N 0.509 -0.389 -7.108 1.00 . A A . 12 ARG NE 1 1
1 206 1 1 12 ARG NH1 N 1.678 -0.422 -5.102 1.00 . A A . 12 ARG NH1 1 1
1 207 1 1 12 ARG NH2 N 1.637 -2.195 -6.436 1.00 . A A . 12 ARG NH2 1 1
1 208 1 1 12 ARG O O -4.177 1.261 -4.478 1.00 . A A . 12 ARG O 1 1
1 209 1 1 13 LEU C C -5.495 -0.086 -2.015 1.00 . A A . 13 LEU C 1 1
1 210 1 1 13 LEU CA C -4.216 -0.699 -2.533 1.00 . A A . 13 LEU CA 1 1
1 211 1 1 13 LEU CB C -3.717 -1.821 -1.576 1.00 . A A . 13 LEU CB 1 1
1 212 1 1 13 LEU CD1 C -2.029 -3.730 -1.214 1.00 . A A . 13 LEU CD1 1 1
1 213 1 1 13 LEU CD2 C -4.004 -4.054 -2.732 1.00 . A A . 13 LEU CD2 1 1
1 214 1 1 13 LEU CG C -2.983 -3.038 -2.201 1.00 . A A . 13 LEU CG 1 1
1 215 1 1 13 LEU H H -2.315 0.326 -2.128 1.00 . A A . 13 LEU H 1 1
1 216 1 1 13 LEU HA H -4.461 -1.136 -3.518 1.00 . A A . 13 LEU HA 1 1
1 217 1 1 13 LEU HB2 H -3.047 -1.368 -0.818 1.00 . A A . 13 LEU HB2 1 1
1 218 1 1 13 LEU HB3 H -4.581 -2.197 -0.996 1.00 . A A . 13 LEU HB3 1 1
1 219 1 1 13 LEU HD11 H -1.364 -2.998 -0.719 1.00 . A A . 13 LEU HD11 1 1
1 220 1 1 13 LEU HD12 H -2.576 -4.244 -0.402 1.00 . A A . 13 LEU HD12 1 1
1 221 1 1 13 LEU HD13 H -1.383 -4.478 -1.709 1.00 . A A . 13 LEU HD13 1 1
1 222 1 1 13 LEU HD21 H -4.736 -3.583 -3.415 1.00 . A A . 13 LEU HD21 1 1
1 223 1 1 13 LEU HD22 H -3.523 -4.881 -3.289 1.00 . A A . 13 LEU HD22 1 1
1 224 1 1 13 LEU HD23 H -4.588 -4.512 -1.912 1.00 . A A . 13 LEU HD23 1 1
1 225 1 1 13 LEU HG H -2.386 -2.674 -3.064 1.00 . A A . 13 LEU HG 1 1
1 226 1 1 13 LEU N N -3.169 0.302 -2.729 1.00 . A A . 13 LEU N 1 1
1 227 1 1 13 LEU O O -6.594 -0.622 -2.215 1.00 . A A . 13 LEU O 1 1
1 228 1 1 14 GLU C C -7.619 1.969 -1.713 1.00 . A A . 14 GLU C 1 1
1 229 1 1 14 GLU CA C -6.542 1.669 -0.697 1.00 . A A . 14 GLU CA 1 1
1 230 1 1 14 GLU CB C -6.070 2.966 0.019 1.00 . A A . 14 GLU CB 1 1
1 231 1 1 14 GLU CD C -7.529 2.716 2.227 1.00 . A A . 14 GLU CD 1 1
1 232 1 1 14 GLU CG C -6.172 3.004 1.580 1.00 . A A . 14 GLU CG 1 1
1 233 1 1 14 GLU H H -4.418 1.406 -1.209 1.00 . A A . 14 GLU H 1 1
1 234 1 1 14 GLU HA H -6.969 0.970 0.046 1.00 . A A . 14 GLU HA 1 1
1 235 1 1 14 GLU HB2 H -5.019 3.168 -0.267 1.00 . A A . 14 GLU HB2 1 1
1 236 1 1 14 GLU HB3 H -6.632 3.826 -0.399 1.00 . A A . 14 GLU HB3 1 1
1 237 1 1 14 GLU HG2 H -5.448 2.297 2.026 1.00 . A A . 14 GLU HG2 1 1
1 238 1 1 14 GLU HG3 H -5.847 3.995 1.950 1.00 . A A . 14 GLU HG3 1 1
1 239 1 1 14 GLU N N -5.386 1.033 -1.324 1.00 . A A . 14 GLU N 1 1
1 240 1 1 14 GLU O O -8.803 1.678 -1.520 1.00 . A A . 14 GLU O 1 1
1 241 1 1 14 GLU OE1 O -8.305 1.873 1.799 1.00 . A A . 14 GLU OE1 1 1
1 242 1 1 14 GLU OE2 O -7.788 3.484 3.321 1.00 . A A . 14 GLU OE2 1 1
1 243 1 1 15 ALA C C -8.863 1.859 -4.480 1.00 . A A . 15 ALA C 1 1
1 244 1 1 15 ALA CA C -8.157 3.030 -3.836 1.00 . A A . 15 ALA CA 1 1
1 245 1 1 15 ALA CB C -7.371 3.881 -4.848 1.00 . A A . 15 ALA CB 1 1
1 246 1 1 15 ALA H H -6.184 2.670 -2.931 1.00 . A A . 15 ALA H 1 1
1 247 1 1 15 ALA HA H -8.932 3.654 -3.353 1.00 . A A . 15 ALA HA 1 1
1 248 1 1 15 ALA HB1 H -6.893 4.755 -4.366 1.00 . A A . 15 ALA HB1 1 1
1 249 1 1 15 ALA HB2 H -6.565 3.303 -5.342 1.00 . A A . 15 ALA HB2 1 1
1 250 1 1 15 ALA HB3 H -8.023 4.278 -5.647 1.00 . A A . 15 ALA HB3 1 1
1 251 1 1 15 ALA N N -7.218 2.577 -2.814 1.00 . A A . 15 ALA N 1 1
1 252 1 1 15 ALA O O -10.069 1.883 -4.743 1.00 . A A . 15 ALA O 1 1
1 253 1 1 16 LEU C C -9.576 -1.159 -4.558 1.00 . A A . 16 LEU C 1 1
1 254 1 1 16 LEU CA C -8.632 -0.371 -5.435 1.00 . A A . 16 LEU CA 1 1
1 255 1 1 16 LEU CB C -7.458 -1.271 -5.928 1.00 . A A . 16 LEU CB 1 1
1 256 1 1 16 LEU CD1 C -5.492 -1.718 -7.527 1.00 . A A . 16 LEU CD1 1 1
1 257 1 1 16 LEU CD2 C -7.737 -1.048 -8.435 1.00 . A A . 16 LEU CD2 1 1
1 258 1 1 16 LEU CG C -6.761 -0.890 -7.262 1.00 . A A . 16 LEU CG 1 1
1 259 1 1 16 LEU H H -7.115 0.868 -4.437 1.00 . A A . 16 LEU H 1 1
1 260 1 1 16 LEU HA H -9.222 -0.040 -6.307 1.00 . A A . 16 LEU HA 1 1
1 261 1 1 16 LEU HB2 H -6.689 -1.292 -5.132 1.00 . A A . 16 LEU HB2 1 1
1 262 1 1 16 LEU HB3 H -7.820 -2.314 -6.004 1.00 . A A . 16 LEU HB3 1 1
1 263 1 1 16 LEU HD11 H -4.827 -1.724 -6.644 1.00 . A A . 16 LEU HD11 1 1
1 264 1 1 16 LEU HD12 H -5.728 -2.776 -7.741 1.00 . A A . 16 LEU HD12 1 1
1 265 1 1 16 LEU HD13 H -4.906 -1.325 -8.378 1.00 . A A . 16 LEU HD13 1 1
1 266 1 1 16 LEU HD21 H -8.682 -0.500 -8.262 1.00 . A A . 16 LEU HD21 1 1
1 267 1 1 16 LEU HD22 H -7.314 -0.676 -9.387 1.00 . A A . 16 LEU HD22 1 1
1 268 1 1 16 LEU HD23 H -8.013 -2.108 -8.595 1.00 . A A . 16 LEU HD23 1 1
1 269 1 1 16 LEU HG H -6.470 0.181 -7.204 1.00 . A A . 16 LEU HG 1 1
1 270 1 1 16 LEU N N -8.108 0.814 -4.760 1.00 . A A . 16 LEU N 1 1
1 271 1 1 16 LEU O O -10.419 -1.929 -5.044 1.00 . A A . 16 LEU O 1 1
1 272 1 1 17 LYS C C -11.550 -1.173 -1.941 1.00 . A A . 17 LYS C 1 1
1 273 1 1 17 LYS CA C -10.223 -1.799 -2.296 1.00 . A A . 17 LYS CA 1 1
1 274 1 1 17 LYS CB C -9.360 -2.005 -1.014 1.00 . A A . 17 LYS CB 1 1
1 275 1 1 17 LYS CD C -10.893 -4.071 -0.662 1.00 . A A . 17 LYS CD 1 1
1 276 1 1 17 LYS CE C -11.989 -4.433 0.350 1.00 . A A . 17 LYS CE 1 1
1 277 1 1 17 LYS CG C -9.944 -3.048 -0.031 1.00 . A A . 17 LYS CG 1 1
1 278 1 1 17 LYS H H -8.737 -0.318 -2.937 1.00 . A A . 17 LYS H 1 1
1 279 1 1 17 LYS HA H -10.434 -2.779 -2.763 1.00 . A A . 17 LYS HA 1 1
1 280 1 1 17 LYS HB2 H -8.336 -2.309 -1.304 1.00 . A A . 17 LYS HB2 1 1
1 281 1 1 17 LYS HB3 H -9.233 -1.030 -0.498 1.00 . A A . 17 LYS HB3 1 1
1 282 1 1 17 LYS HD2 H -11.323 -3.658 -1.594 1.00 . A A . 17 LYS HD2 1 1
1 283 1 1 17 LYS HD3 H -10.327 -4.979 -0.954 1.00 . A A . 17 LYS HD3 1 1
1 284 1 1 17 LYS HE2 H -11.668 -4.174 1.380 1.00 . A A . 17 LYS HE2 1 1
1 285 1 1 17 LYS HE3 H -12.913 -3.847 0.166 1.00 . A A . 17 LYS HE3 1 1
1 286 1 1 17 LYS HG2 H -9.116 -3.572 0.489 1.00 . A A . 17 LYS HG2 1 1
1 287 1 1 17 LYS HG3 H -10.519 -2.542 0.768 1.00 . A A . 17 LYS HG3 1 1
1 288 1 1 17 LYS HZ1 H -11.422 -6.393 0.059 1.00 . A A . 17 LYS HZ1 1 1
1 289 1 1 17 LYS HZ2 H -12.697 -6.200 1.139 1.00 . A A . 17 LYS HZ2 1 1
1 290 1 1 17 LYS HZ3 H -12.962 -6.032 -0.513 1.00 . A A . 17 LYS HZ3 1 1
1 291 1 1 17 LYS N N -9.455 -1.004 -3.254 1.00 . A A . 17 LYS N 1 1
1 292 1 1 17 LYS NZ N -12.290 -5.872 0.251 1.00 . A A . 17 LYS NZ 1 1
1 293 1 1 17 LYS O O -12.166 -1.508 -0.915 1.00 . A A . 17 LYS O 1 1
1 294 1 1 18 GLU C C -14.267 0.265 -3.633 1.00 . A A . 18 GLU C 1 1
1 295 1 1 18 GLU CA C -13.282 0.443 -2.503 1.00 . A A . 18 GLU CA 1 1
1 296 1 1 18 GLU CB C -12.945 1.945 -2.279 1.00 . A A . 18 GLU CB 1 1
1 297 1 1 18 GLU CD C -13.819 4.328 -1.487 1.00 . A A . 18 GLU CD 1 1
1 298 1 1 18 GLU CG C -13.988 2.807 -1.494 1.00 . A A . 18 GLU CG 1 1
1 299 1 1 18 GLU H H -11.455 -0.049 -3.605 1.00 . A A . 18 GLU H 1 1
1 300 1 1 18 GLU HA H -13.734 0.025 -1.587 1.00 . A A . 18 GLU HA 1 1
1 301 1 1 18 GLU HB2 H -11.962 2.012 -1.771 1.00 . A A . 18 GLU HB2 1 1
1 302 1 1 18 GLU HB3 H -12.768 2.413 -3.267 1.00 . A A . 18 GLU HB3 1 1
1 303 1 1 18 GLU HG2 H -15.009 2.600 -1.865 1.00 . A A . 18 GLU HG2 1 1
1 304 1 1 18 GLU HG3 H -14.015 2.485 -0.436 1.00 . A A . 18 GLU HG3 1 1
1 305 1 1 18 GLU N N -12.036 -0.270 -2.769 1.00 . A A . 18 GLU N 1 1
1 306 1 1 18 GLU O O -14.817 1.227 -4.179 1.00 . A A . 18 GLU O 1 1
1 307 1 1 18 GLU OE1 O -13.105 4.806 -2.543 1.00 . A A . 18 GLU OE1 1 1
1 308 1 1 18 GLU OE2 O -14.285 5.045 -0.611 1.00 . A A . 18 GLU OE2 1 1
1 309 1 1 19 ASN C C -16.011 -2.695 -4.880 1.00 . A A . 19 ASN C 1 1
1 310 1 1 19 ASN CA C -15.458 -1.301 -5.063 1.00 . A A . 19 ASN CA 1 1
1 311 1 1 19 ASN CB C -14.777 -1.156 -6.455 1.00 . A A . 19 ASN CB 1 1
1 312 1 1 19 ASN CG C -13.583 -2.073 -6.743 1.00 . A A . 19 ASN CG 1 1
1 313 1 1 19 ASN H H -13.952 -1.717 -3.515 1.00 . A A . 19 ASN H 1 1
1 314 1 1 19 ASN HA H -16.309 -0.599 -4.986 1.00 . A A . 19 ASN HA 1 1
1 315 1 1 19 ASN HB2 H -15.522 -1.346 -7.252 1.00 . A A . 19 ASN HB2 1 1
1 316 1 1 19 ASN HB3 H -14.458 -0.110 -6.621 1.00 . A A . 19 ASN HB3 1 1
1 317 1 1 19 ASN HD21 H -12.314 -0.541 -6.681 1.00 . A A . 19 ASN HD21 1 1
1 318 1 1 19 ASN HD22 H -11.661 -2.244 -6.973 1.00 . A A . 19 ASN HD22 1 1
1 319 1 1 19 ASN N N -14.496 -0.978 -4.013 1.00 . A A . 19 ASN N 1 1
1 320 1 1 19 ASN ND2 N -12.397 -1.541 -6.864 1.00 . A A . 19 ASN ND2 1 1
1 321 1 1 19 ASN O O -17.218 -2.938 -4.977 1.00 . A A . 19 ASN O 1 1
1 322 1 1 19 ASN OD1 O -13.703 -3.283 -6.863 1.00 . A A . 19 ASN OD1 1 1
1 323 1 1 20 GLY C C -14.967 -5.891 -5.530 1.00 . A A . 20 GLY C 1 1
1 324 1 1 20 GLY CA C -15.516 -5.031 -4.417 1.00 . A A . 20 GLY CA 1 1
1 325 1 1 20 GLY H H -14.131 -3.328 -4.553 1.00 . A A . 20 GLY H 1 1
1 326 1 1 20 GLY HA2 H -15.144 -5.409 -3.448 1.00 . A A . 20 GLY HA2 1 1
1 327 1 1 20 GLY HA3 H -16.617 -5.122 -4.397 1.00 . A A . 20 GLY HA3 1 1
1 328 1 1 20 GLY N N -15.128 -3.634 -4.596 1.00 . A A . 20 GLY N 1 1
1 329 1 1 20 GLY O O -13.835 -6.462 -5.444 1.00 . A A . 20 GLY O 1 1
1 330 1 1 20 GLY OXT O -15.704 -6.010 -6.557 1.00 . A A . 20 GLY OXT 1 1
2 331 1 1 1 TYR C C 11.414 -1.920 4.307 1.00 . A A . 1 TYR C 1 1
2 332 1 1 1 TYR CA C 12.073 -1.409 3.048 1.00 . A A . 1 TYR CA 1 1
2 333 1 1 1 TYR CB C 13.343 -2.273 2.785 1.00 . A A . 1 TYR CB 1 1
2 334 1 1 1 TYR CD1 C 14.611 -1.119 4.672 1.00 . A A . 1 TYR CD1 1 1
2 335 1 1 1 TYR CD2 C 15.216 -3.384 4.086 1.00 . A A . 1 TYR CD2 1 1
2 336 1 1 1 TYR CE1 C 15.579 -1.123 5.674 1.00 . A A . 1 TYR CE1 1 1
2 337 1 1 1 TYR CE2 C 16.181 -3.387 5.089 1.00 . A A . 1 TYR CE2 1 1
2 338 1 1 1 TYR CG C 14.422 -2.252 3.875 1.00 . A A . 1 TYR CG 1 1
2 339 1 1 1 TYR CZ C 16.360 -2.256 5.883 1.00 . A A . 1 TYR CZ 1 1
2 340 1 1 1 TYR H1 H 12.603 0.230 4.160 1.00 . A A . 1 TYR H1 1 1
2 341 1 1 1 TYR H2 H 13.270 0.198 2.616 1.00 . A A . 1 TYR H2 1 1
2 342 1 1 1 TYR H3 H 11.646 0.583 2.823 1.00 . A A . 1 TYR H3 1 1
2 343 1 1 1 TYR HA H 11.352 -1.526 2.217 1.00 . A A . 1 TYR HA 1 1
2 344 1 1 1 TYR HB2 H 13.042 -3.334 2.646 1.00 . A A . 1 TYR HB2 1 1
2 345 1 1 1 TYR HB3 H 13.779 -2.005 1.799 1.00 . A A . 1 TYR HB3 1 1
2 346 1 1 1 TYR HD1 H 14.002 -0.238 4.523 1.00 . A A . 1 TYR HD1 1 1
2 347 1 1 1 TYR HD2 H 15.073 -4.269 3.481 1.00 . A A . 1 TYR HD2 1 1
2 348 1 1 1 TYR HE1 H 15.720 -0.251 6.295 1.00 . A A . 1 TYR HE1 1 1
2 349 1 1 1 TYR HE2 H 16.780 -4.270 5.248 1.00 . A A . 1 TYR HE2 1 1
2 350 1 1 1 TYR HH H 18.141 -2.548 6.483 1.00 . A A . 1 TYR HH 1 1
2 351 1 1 1 TYR N N 12.424 0.004 3.171 1.00 . A A . 1 TYR N 1 1
2 352 1 1 1 TYR O O 11.866 -1.669 5.429 1.00 . A A . 1 TYR O 1 1
2 353 1 1 1 TYR OH O 17.309 -2.257 6.867 1.00 . A A . 1 TYR OH 1 1
2 354 1 1 2 SER C C 9.296 -2.263 6.333 1.00 . A A . 2 SER C 1 1
2 355 1 1 2 SER CA C 9.634 -3.275 5.265 1.00 . A A . 2 SER CA 1 1
2 356 1 1 2 SER CB C 10.473 -4.447 5.835 1.00 . A A . 2 SER CB 1 1
2 357 1 1 2 SER H H 9.985 -2.738 3.156 1.00 . A A . 2 SER H 1 1
2 358 1 1 2 SER HA H 8.674 -3.682 4.897 1.00 . A A . 2 SER HA 1 1
2 359 1 1 2 SER HB2 H 11.554 -4.210 5.819 1.00 . A A . 2 SER HB2 1 1
2 360 1 1 2 SER HB3 H 10.229 -4.593 6.906 1.00 . A A . 2 SER HB3 1 1
2 361 1 1 2 SER HG H 9.388 -5.616 4.715 1.00 . A A . 2 SER HG 1 1
2 362 1 1 2 SER N N 10.319 -2.641 4.142 1.00 . A A . 2 SER N 1 1
2 363 1 1 2 SER O O 9.326 -2.545 7.535 1.00 . A A . 2 SER O 1 1
2 364 1 1 2 SER OG O 10.243 -5.682 5.148 1.00 . A A . 2 SER OG 1 1
2 365 1 1 3 ASP C C 8.099 1.228 6.090 1.00 . A A . 3 ASP C 1 1
2 366 1 1 3 ASP CA C 8.606 0.015 6.832 1.00 . A A . 3 ASP CA 1 1
2 367 1 1 3 ASP CB C 9.807 0.361 7.752 1.00 . A A . 3 ASP CB 1 1
2 368 1 1 3 ASP CG C 9.474 0.994 9.111 1.00 . A A . 3 ASP CG 1 1
2 369 1 1 3 ASP H H 8.960 -0.924 4.871 1.00 . A A . 3 ASP H 1 1
2 370 1 1 3 ASP HA H 7.761 -0.365 7.434 1.00 . A A . 3 ASP HA 1 1
2 371 1 1 3 ASP HB2 H 10.428 -0.531 7.946 1.00 . A A . 3 ASP HB2 1 1
2 372 1 1 3 ASP HB3 H 10.484 1.060 7.221 1.00 . A A . 3 ASP HB3 1 1
2 373 1 1 3 ASP N N 8.972 -1.055 5.907 1.00 . A A . 3 ASP N 1 1
2 374 1 1 3 ASP O O 7.078 1.830 6.438 1.00 . A A . 3 ASP O 1 1
2 375 1 1 3 ASP OD1 O 9.189 2.175 9.244 1.00 . A A . 3 ASP OD1 1 1
2 376 1 1 3 ASP OD2 O 9.552 0.102 10.144 1.00 . A A . 3 ASP OD2 1 1
2 377 1 1 4 GLU C C 7.715 2.189 2.946 1.00 . A A . 4 GLU C 1 1
2 378 1 1 4 GLU CA C 8.405 2.711 4.184 1.00 . A A . 4 GLU CA 1 1
2 379 1 1 4 GLU CB C 9.660 3.554 3.815 1.00 . A A . 4 GLU CB 1 1
2 380 1 1 4 GLU CD C 12.010 4.535 4.573 1.00 . A A . 4 GLU CD 1 1
2 381 1 1 4 GLU CG C 10.833 3.595 4.848 1.00 . A A . 4 GLU CG 1 1
2 382 1 1 4 GLU H H 9.689 1.066 4.872 1.00 . A A . 4 GLU H 1 1
2 383 1 1 4 GLU HA H 7.687 3.345 4.733 1.00 . A A . 4 GLU HA 1 1
2 384 1 1 4 GLU HB2 H 10.053 3.190 2.847 1.00 . A A . 4 GLU HB2 1 1
2 385 1 1 4 GLU HB3 H 9.334 4.592 3.600 1.00 . A A . 4 GLU HB3 1 1
2 386 1 1 4 GLU HG2 H 10.441 3.861 5.848 1.00 . A A . 4 GLU HG2 1 1
2 387 1 1 4 GLU HG3 H 11.258 2.583 4.984 1.00 . A A . 4 GLU HG3 1 1
2 388 1 1 4 GLU N N 8.819 1.614 5.053 1.00 . A A . 4 GLU N 1 1
2 389 1 1 4 GLU O O 6.660 2.676 2.529 1.00 . A A . 4 GLU O 1 1
2 390 1 1 4 GLU OE1 O 11.942 5.748 4.721 1.00 . A A . 4 GLU OE1 1 1
2 391 1 1 4 GLU OE2 O 13.136 3.895 4.151 1.00 . A A . 4 GLU OE2 1 1
2 392 1 1 5 LEU C C 6.516 -0.071 1.241 1.00 . A A . 5 LEU C 1 1
2 393 1 1 5 LEU CA C 7.828 0.653 1.061 1.00 . A A . 5 LEU CA 1 1
2 394 1 1 5 LEU CB C 8.894 -0.281 0.418 1.00 . A A . 5 LEU CB 1 1
2 395 1 1 5 LEU CD1 C 11.387 -0.510 -0.179 1.00 . A A . 5 LEU CD1 1 1
2 396 1 1 5 LEU CD2 C 9.819 0.699 -1.725 1.00 . A A . 5 LEU CD2 1 1
2 397 1 1 5 LEU CG C 10.130 0.372 -0.257 1.00 . A A . 5 LEU CG 1 1
2 398 1 1 5 LEU H H 9.184 0.825 2.784 1.00 . A A . 5 LEU H 1 1
2 399 1 1 5 LEU HA H 7.622 1.500 0.380 1.00 . A A . 5 LEU HA 1 1
2 400 1 1 5 LEU HB2 H 9.259 -0.987 1.192 1.00 . A A . 5 LEU HB2 1 1
2 401 1 1 5 LEU HB3 H 8.390 -0.925 -0.329 1.00 . A A . 5 LEU HB3 1 1
2 402 1 1 5 LEU HD11 H 11.562 -0.866 0.854 1.00 . A A . 5 LEU HD11 1 1
2 403 1 1 5 LEU HD12 H 11.294 -1.418 -0.803 1.00 . A A . 5 LEU HD12 1 1
2 404 1 1 5 LEU HD13 H 12.298 0.028 -0.500 1.00 . A A . 5 LEU HD13 1 1
2 405 1 1 5 LEU HD21 H 8.894 1.299 -1.826 1.00 . A A . 5 LEU HD21 1 1
2 406 1 1 5 LEU HD22 H 10.633 1.270 -2.210 1.00 . A A . 5 LEU HD22 1 1
2 407 1 1 5 LEU HD23 H 9.665 -0.219 -2.323 1.00 . A A . 5 LEU HD23 1 1
2 408 1 1 5 LEU HG H 10.343 1.329 0.265 1.00 . A A . 5 LEU HG 1 1
2 409 1 1 5 LEU N N 8.317 1.189 2.328 1.00 . A A . 5 LEU N 1 1
2 410 1 1 5 LEU O O 5.677 -0.136 0.334 1.00 . A A . 5 LEU O 1 1
2 411 1 1 6 ARG C C 3.904 -0.404 2.733 1.00 . A A . 6 ARG C 1 1
2 412 1 1 6 ARG CA C 5.081 -1.350 2.731 1.00 . A A . 6 ARG CA 1 1
2 413 1 1 6 ARG CB C 5.244 -2.058 4.106 1.00 . A A . 6 ARG CB 1 1
2 414 1 1 6 ARG CD C 4.549 -3.968 5.673 1.00 . A A . 6 ARG CD 1 1
2 415 1 1 6 ARG CG C 4.254 -3.224 4.364 1.00 . A A . 6 ARG CG 1 1
2 416 1 1 6 ARG CZ C 2.418 -4.365 6.920 1.00 . A A . 6 ARG CZ 1 1
2 417 1 1 6 ARG H H 7.121 -0.609 3.081 1.00 . A A . 6 ARG H 1 1
2 418 1 1 6 ARG HA H 4.900 -2.109 1.947 1.00 . A A . 6 ARG HA 1 1
2 419 1 1 6 ARG HB2 H 6.288 -2.421 4.211 1.00 . A A . 6 ARG HB2 1 1
2 420 1 1 6 ARG HB3 H 5.124 -1.314 4.918 1.00 . A A . 6 ARG HB3 1 1
2 421 1 1 6 ARG HD2 H 4.577 -5.063 5.498 1.00 . A A . 6 ARG HD2 1 1
2 422 1 1 6 ARG HD3 H 5.545 -3.678 6.065 1.00 . A A . 6 ARG HD3 1 1
2 423 1 1 6 ARG HE H 3.590 -2.742 7.171 1.00 . A A . 6 ARG HE 1 1
2 424 1 1 6 ARG HG2 H 3.208 -2.858 4.400 1.00 . A A . 6 ARG HG2 1 1
2 425 1 1 6 ARG HG3 H 4.281 -3.942 3.519 1.00 . A A . 6 ARG HG3 1 1
2 426 1 1 6 ARG HH11 H 2.857 -5.783 5.667 1.00 . A A . 6 ARG HH11 1 1
2 427 1 1 6 ARG HH12 H 1.300 -5.979 6.638 1.00 . A A . 6 ARG HH12 1 1
2 428 1 1 6 ARG HH21 H 1.895 -3.023 8.186 1.00 . A A . 6 ARG HH21 1 1
2 429 1 1 6 ARG HH22 H 0.771 -4.482 8.009 1.00 . A A . 6 ARG HH22 1 1
2 430 1 1 6 ARG N N 6.320 -0.646 2.413 1.00 . A A . 6 ARG N 1 1
2 431 1 1 6 ARG NE N 3.487 -3.627 6.654 1.00 . A A . 6 ARG NE 1 1
2 432 1 1 6 ARG NH1 N 2.152 -5.503 6.350 1.00 . A A . 6 ARG NH1 1 1
2 433 1 1 6 ARG NH2 N 1.594 -3.921 7.801 1.00 . A A . 6 ARG NH2 1 1
2 434 1 1 6 ARG O O 2.803 -0.729 2.275 1.00 . A A . 6 ARG O 1 1
2 435 1 1 7 GLN C C 2.618 2.245 1.994 1.00 . A A . 7 GLN C 1 1
2 436 1 1 7 GLN CA C 3.064 1.791 3.363 1.00 . A A . 7 GLN CA 1 1
2 437 1 1 7 GLN CB C 3.591 2.981 4.195 1.00 . A A . 7 GLN CB 1 1
2 438 1 1 7 GLN CD C 3.343 3.660 6.767 1.00 . A A . 7 GLN CD 1 1
2 439 1 1 7 GLN CG C 3.882 2.694 5.705 1.00 . A A . 7 GLN CG 1 1
2 440 1 1 7 GLN H H 5.068 0.941 3.666 1.00 . A A . 7 GLN H 1 1
2 441 1 1 7 GLN HA H 2.189 1.339 3.868 1.00 . A A . 7 GLN HA 1 1
2 442 1 1 7 GLN HB2 H 4.519 3.363 3.725 1.00 . A A . 7 GLN HB2 1 1
2 443 1 1 7 GLN HB3 H 2.862 3.815 4.121 1.00 . A A . 7 GLN HB3 1 1
2 444 1 1 7 GLN HE21 H 1.642 3.886 5.797 1.00 . A A . 7 GLN HE21 1 1
2 445 1 1 7 GLN HE22 H 1.854 4.788 7.397 1.00 . A A . 7 GLN HE22 1 1
2 446 1 1 7 GLN HG2 H 3.534 1.679 5.973 1.00 . A A . 7 GLN HG2 1 1
2 447 1 1 7 GLN HG3 H 4.973 2.666 5.887 1.00 . A A . 7 GLN HG3 1 1
2 448 1 1 7 GLN N N 4.117 0.783 3.268 1.00 . A A . 7 GLN N 1 1
2 449 1 1 7 GLN NE2 N 2.160 4.200 6.620 1.00 . A A . 7 GLN NE2 1 1
2 450 1 1 7 GLN O O 1.426 2.405 1.714 1.00 . A A . 7 GLN O 1 1
2 451 1 1 7 GLN OE1 O 3.996 3.933 7.762 1.00 . A A . 7 GLN OE1 1 1
2 452 1 1 8 ARG C C 2.515 1.881 -1.007 1.00 . A A . 8 ARG C 1 1
2 453 1 1 8 ARG CA C 3.295 2.923 -0.242 1.00 . A A . 8 ARG CA 1 1
2 454 1 1 8 ARG CB C 4.637 3.259 -0.950 1.00 . A A . 8 ARG CB 1 1
2 455 1 1 8 ARG CD C 5.733 5.329 -2.001 1.00 . A A . 8 ARG CD 1 1
2 456 1 1 8 ARG CG C 5.146 4.708 -0.727 1.00 . A A . 8 ARG CG 1 1
2 457 1 1 8 ARG CZ C 8.106 4.566 -1.810 1.00 . A A . 8 ARG CZ 1 1
2 458 1 1 8 ARG H H 4.553 2.305 1.453 1.00 . A A . 8 ARG H 1 1
2 459 1 1 8 ARG HA H 2.669 3.833 -0.182 1.00 . A A . 8 ARG HA 1 1
2 460 1 1 8 ARG HB2 H 5.425 2.560 -0.609 1.00 . A A . 8 ARG HB2 1 1
2 461 1 1 8 ARG HB3 H 4.539 3.061 -2.037 1.00 . A A . 8 ARG HB3 1 1
2 462 1 1 8 ARG HD2 H 4.977 5.335 -2.812 1.00 . A A . 8 ARG HD2 1 1
2 463 1 1 8 ARG HD3 H 6.019 6.386 -1.818 1.00 . A A . 8 ARG HD3 1 1
2 464 1 1 8 ARG HE H 6.815 3.905 -3.213 1.00 . A A . 8 ARG HE 1 1
2 465 1 1 8 ARG HG2 H 4.329 5.365 -0.364 1.00 . A A . 8 ARG HG2 1 1
2 466 1 1 8 ARG HG3 H 5.909 4.725 0.077 1.00 . A A . 8 ARG HG3 1 1
2 467 1 1 8 ARG HH11 H 7.606 5.879 -0.469 1.00 . A A . 8 ARG HH11 1 1
2 468 1 1 8 ARG HH12 H 9.339 5.247 -0.414 1.00 . A A . 8 ARG HH12 1 1
2 469 1 1 8 ARG HH21 H 8.703 3.268 -3.090 1.00 . A A . 8 ARG HH21 1 1
2 470 1 1 8 ARG HH22 H 9.942 3.828 -1.836 1.00 . A A . 8 ARG HH22 1 1
2 471 1 1 8 ARG N N 3.579 2.476 1.119 1.00 . A A . 8 ARG N 1 1
2 472 1 1 8 ARG NE N 6.921 4.534 -2.404 1.00 . A A . 8 ARG NE 1 1
2 473 1 1 8 ARG NH1 N 8.392 5.310 -0.783 1.00 . A A . 8 ARG NH1 1 1
2 474 1 1 8 ARG NH2 N 9.029 3.809 -2.287 1.00 . A A . 8 ARG NH2 1 1
2 475 1 1 8 ARG O O 1.698 2.190 -1.882 1.00 . A A . 8 ARG O 1 1
2 476 1 1 9 LEU C C 0.602 -0.483 -1.039 1.00 . A A . 9 LEU C 1 1
2 477 1 1 9 LEU CA C 2.077 -0.485 -1.362 1.00 . A A . 9 LEU CA 1 1
2 478 1 1 9 LEU CB C 2.729 -1.842 -0.972 1.00 . A A . 9 LEU CB 1 1
2 479 1 1 9 LEU CD1 C 1.054 -3.608 -1.666 1.00 . A A . 9 LEU CD1 1 1
2 480 1 1 9 LEU CD2 C 2.559 -4.078 0.290 1.00 . A A . 9 LEU CD2 1 1
2 481 1 1 9 LEU CG C 1.799 -2.984 -0.478 1.00 . A A . 9 LEU CG 1 1
2 482 1 1 9 LEU H H 3.480 0.462 0.041 1.00 . A A . 9 LEU H 1 1
2 483 1 1 9 LEU HA H 2.155 -0.339 -2.455 1.00 . A A . 9 LEU HA 1 1
2 484 1 1 9 LEU HB2 H 3.307 -2.221 -1.839 1.00 . A A . 9 LEU HB2 1 1
2 485 1 1 9 LEU HB3 H 3.491 -1.654 -0.191 1.00 . A A . 9 LEU HB3 1 1
2 486 1 1 9 LEU HD11 H 0.459 -2.857 -2.219 1.00 . A A . 9 LEU HD11 1 1
2 487 1 1 9 LEU HD12 H 1.742 -4.080 -2.392 1.00 . A A . 9 LEU HD12 1 1
2 488 1 1 9 LEU HD13 H 0.343 -4.390 -1.336 1.00 . A A . 9 LEU HD13 1 1
2 489 1 1 9 LEU HD21 H 3.383 -4.513 -0.305 1.00 . A A . 9 LEU HD21 1 1
2 490 1 1 9 LEU HD22 H 3.001 -3.680 1.222 1.00 . A A . 9 LEU HD22 1 1
2 491 1 1 9 LEU HD23 H 1.893 -4.906 0.597 1.00 . A A . 9 LEU HD23 1 1
2 492 1 1 9 LEU HG H 1.043 -2.542 0.204 1.00 . A A . 9 LEU HG 1 1
2 493 1 1 9 LEU N N 2.760 0.621 -0.698 1.00 . A A . 9 LEU N 1 1
2 494 1 1 9 LEU O O -0.256 -0.714 -1.896 1.00 . A A . 9 LEU O 1 1
2 495 1 1 10 ALA C C -1.835 0.966 -0.082 1.00 . A A . 10 ALA C 1 1
2 496 1 1 10 ALA CA C -1.107 -0.132 0.655 1.00 . A A . 10 ALA CA 1 1
2 497 1 1 10 ALA CB C -1.107 0.072 2.180 1.00 . A A . 10 ALA CB 1 1
2 498 1 1 10 ALA H H 1.085 -0.120 0.878 1.00 . A A . 10 ALA H 1 1
2 499 1 1 10 ALA HA H -1.615 -1.084 0.411 1.00 . A A . 10 ALA HA 1 1
2 500 1 1 10 ALA HB1 H -0.603 -0.761 2.706 1.00 . A A . 10 ALA HB1 1 1
2 501 1 1 10 ALA HB2 H -0.587 1.004 2.476 1.00 . A A . 10 ALA HB2 1 1
2 502 1 1 10 ALA HB3 H -2.133 0.129 2.588 1.00 . A A . 10 ALA HB3 1 1
2 503 1 1 10 ALA N N 0.284 -0.225 0.217 1.00 . A A . 10 ALA N 1 1
2 504 1 1 10 ALA O O -3.033 0.872 -0.376 1.00 . A A . 10 ALA O 1 1
2 505 1 1 11 ALA C C -2.210 2.914 -2.394 1.00 . A A . 11 ALA C 1 1
2 506 1 1 11 ALA CA C -1.732 3.218 -0.994 1.00 . A A . 11 ALA CA 1 1
2 507 1 1 11 ALA CB C -0.696 4.354 -0.951 1.00 . A A . 11 ALA CB 1 1
2 508 1 1 11 ALA H H -0.115 2.005 -0.124 1.00 . A A . 11 ALA H 1 1
2 509 1 1 11 ALA HA H -2.620 3.507 -0.400 1.00 . A A . 11 ALA HA 1 1
2 510 1 1 11 ALA HB1 H -0.386 4.589 0.085 1.00 . A A . 11 ALA HB1 1 1
2 511 1 1 11 ALA HB2 H 0.224 4.101 -1.514 1.00 . A A . 11 ALA HB2 1 1
2 512 1 1 11 ALA HB3 H -1.094 5.291 -1.383 1.00 . A A . 11 ALA HB3 1 1
2 513 1 1 11 ALA N N -1.126 2.039 -0.381 1.00 . A A . 11 ALA N 1 1
2 514 1 1 11 ALA O O -3.218 3.445 -2.871 1.00 . A A . 11 ALA O 1 1
2 515 1 1 12 ARG C C -3.102 0.787 -4.411 1.00 . A A . 12 ARG C 1 1
2 516 1 1 12 ARG CA C -1.851 1.635 -4.431 1.00 . A A . 12 ARG CA 1 1
2 517 1 1 12 ARG CB C -0.656 0.872 -5.065 1.00 . A A . 12 ARG CB 1 1
2 518 1 1 12 ARG CD C 1.576 2.124 -5.266 1.00 . A A . 12 ARG CD 1 1
2 519 1 1 12 ARG CG C 0.268 1.734 -5.966 1.00 . A A . 12 ARG CG 1 1
2 520 1 1 12 ARG CZ C 3.137 1.365 -7.066 1.00 . A A . 12 ARG CZ 1 1
2 521 1 1 12 ARG H H -0.630 1.687 -2.602 1.00 . A A . 12 ARG H 1 1
2 522 1 1 12 ARG HA H -2.072 2.541 -5.025 1.00 . A A . 12 ARG HA 1 1
2 523 1 1 12 ARG HB2 H -0.035 0.420 -4.267 1.00 . A A . 12 ARG HB2 1 1
2 524 1 1 12 ARG HB3 H -1.038 0.005 -5.644 1.00 . A A . 12 ARG HB3 1 1
2 525 1 1 12 ARG HD2 H 1.790 3.201 -5.418 1.00 . A A . 12 ARG HD2 1 1
2 526 1 1 12 ARG HD3 H 1.490 1.963 -4.171 1.00 . A A . 12 ARG HD3 1 1
2 527 1 1 12 ARG HE H 3.110 0.604 -5.197 1.00 . A A . 12 ARG HE 1 1
2 528 1 1 12 ARG HG2 H 0.500 1.191 -6.905 1.00 . A A . 12 ARG HG2 1 1
2 529 1 1 12 ARG HG3 H -0.245 2.662 -6.289 1.00 . A A . 12 ARG HG3 1 1
2 530 1 1 12 ARG HH11 H 1.930 2.778 -7.633 1.00 . A A . 12 ARG HH11 1 1
2 531 1 1 12 ARG HH12 H 3.124 2.144 -8.890 1.00 . A A . 12 ARG HH12 1 1
2 532 1 1 12 ARG HH21 H 4.374 -0.027 -6.607 1.00 . A A . 12 ARG HH21 1 1
2 533 1 1 12 ARG HH22 H 4.455 0.619 -8.339 1.00 . A A . 12 ARG HH22 1 1
2 534 1 1 12 ARG N N -1.482 2.053 -3.081 1.00 . A A . 12 ARG N 1 1
2 535 1 1 12 ARG NE N 2.673 1.293 -5.826 1.00 . A A . 12 ARG NE 1 1
2 536 1 1 12 ARG NH1 N 2.687 2.182 -7.972 1.00 . A A . 12 ARG NH1 1 1
2 537 1 1 12 ARG NH2 N 4.096 0.571 -7.388 1.00 . A A . 12 ARG NH2 1 1
2 538 1 1 12 ARG O O -4.035 0.974 -5.198 1.00 . A A . 12 ARG O 1 1
2 539 1 1 13 LEU C C -5.427 -0.461 -2.624 1.00 . A A . 13 LEU C 1 1
2 540 1 1 13 LEU CA C -4.266 -1.081 -3.366 1.00 . A A . 13 LEU CA 1 1
2 541 1 1 13 LEU CB C -3.814 -2.396 -2.658 1.00 . A A . 13 LEU CB 1 1
2 542 1 1 13 LEU CD1 C -2.292 -4.468 -2.746 1.00 . A A . 13 LEU CD1 1 1
2 543 1 1 13 LEU CD2 C -4.341 -4.339 -4.193 1.00 . A A . 13 LEU CD2 1 1
2 544 1 1 13 LEU CG C -3.215 -3.527 -3.537 1.00 . A A . 13 LEU CG 1 1
2 545 1 1 13 LEU H H -2.262 -0.293 -2.939 1.00 . A A . 13 LEU H 1 1
2 546 1 1 13 LEU HA H -4.642 -1.317 -4.379 1.00 . A A . 13 LEU HA 1 1
2 547 1 1 13 LEU HB2 H -3.074 -2.138 -1.875 1.00 . A A . 13 LEU HB2 1 1
2 548 1 1 13 LEU HB3 H -4.678 -2.807 -2.102 1.00 . A A . 13 LEU HB3 1 1
2 549 1 1 13 LEU HD11 H -1.547 -3.898 -2.159 1.00 . A A . 13 LEU HD11 1 1
2 550 1 1 13 LEU HD12 H -2.852 -5.080 -2.016 1.00 . A A . 13 LEU HD12 1 1
2 551 1 1 13 LEU HD13 H -1.732 -5.158 -3.404 1.00 . A A . 13 LEU HD13 1 1
2 552 1 1 13 LEU HD21 H -5.053 -3.690 -4.737 1.00 . A A . 13 LEU HD21 1 1
2 553 1 1 13 LEU HD22 H -3.955 -5.081 -4.918 1.00 . A A . 13 LEU HD22 1 1
2 554 1 1 13 LEU HD23 H -4.933 -4.895 -3.442 1.00 . A A . 13 LEU HD23 1 1
2 555 1 1 13 LEU HG H -2.619 -3.056 -4.347 1.00 . A A . 13 LEU HG 1 1
2 556 1 1 13 LEU N N -3.128 -0.177 -3.510 1.00 . A A . 13 LEU N 1 1
2 557 1 1 13 LEU O O -6.464 -1.112 -2.408 1.00 . A A . 13 LEU O 1 1
2 558 1 1 14 GLU C C -7.523 1.746 -2.537 1.00 . A A . 14 GLU C 1 1
2 559 1 1 14 GLU CA C -6.395 1.501 -1.562 1.00 . A A . 14 GLU CA 1 1
2 560 1 1 14 GLU CB C -5.851 2.839 -0.986 1.00 . A A . 14 GLU CB 1 1
2 561 1 1 14 GLU CD C -7.384 2.429 1.146 1.00 . A A . 14 GLU CD 1 1
2 562 1 1 14 GLU CG C -6.236 3.197 0.487 1.00 . A A . 14 GLU CG 1 1
2 563 1 1 14 GLU H H -4.340 1.193 -2.282 1.00 . A A . 14 GLU H 1 1
2 564 1 1 14 GLU HA H -6.793 0.877 -0.742 1.00 . A A . 14 GLU HA 1 1
2 565 1 1 14 GLU HB2 H -4.746 2.838 -1.068 1.00 . A A . 14 GLU HB2 1 1
2 566 1 1 14 GLU HB3 H -6.169 3.666 -1.652 1.00 . A A . 14 GLU HB3 1 1
2 567 1 1 14 GLU HG2 H -5.356 3.086 1.149 1.00 . A A . 14 GLU HG2 1 1
2 568 1 1 14 GLU HG3 H -6.492 4.271 0.555 1.00 . A A . 14 GLU HG3 1 1
2 569 1 1 14 GLU N N -5.293 0.779 -2.196 1.00 . A A . 14 GLU N 1 1
2 570 1 1 14 GLU O O -8.696 1.473 -2.262 1.00 . A A . 14 GLU O 1 1
2 571 1 1 14 GLU OE1 O -8.561 2.731 0.996 1.00 . A A . 14 GLU OE1 1 1
2 572 1 1 14 GLU OE2 O -6.974 1.382 1.914 1.00 . A A . 14 GLU OE2 1 1
2 573 1 1 15 ALA C C -8.515 1.372 -5.572 1.00 . A A . 15 ALA C 1 1
2 574 1 1 15 ALA CA C -8.162 2.577 -4.732 1.00 . A A . 15 ALA CA 1 1
2 575 1 1 15 ALA CB C -7.589 3.731 -5.581 1.00 . A A . 15 ALA CB 1 1
2 576 1 1 15 ALA H H -6.170 2.523 -3.803 1.00 . A A . 15 ALA H 1 1
2 577 1 1 15 ALA HA H -9.093 2.911 -4.237 1.00 . A A . 15 ALA HA 1 1
2 578 1 1 15 ALA HB1 H -7.370 4.623 -4.958 1.00 . A A . 15 ALA HB1 1 1
2 579 1 1 15 ALA HB2 H -6.645 3.452 -6.084 1.00 . A A . 15 ALA HB2 1 1
2 580 1 1 15 ALA HB3 H -8.294 4.060 -6.363 1.00 . A A . 15 ALA HB3 1 1
2 581 1 1 15 ALA N N -7.179 2.279 -3.694 1.00 . A A . 15 ALA N 1 1
2 582 1 1 15 ALA O O -9.226 1.485 -6.585 1.00 . A A . 15 ALA O 1 1
2 583 1 1 16 LEU C C -9.285 -1.899 -5.297 1.00 . A A . 16 LEU C 1 1
2 584 1 1 16 LEU CA C -8.263 -1.016 -5.973 1.00 . A A . 16 LEU CA 1 1
2 585 1 1 16 LEU CB C -6.925 -1.777 -6.195 1.00 . A A . 16 LEU CB 1 1
2 586 1 1 16 LEU CD1 C -4.535 -1.327 -7.036 1.00 . A A . 16 LEU CD1 1 1
2 587 1 1 16 LEU CD2 C -6.261 -2.294 -8.583 1.00 . A A . 16 LEU CD2 1 1
2 588 1 1 16 LEU CG C -6.030 -1.353 -7.392 1.00 . A A . 16 LEU CG 1 1
2 589 1 1 16 LEU H H -7.434 0.197 -4.349 1.00 . A A . 16 LEU H 1 1
2 590 1 1 16 LEU HA H -8.692 -0.726 -6.948 1.00 . A A . 16 LEU HA 1 1
2 591 1 1 16 LEU HB2 H -6.320 -1.697 -5.268 1.00 . A A . 16 LEU HB2 1 1
2 592 1 1 16 LEU HB3 H -7.140 -2.860 -6.291 1.00 . A A . 16 LEU HB3 1 1
2 593 1 1 16 LEU HD11 H -4.355 -0.758 -6.104 1.00 . A A . 16 LEU HD11 1 1
2 594 1 1 16 LEU HD12 H -4.134 -2.341 -6.856 1.00 . A A . 16 LEU HD12 1 1
2 595 1 1 16 LEU HD13 H -3.923 -0.859 -7.829 1.00 . A A . 16 LEU HD13 1 1
2 596 1 1 16 LEU HD21 H -7.334 -2.373 -8.843 1.00 . A A . 16 LEU HD21 1 1
2 597 1 1 16 LEU HD22 H -5.729 -1.958 -9.493 1.00 . A A . 16 LEU HD22 1 1
2 598 1 1 16 LEU HD23 H -5.914 -3.322 -8.363 1.00 . A A . 16 LEU HD23 1 1
2 599 1 1 16 LEU HG H -6.332 -0.331 -7.703 1.00 . A A . 16 LEU HG 1 1
2 600 1 1 16 LEU N N -8.034 0.203 -5.200 1.00 . A A . 16 LEU N 1 1
2 601 1 1 16 LEU O O -10.133 -2.530 -5.935 1.00 . A A . 16 LEU O 1 1
2 602 1 1 17 LYS C C -11.383 -2.016 -2.802 1.00 . A A . 17 LYS C 1 1
2 603 1 1 17 LYS CA C -10.131 -2.778 -3.186 1.00 . A A . 17 LYS CA 1 1
2 604 1 1 17 LYS CB C -9.397 -3.284 -1.914 1.00 . A A . 17 LYS CB 1 1
2 605 1 1 17 LYS CD C -9.121 -2.872 0.633 1.00 . A A . 17 LYS CD 1 1
2 606 1 1 17 LYS CE C -9.915 -3.323 1.866 1.00 . A A . 17 LYS CE 1 1
2 607 1 1 17 LYS CG C -10.056 -2.806 -0.578 1.00 . A A . 17 LYS CG 1 1
2 608 1 1 17 LYS H H -8.421 -1.443 -3.539 1.00 . A A . 17 LYS H 1 1
2 609 1 1 17 LYS HA H -10.471 -3.608 -3.853 1.00 . A A . 17 LYS HA 1 1
2 610 1 1 17 LYS HB2 H -9.245 -4.388 -1.844 1.00 . A A . 17 LYS HB2 1 1
2 611 1 1 17 LYS HB3 H -8.340 -2.889 -1.910 1.00 . A A . 17 LYS HB3 1 1
2 612 1 1 17 LYS HD2 H -8.280 -3.561 0.420 1.00 . A A . 17 LYS HD2 1 1
2 613 1 1 17 LYS HD3 H -8.668 -1.875 0.813 1.00 . A A . 17 LYS HD3 1 1
2 614 1 1 17 LYS HE2 H -10.343 -2.445 2.395 1.00 . A A . 17 LYS HE2 1 1
2 615 1 1 17 LYS HE3 H -10.782 -3.953 1.576 1.00 . A A . 17 LYS HE3 1 1
2 616 1 1 17 LYS HG2 H -10.390 -1.756 -0.657 1.00 . A A . 17 LYS HG2 1 1
2 617 1 1 17 LYS HG3 H -10.969 -3.403 -0.387 1.00 . A A . 17 LYS HG3 1 1
2 618 1 1 17 LYS HZ1 H -8.415 -4.694 2.209 1.00 . A A . 17 LYS HZ1 1 1
2 619 1 1 17 LYS HZ2 H -8.458 -3.431 3.319 1.00 . A A . 17 LYS HZ2 1 1
2 620 1 1 17 LYS HZ3 H -9.601 -4.662 3.401 1.00 . A A . 17 LYS HZ3 1 1
2 621 1 1 17 LYS N N -9.210 -1.963 -3.980 1.00 . A A . 17 LYS N 1 1
2 622 1 1 17 LYS NZ N -9.031 -4.085 2.766 1.00 . A A . 17 LYS NZ 1 1
2 623 1 1 17 LYS O O -12.426 -2.612 -2.494 1.00 . A A . 17 LYS O 1 1
2 624 1 1 18 GLU C C -13.668 -0.183 -3.222 1.00 . A A . 18 GLU C 1 1
2 625 1 1 18 GLU CA C -12.443 0.134 -2.398 1.00 . A A . 18 GLU CA 1 1
2 626 1 1 18 GLU CB C -12.039 1.630 -2.542 1.00 . A A . 18 GLU CB 1 1
2 627 1 1 18 GLU CD C -13.396 3.034 -0.740 1.00 . A A . 18 GLU CD 1 1
2 628 1 1 18 GLU CG C -13.127 2.703 -2.210 1.00 . A A . 18 GLU CG 1 1
2 629 1 1 18 GLU H H -10.388 -0.289 -3.060 1.00 . A A . 18 GLU H 1 1
2 630 1 1 18 GLU HA H -12.679 -0.079 -1.340 1.00 . A A . 18 GLU HA 1 1
2 631 1 1 18 GLU HB2 H -11.153 1.821 -1.906 1.00 . A A . 18 GLU HB2 1 1
2 632 1 1 18 GLU HB3 H -11.671 1.793 -3.574 1.00 . A A . 18 GLU HB3 1 1
2 633 1 1 18 GLU HG2 H -12.874 3.657 -2.709 1.00 . A A . 18 GLU HG2 1 1
2 634 1 1 18 GLU HG3 H -14.097 2.413 -2.655 1.00 . A A . 18 GLU HG3 1 1
2 635 1 1 18 GLU N N -11.313 -0.699 -2.801 1.00 . A A . 18 GLU N 1 1
2 636 1 1 18 GLU O O -13.807 0.234 -4.376 1.00 . A A . 18 GLU O 1 1
2 637 1 1 18 GLU OE1 O -12.550 2.913 0.136 1.00 . A A . 18 GLU OE1 1 1
2 638 1 1 18 GLU OE2 O -14.663 3.474 -0.500 1.00 . A A . 18 GLU OE2 1 1
2 639 1 1 19 ASN C C -16.628 -2.271 -2.466 1.00 . A A . 19 ASN C 1 1
2 640 1 1 19 ASN CA C -15.802 -1.344 -3.325 1.00 . A A . 19 ASN CA 1 1
2 641 1 1 19 ASN CB C -15.429 -2.028 -4.672 1.00 . A A . 19 ASN CB 1 1
2 642 1 1 19 ASN CG C -16.111 -1.492 -5.935 1.00 . A A . 19 ASN CG 1 1
2 643 1 1 19 ASN H H -14.400 -1.174 -1.634 1.00 . A A . 19 ASN H 1 1
2 644 1 1 19 ASN HA H -16.415 -0.443 -3.517 1.00 . A A . 19 ASN HA 1 1
2 645 1 1 19 ASN HB2 H -14.335 -1.998 -4.830 1.00 . A A . 19 ASN HB2 1 1
2 646 1 1 19 ASN HB3 H -15.668 -3.108 -4.616 1.00 . A A . 19 ASN HB3 1 1
2 647 1 1 19 ASN HD21 H -15.725 -3.172 -6.930 1.00 . A A . 19 ASN HD21 1 1
2 648 1 1 19 ASN HD22 H -16.591 -1.789 -7.795 1.00 . A A . 19 ASN HD22 1 1
2 649 1 1 19 ASN N N -14.582 -0.934 -2.634 1.00 . A A . 19 ASN N 1 1
2 650 1 1 19 ASN ND2 N -16.194 -2.268 -6.983 1.00 . A A . 19 ASN ND2 1 1
2 651 1 1 19 ASN O O -17.760 -1.967 -2.077 1.00 . A A . 19 ASN O 1 1
2 652 1 1 19 ASN OD1 O -16.581 -0.365 -5.996 1.00 . A A . 19 ASN OD1 1 1
2 653 1 1 20 GLY C C -15.700 -5.340 -0.672 1.00 . A A . 20 GLY C 1 1
2 654 1 1 20 GLY CA C -16.709 -4.378 -1.254 1.00 . A A . 20 GLY CA 1 1
2 655 1 1 20 GLY H H -15.126 -3.602 -2.568 1.00 . A A . 20 GLY H 1 1
2 656 1 1 20 GLY HA2 H -17.220 -3.847 -0.430 1.00 . A A . 20 GLY HA2 1 1
2 657 1 1 20 GLY HA3 H -17.483 -4.949 -1.798 1.00 . A A . 20 GLY HA3 1 1
2 658 1 1 20 GLY N N -16.065 -3.421 -2.148 1.00 . A A . 20 GLY N 1 1
2 659 1 1 20 GLY O O -15.067 -5.085 0.399 1.00 . A A . 20 GLY O 1 1
2 660 1 1 20 GLY OXT O -15.522 -6.418 -1.319 1.00 . A A . 20 GLY OXT 1 1
3 661 1 1 1 TYR C C 11.673 -3.008 3.925 1.00 . A A . 1 TYR C 1 1
3 662 1 1 1 TYR CA C 13.151 -2.800 3.696 1.00 . A A . 1 TYR CA 1 1
3 663 1 1 1 TYR CB C 13.339 -1.427 2.986 1.00 . A A . 1 TYR CB 1 1
3 664 1 1 1 TYR CD1 C 15.620 -1.082 4.049 1.00 . A A . 1 TYR CD1 1 1
3 665 1 1 1 TYR CD2 C 15.181 -0.023 1.922 1.00 . A A . 1 TYR CD2 1 1
3 666 1 1 1 TYR CE1 C 16.899 -0.532 4.059 1.00 . A A . 1 TYR CE1 1 1
3 667 1 1 1 TYR CE2 C 16.461 0.526 1.935 1.00 . A A . 1 TYR CE2 1 1
3 668 1 1 1 TYR CG C 14.750 -0.826 2.984 1.00 . A A . 1 TYR CG 1 1
3 669 1 1 1 TYR CZ C 17.315 0.276 3.004 1.00 . A A . 1 TYR CZ 1 1
3 670 1 1 1 TYR H1 H 13.219 -4.763 3.110 1.00 . A A . 1 TYR H1 1 1
3 671 1 1 1 TYR H2 H 13.600 -3.665 1.894 1.00 . A A . 1 TYR H2 1 1
3 672 1 1 1 TYR H3 H 14.713 -3.993 3.110 1.00 . A A . 1 TYR H3 1 1
3 673 1 1 1 TYR HA H 13.651 -2.787 4.683 1.00 . A A . 1 TYR HA 1 1
3 674 1 1 1 TYR HB2 H 13.011 -1.505 1.928 1.00 . A A . 1 TYR HB2 1 1
3 675 1 1 1 TYR HB3 H 12.621 -0.694 3.417 1.00 . A A . 1 TYR HB3 1 1
3 676 1 1 1 TYR HD1 H 15.296 -1.693 4.881 1.00 . A A . 1 TYR HD1 1 1
3 677 1 1 1 TYR HD2 H 14.519 0.187 1.094 1.00 . A A . 1 TYR HD2 1 1
3 678 1 1 1 TYR HE1 H 17.556 -0.730 4.893 1.00 . A A . 1 TYR HE1 1 1
3 679 1 1 1 TYR HE2 H 16.790 1.154 1.120 1.00 . A A . 1 TYR HE2 1 1
3 680 1 1 1 TYR HH H 18.909 0.808 2.114 1.00 . A A . 1 TYR HH 1 1
3 681 1 1 1 TYR N N 13.712 -3.884 2.894 1.00 . A A . 1 TYR N 1 1
3 682 1 1 1 TYR O O 10.920 -3.391 3.023 1.00 . A A . 1 TYR O 1 1
3 683 1 1 1 TYR OH O 18.568 0.821 3.014 1.00 . A A . 1 TYR OH 1 1
3 684 1 1 2 SER C C 9.417 -1.895 6.541 1.00 . A A . 2 SER C 1 1
3 685 1 1 2 SER CA C 9.827 -2.920 5.509 1.00 . A A . 2 SER CA 1 1
3 686 1 1 2 SER CB C 9.540 -4.363 5.993 1.00 . A A . 2 SER CB 1 1
3 687 1 1 2 SER H H 11.950 -2.446 5.836 1.00 . A A . 2 SER H 1 1
3 688 1 1 2 SER HA H 9.218 -2.726 4.607 1.00 . A A . 2 SER HA 1 1
3 689 1 1 2 SER HB2 H 10.406 -4.777 6.545 1.00 . A A . 2 SER HB2 1 1
3 690 1 1 2 SER HB3 H 8.712 -4.353 6.728 1.00 . A A . 2 SER HB3 1 1
3 691 1 1 2 SER HG H 9.812 -5.102 4.211 1.00 . A A . 2 SER HG 1 1
3 692 1 1 2 SER N N 11.233 -2.763 5.146 1.00 . A A . 2 SER N 1 1
3 693 1 1 2 SER O O 9.303 -2.179 7.738 1.00 . A A . 2 SER O 1 1
3 694 1 1 2 SER OG O 9.185 -5.248 4.925 1.00 . A A . 2 SER OG 1 1
3 695 1 1 3 ASP C C 8.487 1.668 6.179 1.00 . A A . 3 ASP C 1 1
3 696 1 1 3 ASP CA C 8.818 0.425 6.973 1.00 . A A . 3 ASP CA 1 1
3 697 1 1 3 ASP CB C 9.952 0.676 7.999 1.00 . A A . 3 ASP CB 1 1
3 698 1 1 3 ASP CG C 9.524 0.931 9.452 1.00 . A A . 3 ASP CG 1 1
3 699 1 1 3 ASP H H 9.261 -0.559 5.049 1.00 . A A . 3 ASP H 1 1
3 700 1 1 3 ASP HA H 7.891 0.125 7.495 1.00 . A A . 3 ASP HA 1 1
3 701 1 1 3 ASP HB2 H 10.672 -0.162 8.010 1.00 . A A . 3 ASP HB2 1 1
3 702 1 1 3 ASP HB3 H 10.551 1.551 7.676 1.00 . A A . 3 ASP HB3 1 1
3 703 1 1 3 ASP N N 9.173 -0.680 6.085 1.00 . A A . 3 ASP N 1 1
3 704 1 1 3 ASP O O 7.576 2.437 6.498 1.00 . A A . 3 ASP O 1 1
3 705 1 1 3 ASP OD1 O 8.907 -0.149 10.020 1.00 . A A . 3 ASP OD1 1 1
3 706 1 1 3 ASP OD2 O 9.736 1.984 10.034 1.00 . A A . 3 ASP OD2 1 1
3 707 1 1 4 GLU C C 8.152 2.470 3.002 1.00 . A A . 4 GLU C 1 1
3 708 1 1 4 GLU CA C 8.972 2.962 4.171 1.00 . A A . 4 GLU CA 1 1
3 709 1 1 4 GLU CB C 10.330 3.551 3.697 1.00 . A A . 4 GLU CB 1 1
3 710 1 1 4 GLU CD C 12.584 4.722 4.481 1.00 . A A . 4 GLU CD 1 1
3 711 1 1 4 GLU CG C 11.448 3.739 4.776 1.00 . A A . 4 GLU CG 1 1
3 712 1 1 4 GLU H H 10.071 1.256 5.009 1.00 . A A . 4 GLU H 1 1
3 713 1 1 4 GLU HA H 8.389 3.746 4.689 1.00 . A A . 4 GLU HA 1 1
3 714 1 1 4 GLU HB2 H 10.725 2.916 2.879 1.00 . A A . 4 GLU HB2 1 1
3 715 1 1 4 GLU HB3 H 10.145 4.529 3.213 1.00 . A A . 4 GLU HB3 1 1
3 716 1 1 4 GLU HG2 H 10.993 4.056 5.732 1.00 . A A . 4 GLU HG2 1 1
3 717 1 1 4 GLU HG3 H 11.920 2.766 5.009 1.00 . A A . 4 GLU HG3 1 1
3 718 1 1 4 GLU N N 9.239 1.880 5.113 1.00 . A A . 4 GLU N 1 1
3 719 1 1 4 GLU O O 7.325 3.192 2.435 1.00 . A A . 4 GLU O 1 1
3 720 1 1 4 GLU OE1 O 12.436 5.723 3.793 1.00 . A A . 4 GLU OE1 1 1
3 721 1 1 4 GLU OE2 O 13.770 4.378 5.055 1.00 . A A . 4 GLU OE2 1 1
3 722 1 1 5 LEU C C 6.516 -0.181 1.799 1.00 . A A . 5 LEU C 1 1
3 723 1 1 5 LEU CA C 7.725 0.651 1.442 1.00 . A A . 5 LEU CA 1 1
3 724 1 1 5 LEU CB C 8.749 -0.192 0.628 1.00 . A A . 5 LEU CB 1 1
3 725 1 1 5 LEU CD1 C 11.215 -0.308 0.070 1.00 . A A . 5 LEU CD1 1 1
3 726 1 1 5 LEU CD2 C 9.686 0.916 -1.500 1.00 . A A . 5 LEU CD2 1 1
3 727 1 1 5 LEU CG C 9.945 0.550 -0.029 1.00 . A A . 5 LEU CG 1 1
3 728 1 1 5 LEU H H 9.050 0.677 3.194 1.00 . A A . 5 LEU H 1 1
3 729 1 1 5 LEU HA H 7.352 1.483 0.818 1.00 . A A . 5 LEU HA 1 1
3 730 1 1 5 LEU HB2 H 9.156 -0.987 1.284 1.00 . A A . 5 LEU HB2 1 1
3 731 1 1 5 LEU HB3 H 8.202 -0.738 -0.165 1.00 . A A . 5 LEU HB3 1 1
3 732 1 1 5 LEU HD11 H 11.461 -0.558 1.121 1.00 . A A . 5 LEU HD11 1 1
3 733 1 1 5 LEU HD12 H 11.120 -1.265 -0.478 1.00 . A A . 5 LEU HD12 1 1
3 734 1 1 5 LEU HD13 H 12.096 0.218 -0.342 1.00 . A A . 5 LEU HD13 1 1
3 735 1 1 5 LEU HD21 H 9.423 0.034 -2.113 1.00 . A A . 5 LEU HD21 1 1
3 736 1 1 5 LEU HD22 H 8.851 1.638 -1.591 1.00 . A A . 5 LEU HD22 1 1
3 737 1 1 5 LEU HD23 H 10.561 1.402 -1.967 1.00 . A A . 5 LEU HD23 1 1
3 738 1 1 5 LEU HG H 10.123 1.488 0.537 1.00 . A A . 5 LEU HG 1 1
3 739 1 1 5 LEU N N 8.365 1.223 2.625 1.00 . A A . 5 LEU N 1 1
3 740 1 1 5 LEU O O 5.651 -0.458 0.955 1.00 . A A . 5 LEU O 1 1
3 741 1 1 6 ARG C C 4.053 -0.426 3.568 1.00 . A A . 6 ARG C 1 1
3 742 1 1 6 ARG CA C 5.260 -1.333 3.533 1.00 . A A . 6 ARG CA 1 1
3 743 1 1 6 ARG CB C 5.574 -1.919 4.938 1.00 . A A . 6 ARG CB 1 1
3 744 1 1 6 ARG CD C 5.294 -3.993 6.424 1.00 . A A . 6 ARG CD 1 1
3 745 1 1 6 ARG CG C 4.638 -3.072 5.388 1.00 . A A . 6 ARG CG 1 1
3 746 1 1 6 ARG CZ C 5.351 -6.155 5.170 1.00 . A A . 6 ARG CZ 1 1
3 747 1 1 6 ARG H H 7.285 -0.478 3.631 1.00 . A A . 6 ARG H 1 1
3 748 1 1 6 ARG HA H 5.037 -2.158 2.833 1.00 . A A . 6 ARG HA 1 1
3 749 1 1 6 ARG HB2 H 6.630 -2.258 4.969 1.00 . A A . 6 ARG HB2 1 1
3 750 1 1 6 ARG HB3 H 5.515 -1.112 5.694 1.00 . A A . 6 ARG HB3 1 1
3 751 1 1 6 ARG HD2 H 6.029 -3.429 7.032 1.00 . A A . 6 ARG HD2 1 1
3 752 1 1 6 ARG HD3 H 4.531 -4.390 7.125 1.00 . A A . 6 ARG HD3 1 1
3 753 1 1 6 ARG HE H 6.987 -5.059 5.609 1.00 . A A . 6 ARG HE 1 1
3 754 1 1 6 ARG HG2 H 3.697 -2.659 5.806 1.00 . A A . 6 ARG HG2 1 1
3 755 1 1 6 ARG HG3 H 4.323 -3.690 4.523 1.00 . A A . 6 ARG HG3 1 1
3 756 1 1 6 ARG HH11 H 3.561 -5.611 5.692 1.00 . A A . 6 ARG HH11 1 1
3 757 1 1 6 ARG HH12 H 3.714 -7.198 4.762 1.00 . A A . 6 ARG HH12 1 1
3 758 1 1 6 ARG HH21 H 7.074 -6.782 4.605 1.00 . A A . 6 ARG HH21 1 1
3 759 1 1 6 ARG HH22 H 5.621 -7.840 4.169 1.00 . A A . 6 ARG HH22 1 1
3 760 1 1 6 ARG N N 6.436 -0.620 3.040 1.00 . A A . 6 ARG N 1 1
3 761 1 1 6 ARG NE N 5.963 -5.106 5.703 1.00 . A A . 6 ARG NE 1 1
3 762 1 1 6 ARG NH1 N 4.067 -6.353 5.207 1.00 . A A . 6 ARG NH1 1 1
3 763 1 1 6 ARG NH2 N 6.083 -7.031 4.578 1.00 . A A . 6 ARG NH2 1 1
3 764 1 1 6 ARG O O 2.929 -0.817 3.236 1.00 . A A . 6 ARG O 1 1
3 765 1 1 7 GLN C C 2.808 2.192 2.599 1.00 . A A . 7 GLN C 1 1
3 766 1 1 7 GLN CA C 3.216 1.818 4.004 1.00 . A A . 7 GLN CA 1 1
3 767 1 1 7 GLN CB C 3.722 3.054 4.779 1.00 . A A . 7 GLN CB 1 1
3 768 1 1 7 GLN CD C 4.048 4.164 7.188 1.00 . A A . 7 GLN CD 1 1
3 769 1 1 7 GLN CG C 3.832 2.908 6.333 1.00 . A A . 7 GLN CG 1 1
3 770 1 1 7 GLN H H 5.222 0.998 4.369 1.00 . A A . 7 GLN H 1 1
3 771 1 1 7 GLN HA H 2.329 1.395 4.511 1.00 . A A . 7 GLN HA 1 1
3 772 1 1 7 GLN HB2 H 4.717 3.342 4.382 1.00 . A A . 7 GLN HB2 1 1
3 773 1 1 7 GLN HB3 H 3.058 3.914 4.545 1.00 . A A . 7 GLN HB3 1 1
3 774 1 1 7 GLN HE21 H 2.108 4.408 7.439 1.00 . A A . 7 GLN HE21 1 1
3 775 1 1 7 GLN HE22 H 3.248 5.601 8.274 1.00 . A A . 7 GLN HE22 1 1
3 776 1 1 7 GLN HG2 H 2.943 2.386 6.733 1.00 . A A . 7 GLN HG2 1 1
3 777 1 1 7 GLN HG3 H 4.679 2.247 6.597 1.00 . A A . 7 GLN HG3 1 1
3 778 1 1 7 GLN N N 4.268 0.805 3.992 1.00 . A A . 7 GLN N 1 1
3 779 1 1 7 GLN NE2 N 3.017 4.814 7.665 1.00 . A A . 7 GLN NE2 1 1
3 780 1 1 7 GLN O O 1.632 2.428 2.300 1.00 . A A . 7 GLN O 1 1
3 781 1 1 7 GLN OE1 O 5.171 4.561 7.453 1.00 . A A . 7 GLN OE1 1 1
3 782 1 1 8 ARG C C 2.747 1.445 -0.380 1.00 . A A . 8 ARG C 1 1
3 783 1 1 8 ARG CA C 3.522 2.548 0.301 1.00 . A A . 8 ARG CA 1 1
3 784 1 1 8 ARG CB C 4.882 2.803 -0.409 1.00 . A A . 8 ARG CB 1 1
3 785 1 1 8 ARG CD C 6.424 4.661 -1.290 1.00 . A A . 8 ARG CD 1 1
3 786 1 1 8 ARG CG C 5.491 4.209 -0.159 1.00 . A A . 8 ARG CG 1 1
3 787 1 1 8 ARG CZ C 6.193 7.150 -1.216 1.00 . A A . 8 ARG CZ 1 1
3 788 1 1 8 ARG H H 4.737 2.012 2.054 1.00 . A A . 8 ARG H 1 1
3 789 1 1 8 ARG HA H 2.904 3.465 0.257 1.00 . A A . 8 ARG HA 1 1
3 790 1 1 8 ARG HB2 H 5.620 2.044 -0.085 1.00 . A A . 8 ARG HB2 1 1
3 791 1 1 8 ARG HB3 H 4.766 2.634 -1.498 1.00 . A A . 8 ARG HB3 1 1
3 792 1 1 8 ARG HD2 H 7.289 3.974 -1.375 1.00 . A A . 8 ARG HD2 1 1
3 793 1 1 8 ARG HD3 H 5.891 4.634 -2.263 1.00 . A A . 8 ARG HD3 1 1
3 794 1 1 8 ARG HE H 7.820 6.146 -0.572 1.00 . A A . 8 ARG HE 1 1
3 795 1 1 8 ARG HG2 H 4.681 4.956 -0.029 1.00 . A A . 8 ARG HG2 1 1
3 796 1 1 8 ARG HG3 H 6.060 4.233 0.792 1.00 . A A . 8 ARG HG3 1 1
3 797 1 1 8 ARG HH11 H 4.644 6.251 -1.968 1.00 . A A . 8 ARG HH11 1 1
3 798 1 1 8 ARG HH12 H 4.573 8.093 -1.866 1.00 . A A . 8 ARG HH12 1 1
3 799 1 1 8 ARG HH21 H 7.670 8.134 -0.489 1.00 . A A . 8 ARG HH21 1 1
3 800 1 1 8 ARG HH22 H 6.214 9.122 -1.060 1.00 . A A . 8 ARG HH22 1 1
3 801 1 1 8 ARG N N 3.779 2.246 1.708 1.00 . A A . 8 ARG N 1 1
3 802 1 1 8 ARG NE N 6.885 6.041 -0.991 1.00 . A A . 8 ARG NE 1 1
3 803 1 1 8 ARG NH1 N 5.004 7.178 -1.741 1.00 . A A . 8 ARG NH1 1 1
3 804 1 1 8 ARG NH2 N 6.740 8.267 -0.892 1.00 . A A . 8 ARG NH2 1 1
3 805 1 1 8 ARG O O 2.095 1.655 -1.413 1.00 . A A . 8 ARG O 1 1
3 806 1 1 9 LEU C C 0.617 -0.833 -0.001 1.00 . A A . 9 LEU C 1 1
3 807 1 1 9 LEU CA C 2.078 -0.896 -0.376 1.00 . A A . 9 LEU CA 1 1
3 808 1 1 9 LEU CB C 2.717 -2.230 0.107 1.00 . A A . 9 LEU CB 1 1
3 809 1 1 9 LEU CD1 C 1.073 -4.075 -0.438 1.00 . A A . 9 LEU CD1 1 1
3 810 1 1 9 LEU CD2 C 2.524 -4.318 1.597 1.00 . A A . 9 LEU CD2 1 1
3 811 1 1 9 LEU CG C 1.780 -3.319 0.695 1.00 . A A . 9 LEU CG 1 1
3 812 1 1 9 LEU H H 3.454 0.146 0.981 1.00 . A A . 9 LEU H 1 1
3 813 1 1 9 LEU HA H 2.121 -0.843 -1.479 1.00 . A A . 9 LEU HA 1 1
3 814 1 1 9 LEU HB2 H 3.280 -2.679 -0.737 1.00 . A A . 9 LEU HB2 1 1
3 815 1 1 9 LEU HB3 H 3.492 -1.994 0.862 1.00 . A A . 9 LEU HB3 1 1
3 816 1 1 9 LEU HD11 H 0.489 -3.393 -1.087 1.00 . A A . 9 LEU HD11 1 1
3 817 1 1 9 LEU HD12 H 1.784 -4.616 -1.091 1.00 . A A . 9 LEU HD12 1 1
3 818 1 1 9 LEU HD13 H 0.358 -4.823 -0.046 1.00 . A A . 9 LEU HD13 1 1
3 819 1 1 9 LEU HD21 H 3.368 -4.807 1.075 1.00 . A A . 9 LEU HD21 1 1
3 820 1 1 9 LEU HD22 H 2.937 -3.818 2.493 1.00 . A A . 9 LEU HD22 1 1
3 821 1 1 9 LEU HD23 H 1.855 -5.114 1.973 1.00 . A A . 9 LEU HD23 1 1
3 822 1 1 9 LEU HG H 1.002 -2.814 1.304 1.00 . A A . 9 LEU HG 1 1
3 823 1 1 9 LEU N N 2.810 0.246 0.167 1.00 . A A . 9 LEU N 1 1
3 824 1 1 9 LEU O O -0.275 -1.178 -0.782 1.00 . A A . 9 LEU O 1 1
3 825 1 1 10 ALA C C -1.714 0.869 0.866 1.00 . A A . 10 ALA C 1 1
3 826 1 1 10 ALA CA C -1.015 -0.190 1.685 1.00 . A A . 10 ALA CA 1 1
3 827 1 1 10 ALA CB C -0.953 0.164 3.182 1.00 . A A . 10 ALA CB 1 1
3 828 1 1 10 ALA H H 1.180 -0.278 1.846 1.00 . A A . 10 ALA H 1 1
3 829 1 1 10 ALA HA H -1.581 -1.131 1.552 1.00 . A A . 10 ALA HA 1 1
3 830 1 1 10 ALA HB1 H -0.473 -0.640 3.773 1.00 . A A . 10 ALA HB1 1 1
3 831 1 1 10 ALA HB2 H -0.378 1.090 3.369 1.00 . A A . 10 ALA HB2 1 1
3 832 1 1 10 ALA HB3 H -1.960 0.313 3.612 1.00 . A A . 10 ALA HB3 1 1
3 833 1 1 10 ALA N N 0.353 -0.404 1.221 1.00 . A A . 10 ALA N 1 1
3 834 1 1 10 ALA O O -2.935 0.836 0.666 1.00 . A A . 10 ALA O 1 1
3 835 1 1 11 ALA C C -2.025 2.555 -1.697 1.00 . A A . 11 ALA C 1 1
3 836 1 1 11 ALA CA C -1.523 2.975 -0.336 1.00 . A A . 11 ALA CA 1 1
3 837 1 1 11 ALA CB C -0.442 4.067 -0.411 1.00 . A A . 11 ALA CB 1 1
3 838 1 1 11 ALA H H 0.061 1.776 0.609 1.00 . A A . 11 ALA H 1 1
3 839 1 1 11 ALA HA H -2.393 3.357 0.231 1.00 . A A . 11 ALA HA 1 1
3 840 1 1 11 ALA HB1 H -0.114 4.391 0.595 1.00 . A A . 11 ALA HB1 1 1
3 841 1 1 11 ALA HB2 H 0.462 3.723 -0.950 1.00 . A A . 11 ALA HB2 1 1
3 842 1 1 11 ALA HB3 H -0.806 4.972 -0.931 1.00 . A A . 11 ALA HB3 1 1
3 843 1 1 11 ALA N N -0.958 1.841 0.391 1.00 . A A . 11 ALA N 1 1
3 844 1 1 11 ALA O O -3.069 3.009 -2.177 1.00 . A A . 11 ALA O 1 1
3 845 1 1 12 ARG C C -2.934 0.320 -3.525 1.00 . A A . 12 ARG C 1 1
3 846 1 1 12 ARG CA C -1.674 1.144 -3.647 1.00 . A A . 12 ARG CA 1 1
3 847 1 1 12 ARG CB C -0.500 0.304 -4.221 1.00 . A A . 12 ARG CB 1 1
3 848 1 1 12 ARG CD C -1.077 -0.465 -6.602 1.00 . A A . 12 ARG CD 1 1
3 849 1 1 12 ARG CG C -0.241 0.489 -5.739 1.00 . A A . 12 ARG CG 1 1
3 850 1 1 12 ARG CZ C -0.665 -0.864 -9.036 1.00 . A A . 12 ARG CZ 1 1
3 851 1 1 12 ARG H H -0.407 1.374 -1.864 1.00 . A A . 12 ARG H 1 1
3 852 1 1 12 ARG HA H -1.892 1.991 -4.324 1.00 . A A . 12 ARG HA 1 1
3 853 1 1 12 ARG HB2 H 0.436 0.551 -3.679 1.00 . A A . 12 ARG HB2 1 1
3 854 1 1 12 ARG HB3 H -0.672 -0.770 -3.998 1.00 . A A . 12 ARG HB3 1 1
3 855 1 1 12 ARG HD2 H -0.733 -1.510 -6.467 1.00 . A A . 12 ARG HD2 1 1
3 856 1 1 12 ARG HD3 H -2.141 -0.432 -6.293 1.00 . A A . 12 ARG HD3 1 1
3 857 1 1 12 ARG HE H -1.063 0.946 -8.238 1.00 . A A . 12 ARG HE 1 1
3 858 1 1 12 ARG HG2 H -0.461 1.528 -6.057 1.00 . A A . 12 ARG HG2 1 1
3 859 1 1 12 ARG HG3 H 0.836 0.341 -5.963 1.00 . A A . 12 ARG HG3 1 1
3 860 1 1 12 ARG HH11 H -0.560 -2.477 -7.959 1.00 . A A . 12 ARG HH11 1 1
3 861 1 1 12 ARG HH12 H -0.274 -2.663 -9.773 1.00 . A A . 12 ARG HH12 1 1
3 862 1 1 12 ARG HH21 H -0.749 0.666 -10.189 1.00 . A A . 12 ARG HH21 1 1
3 863 1 1 12 ARG HH22 H -0.374 -0.958 -10.991 1.00 . A A . 12 ARG HH22 1 1
3 864 1 1 12 ARG N N -1.276 1.686 -2.350 1.00 . A A . 12 ARG N 1 1
3 865 1 1 12 ARG NE N -0.937 -0.053 -8.022 1.00 . A A . 12 ARG NE 1 1
3 866 1 1 12 ARG NH1 N -0.476 -2.145 -8.920 1.00 . A A . 12 ARG NH1 1 1
3 867 1 1 12 ARG NH2 N -0.585 -0.342 -10.208 1.00 . A A . 12 ARG NH2 1 1
3 868 1 1 12 ARG O O -3.832 0.364 -4.371 1.00 . A A . 12 ARG O 1 1
3 869 1 1 13 LEU C C -5.382 -0.567 -1.779 1.00 . A A . 13 LEU C 1 1
3 870 1 1 13 LEU CA C -4.157 -1.334 -2.217 1.00 . A A . 13 LEU CA 1 1
3 871 1 1 13 LEU CB C -3.786 -2.419 -1.162 1.00 . A A . 13 LEU CB 1 1
3 872 1 1 13 LEU CD1 C -2.923 -4.763 -0.542 1.00 . A A . 13 LEU CD1 1 1
3 873 1 1 13 LEU CD2 C -4.054 -4.371 -2.751 1.00 . A A . 13 LEU CD2 1 1
3 874 1 1 13 LEU CG C -3.160 -3.746 -1.671 1.00 . A A . 13 LEU CG 1 1
3 875 1 1 13 LEU H H -2.179 -0.461 -1.834 1.00 . A A . 13 LEU H 1 1
3 876 1 1 13 LEU HA H -4.426 -1.824 -3.171 1.00 . A A . 13 LEU HA 1 1
3 877 1 1 13 LEU HB2 H -3.092 -1.972 -0.423 1.00 . A A . 13 LEU HB2 1 1
3 878 1 1 13 LEU HB3 H -4.694 -2.665 -0.578 1.00 . A A . 13 LEU HB3 1 1
3 879 1 1 13 LEU HD11 H -2.389 -4.300 0.309 1.00 . A A . 13 LEU HD11 1 1
3 880 1 1 13 LEU HD12 H -3.872 -5.153 -0.131 1.00 . A A . 13 LEU HD12 1 1
3 881 1 1 13 LEU HD13 H -2.321 -5.627 -0.876 1.00 . A A . 13 LEU HD13 1 1
3 882 1 1 13 LEU HD21 H -4.283 -3.654 -3.562 1.00 . A A . 13 LEU HD21 1 1
3 883 1 1 13 LEU HD22 H -3.587 -5.257 -3.221 1.00 . A A . 13 LEU HD22 1 1
3 884 1 1 13 LEU HD23 H -5.026 -4.698 -2.336 1.00 . A A . 13 LEU HD23 1 1
3 885 1 1 13 LEU HG H -2.180 -3.509 -2.136 1.00 . A A . 13 LEU HG 1 1
3 886 1 1 13 LEU N N -3.011 -0.462 -2.465 1.00 . A A . 13 LEU N 1 1
3 887 1 1 13 LEU O O -6.509 -1.086 -1.803 1.00 . A A . 13 LEU O 1 1
3 888 1 1 14 GLU C C -7.217 1.787 -2.174 1.00 . A A . 14 GLU C 1 1
3 889 1 1 14 GLU CA C -6.321 1.531 -0.985 1.00 . A A . 14 GLU CA 1 1
3 890 1 1 14 GLU CB C -5.761 2.861 -0.406 1.00 . A A . 14 GLU CB 1 1
3 891 1 1 14 GLU CD C -7.906 2.911 1.162 1.00 . A A . 14 GLU CD 1 1
3 892 1 1 14 GLU CG C -6.609 3.577 0.696 1.00 . A A . 14 GLU CG 1 1
3 893 1 1 14 GLU H H -4.208 0.968 -1.233 1.00 . A A . 14 GLU H 1 1
3 894 1 1 14 GLU HA H -6.926 1.018 -0.216 1.00 . A A . 14 GLU HA 1 1
3 895 1 1 14 GLU HB2 H -4.748 2.672 0.000 1.00 . A A . 14 GLU HB2 1 1
3 896 1 1 14 GLU HB3 H -5.589 3.566 -1.243 1.00 . A A . 14 GLU HB3 1 1
3 897 1 1 14 GLU HG2 H -5.989 3.733 1.599 1.00 . A A . 14 GLU HG2 1 1
3 898 1 1 14 GLU HG3 H -6.874 4.599 0.369 1.00 . A A . 14 GLU HG3 1 1
3 899 1 1 14 GLU N N -5.200 0.667 -1.349 1.00 . A A . 14 GLU N 1 1
3 900 1 1 14 GLU O O -8.428 1.548 -2.145 1.00 . A A . 14 GLU O 1 1
3 901 1 1 14 GLU OE1 O -7.712 1.890 2.043 1.00 . A A . 14 GLU OE1 1 1
3 902 1 1 14 GLU OE2 O -9.012 3.264 0.776 1.00 . A A . 14 GLU OE2 1 1
3 903 1 1 15 ALA C C -7.910 1.381 -5.110 1.00 . A A . 15 ALA C 1 1
3 904 1 1 15 ALA CA C -7.369 2.628 -4.452 1.00 . A A . 15 ALA CA 1 1
3 905 1 1 15 ALA CB C -6.429 3.428 -5.371 1.00 . A A . 15 ALA CB 1 1
3 906 1 1 15 ALA H H -5.591 2.408 -3.176 1.00 . A A . 15 ALA H 1 1
3 907 1 1 15 ALA HA H -8.237 3.256 -4.176 1.00 . A A . 15 ALA HA 1 1
3 908 1 1 15 ALA HB1 H -6.074 4.357 -4.886 1.00 . A A . 15 ALA HB1 1 1
3 909 1 1 15 ALA HB2 H -5.531 2.847 -5.655 1.00 . A A . 15 ALA HB2 1 1
3 910 1 1 15 ALA HB3 H -6.930 3.731 -6.309 1.00 . A A . 15 ALA HB3 1 1
3 911 1 1 15 ALA N N -6.628 2.298 -3.238 1.00 . A A . 15 ALA N 1 1
3 912 1 1 15 ALA O O -9.001 1.366 -5.688 1.00 . A A . 15 ALA O 1 1
3 913 1 1 16 LEU C C -8.763 -1.528 -5.079 1.00 . A A . 16 LEU C 1 1
3 914 1 1 16 LEU CA C -7.504 -0.951 -5.679 1.00 . A A . 16 LEU CA 1 1
3 915 1 1 16 LEU CB C -6.328 -1.965 -5.585 1.00 . A A . 16 LEU CB 1 1
3 916 1 1 16 LEU CD1 C -3.928 -2.510 -6.178 1.00 . A A . 16 LEU CD1 1 1
3 917 1 1 16 LEU CD2 C -5.687 -2.726 -7.958 1.00 . A A . 16 LEU CD2 1 1
3 918 1 1 16 LEU CG C -5.254 -1.946 -6.707 1.00 . A A . 16 LEU CG 1 1
3 919 1 1 16 LEU H H -6.246 0.424 -4.511 1.00 . A A . 16 LEU H 1 1
3 920 1 1 16 LEU HA H -7.732 -0.748 -6.742 1.00 . A A . 16 LEU HA 1 1
3 921 1 1 16 LEU HB2 H -5.815 -1.817 -4.613 1.00 . A A . 16 LEU HB2 1 1
3 922 1 1 16 LEU HB3 H -6.745 -2.991 -5.524 1.00 . A A . 16 LEU HB3 1 1
3 923 1 1 16 LEU HD11 H -3.561 -1.946 -5.300 1.00 . A A . 16 LEU HD11 1 1
3 924 1 1 16 LEU HD12 H -4.016 -3.570 -5.871 1.00 . A A . 16 LEU HD12 1 1
3 925 1 1 16 LEU HD13 H -3.130 -2.458 -6.942 1.00 . A A . 16 LEU HD13 1 1
3 926 1 1 16 LEU HD21 H -5.952 -3.775 -7.728 1.00 . A A . 16 LEU HD21 1 1
3 927 1 1 16 LEU HD22 H -6.571 -2.262 -8.434 1.00 . A A . 16 LEU HD22 1 1
3 928 1 1 16 LEU HD23 H -4.896 -2.741 -8.731 1.00 . A A . 16 LEU HD23 1 1
3 929 1 1 16 LEU HG H -5.081 -0.889 -6.999 1.00 . A A . 16 LEU HG 1 1
3 930 1 1 16 LEU N N -7.143 0.309 -5.036 1.00 . A A . 16 LEU N 1 1
3 931 1 1 16 LEU O O -9.579 -2.164 -5.755 1.00 . A A . 16 LEU O 1 1
3 932 1 1 17 LYS C C -11.141 -0.916 -2.785 1.00 . A A . 17 LYS C 1 1
3 933 1 1 17 LYS CA C -10.046 -1.921 -3.045 1.00 . A A . 17 LYS CA 1 1
3 934 1 1 17 LYS CB C -9.512 -2.514 -1.710 1.00 . A A . 17 LYS CB 1 1
3 935 1 1 17 LYS CD C -11.725 -3.873 -1.744 1.00 . A A . 17 LYS CD 1 1
3 936 1 1 17 LYS CE C -12.287 -5.120 -1.047 1.00 . A A . 17 LYS CE 1 1
3 937 1 1 17 LYS CG C -10.576 -3.302 -0.908 1.00 . A A . 17 LYS CG 1 1
3 938 1 1 17 LYS H H -8.201 -0.764 -3.305 1.00 . A A . 17 LYS H 1 1
3 939 1 1 17 LYS HA H -10.472 -2.730 -3.666 1.00 . A A . 17 LYS HA 1 1
3 940 1 1 17 LYS HB2 H -8.649 -3.178 -1.918 1.00 . A A . 17 LYS HB2 1 1
3 941 1 1 17 LYS HB3 H -9.096 -1.698 -1.083 1.00 . A A . 17 LYS HB3 1 1
3 942 1 1 17 LYS HD2 H -12.507 -3.101 -1.884 1.00 . A A . 17 LYS HD2 1 1
3 943 1 1 17 LYS HD3 H -11.359 -4.134 -2.758 1.00 . A A . 17 LYS HD3 1 1
3 944 1 1 17 LYS HE2 H -11.962 -6.040 -1.577 1.00 . A A . 17 LYS HE2 1 1
3 945 1 1 17 LYS HE3 H -11.893 -5.212 -0.013 1.00 . A A . 17 LYS HE3 1 1
3 946 1 1 17 LYS HG2 H -10.084 -4.116 -0.339 1.00 . A A . 17 LYS HG2 1 1
3 947 1 1 17 LYS HG3 H -11.042 -2.650 -0.145 1.00 . A A . 17 LYS HG3 1 1
3 948 1 1 17 LYS HZ1 H -14.086 -4.396 -1.744 1.00 . A A . 17 LYS HZ1 1 1
3 949 1 1 17 LYS HZ2 H -14.157 -5.975 -1.170 1.00 . A A . 17 LYS HZ2 1 1
3 950 1 1 17 LYS HZ3 H -14.060 -4.691 -0.088 1.00 . A A . 17 LYS HZ3 1 1
3 951 1 1 17 LYS N N -8.934 -1.328 -3.786 1.00 . A A . 17 LYS N 1 1
3 952 1 1 17 LYS NZ N -13.758 -5.039 -1.009 1.00 . A A . 17 LYS NZ 1 1
3 953 1 1 17 LYS O O -11.839 -0.961 -1.764 1.00 . A A . 17 LYS O 1 1
3 954 1 1 18 GLU C C -13.556 0.717 -4.366 1.00 . A A . 18 GLU C 1 1
3 955 1 1 18 GLU CA C -12.324 1.061 -3.565 1.00 . A A . 18 GLU CA 1 1
3 956 1 1 18 GLU CB C -11.715 2.417 -4.023 1.00 . A A . 18 GLU CB 1 1
3 957 1 1 18 GLU CD C -11.991 5.061 -4.059 1.00 . A A . 18 GLU CD 1 1
3 958 1 1 18 GLU CG C -12.320 3.719 -3.401 1.00 . A A . 18 GLU CG 1 1
3 959 1 1 18 GLU H H -10.632 0.016 -4.495 1.00 . A A . 18 GLU H 1 1
3 960 1 1 18 GLU HA H -12.615 1.130 -2.502 1.00 . A A . 18 GLU HA 1 1
3 961 1 1 18 GLU HB2 H -10.627 2.405 -3.822 1.00 . A A . 18 GLU HB2 1 1
3 962 1 1 18 GLU HB3 H -11.788 2.480 -5.127 1.00 . A A . 18 GLU HB3 1 1
3 963 1 1 18 GLU HG2 H -13.423 3.645 -3.360 1.00 . A A . 18 GLU HG2 1 1
3 964 1 1 18 GLU HG3 H -12.015 3.801 -2.340 1.00 . A A . 18 GLU HG3 1 1
3 965 1 1 18 GLU N N -11.305 0.023 -3.697 1.00 . A A . 18 GLU N 1 1
3 966 1 1 18 GLU O O -13.759 1.190 -5.490 1.00 . A A . 18 GLU O 1 1
3 967 1 1 18 GLU OE1 O -10.708 5.152 -4.507 1.00 . A A . 18 GLU OE1 1 1
3 968 1 1 18 GLU OE2 O -12.807 5.966 -4.171 1.00 . A A . 18 GLU OE2 1 1
3 969 1 1 19 ASN C C -16.504 -1.358 -3.545 1.00 . A A . 19 ASN C 1 1
3 970 1 1 19 ASN CA C -15.608 -0.583 -4.482 1.00 . A A . 19 ASN CA 1 1
3 971 1 1 19 ASN CB C -15.192 -1.461 -5.698 1.00 . A A . 19 ASN CB 1 1
3 972 1 1 19 ASN CG C -15.948 -1.231 -7.011 1.00 . A A . 19 ASN CG 1 1
3 973 1 1 19 ASN H H -14.155 -0.440 -2.835 1.00 . A A . 19 ASN H 1 1
3 974 1 1 19 ASN HA H -16.182 0.296 -4.831 1.00 . A A . 19 ASN HA 1 1
3 975 1 1 19 ASN HB2 H -14.110 -1.353 -5.899 1.00 . A A . 19 ASN HB2 1 1
3 976 1 1 19 ASN HB3 H -15.318 -2.531 -5.442 1.00 . A A . 19 ASN HB3 1 1
3 977 1 1 19 ASN HD21 H -15.683 0.738 -6.889 1.00 . A A . 19 ASN HD21 1 1
3 978 1 1 19 ASN HD22 H -16.641 0.041 -8.307 1.00 . A A . 19 ASN HD22 1 1
3 979 1 1 19 ASN N N -14.411 -0.109 -3.792 1.00 . A A . 19 ASN N 1 1
3 980 1 1 19 ASN ND2 N -16.050 -0.013 -7.473 1.00 . A A . 19 ASN ND2 1 1
3 981 1 1 19 ASN O O -17.691 -1.060 -3.379 1.00 . A A . 19 ASN O 1 1
3 982 1 1 19 ASN OD1 O -16.458 -2.146 -7.640 1.00 . A A . 19 ASN OD1 1 1
3 983 1 1 20 GLY C C -16.976 -4.578 -2.640 1.00 . A A . 20 GLY C 1 1
3 984 1 1 20 GLY CA C -16.698 -3.234 -2.010 1.00 . A A . 20 GLY CA 1 1
3 985 1 1 20 GLY H H -14.932 -2.538 -3.121 1.00 . A A . 20 GLY H 1 1
3 986 1 1 20 GLY HA2 H -16.135 -3.383 -1.070 1.00 . A A . 20 GLY HA2 1 1
3 987 1 1 20 GLY HA3 H -17.656 -2.755 -1.738 1.00 . A A . 20 GLY HA3 1 1
3 988 1 1 20 GLY N N -15.944 -2.376 -2.919 1.00 . A A . 20 GLY N 1 1
3 989 1 1 20 GLY O O -16.836 -4.779 -3.886 1.00 . A A . 20 GLY O 1 1
3 990 1 1 20 GLY OXT O -17.358 -5.496 -1.849 1.00 . A A . 20 GLY OXT 1 1
4 991 1 1 1 TYR C C 11.469 -1.986 3.604 1.00 . A A . 1 TYR C 1 1
4 992 1 1 1 TYR CA C 12.714 -1.379 3.003 1.00 . A A . 1 TYR CA 1 1
4 993 1 1 1 TYR CB C 13.831 -2.466 3.019 1.00 . A A . 1 TYR CB 1 1
4 994 1 1 1 TYR CD1 C 12.806 -3.777 1.090 1.00 . A A . 1 TYR CD1 1 1
4 995 1 1 1 TYR CD2 C 13.963 -4.995 2.827 1.00 . A A . 1 TYR CD2 1 1
4 996 1 1 1 TYR CE1 C 12.531 -4.976 0.437 1.00 . A A . 1 TYR CE1 1 1
4 997 1 1 1 TYR CE2 C 13.690 -6.192 2.171 1.00 . A A . 1 TYR CE2 1 1
4 998 1 1 1 TYR CG C 13.527 -3.780 2.289 1.00 . A A . 1 TYR CG 1 1
4 999 1 1 1 TYR CZ C 12.976 -6.180 0.975 1.00 . A A . 1 TYR CZ 1 1
4 1000 1 1 1 TYR H1 H 12.314 0.233 4.208 1.00 . A A . 1 TYR H1 1 1
4 1001 1 1 1 TYR H2 H 13.829 -0.457 4.455 1.00 . A A . 1 TYR H2 1 1
4 1002 1 1 1 TYR H3 H 13.547 0.491 3.094 1.00 . A A . 1 TYR H3 1 1
4 1003 1 1 1 TYR HA H 12.483 -1.088 1.961 1.00 . A A . 1 TYR HA 1 1
4 1004 1 1 1 TYR HB2 H 14.773 -2.029 2.627 1.00 . A A . 1 TYR HB2 1 1
4 1005 1 1 1 TYR HB3 H 14.083 -2.721 4.068 1.00 . A A . 1 TYR HB3 1 1
4 1006 1 1 1 TYR HD1 H 12.466 -2.845 0.660 1.00 . A A . 1 TYR HD1 1 1
4 1007 1 1 1 TYR HD2 H 14.529 -5.009 3.749 1.00 . A A . 1 TYR HD2 1 1
4 1008 1 1 1 TYR HE1 H 11.980 -4.975 -0.492 1.00 . A A . 1 TYR HE1 1 1
4 1009 1 1 1 TYR HE2 H 14.041 -7.121 2.593 1.00 . A A . 1 TYR HE2 1 1
4 1010 1 1 1 TYR HH H 13.157 -7.345 -0.519 1.00 . A A . 1 TYR HH 1 1
4 1011 1 1 1 TYR N N 13.131 -0.192 3.744 1.00 . A A . 1 TYR N 1 1
4 1012 1 1 1 TYR O O 10.607 -2.535 2.911 1.00 . A A . 1 TYR O 1 1
4 1013 1 1 1 TYR OH O 12.708 -7.353 0.329 1.00 . A A . 1 TYR OH 1 1
4 1014 1 1 2 SER C C 9.683 -1.459 6.639 1.00 . A A . 2 SER C 1 1
4 1015 1 1 2 SER CA C 10.215 -2.453 5.635 1.00 . A A . 2 SER CA 1 1
4 1016 1 1 2 SER CB C 10.571 -3.804 6.305 1.00 . A A . 2 SER CB 1 1
4 1017 1 1 2 SER H H 12.161 -1.450 5.414 1.00 . A A . 2 SER H 1 1
4 1018 1 1 2 SER HA H 9.408 -2.630 4.900 1.00 . A A . 2 SER HA 1 1
4 1019 1 1 2 SER HB2 H 11.044 -4.498 5.583 1.00 . A A . 2 SER HB2 1 1
4 1020 1 1 2 SER HB3 H 11.338 -3.642 7.088 1.00 . A A . 2 SER HB3 1 1
4 1021 1 1 2 SER HG H 9.600 -5.389 6.890 1.00 . A A . 2 SER HG 1 1
4 1022 1 1 2 SER N N 11.365 -1.910 4.918 1.00 . A A . 2 SER N 1 1
4 1023 1 1 2 SER O O 9.603 -1.723 7.843 1.00 . A A . 2 SER O 1 1
4 1024 1 1 2 SER OG O 9.439 -4.441 6.909 1.00 . A A . 2 SER OG 1 1
4 1025 1 1 3 ASP C C 8.354 1.970 6.203 1.00 . A A . 3 ASP C 1 1
4 1026 1 1 3 ASP CA C 8.727 0.747 7.006 1.00 . A A . 3 ASP CA 1 1
4 1027 1 1 3 ASP CB C 9.708 1.089 8.157 1.00 . A A . 3 ASP CB 1 1
4 1028 1 1 3 ASP CG C 9.482 2.424 8.883 1.00 . A A . 3 ASP CG 1 1
4 1029 1 1 3 ASP H H 9.397 -0.174 5.120 1.00 . A A . 3 ASP H 1 1
4 1030 1 1 3 ASP HA H 7.786 0.338 7.418 1.00 . A A . 3 ASP HA 1 1
4 1031 1 1 3 ASP HB2 H 9.715 0.294 8.924 1.00 . A A . 3 ASP HB2 1 1
4 1032 1 1 3 ASP HB3 H 10.744 1.102 7.763 1.00 . A A . 3 ASP HB3 1 1
4 1033 1 1 3 ASP N N 9.294 -0.294 6.153 1.00 . A A . 3 ASP N 1 1
4 1034 1 1 3 ASP O O 7.319 2.608 6.421 1.00 . A A . 3 ASP O 1 1
4 1035 1 1 3 ASP OD1 O 8.582 2.599 9.691 1.00 . A A . 3 ASP OD1 1 1
4 1036 1 1 3 ASP OD2 O 10.404 3.375 8.543 1.00 . A A . 3 ASP OD2 1 1
4 1037 1 1 4 GLU C C 8.246 2.912 3.085 1.00 . A A . 4 GLU C 1 1
4 1038 1 1 4 GLU CA C 8.930 3.417 4.333 1.00 . A A . 4 GLU CA 1 1
4 1039 1 1 4 GLU CB C 10.272 4.125 3.993 1.00 . A A . 4 GLU CB 1 1
4 1040 1 1 4 GLU CD C 12.471 3.295 5.234 1.00 . A A . 4 GLU CD 1 1
4 1041 1 1 4 GLU CG C 11.310 4.290 5.151 1.00 . A A . 4 GLU CG 1 1
4 1042 1 1 4 GLU H H 10.111 1.801 5.243 1.00 . A A . 4 GLU H 1 1
4 1043 1 1 4 GLU HA H 8.248 4.134 4.826 1.00 . A A . 4 GLU HA 1 1
4 1044 1 1 4 GLU HB2 H 10.753 3.588 3.152 1.00 . A A . 4 GLU HB2 1 1
4 1045 1 1 4 GLU HB3 H 10.049 5.128 3.579 1.00 . A A . 4 GLU HB3 1 1
4 1046 1 1 4 GLU HG2 H 11.759 5.300 5.108 1.00 . A A . 4 GLU HG2 1 1
4 1047 1 1 4 GLU HG3 H 10.797 4.263 6.130 1.00 . A A . 4 GLU HG3 1 1
4 1048 1 1 4 GLU N N 9.206 2.322 5.258 1.00 . A A . 4 GLU N 1 1
4 1049 1 1 4 GLU O O 7.376 3.568 2.504 1.00 . A A . 4 GLU O 1 1
4 1050 1 1 4 GLU OE1 O 13.227 3.240 4.103 1.00 . A A . 4 GLU OE1 1 1
4 1051 1 1 4 GLU OE2 O 12.694 2.613 6.225 1.00 . A A . 4 GLU OE2 1 1
4 1052 1 1 5 LEU C C 6.938 0.292 1.635 1.00 . A A . 5 LEU C 1 1
4 1053 1 1 5 LEU CA C 8.148 1.164 1.395 1.00 . A A . 5 LEU CA 1 1
4 1054 1 1 5 LEU CB C 9.273 0.368 0.674 1.00 . A A . 5 LEU CB 1 1
4 1055 1 1 5 LEU CD1 C 11.619 0.390 -0.383 1.00 . A A . 5 LEU CD1 1 1
4 1056 1 1 5 LEU CD2 C 9.700 1.529 -1.534 1.00 . A A . 5 LEU CD2 1 1
4 1057 1 1 5 LEU CG C 10.306 1.162 -0.172 1.00 . A A . 5 LEU CG 1 1
4 1058 1 1 5 LEU H H 9.367 1.249 3.223 1.00 . A A . 5 LEU H 1 1
4 1059 1 1 5 LEU HA H 7.808 1.992 0.745 1.00 . A A . 5 LEU HA 1 1
4 1060 1 1 5 LEU HB2 H 9.830 -0.223 1.430 1.00 . A A . 5 LEU HB2 1 1
4 1061 1 1 5 LEU HB3 H 8.802 -0.393 0.020 1.00 . A A . 5 LEU HB3 1 1
4 1062 1 1 5 LEU HD11 H 12.014 0.002 0.575 1.00 . A A . 5 LEU HD11 1 1
4 1063 1 1 5 LEU HD12 H 11.481 -0.491 -1.036 1.00 . A A . 5 LEU HD12 1 1
4 1064 1 1 5 LEU HD13 H 12.409 1.020 -0.831 1.00 . A A . 5 LEU HD13 1 1
4 1065 1 1 5 LEU HD21 H 8.729 2.050 -1.425 1.00 . A A . 5 LEU HD21 1 1
4 1066 1 1 5 LEU HD22 H 10.361 2.192 -2.123 1.00 . A A . 5 LEU HD22 1 1
4 1067 1 1 5 LEU HD23 H 9.507 0.631 -2.150 1.00 . A A . 5 LEU HD23 1 1
4 1068 1 1 5 LEU HG H 10.541 2.105 0.366 1.00 . A A . 5 LEU HG 1 1
4 1069 1 1 5 LEU N N 8.643 1.732 2.645 1.00 . A A . 5 LEU N 1 1
4 1070 1 1 5 LEU O O 6.044 0.170 0.789 1.00 . A A . 5 LEU O 1 1
4 1071 1 1 6 ARG C C 4.487 -0.452 3.220 1.00 . A A . 6 ARG C 1 1
4 1072 1 1 6 ARG CA C 5.785 -1.220 3.152 1.00 . A A . 6 ARG CA 1 1
4 1073 1 1 6 ARG CB C 6.108 -1.910 4.507 1.00 . A A . 6 ARG CB 1 1
4 1074 1 1 6 ARG CD C 3.897 -2.881 5.376 1.00 . A A . 6 ARG CD 1 1
4 1075 1 1 6 ARG CG C 5.285 -3.193 4.799 1.00 . A A . 6 ARG CG 1 1
4 1076 1 1 6 ARG CZ C 3.522 -4.515 7.231 1.00 . A A . 6 ARG CZ 1 1
4 1077 1 1 6 ARG H H 7.728 -0.224 3.410 1.00 . A A . 6 ARG H 1 1
4 1078 1 1 6 ARG HA H 5.678 -1.988 2.365 1.00 . A A . 6 ARG HA 1 1
4 1079 1 1 6 ARG HB2 H 7.192 -2.141 4.555 1.00 . A A . 6 ARG HB2 1 1
4 1080 1 1 6 ARG HB3 H 5.937 -1.194 5.334 1.00 . A A . 6 ARG HB3 1 1
4 1081 1 1 6 ARG HD2 H 3.967 -2.082 6.141 1.00 . A A . 6 ARG HD2 1 1
4 1082 1 1 6 ARG HD3 H 3.223 -2.508 4.578 1.00 . A A . 6 ARG HD3 1 1
4 1083 1 1 6 ARG HE H 2.788 -4.736 5.364 1.00 . A A . 6 ARG HE 1 1
4 1084 1 1 6 ARG HG2 H 5.151 -3.798 3.880 1.00 . A A . 6 ARG HG2 1 1
4 1085 1 1 6 ARG HG3 H 5.836 -3.850 5.501 1.00 . A A . 6 ARG HG3 1 1
4 1086 1 1 6 ARG HH11 H 4.605 -2.989 7.752 1.00 . A A . 6 ARG HH11 1 1
4 1087 1 1 6 ARG HH12 H 4.266 -4.256 9.051 1.00 . A A . 6 ARG HH12 1 1
4 1088 1 1 6 ARG HH21 H 2.460 -6.060 6.821 1.00 . A A . 6 ARG HH21 1 1
4 1089 1 1 6 ARG HH22 H 3.102 -5.927 8.551 1.00 . A A . 6 ARG HH22 1 1
4 1090 1 1 6 ARG N N 6.896 -0.345 2.790 1.00 . A A . 6 ARG N 1 1
4 1091 1 1 6 ARG NE N 3.350 -4.125 5.975 1.00 . A A . 6 ARG NE 1 1
4 1092 1 1 6 ARG NH1 N 4.206 -3.854 8.117 1.00 . A A . 6 ARG NH1 1 1
4 1093 1 1 6 ARG NH2 N 2.972 -5.621 7.589 1.00 . A A . 6 ARG NH2 1 1
4 1094 1 1 6 ARG O O 3.434 -0.906 2.762 1.00 . A A . 6 ARG O 1 1
4 1095 1 1 7 GLN C C 2.831 2.030 2.646 1.00 . A A . 7 GLN C 1 1
4 1096 1 1 7 GLN CA C 3.359 1.564 3.982 1.00 . A A . 7 GLN CA 1 1
4 1097 1 1 7 GLN CB C 3.723 2.767 4.881 1.00 . A A . 7 GLN CB 1 1
4 1098 1 1 7 GLN CD C 4.913 5.156 5.013 1.00 . A A . 7 GLN CD 1 1
4 1099 1 1 7 GLN CG C 4.498 3.935 4.185 1.00 . A A . 7 GLN CG 1 1
4 1100 1 1 7 GLN H H 5.471 0.998 4.203 1.00 . A A . 7 GLN H 1 1
4 1101 1 1 7 GLN HA H 2.567 0.963 4.467 1.00 . A A . 7 GLN HA 1 1
4 1102 1 1 7 GLN HB2 H 2.795 3.176 5.325 1.00 . A A . 7 GLN HB2 1 1
4 1103 1 1 7 GLN HB3 H 4.322 2.399 5.739 1.00 . A A . 7 GLN HB3 1 1
4 1104 1 1 7 GLN HE21 H 4.607 4.198 6.708 1.00 . A A . 7 GLN HE21 1 1
4 1105 1 1 7 GLN HE22 H 5.148 5.963 6.796 1.00 . A A . 7 GLN HE22 1 1
4 1106 1 1 7 GLN HG2 H 5.405 3.542 3.689 1.00 . A A . 7 GLN HG2 1 1
4 1107 1 1 7 GLN HG3 H 3.895 4.354 3.358 1.00 . A A . 7 GLN HG3 1 1
4 1108 1 1 7 GLN N N 4.542 0.726 3.814 1.00 . A A . 7 GLN N 1 1
4 1109 1 1 7 GLN NE2 N 4.924 5.088 6.320 1.00 . A A . 7 GLN NE2 1 1
4 1110 1 1 7 GLN O O 1.621 2.104 2.410 1.00 . A A . 7 GLN O 1 1
4 1111 1 1 7 GLN OE1 O 5.215 6.210 4.475 1.00 . A A . 7 GLN OE1 1 1
4 1112 1 1 8 ARG C C 2.628 1.728 -0.334 1.00 . A A . 8 ARG C 1 1
4 1113 1 1 8 ARG CA C 3.381 2.808 0.406 1.00 . A A . 8 ARG CA 1 1
4 1114 1 1 8 ARG CB C 4.674 3.217 -0.352 1.00 . A A . 8 ARG CB 1 1
4 1115 1 1 8 ARG CD C 6.092 5.208 -1.134 1.00 . A A . 8 ARG CD 1 1
4 1116 1 1 8 ARG CG C 5.205 4.637 -0.020 1.00 . A A . 8 ARG CG 1 1
4 1117 1 1 8 ARG CZ C 4.773 7.053 -2.187 1.00 . A A . 8 ARG CZ 1 1
4 1118 1 1 8 ARG H H 4.736 2.298 2.061 1.00 . A A . 8 ARG H 1 1
4 1119 1 1 8 ARG HA H 2.710 3.683 0.496 1.00 . A A . 8 ARG HA 1 1
4 1120 1 1 8 ARG HB2 H 5.480 2.487 -0.136 1.00 . A A . 8 ARG HB2 1 1
4 1121 1 1 8 ARG HB3 H 4.504 3.127 -1.445 1.00 . A A . 8 ARG HB3 1 1
4 1122 1 1 8 ARG HD2 H 6.780 5.975 -0.725 1.00 . A A . 8 ARG HD2 1 1
4 1123 1 1 8 ARG HD3 H 6.723 4.408 -1.573 1.00 . A A . 8 ARG HD3 1 1
4 1124 1 1 8 ARG HE H 4.918 5.190 -2.948 1.00 . A A . 8 ARG HE 1 1
4 1125 1 1 8 ARG HG2 H 4.358 5.327 0.168 1.00 . A A . 8 ARG HG2 1 1
4 1126 1 1 8 ARG HG3 H 5.790 4.633 0.922 1.00 . A A . 8 ARG HG3 1 1
4 1127 1 1 8 ARG HH11 H 5.668 7.581 -0.546 1.00 . A A . 8 ARG HH11 1 1
4 1128 1 1 8 ARG HH12 H 4.663 8.871 -1.401 1.00 . A A . 8 ARG HH12 1 1
4 1129 1 1 8 ARG HH21 H 3.849 6.635 -3.815 1.00 . A A . 8 ARG HH21 1 1
4 1130 1 1 8 ARG HH22 H 3.670 8.363 -3.178 1.00 . A A . 8 ARG HH22 1 1
4 1131 1 1 8 ARG N N 3.741 2.369 1.752 1.00 . A A . 8 ARG N 1 1
4 1132 1 1 8 ARG NE N 5.212 5.802 -2.173 1.00 . A A . 8 ARG NE 1 1
4 1133 1 1 8 ARG NH1 N 5.061 7.942 -1.282 1.00 . A A . 8 ARG NH1 1 1
4 1134 1 1 8 ARG NH2 N 4.012 7.404 -3.162 1.00 . A A . 8 ARG NH2 1 1
4 1135 1 1 8 ARG O O 1.732 1.993 -1.142 1.00 . A A . 8 ARG O 1 1
4 1136 1 1 9 LEU C C 0.888 -0.751 -0.235 1.00 . A A . 9 LEU C 1 1
4 1137 1 1 9 LEU CA C 2.327 -0.661 -0.686 1.00 . A A . 9 LEU CA 1 1
4 1138 1 1 9 LEU CB C 3.097 -1.973 -0.359 1.00 . A A . 9 LEU CB 1 1
4 1139 1 1 9 LEU CD1 C 1.630 -3.973 -0.865 1.00 . A A . 9 LEU CD1 1 1
4 1140 1 1 9 LEU CD2 C 3.201 -4.096 1.090 1.00 . A A . 9 LEU CD2 1 1
4 1141 1 1 9 LEU CG C 2.310 -3.165 0.249 1.00 . A A . 9 LEU CG 1 1
4 1142 1 1 9 LEU H H 3.761 0.370 0.622 1.00 . A A . 9 LEU H 1 1
4 1143 1 1 9 LEU HA H 2.299 -0.512 -1.781 1.00 . A A . 9 LEU HA 1 1
4 1144 1 1 9 LEU HB2 H 3.598 -2.329 -1.285 1.00 . A A . 9 LEU HB2 1 1
4 1145 1 1 9 LEU HB3 H 3.935 -1.726 0.326 1.00 . A A . 9 LEU HB3 1 1
4 1146 1 1 9 LEU HD11 H 0.945 -3.346 -1.468 1.00 . A A . 9 LEU HD11 1 1
4 1147 1 1 9 LEU HD12 H 2.360 -4.422 -1.565 1.00 . A A . 9 LEU HD12 1 1
4 1148 1 1 9 LEU HD13 H 1.020 -4.800 -0.456 1.00 . A A . 9 LEU HD13 1 1
4 1149 1 1 9 LEU HD21 H 4.064 -4.481 0.517 1.00 . A A . 9 LEU HD21 1 1
4 1150 1 1 9 LEU HD22 H 3.604 -3.569 1.976 1.00 . A A . 9 LEU HD22 1 1
4 1151 1 1 9 LEU HD23 H 2.641 -4.964 1.480 1.00 . A A . 9 LEU HD23 1 1
4 1152 1 1 9 LEU HG H 1.515 -2.759 0.909 1.00 . A A . 9 LEU HG 1 1
4 1153 1 1 9 LEU N N 2.995 0.486 -0.078 1.00 . A A . 9 LEU N 1 1
4 1154 1 1 9 LEU O O -0.022 -1.075 -1.003 1.00 . A A . 9 LEU O 1 1
4 1155 1 1 10 ALA C C -1.499 0.684 0.961 1.00 . A A . 10 ALA C 1 1
4 1156 1 1 10 ALA CA C -0.683 -0.419 1.595 1.00 . A A . 10 ALA CA 1 1
4 1157 1 1 10 ALA CB C -0.556 -0.257 3.121 1.00 . A A . 10 ALA CB 1 1
4 1158 1 1 10 ALA H H 1.518 -0.355 1.632 1.00 . A A . 10 ALA H 1 1
4 1159 1 1 10 ALA HA H -1.194 -1.373 1.368 1.00 . A A . 10 ALA HA 1 1
4 1160 1 1 10 ALA HB1 H 0.011 -1.093 3.575 1.00 . A A . 10 ALA HB1 1 1
4 1161 1 1 10 ALA HB2 H -0.032 0.677 3.400 1.00 . A A . 10 ALA HB2 1 1
4 1162 1 1 10 ALA HB3 H -1.543 -0.239 3.618 1.00 . A A . 10 ALA HB3 1 1
4 1163 1 1 10 ALA N N 0.666 -0.477 1.039 1.00 . A A . 10 ALA N 1 1
4 1164 1 1 10 ALA O O -2.735 0.639 0.928 1.00 . A A . 10 ALA O 1 1
4 1165 1 1 11 ALA C C -2.156 2.303 -1.504 1.00 . A A . 11 ALA C 1 1
4 1166 1 1 11 ALA CA C -1.497 2.798 -0.239 1.00 . A A . 11 ALA CA 1 1
4 1167 1 1 11 ALA CB C -0.453 3.898 -0.504 1.00 . A A . 11 ALA CB 1 1
4 1168 1 1 11 ALA H H 0.199 1.711 0.650 1.00 . A A . 11 ALA H 1 1
4 1169 1 1 11 ALA HA H -2.296 3.199 0.412 1.00 . A A . 11 ALA HA 1 1
4 1170 1 1 11 ALA HB1 H -0.008 4.276 0.437 1.00 . A A . 11 ALA HB1 1 1
4 1171 1 1 11 ALA HB2 H 0.382 3.537 -1.135 1.00 . A A . 11 ALA HB2 1 1
4 1172 1 1 11 ALA HB3 H -0.895 4.771 -1.017 1.00 . A A . 11 ALA HB3 1 1
4 1173 1 1 11 ALA N N -0.828 1.706 0.465 1.00 . A A . 11 ALA N 1 1
4 1174 1 1 11 ALA O O -3.366 2.446 -1.710 1.00 . A A . 11 ALA O 1 1
4 1175 1 1 12 ARG C C -2.990 0.287 -3.514 1.00 . A A . 12 ARG C 1 1
4 1176 1 1 12 ARG CA C -1.851 1.263 -3.682 1.00 . A A . 12 ARG CA 1 1
4 1177 1 1 12 ARG CB C -0.671 0.628 -4.467 1.00 . A A . 12 ARG CB 1 1
4 1178 1 1 12 ARG CD C 0.315 0.170 -6.792 1.00 . A A . 12 ARG CD 1 1
4 1179 1 1 12 ARG CG C -0.508 1.132 -5.925 1.00 . A A . 12 ARG CG 1 1
4 1180 1 1 12 ARG CZ C 2.416 0.929 -7.913 1.00 . A A . 12 ARG CZ 1 1
4 1181 1 1 12 ARG H H -0.369 1.595 -2.090 1.00 . A A . 12 ARG H 1 1
4 1182 1 1 12 ARG HA H -2.238 2.138 -4.236 1.00 . A A . 12 ARG HA 1 1
4 1183 1 1 12 ARG HB2 H 0.280 0.814 -3.929 1.00 . A A . 12 ARG HB2 1 1
4 1184 1 1 12 ARG HB3 H -0.780 -0.477 -4.464 1.00 . A A . 12 ARG HB3 1 1
4 1185 1 1 12 ARG HD2 H 0.991 -0.439 -6.159 1.00 . A A . 12 ARG HD2 1 1
4 1186 1 1 12 ARG HD3 H -0.355 -0.537 -7.324 1.00 . A A . 12 ARG HD3 1 1
4 1187 1 1 12 ARG HE H 0.576 1.613 -8.379 1.00 . A A . 12 ARG HE 1 1
4 1188 1 1 12 ARG HG2 H -1.494 1.279 -6.409 1.00 . A A . 12 ARG HG2 1 1
4 1189 1 1 12 ARG HG3 H -0.030 2.133 -5.932 1.00 . A A . 12 ARG HG3 1 1
4 1190 1 1 12 ARG HH11 H 2.715 -0.401 -6.530 1.00 . A A . 12 ARG HH11 1 1
4 1191 1 1 12 ARG HH12 H 4.205 0.227 -7.421 1.00 . A A . 12 ARG HH12 1 1
4 1192 1 1 12 ARG HH21 H 2.231 2.243 -9.299 1.00 . A A . 12 ARG HH21 1 1
4 1193 1 1 12 ARG HH22 H 3.948 1.665 -8.927 1.00 . A A . 12 ARG HH22 1 1
4 1194 1 1 12 ARG N N -1.362 1.725 -2.385 1.00 . A A . 12 ARG N 1 1
4 1195 1 1 12 ARG NE N 1.099 0.971 -7.766 1.00 . A A . 12 ARG NE 1 1
4 1196 1 1 12 ARG NH1 N 3.209 0.172 -7.215 1.00 . A A . 12 ARG NH1 1 1
4 1197 1 1 12 ARG NH2 N 2.938 1.691 -8.809 1.00 . A A . 12 ARG NH2 1 1
4 1198 1 1 12 ARG O O -3.953 0.264 -4.287 1.00 . A A . 12 ARG O 1 1
4 1199 1 1 13 LEU C C -5.206 -0.968 -1.800 1.00 . A A . 13 LEU C 1 1
4 1200 1 1 13 LEU CA C -3.892 -1.576 -2.231 1.00 . A A . 13 LEU CA 1 1
4 1201 1 1 13 LEU CB C -3.370 -2.579 -1.162 1.00 . A A . 13 LEU CB 1 1
4 1202 1 1 13 LEU CD1 C -5.515 -3.225 0.016 1.00 . A A . 13 LEU CD1 1 1
4 1203 1 1 13 LEU CD2 C -3.342 -3.463 1.254 1.00 . A A . 13 LEU CD2 1 1
4 1204 1 1 13 LEU CG C -4.107 -2.642 0.203 1.00 . A A . 13 LEU CG 1 1
4 1205 1 1 13 LEU H H -2.038 -0.445 -1.901 1.00 . A A . 13 LEU H 1 1
4 1206 1 1 13 LEU HA H -4.092 -2.113 -3.176 1.00 . A A . 13 LEU HA 1 1
4 1207 1 1 13 LEU HB2 H -3.371 -3.597 -1.601 1.00 . A A . 13 LEU HB2 1 1
4 1208 1 1 13 LEU HB3 H -2.301 -2.361 -0.969 1.00 . A A . 13 LEU HB3 1 1
4 1209 1 1 13 LEU HD11 H -6.113 -2.634 -0.703 1.00 . A A . 13 LEU HD11 1 1
4 1210 1 1 13 LEU HD12 H -5.492 -4.267 -0.356 1.00 . A A . 13 LEU HD12 1 1
4 1211 1 1 13 LEU HD13 H -6.082 -3.231 0.966 1.00 . A A . 13 LEU HD13 1 1
4 1212 1 1 13 LEU HD21 H -3.129 -4.491 0.909 1.00 . A A . 13 LEU HD21 1 1
4 1213 1 1 13 LEU HD22 H -2.373 -2.992 1.502 1.00 . A A . 13 LEU HD22 1 1
4 1214 1 1 13 LEU HD23 H -3.899 -3.536 2.206 1.00 . A A . 13 LEU HD23 1 1
4 1215 1 1 13 LEU HG H -4.216 -1.605 0.584 1.00 . A A . 13 LEU HG 1 1
4 1216 1 1 13 LEU N N -2.895 -0.542 -2.491 1.00 . A A . 13 LEU N 1 1
4 1217 1 1 13 LEU O O -6.291 -1.476 -2.100 1.00 . A A . 13 LEU O 1 1
4 1218 1 1 14 GLU C C -7.181 1.338 -1.619 1.00 . A A . 14 GLU C 1 1
4 1219 1 1 14 GLU CA C -6.307 0.785 -0.519 1.00 . A A . 14 GLU CA 1 1
4 1220 1 1 14 GLU CB C -5.849 1.912 0.451 1.00 . A A . 14 GLU CB 1 1
4 1221 1 1 14 GLU CD C -7.558 2.036 2.483 1.00 . A A . 14 GLU CD 1 1
4 1222 1 1 14 GLU CG C -6.150 1.718 1.974 1.00 . A A . 14 GLU CG 1 1
4 1223 1 1 14 GLU H H -4.158 0.463 -0.858 1.00 . A A . 14 GLU H 1 1
4 1224 1 1 14 GLU HA H -6.897 0.035 0.039 1.00 . A A . 14 GLU HA 1 1
4 1225 1 1 14 GLU HB2 H -4.758 2.065 0.327 1.00 . A A . 14 GLU HB2 1 1
4 1226 1 1 14 GLU HB3 H -6.294 2.870 0.115 1.00 . A A . 14 GLU HB3 1 1
4 1227 1 1 14 GLU HG2 H -5.933 0.674 2.267 1.00 . A A . 14 GLU HG2 1 1
4 1228 1 1 14 GLU HG3 H -5.447 2.321 2.580 1.00 . A A . 14 GLU HG3 1 1
4 1229 1 1 14 GLU N N -5.123 0.127 -1.067 1.00 . A A . 14 GLU N 1 1
4 1230 1 1 14 GLU O O -8.414 1.295 -1.559 1.00 . A A . 14 GLU O 1 1
4 1231 1 1 14 GLU OE1 O -8.282 2.872 1.959 1.00 . A A . 14 GLU OE1 1 1
4 1232 1 1 14 GLU OE2 O -7.926 1.303 3.570 1.00 . A A . 14 GLU OE2 1 1
4 1233 1 1 15 ALA C C -7.991 1.575 -4.603 1.00 . A A . 15 ALA C 1 1
4 1234 1 1 15 ALA CA C -7.262 2.561 -3.722 1.00 . A A . 15 ALA CA 1 1
4 1235 1 1 15 ALA CB C -6.235 3.405 -4.498 1.00 . A A . 15 ALA CB 1 1
4 1236 1 1 15 ALA H H -5.507 1.838 -2.612 1.00 . A A . 15 ALA H 1 1
4 1237 1 1 15 ALA HA H -8.024 3.228 -3.276 1.00 . A A . 15 ALA HA 1 1
4 1238 1 1 15 ALA HB1 H -5.738 4.148 -3.846 1.00 . A A . 15 ALA HB1 1 1
4 1239 1 1 15 ALA HB2 H -5.436 2.782 -4.945 1.00 . A A . 15 ALA HB2 1 1
4 1240 1 1 15 ALA HB3 H -6.706 3.972 -5.322 1.00 . A A . 15 ALA HB3 1 1
4 1241 1 1 15 ALA N N -6.550 1.883 -2.642 1.00 . A A . 15 ALA N 1 1
4 1242 1 1 15 ALA O O -9.086 1.840 -5.113 1.00 . A A . 15 ALA O 1 1
4 1243 1 1 16 LEU C C -9.112 -1.309 -5.109 1.00 . A A . 16 LEU C 1 1
4 1244 1 1 16 LEU CA C -7.932 -0.587 -5.716 1.00 . A A . 16 LEU CA 1 1
4 1245 1 1 16 LEU CB C -6.817 -1.588 -6.141 1.00 . A A . 16 LEU CB 1 1
4 1246 1 1 16 LEU CD1 C -4.733 -2.212 -7.437 1.00 . A A . 16 LEU CD1 1 1
4 1247 1 1 16 LEU CD2 C -6.445 -0.739 -8.542 1.00 . A A . 16 LEU CD2 1 1
4 1248 1 1 16 LEU CG C -5.788 -1.120 -7.205 1.00 . A A . 16 LEU CG 1 1
4 1249 1 1 16 LEU H H -6.496 0.269 -4.286 1.00 . A A . 16 LEU H 1 1
4 1250 1 1 16 LEU HA H -8.309 -0.069 -6.614 1.00 . A A . 16 LEU HA 1 1
4 1251 1 1 16 LEU HB2 H -6.260 -1.884 -5.231 1.00 . A A . 16 LEU HB2 1 1
4 1252 1 1 16 LEU HB3 H -7.295 -2.520 -6.499 1.00 . A A . 16 LEU HB3 1 1
4 1253 1 1 16 LEU HD11 H -4.208 -2.483 -6.503 1.00 . A A . 16 LEU HD11 1 1
4 1254 1 1 16 LEU HD12 H -5.175 -3.141 -7.846 1.00 . A A . 16 LEU HD12 1 1
4 1255 1 1 16 LEU HD13 H -3.956 -1.881 -8.152 1.00 . A A . 16 LEU HD13 1 1
4 1256 1 1 16 LEU HD21 H -7.048 -1.565 -8.963 1.00 . A A . 16 LEU HD21 1 1
4 1257 1 1 16 LEU HD22 H -7.116 0.132 -8.425 1.00 . A A . 16 LEU HD22 1 1
4 1258 1 1 16 LEU HD23 H -5.696 -0.449 -9.302 1.00 . A A . 16 LEU HD23 1 1
4 1259 1 1 16 LEU HG H -5.266 -0.224 -6.807 1.00 . A A . 16 LEU HG 1 1
4 1260 1 1 16 LEU N N -7.396 0.412 -4.795 1.00 . A A . 16 LEU N 1 1
4 1261 1 1 16 LEU O O -10.078 -1.671 -5.789 1.00 . A A . 16 LEU O 1 1
4 1262 1 1 17 LYS C C -11.090 -1.426 -2.452 1.00 . A A . 17 LYS C 1 1
4 1263 1 1 17 LYS CA C -10.062 -2.317 -3.106 1.00 . A A . 17 LYS CA 1 1
4 1264 1 1 17 LYS CB C -9.370 -3.226 -2.052 1.00 . A A . 17 LYS CB 1 1
4 1265 1 1 17 LYS CD C -11.514 -4.684 -2.205 1.00 . A A . 17 LYS CD 1 1
4 1266 1 1 17 LYS CE C -12.136 -5.931 -1.562 1.00 . A A . 17 LYS CE 1 1
4 1267 1 1 17 LYS CG C -10.339 -4.208 -1.347 1.00 . A A . 17 LYS CG 1 1
4 1268 1 1 17 LYS H H -8.203 -1.172 -3.320 1.00 . A A . 17 LYS H 1 1
4 1269 1 1 17 LYS HA H -10.585 -2.945 -3.850 1.00 . A A . 17 LYS HA 1 1
4 1270 1 1 17 LYS HB2 H -8.557 -3.804 -2.536 1.00 . A A . 17 LYS HB2 1 1
4 1271 1 1 17 LYS HB3 H -8.858 -2.595 -1.296 1.00 . A A . 17 LYS HB3 1 1
4 1272 1 1 17 LYS HD2 H -12.257 -3.868 -2.308 1.00 . A A . 17 LYS HD2 1 1
4 1273 1 1 17 LYS HD3 H -11.161 -4.916 -3.230 1.00 . A A . 17 LYS HD3 1 1
4 1274 1 1 17 LYS HE2 H -11.393 -6.449 -0.921 1.00 . A A . 17 LYS HE2 1 1
4 1275 1 1 17 LYS HE3 H -12.976 -5.658 -0.890 1.00 . A A . 17 LYS HE3 1 1
4 1276 1 1 17 LYS HG2 H -9.797 -5.118 -1.029 1.00 . A A . 17 LYS HG2 1 1
4 1277 1 1 17 LYS HG3 H -10.716 -3.748 -0.411 1.00 . A A . 17 LYS HG3 1 1
4 1278 1 1 17 LYS HZ1 H -13.255 -6.319 -3.249 1.00 . A A . 17 LYS HZ1 1 1
4 1279 1 1 17 LYS HZ2 H -11.824 -7.198 -3.157 1.00 . A A . 17 LYS HZ2 1 1
4 1280 1 1 17 LYS HZ3 H -13.134 -7.620 -2.191 1.00 . A A . 17 LYS HZ3 1 1
4 1281 1 1 17 LYS N N -9.047 -1.537 -3.811 1.00 . A A . 17 LYS N 1 1
4 1282 1 1 17 LYS NZ N -12.624 -6.835 -2.619 1.00 . A A . 17 LYS NZ 1 1
4 1283 1 1 17 LYS O O -11.652 -1.743 -1.396 1.00 . A A . 17 LYS O 1 1
4 1284 1 1 18 GLU C C -13.662 0.503 -3.232 1.00 . A A . 18 GLU C 1 1
4 1285 1 1 18 GLU CA C -12.330 0.665 -2.540 1.00 . A A . 18 GLU CA 1 1
4 1286 1 1 18 GLU CB C -11.771 2.106 -2.722 1.00 . A A . 18 GLU CB 1 1
4 1287 1 1 18 GLU CD C -11.928 4.499 -1.576 1.00 . A A . 18 GLU CD 1 1
4 1288 1 1 18 GLU CG C -12.642 3.287 -2.179 1.00 . A A . 18 GLU CG 1 1
4 1289 1 1 18 GLU H H -10.771 -0.067 -3.901 1.00 . A A . 18 GLU H 1 1
4 1290 1 1 18 GLU HA H -12.476 0.463 -1.464 1.00 . A A . 18 GLU HA 1 1
4 1291 1 1 18 GLU HB2 H -10.767 2.156 -2.258 1.00 . A A . 18 GLU HB2 1 1
4 1292 1 1 18 GLU HB3 H -11.582 2.273 -3.799 1.00 . A A . 18 GLU HB3 1 1
4 1293 1 1 18 GLU HG2 H -13.304 3.671 -2.977 1.00 . A A . 18 GLU HG2 1 1
4 1294 1 1 18 GLU HG3 H -13.339 2.911 -1.406 1.00 . A A . 18 GLU HG3 1 1
4 1295 1 1 18 GLU N N -11.347 -0.282 -3.059 1.00 . A A . 18 GLU N 1 1
4 1296 1 1 18 GLU O O -14.367 1.475 -3.527 1.00 . A A . 18 GLU O 1 1
4 1297 1 1 18 GLU OE1 O -11.692 4.388 -0.239 1.00 . A A . 18 GLU OE1 1 1
4 1298 1 1 18 GLU OE2 O -11.600 5.476 -2.237 1.00 . A A . 18 GLU OE2 1 1
4 1299 1 1 19 ASN C C -15.571 -2.521 -4.163 1.00 . A A . 19 ASN C 1 1
4 1300 1 1 19 ASN CA C -15.298 -1.036 -4.165 1.00 . A A . 19 ASN CA 1 1
4 1301 1 1 19 ASN CB C -15.282 -0.481 -5.619 1.00 . A A . 19 ASN CB 1 1
4 1302 1 1 19 ASN CG C -16.565 -0.648 -6.440 1.00 . A A . 19 ASN CG 1 1
4 1303 1 1 19 ASN H H -13.341 -1.481 -3.265 1.00 . A A . 19 ASN H 1 1
4 1304 1 1 19 ASN HA H -16.109 -0.554 -3.588 1.00 . A A . 19 ASN HA 1 1
4 1305 1 1 19 ASN HB2 H -15.056 0.603 -5.598 1.00 . A A . 19 ASN HB2 1 1
4 1306 1 1 19 ASN HB3 H -14.445 -0.923 -6.191 1.00 . A A . 19 ASN HB3 1 1
4 1307 1 1 19 ASN HD21 H -15.840 -2.257 -7.359 1.00 . A A . 19 ASN HD21 1 1
4 1308 1 1 19 ASN HD22 H -17.520 -1.638 -7.812 1.00 . A A . 19 ASN HD22 1 1
4 1309 1 1 19 ASN N N -14.026 -0.734 -3.514 1.00 . A A . 19 ASN N 1 1
4 1310 1 1 19 ASN ND2 N -16.663 -1.664 -7.254 1.00 . A A . 19 ASN ND2 1 1
4 1311 1 1 19 ASN O O -16.470 -3.021 -3.480 1.00 . A A . 19 ASN O 1 1
4 1312 1 1 19 ASN OD1 O -17.498 0.138 -6.360 1.00 . A A . 19 ASN OD1 1 1
4 1313 1 1 20 GLY C C -13.763 -5.351 -5.665 1.00 . A A . 20 GLY C 1 1
4 1314 1 1 20 GLY CA C -15.001 -4.687 -5.112 1.00 . A A . 20 GLY CA 1 1
4 1315 1 1 20 GLY H H -14.045 -2.737 -5.454 1.00 . A A . 20 GLY H 1 1
4 1316 1 1 20 GLY HA2 H -15.262 -5.154 -4.145 1.00 . A A . 20 GLY HA2 1 1
4 1317 1 1 20 GLY HA3 H -15.849 -4.872 -5.797 1.00 . A A . 20 GLY HA3 1 1
4 1318 1 1 20 GLY N N -14.794 -3.252 -4.941 1.00 . A A . 20 GLY N 1 1
4 1319 1 1 20 GLY O O -13.554 -6.597 -5.540 1.00 . A A . 20 GLY O 1 1
4 1320 1 1 20 GLY OXT O -12.943 -4.588 -6.264 1.00 . A A . 20 GLY OXT 1 1
5 1321 1 1 1 TYR C C 13.147 -2.762 5.525 1.00 . A A . 1 TYR C 1 1
5 1322 1 1 1 TYR CA C 14.146 -2.996 6.634 1.00 . A A . 1 TYR CA 1 1
5 1323 1 1 1 TYR CB C 15.389 -2.098 6.363 1.00 . A A . 1 TYR CB 1 1
5 1324 1 1 1 TYR CD1 C 16.243 -3.735 4.618 1.00 . A A . 1 TYR CD1 1 1
5 1325 1 1 1 TYR CD2 C 17.055 -1.461 4.545 1.00 . A A . 1 TYR CD2 1 1
5 1326 1 1 1 TYR CE1 C 17.036 -4.054 3.520 1.00 . A A . 1 TYR CE1 1 1
5 1327 1 1 1 TYR CE2 C 17.847 -1.783 3.445 1.00 . A A . 1 TYR CE2 1 1
5 1328 1 1 1 TYR CG C 16.250 -2.438 5.140 1.00 . A A . 1 TYR CG 1 1
5 1329 1 1 1 TYR CZ C 17.840 -3.079 2.936 1.00 . A A . 1 TYR CZ 1 1
5 1330 1 1 1 TYR H1 H 14.383 -4.846 5.786 1.00 . A A . 1 TYR H1 1 1
5 1331 1 1 1 TYR H2 H 15.523 -4.476 6.967 1.00 . A A . 1 TYR H2 1 1
5 1332 1 1 1 TYR H3 H 13.952 -4.881 7.412 1.00 . A A . 1 TYR H3 1 1
5 1333 1 1 1 TYR HA H 13.660 -2.710 7.587 1.00 . A A . 1 TYR HA 1 1
5 1334 1 1 1 TYR HB2 H 15.065 -1.036 6.301 1.00 . A A . 1 TYR HB2 1 1
5 1335 1 1 1 TYR HB3 H 16.065 -2.101 7.246 1.00 . A A . 1 TYR HB3 1 1
5 1336 1 1 1 TYR HD1 H 15.632 -4.502 5.075 1.00 . A A . 1 TYR HD1 1 1
5 1337 1 1 1 TYR HD2 H 17.074 -0.454 4.939 1.00 . A A . 1 TYR HD2 1 1
5 1338 1 1 1 TYR HE1 H 17.026 -5.062 3.133 1.00 . A A . 1 TYR HE1 1 1
5 1339 1 1 1 TYR HE2 H 18.474 -1.031 2.988 1.00 . A A . 1 TYR HE2 1 1
5 1340 1 1 1 TYR HH H 18.087 -3.880 1.228 1.00 . A A . 1 TYR HH 1 1
5 1341 1 1 1 TYR N N 14.529 -4.403 6.705 1.00 . A A . 1 TYR N 1 1
5 1342 1 1 1 TYR O O 13.450 -2.876 4.333 1.00 . A A . 1 TYR O 1 1
5 1343 1 1 1 TYR OH O 18.621 -3.393 1.860 1.00 . A A . 1 TYR OH 1 1
5 1344 1 1 2 SER C C 9.688 -1.484 5.613 1.00 . A A . 2 SER C 1 1
5 1345 1 1 2 SER CA C 10.849 -2.187 4.951 1.00 . A A . 2 SER CA 1 1
5 1346 1 1 2 SER CB C 10.408 -3.512 4.281 1.00 . A A . 2 SER CB 1 1
5 1347 1 1 2 SER H H 11.774 -2.357 6.938 1.00 . A A . 2 SER H 1 1
5 1348 1 1 2 SER HA H 11.230 -1.508 4.166 1.00 . A A . 2 SER HA 1 1
5 1349 1 1 2 SER HB2 H 10.718 -4.369 4.911 1.00 . A A . 2 SER HB2 1 1
5 1350 1 1 2 SER HB3 H 9.305 -3.585 4.225 1.00 . A A . 2 SER HB3 1 1
5 1351 1 1 2 SER HG H 10.379 -4.275 2.489 1.00 . A A . 2 SER HG 1 1
5 1352 1 1 2 SER N N 11.929 -2.422 5.906 1.00 . A A . 2 SER N 1 1
5 1353 1 1 2 SER O O 8.584 -2.023 5.744 1.00 . A A . 2 SER O 1 1
5 1354 1 1 2 SER OG O 10.966 -3.688 2.974 1.00 . A A . 2 SER OG 1 1
5 1355 1 1 3 ASP C C 8.146 1.445 5.904 1.00 . A A . 3 ASP C 1 1
5 1356 1 1 3 ASP CA C 8.926 0.505 6.791 1.00 . A A . 3 ASP CA 1 1
5 1357 1 1 3 ASP CB C 9.616 1.259 7.959 1.00 . A A . 3 ASP CB 1 1
5 1358 1 1 3 ASP CG C 8.978 1.114 9.348 1.00 . A A . 3 ASP CG 1 1
5 1359 1 1 3 ASP H H 10.866 0.130 5.828 1.00 . A A . 3 ASP H 1 1
5 1360 1 1 3 ASP HA H 8.204 -0.232 7.187 1.00 . A A . 3 ASP HA 1 1
5 1361 1 1 3 ASP HB2 H 10.677 0.964 8.051 1.00 . A A . 3 ASP HB2 1 1
5 1362 1 1 3 ASP HB3 H 9.650 2.343 7.725 1.00 . A A . 3 ASP HB3 1 1
5 1363 1 1 3 ASP N N 9.916 -0.253 6.030 1.00 . A A . 3 ASP N 1 1
5 1364 1 1 3 ASP O O 6.947 1.680 6.097 1.00 . A A . 3 ASP O 1 1
5 1365 1 1 3 ASP OD1 O 7.772 1.014 9.520 1.00 . A A . 3 ASP OD1 1 1
5 1366 1 1 3 ASP OD2 O 9.900 1.112 10.358 1.00 . A A . 3 ASP OD2 1 1
5 1367 1 1 4 GLU C C 7.555 2.416 2.843 1.00 . A A . 4 GLU C 1 1
5 1368 1 1 4 GLU CA C 8.215 3.026 4.057 1.00 . A A . 4 GLU CA 1 1
5 1369 1 1 4 GLU CB C 9.328 4.031 3.643 1.00 . A A . 4 GLU CB 1 1
5 1370 1 1 4 GLU CD C 11.984 3.989 3.740 1.00 . A A . 4 GLU CD 1 1
5 1371 1 1 4 GLU CG C 10.647 4.029 4.484 1.00 . A A . 4 GLU CG 1 1
5 1372 1 1 4 GLU H H 9.811 1.713 4.811 1.00 . A A . 4 GLU H 1 1
5 1373 1 1 4 GLU HA H 7.433 3.555 4.633 1.00 . A A . 4 GLU HA 1 1
5 1374 1 1 4 GLU HB2 H 9.581 3.860 2.578 1.00 . A A . 4 GLU HB2 1 1
5 1375 1 1 4 GLU HB3 H 8.905 5.055 3.658 1.00 . A A . 4 GLU HB3 1 1
5 1376 1 1 4 GLU HG2 H 10.673 4.922 5.137 1.00 . A A . 4 GLU HG2 1 1
5 1377 1 1 4 GLU HG3 H 10.647 3.178 5.190 1.00 . A A . 4 GLU HG3 1 1
5 1378 1 1 4 GLU N N 8.814 2.006 4.914 1.00 . A A . 4 GLU N 1 1
5 1379 1 1 4 GLU O O 6.460 2.813 2.428 1.00 . A A . 4 GLU O 1 1
5 1380 1 1 4 GLU OE1 O 12.031 4.806 2.652 1.00 . A A . 4 GLU OE1 1 1
5 1381 1 1 4 GLU OE2 O 12.921 3.285 4.092 1.00 . A A . 4 GLU OE2 1 1
5 1382 1 1 5 LEU C C 6.558 -0.058 1.211 1.00 . A A . 5 LEU C 1 1
5 1383 1 1 5 LEU CA C 7.750 0.844 0.997 1.00 . A A . 5 LEU CA 1 1
5 1384 1 1 5 LEU CB C 8.908 0.071 0.303 1.00 . A A . 5 LEU CB 1 1
5 1385 1 1 5 LEU CD1 C 11.416 0.333 0.085 1.00 . A A . 5 LEU CD1 1 1
5 1386 1 1 5 LEU CD2 C 9.969 0.932 -1.879 1.00 . A A . 5 LEU CD2 1 1
5 1387 1 1 5 LEU CG C 10.054 0.897 -0.344 1.00 . A A . 5 LEU CG 1 1
5 1388 1 1 5 LEU H H 9.086 1.119 2.725 1.00 . A A . 5 LEU H 1 1
5 1389 1 1 5 LEU HA H 7.402 1.659 0.335 1.00 . A A . 5 LEU HA 1 1
5 1390 1 1 5 LEU HB2 H 9.360 -0.626 1.038 1.00 . A A . 5 LEU HB2 1 1
5 1391 1 1 5 LEU HB3 H 8.474 -0.588 -0.474 1.00 . A A . 5 LEU HB3 1 1
5 1392 1 1 5 LEU HD11 H 11.532 0.330 1.186 1.00 . A A . 5 LEU HD11 1 1
5 1393 1 1 5 LEU HD12 H 11.568 -0.708 -0.261 1.00 . A A . 5 LEU HD12 1 1
5 1394 1 1 5 LEU HD13 H 12.252 0.935 -0.318 1.00 . A A . 5 LEU HD13 1 1
5 1395 1 1 5 LEU HD21 H 9.956 -0.080 -2.322 1.00 . A A . 5 LEU HD21 1 1
5 1396 1 1 5 LEU HD22 H 9.053 1.451 -2.217 1.00 . A A . 5 LEU HD22 1 1
5 1397 1 1 5 LEU HD23 H 10.816 1.485 -2.327 1.00 . A A . 5 LEU HD23 1 1
5 1398 1 1 5 LEU HG H 9.984 1.939 0.033 1.00 . A A . 5 LEU HG 1 1
5 1399 1 1 5 LEU N N 8.213 1.438 2.249 1.00 . A A . 5 LEU N 1 1
5 1400 1 1 5 LEU O O 5.736 -0.272 0.311 1.00 . A A . 5 LEU O 1 1
5 1401 1 1 6 ARG C C 4.044 -0.613 2.858 1.00 . A A . 6 ARG C 1 1
5 1402 1 1 6 ARG CA C 5.299 -1.448 2.757 1.00 . A A . 6 ARG CA 1 1
5 1403 1 1 6 ARG CB C 5.599 -2.189 4.091 1.00 . A A . 6 ARG CB 1 1
5 1404 1 1 6 ARG CD C 5.070 -4.144 5.670 1.00 . A A . 6 ARG CD 1 1
5 1405 1 1 6 ARG CG C 4.735 -3.453 4.342 1.00 . A A . 6 ARG CG 1 1
5 1406 1 1 6 ARG CZ C 3.691 -2.885 7.333 1.00 . A A . 6 ARG CZ 1 1
5 1407 1 1 6 ARG H H 7.254 -0.481 3.048 1.00 . A A . 6 ARG H 1 1
5 1408 1 1 6 ARG HA H 5.142 -2.190 1.953 1.00 . A A . 6 ARG HA 1 1
5 1409 1 1 6 ARG HB2 H 6.675 -2.455 4.131 1.00 . A A . 6 ARG HB2 1 1
5 1410 1 1 6 ARG HB3 H 5.450 -1.492 4.939 1.00 . A A . 6 ARG HB3 1 1
5 1411 1 1 6 ARG HD2 H 4.429 -5.037 5.814 1.00 . A A . 6 ARG HD2 1 1
5 1412 1 1 6 ARG HD3 H 6.122 -4.498 5.665 1.00 . A A . 6 ARG HD3 1 1
5 1413 1 1 6 ARG HE H 5.688 -2.677 7.131 1.00 . A A . 6 ARG HE 1 1
5 1414 1 1 6 ARG HG2 H 3.654 -3.202 4.344 1.00 . A A . 6 ARG HG2 1 1
5 1415 1 1 6 ARG HG3 H 4.862 -4.174 3.509 1.00 . A A . 6 ARG HG3 1 1
5 1416 1 1 6 ARG HH11 H 2.654 -4.105 6.234 1.00 . A A . 6 ARG HH11 1 1
5 1417 1 1 6 ARG HH12 H 1.729 -3.124 7.495 1.00 . A A . 6 ARG HH12 1 1
5 1418 1 1 6 ARG HH21 H 4.622 -1.653 8.471 1.00 . A A . 6 ARG HH21 1 1
5 1419 1 1 6 ARG HH22 H 2.793 -1.789 8.714 1.00 . A A . 6 ARG HH22 1 1
5 1420 1 1 6 ARG N N 6.448 -0.622 2.400 1.00 . A A . 6 ARG N 1 1
5 1421 1 1 6 ARG NE N 4.859 -3.171 6.772 1.00 . A A . 6 ARG NE 1 1
5 1422 1 1 6 ARG NH1 N 2.560 -3.425 6.989 1.00 . A A . 6 ARG NH1 1 1
5 1423 1 1 6 ARG NH2 N 3.686 -2.015 8.280 1.00 . A A . 6 ARG NH2 1 1
5 1424 1 1 6 ARG O O 2.948 -1.026 2.467 1.00 . A A . 6 ARG O 1 1
5 1425 1 1 7 GLN C C 2.650 1.979 2.111 1.00 . A A . 7 GLN C 1 1
5 1426 1 1 7 GLN CA C 3.087 1.535 3.486 1.00 . A A . 7 GLN CA 1 1
5 1427 1 1 7 GLN CB C 3.539 2.742 4.339 1.00 . A A . 7 GLN CB 1 1
5 1428 1 1 7 GLN CD C 3.026 3.345 6.891 1.00 . A A . 7 GLN CD 1 1
5 1429 1 1 7 GLN CG C 3.754 2.467 5.864 1.00 . A A . 7 GLN CG 1 1
5 1430 1 1 7 GLN H H 5.124 0.779 3.824 1.00 . A A . 7 GLN H 1 1
5 1431 1 1 7 GLN HA H 2.225 1.038 3.969 1.00 . A A . 7 GLN HA 1 1
5 1432 1 1 7 GLN HB2 H 4.481 3.145 3.918 1.00 . A A . 7 GLN HB2 1 1
5 1433 1 1 7 GLN HB3 H 2.795 3.556 4.221 1.00 . A A . 7 GLN HB3 1 1
5 1434 1 1 7 GLN HE21 H 2.439 4.609 5.498 1.00 . A A . 7 GLN HE21 1 1
5 1435 1 1 7 GLN HE22 H 1.906 4.929 7.239 1.00 . A A . 7 GLN HE22 1 1
5 1436 1 1 7 GLN HG2 H 3.508 1.414 6.099 1.00 . A A . 7 GLN HG2 1 1
5 1437 1 1 7 GLN HG3 H 4.823 2.563 6.131 1.00 . A A . 7 GLN HG3 1 1
5 1438 1 1 7 GLN N N 4.189 0.580 3.405 1.00 . A A . 7 GLN N 1 1
5 1439 1 1 7 GLN NE2 N 2.421 4.439 6.505 1.00 . A A . 7 GLN NE2 1 1
5 1440 1 1 7 GLN O O 1.467 2.221 1.848 1.00 . A A . 7 GLN O 1 1
5 1441 1 1 7 GLN OE1 O 2.979 3.029 8.069 1.00 . A A . 7 GLN OE1 1 1
5 1442 1 1 8 ARG C C 2.527 1.405 -0.883 1.00 . A A . 8 ARG C 1 1
5 1443 1 1 8 ARG CA C 3.318 2.479 -0.174 1.00 . A A . 8 ARG CA 1 1
5 1444 1 1 8 ARG CB C 4.659 2.769 -0.903 1.00 . A A . 8 ARG CB 1 1
5 1445 1 1 8 ARG CD C 5.738 4.874 -1.902 1.00 . A A . 8 ARG CD 1 1
5 1446 1 1 8 ARG CG C 5.263 4.171 -0.624 1.00 . A A . 8 ARG CG 1 1
5 1447 1 1 8 ARG CZ C 6.990 6.979 -1.399 1.00 . A A . 8 ARG CZ 1 1
5 1448 1 1 8 ARG H H 4.571 1.864 1.526 1.00 . A A . 8 ARG H 1 1
5 1449 1 1 8 ARG HA H 2.698 3.395 -0.158 1.00 . A A . 8 ARG HA 1 1
5 1450 1 1 8 ARG HB2 H 5.411 2.006 -0.621 1.00 . A A . 8 ARG HB2 1 1
5 1451 1 1 8 ARG HB3 H 4.521 2.633 -1.996 1.00 . A A . 8 ARG HB3 1 1
5 1452 1 1 8 ARG HD2 H 6.714 4.463 -2.230 1.00 . A A . 8 ARG HD2 1 1
5 1453 1 1 8 ARG HD3 H 5.019 4.699 -2.728 1.00 . A A . 8 ARG HD3 1 1
5 1454 1 1 8 ARG HE H 4.984 6.875 -1.590 1.00 . A A . 8 ARG HE 1 1
5 1455 1 1 8 ARG HG2 H 4.519 4.810 -0.107 1.00 . A A . 8 ARG HG2 1 1
5 1456 1 1 8 ARG HG3 H 6.121 4.103 0.075 1.00 . A A . 8 ARG HG3 1 1
5 1457 1 1 8 ARG HH11 H 8.138 5.424 -1.596 1.00 . A A . 8 ARG HH11 1 1
5 1458 1 1 8 ARG HH12 H 8.965 7.032 -1.223 1.00 . A A . 8 ARG HH12 1 1
5 1459 1 1 8 ARG HH21 H 5.948 8.575 -1.184 1.00 . A A . 8 ARG HH21 1 1
5 1460 1 1 8 ARG HH22 H 7.780 8.748 -0.997 1.00 . A A . 8 ARG HH22 1 1
5 1461 1 1 8 ARG N N 3.605 2.101 1.208 1.00 . A A . 8 ARG N 1 1
5 1462 1 1 8 ARG NE N 5.856 6.327 -1.619 1.00 . A A . 8 ARG NE 1 1
5 1463 1 1 8 ARG NH1 N 8.167 6.426 -1.405 1.00 . A A . 8 ARG NH1 1 1
5 1464 1 1 8 ARG NH2 N 6.914 8.241 -1.166 1.00 . A A . 8 ARG NH2 1 1
5 1465 1 1 8 ARG O O 1.735 1.674 -1.794 1.00 . A A . 8 ARG O 1 1
5 1466 1 1 9 LEU C C 0.571 -0.948 -0.727 1.00 . A A . 9 LEU C 1 1
5 1467 1 1 9 LEU CA C 2.039 -0.971 -1.082 1.00 . A A . 9 LEU CA 1 1
5 1468 1 1 9 LEU CB C 2.696 -2.308 -0.636 1.00 . A A . 9 LEU CB 1 1
5 1469 1 1 9 LEU CD1 C 1.113 -4.281 -1.110 1.00 . A A . 9 LEU CD1 1 1
5 1470 1 1 9 LEU CD2 C 2.600 -4.307 0.913 1.00 . A A . 9 LEU CD2 1 1
5 1471 1 1 9 LEU CG C 1.786 -3.413 -0.035 1.00 . A A . 9 LEU CG 1 1
5 1472 1 1 9 LEU H H 3.466 0.036 0.251 1.00 . A A . 9 LEU H 1 1
5 1473 1 1 9 LEU HA H 2.093 -0.879 -2.182 1.00 . A A . 9 LEU HA 1 1
5 1474 1 1 9 LEU HB2 H 3.238 -2.743 -1.503 1.00 . A A . 9 LEU HB2 1 1
5 1475 1 1 9 LEU HB3 H 3.495 -2.079 0.099 1.00 . A A . 9 LEU HB3 1 1
5 1476 1 1 9 LEU HD11 H 0.624 -3.655 -1.881 1.00 . A A . 9 LEU HD11 1 1
5 1477 1 1 9 LEU HD12 H 1.842 -4.914 -1.649 1.00 . A A . 9 LEU HD12 1 1
5 1478 1 1 9 LEU HD13 H 0.337 -4.946 -0.688 1.00 . A A . 9 LEU HD13 1 1
5 1479 1 1 9 LEU HD21 H 3.137 -3.714 1.678 1.00 . A A . 9 LEU HD21 1 1
5 1480 1 1 9 LEU HD22 H 1.966 -5.036 1.451 1.00 . A A . 9 LEU HD22 1 1
5 1481 1 1 9 LEU HD23 H 3.370 -4.885 0.368 1.00 . A A . 9 LEU HD23 1 1
5 1482 1 1 9 LEU HG H 0.992 -2.921 0.564 1.00 . A A . 9 LEU HG 1 1
5 1483 1 1 9 LEU N N 2.740 0.164 -0.489 1.00 . A A . 9 LEU N 1 1
5 1484 1 1 9 LEU O O -0.304 -1.247 -1.545 1.00 . A A . 9 LEU O 1 1
5 1485 1 1 10 ALA C C -1.849 0.593 0.287 1.00 . A A . 10 ALA C 1 1
5 1486 1 1 10 ALA CA C -1.095 -0.510 0.991 1.00 . A A . 10 ALA CA 1 1
5 1487 1 1 10 ALA CB C -1.053 -0.315 2.518 1.00 . A A . 10 ALA CB 1 1
5 1488 1 1 10 ALA H H 1.100 -0.472 1.151 1.00 . A A . 10 ALA H 1 1
5 1489 1 1 10 ALA HA H -1.612 -1.460 0.755 1.00 . A A . 10 ALA HA 1 1
5 1490 1 1 10 ALA HB1 H -0.531 -1.152 3.023 1.00 . A A . 10 ALA HB1 1 1
5 1491 1 1 10 ALA HB2 H -0.527 0.614 2.806 1.00 . A A . 10 ALA HB2 1 1
5 1492 1 1 10 ALA HB3 H -2.067 -0.266 2.956 1.00 . A A . 10 ALA HB3 1 1
5 1493 1 1 10 ALA N N 0.283 -0.610 0.516 1.00 . A A . 10 ALA N 1 1
5 1494 1 1 10 ALA O O -3.074 0.536 0.119 1.00 . A A . 10 ALA O 1 1
5 1495 1 1 11 ALA C C -2.276 2.428 -2.139 1.00 . A A . 11 ALA C 1 1
5 1496 1 1 11 ALA CA C -1.760 2.784 -0.765 1.00 . A A . 11 ALA CA 1 1
5 1497 1 1 11 ALA CB C -0.719 3.917 -0.795 1.00 . A A . 11 ALA CB 1 1
5 1498 1 1 11 ALA H H -0.118 1.594 0.091 1.00 . A A . 11 ALA H 1 1
5 1499 1 1 11 ALA HA H -2.631 3.099 -0.160 1.00 . A A . 11 ALA HA 1 1
5 1500 1 1 11 ALA HB1 H -0.381 4.191 0.223 1.00 . A A . 11 ALA HB1 1 1
5 1501 1 1 11 ALA HB2 H 0.184 3.639 -1.372 1.00 . A A . 11 ALA HB2 1 1
5 1502 1 1 11 ALA HB3 H -1.126 4.838 -1.251 1.00 . A A . 11 ALA HB3 1 1
5 1503 1 1 11 ALA N N -1.140 1.629 -0.121 1.00 . A A . 11 ALA N 1 1
5 1504 1 1 11 ALA O O -3.380 2.813 -2.541 1.00 . A A . 11 ALA O 1 1
5 1505 1 1 12 ARG C C -3.050 0.337 -4.183 1.00 . A A . 12 ARG C 1 1
5 1506 1 1 12 ARG CA C -1.860 1.266 -4.234 1.00 . A A . 12 ARG CA 1 1
5 1507 1 1 12 ARG CB C -0.639 0.587 -4.913 1.00 . A A . 12 ARG CB 1 1
5 1508 1 1 12 ARG CD C 0.511 0.124 -7.160 1.00 . A A . 12 ARG CD 1 1
5 1509 1 1 12 ARG CG C -0.288 1.131 -6.323 1.00 . A A . 12 ARG CG 1 1
5 1510 1 1 12 ARG CZ C 1.953 1.730 -8.421 1.00 . A A . 12 ARG CZ 1 1
5 1511 1 1 12 ARG H H -0.575 1.405 -2.454 1.00 . A A . 12 ARG H 1 1
5 1512 1 1 12 ARG HA H -2.158 2.161 -4.812 1.00 . A A . 12 ARG HA 1 1
5 1513 1 1 12 ARG HB2 H 0.255 0.696 -4.268 1.00 . A A . 12 ARG HB2 1 1
5 1514 1 1 12 ARG HB3 H -0.811 -0.508 -4.968 1.00 . A A . 12 ARG HB3 1 1
5 1515 1 1 12 ARG HD2 H 0.686 -0.806 -6.582 1.00 . A A . 12 ARG HD2 1 1
5 1516 1 1 12 ARG HD3 H -0.061 -0.163 -8.067 1.00 . A A . 12 ARG HD3 1 1
5 1517 1 1 12 ARG HE H 2.652 0.394 -7.079 1.00 . A A . 12 ARG HE 1 1
5 1518 1 1 12 ARG HG2 H -1.214 1.410 -6.866 1.00 . A A . 12 ARG HG2 1 1
5 1519 1 1 12 ARG HG3 H 0.300 2.069 -6.253 1.00 . A A . 12 ARG HG3 1 1
5 1520 1 1 12 ARG HH11 H 0.066 1.883 -8.852 1.00 . A A . 12 ARG HH11 1 1
5 1521 1 1 12 ARG HH12 H 1.219 3.025 -9.731 1.00 . A A . 12 ARG HH12 1 1
5 1522 1 1 12 ARG HH21 H 3.837 1.662 -8.065 1.00 . A A . 12 ARG HH21 1 1
5 1523 1 1 12 ARG HH22 H 3.271 2.909 -9.309 1.00 . A A . 12 ARG HH22 1 1
5 1524 1 1 12 ARG N N -1.476 1.697 -2.892 1.00 . A A . 12 ARG N 1 1
5 1525 1 1 12 ARG NE N 1.802 0.751 -7.539 1.00 . A A . 12 ARG NE 1 1
5 1526 1 1 12 ARG NH1 N 0.978 2.280 -9.081 1.00 . A A . 12 ARG NH1 1 1
5 1527 1 1 12 ARG NH2 N 3.147 2.159 -8.632 1.00 . A A . 12 ARG NH2 1 1
5 1528 1 1 12 ARG O O -3.953 0.378 -5.024 1.00 . A A . 12 ARG O 1 1
5 1529 1 1 13 LEU C C -5.404 -0.819 -2.467 1.00 . A A . 13 LEU C 1 1
5 1530 1 1 13 LEU CA C -4.152 -1.482 -2.992 1.00 . A A . 13 LEU CA 1 1
5 1531 1 1 13 LEU CB C -3.700 -2.629 -2.039 1.00 . A A . 13 LEU CB 1 1
5 1532 1 1 13 LEU CD1 C -1.985 -4.515 -1.687 1.00 . A A . 13 LEU CD1 1 1
5 1533 1 1 13 LEU CD2 C -3.986 -4.879 -3.162 1.00 . A A . 13 LEU CD2 1 1
5 1534 1 1 13 LEU CG C -2.966 -3.845 -2.664 1.00 . A A . 13 LEU CG 1 1
5 1535 1 1 13 LEU H H -2.216 -0.534 -2.574 1.00 . A A . 13 LEU H 1 1
5 1536 1 1 13 LEU HA H -4.419 -1.904 -3.977 1.00 . A A . 13 LEU HA 1 1
5 1537 1 1 13 LEU HB2 H -3.049 -2.199 -1.253 1.00 . A A . 13 LEU HB2 1 1
5 1538 1 1 13 LEU HB3 H -4.588 -3.001 -1.494 1.00 . A A . 13 LEU HB3 1 1
5 1539 1 1 13 LEU HD11 H -1.319 -3.769 -1.214 1.00 . A A . 13 LEU HD11 1 1
5 1540 1 1 13 LEU HD12 H -2.510 -5.024 -0.858 1.00 . A A . 13 LEU HD12 1 1
5 1541 1 1 13 LEU HD13 H -1.341 -5.262 -2.186 1.00 . A A . 13 LEU HD13 1 1
5 1542 1 1 13 LEU HD21 H -4.736 -4.425 -3.836 1.00 . A A . 13 LEU HD21 1 1
5 1543 1 1 13 LEU HD22 H -3.507 -5.707 -3.718 1.00 . A A . 13 LEU HD22 1 1
5 1544 1 1 13 LEU HD23 H -4.549 -5.332 -2.324 1.00 . A A . 13 LEU HD23 1 1
5 1545 1 1 13 LEU HG H -2.390 -3.486 -3.542 1.00 . A A . 13 LEU HG 1 1
5 1546 1 1 13 LEU N N -3.060 -0.531 -3.188 1.00 . A A . 13 LEU N 1 1
5 1547 1 1 13 LEU O O -6.512 -1.370 -2.562 1.00 . A A . 13 LEU O 1 1
5 1548 1 1 14 GLU C C -7.357 1.540 -2.373 1.00 . A A . 14 GLU C 1 1
5 1549 1 1 14 GLU CA C -6.400 1.072 -1.303 1.00 . A A . 14 GLU CA 1 1
5 1550 1 1 14 GLU CB C -5.861 2.270 -0.469 1.00 . A A . 14 GLU CB 1 1
5 1551 1 1 14 GLU CD C -6.399 4.247 1.224 1.00 . A A . 14 GLU CD 1 1
5 1552 1 1 14 GLU CG C -6.910 3.133 0.306 1.00 . A A . 14 GLU CG 1 1
5 1553 1 1 14 GLU H H -4.291 0.719 -1.810 1.00 . A A . 14 GLU H 1 1
5 1554 1 1 14 GLU HA H -6.947 0.378 -0.639 1.00 . A A . 14 GLU HA 1 1
5 1555 1 1 14 GLU HB2 H -5.116 1.891 0.256 1.00 . A A . 14 GLU HB2 1 1
5 1556 1 1 14 GLU HB3 H -5.275 2.931 -1.138 1.00 . A A . 14 GLU HB3 1 1
5 1557 1 1 14 GLU HG2 H -7.605 3.607 -0.412 1.00 . A A . 14 GLU HG2 1 1
5 1558 1 1 14 GLU HG3 H -7.558 2.483 0.923 1.00 . A A . 14 GLU HG3 1 1
5 1559 1 1 14 GLU N N -5.266 0.356 -1.884 1.00 . A A . 14 GLU N 1 1
5 1560 1 1 14 GLU O O -8.581 1.443 -2.245 1.00 . A A . 14 GLU O 1 1
5 1561 1 1 14 GLU OE1 O -5.788 4.027 2.262 1.00 . A A . 14 GLU OE1 1 1
5 1562 1 1 14 GLU OE2 O -6.688 5.500 0.777 1.00 . A A . 14 GLU OE2 1 1
5 1563 1 1 15 ALA C C -8.553 1.657 -5.118 1.00 . A A . 15 ALA C 1 1
5 1564 1 1 15 ALA CA C -7.610 2.669 -4.513 1.00 . A A . 15 ALA CA 1 1
5 1565 1 1 15 ALA CB C -6.644 3.274 -5.546 1.00 . A A . 15 ALA CB 1 1
5 1566 1 1 15 ALA H H -5.767 1.993 -3.515 1.00 . A A . 15 ALA H 1 1
5 1567 1 1 15 ALA HA H -8.230 3.474 -4.074 1.00 . A A . 15 ALA HA 1 1
5 1568 1 1 15 ALA HB1 H -5.986 4.042 -5.094 1.00 . A A . 15 ALA HB1 1 1
5 1569 1 1 15 ALA HB2 H -5.983 2.509 -5.998 1.00 . A A . 15 ALA HB2 1 1
5 1570 1 1 15 ALA HB3 H -7.183 3.769 -6.375 1.00 . A A . 15 ALA HB3 1 1
5 1571 1 1 15 ALA N N -6.807 2.071 -3.450 1.00 . A A . 15 ALA N 1 1
5 1572 1 1 15 ALA O O -9.712 1.949 -5.433 1.00 . A A . 15 ALA O 1 1
5 1573 1 1 16 LEU C C -9.776 -1.291 -5.019 1.00 . A A . 16 LEU C 1 1
5 1574 1 1 16 LEU CA C -8.823 -0.608 -5.970 1.00 . A A . 16 LEU CA 1 1
5 1575 1 1 16 LEU CB C -7.861 -1.643 -6.628 1.00 . A A . 16 LEU CB 1 1
5 1576 1 1 16 LEU CD1 C -5.671 -2.016 -7.841 1.00 . A A . 16 LEU CD1 1 1
5 1577 1 1 16 LEU CD2 C -7.645 -1.176 -9.149 1.00 . A A . 16 LEU CD2 1 1
5 1578 1 1 16 LEU CG C -6.942 -1.158 -7.781 1.00 . A A . 16 LEU CG 1 1
5 1579 1 1 16 LEU H H -7.073 0.302 -5.002 1.00 . A A . 16 LEU H 1 1
5 1580 1 1 16 LEU HA H -9.444 -0.147 -6.757 1.00 . A A . 16 LEU HA 1 1
5 1581 1 1 16 LEU HB2 H -7.223 -2.067 -5.829 1.00 . A A . 16 LEU HB2 1 1
5 1582 1 1 16 LEU HB3 H -8.462 -2.498 -6.994 1.00 . A A . 16 LEU HB3 1 1
5 1583 1 1 16 LEU HD11 H -5.114 -1.994 -6.885 1.00 . A A . 16 LEU HD11 1 1
5 1584 1 1 16 LEU HD12 H -5.892 -3.077 -8.065 1.00 . A A . 16 LEU HD12 1 1
5 1585 1 1 16 LEU HD13 H -4.973 -1.657 -8.620 1.00 . A A . 16 LEU HD13 1 1
5 1586 1 1 16 LEU HD21 H -8.045 -2.175 -9.401 1.00 . A A . 16 LEU HD21 1 1
5 1587 1 1 16 LEU HD22 H -8.492 -0.466 -9.173 1.00 . A A . 16 LEU HD22 1 1
5 1588 1 1 16 LEU HD23 H -6.966 -0.870 -9.966 1.00 . A A . 16 LEU HD23 1 1
5 1589 1 1 16 LEU HG H -6.636 -0.113 -7.562 1.00 . A A . 16 LEU HG 1 1
5 1590 1 1 16 LEU N N -8.061 0.448 -5.308 1.00 . A A . 16 LEU N 1 1
5 1591 1 1 16 LEU O O -10.861 -1.749 -5.400 1.00 . A A . 16 LEU O 1 1
5 1592 1 1 17 LYS C C -11.470 -1.462 -2.429 1.00 . A A . 17 LYS C 1 1
5 1593 1 1 17 LYS CA C -10.155 -2.125 -2.763 1.00 . A A . 17 LYS CA 1 1
5 1594 1 1 17 LYS CB C -9.287 -2.305 -1.484 1.00 . A A . 17 LYS CB 1 1
5 1595 1 1 17 LYS CD C -10.910 -3.908 -0.246 1.00 . A A . 17 LYS CD 1 1
5 1596 1 1 17 LYS CE C -11.886 -3.940 0.938 1.00 . A A . 17 LYS CE 1 1
5 1597 1 1 17 LYS CG C -10.109 -2.603 -0.206 1.00 . A A . 17 LYS CG 1 1
5 1598 1 1 17 LYS H H -8.520 -0.857 -3.512 1.00 . A A . 17 LYS H 1 1
5 1599 1 1 17 LYS HA H -10.392 -3.122 -3.188 1.00 . A A . 17 LYS HA 1 1
5 1600 1 1 17 LYS HB2 H -8.564 -3.135 -1.647 1.00 . A A . 17 LYS HB2 1 1
5 1601 1 1 17 LYS HB3 H -8.650 -1.410 -1.323 1.00 . A A . 17 LYS HB3 1 1
5 1602 1 1 17 LYS HD2 H -11.444 -3.989 -1.213 1.00 . A A . 17 LYS HD2 1 1
5 1603 1 1 17 LYS HD3 H -10.219 -4.774 -0.197 1.00 . A A . 17 LYS HD3 1 1
5 1604 1 1 17 LYS HE2 H -11.569 -3.220 1.722 1.00 . A A . 17 LYS HE2 1 1
5 1605 1 1 17 LYS HE3 H -12.902 -3.620 0.628 1.00 . A A . 17 LYS HE3 1 1
5 1606 1 1 17 LYS HG2 H -9.434 -2.682 0.670 1.00 . A A . 17 LYS HG2 1 1
5 1607 1 1 17 LYS HG3 H -10.779 -1.750 0.017 1.00 . A A . 17 LYS HG3 1 1
5 1608 1 1 17 LYS HZ1 H -11.058 -5.793 1.293 1.00 . A A . 17 LYS HZ1 1 1
5 1609 1 1 17 LYS HZ2 H -12.094 -5.261 2.505 1.00 . A A . 17 LYS HZ2 1 1
5 1610 1 1 17 LYS HZ3 H -12.721 -5.820 1.048 1.00 . A A . 17 LYS HZ3 1 1
5 1611 1 1 17 LYS N N -9.385 -1.386 -3.762 1.00 . A A . 17 LYS N 1 1
5 1612 1 1 17 LYS NZ N -11.944 -5.306 1.487 1.00 . A A . 17 LYS NZ 1 1
5 1613 1 1 17 LYS O O -12.347 -2.069 -1.789 1.00 . A A . 17 LYS O 1 1
5 1614 1 1 18 GLU C C -13.982 0.265 -3.463 1.00 . A A . 18 GLU C 1 1
5 1615 1 1 18 GLU CA C -12.856 0.537 -2.496 1.00 . A A . 18 GLU CA 1 1
5 1616 1 1 18 GLU CB C -12.487 2.048 -2.471 1.00 . A A . 18 GLU CB 1 1
5 1617 1 1 18 GLU CD C -14.030 2.506 -0.355 1.00 . A A . 18 GLU CD 1 1
5 1618 1 1 18 GLU CG C -13.435 3.004 -1.675 1.00 . A A . 18 GLU CG 1 1
5 1619 1 1 18 GLU H H -10.924 0.169 -3.471 1.00 . A A . 18 GLU H 1 1
5 1620 1 1 18 GLU HA H -13.186 0.224 -1.489 1.00 . A A . 18 GLU HA 1 1
5 1621 1 1 18 GLU HB2 H -11.455 2.155 -2.081 1.00 . A A . 18 GLU HB2 1 1
5 1622 1 1 18 GLU HB3 H -12.422 2.410 -3.515 1.00 . A A . 18 GLU HB3 1 1
5 1623 1 1 18 GLU HG2 H -12.907 3.949 -1.450 1.00 . A A . 18 GLU HG2 1 1
5 1624 1 1 18 GLU HG3 H -14.285 3.314 -2.312 1.00 . A A . 18 GLU HG3 1 1
5 1625 1 1 18 GLU N N -11.664 -0.229 -2.852 1.00 . A A . 18 GLU N 1 1
5 1626 1 1 18 GLU O O -14.179 0.977 -4.454 1.00 . A A . 18 GLU O 1 1
5 1627 1 1 18 GLU OE1 O -15.070 1.641 -0.515 1.00 . A A . 18 GLU OE1 1 1
5 1628 1 1 18 GLU OE2 O -13.609 2.856 0.739 1.00 . A A . 18 GLU OE2 1 1
5 1629 1 1 19 ASN C C -16.702 -2.234 -3.401 1.00 . A A . 19 ASN C 1 1
5 1630 1 1 19 ASN CA C -15.862 -1.160 -4.051 1.00 . A A . 19 ASN CA 1 1
5 1631 1 1 19 ASN CB C -15.330 -1.639 -5.433 1.00 . A A . 19 ASN CB 1 1
5 1632 1 1 19 ASN CG C -16.367 -1.851 -6.541 1.00 . A A . 19 ASN CG 1 1
5 1633 1 1 19 ASN H H -14.489 -1.321 -2.337 1.00 . A A . 19 ASN H 1 1
5 1634 1 1 19 ASN HA H -16.511 -0.274 -4.184 1.00 . A A . 19 ASN HA 1 1
5 1635 1 1 19 ASN HB2 H -14.597 -0.904 -5.821 1.00 . A A . 19 ASN HB2 1 1
5 1636 1 1 19 ASN HB3 H -14.747 -2.572 -5.320 1.00 . A A . 19 ASN HB3 1 1
5 1637 1 1 19 ASN HD21 H -15.068 -1.301 -7.945 1.00 . A A . 19 ASN HD21 1 1
5 1638 1 1 19 ASN HD22 H -16.768 -1.827 -8.442 1.00 . A A . 19 ASN HD22 1 1
5 1639 1 1 19 ASN N N -14.737 -0.786 -3.199 1.00 . A A . 19 ASN N 1 1
5 1640 1 1 19 ASN ND2 N -16.036 -1.573 -7.773 1.00 . A A . 19 ASN ND2 1 1
5 1641 1 1 19 ASN O O -17.920 -2.104 -3.239 1.00 . A A . 19 ASN O 1 1
5 1642 1 1 19 ASN OD1 O -17.491 -2.271 -6.311 1.00 . A A . 19 ASN OD1 1 1
5 1643 1 1 20 GLY C C -15.885 -5.678 -2.373 1.00 . A A . 20 GLY C 1 1
5 1644 1 1 20 GLY CA C -16.739 -4.433 -2.361 1.00 . A A . 20 GLY CA 1 1
5 1645 1 1 20 GLY H H -15.032 -3.336 -3.210 1.00 . A A . 20 GLY H 1 1
5 1646 1 1 20 GLY HA2 H -16.971 -4.161 -1.315 1.00 . A A . 20 GLY HA2 1 1
5 1647 1 1 20 GLY HA3 H -17.702 -4.647 -2.859 1.00 . A A . 20 GLY HA3 1 1
5 1648 1 1 20 GLY N N -16.060 -3.327 -3.031 1.00 . A A . 20 GLY N 1 1
5 1649 1 1 20 GLY O O -16.384 -6.834 -2.546 1.00 . A A . 20 GLY O 1 1
5 1650 1 1 20 GLY OXT O -14.640 -5.501 -2.200 1.00 . A A . 20 GLY OXT 1 1
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