NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
387829 |
1mqy   |
5582 | cing | 4-filtered-FRED | STAR | entry | full | 167 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1mqy
# This FRED archive file contains, for PDB entry <1mqy>:
#
# - 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_1mqy
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1mqy
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all other bound"
_Assembly.Molecular_mass 1826.19
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 $lantibiotic_Mersacidin A . 1 1
stop_
save_
save_lantibiotic_Mersacidin
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "lantibiotic Mersacidin"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code CXFXLPGGGGVCXLXXECIX
_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 CYS . 1 1
2 ABA $ABA 1 1
3 PHE . 1 1
4 ABA $ABA 1 1
5 LEU . 1 1
6 PRO . 1 1
7 GLY . 1 1
8 GLY . 1 1
9 GLY . 1 1
10 GLY . 1 1
11 VAL . 1 1
12 CYS . 1 1
13 ABA $ABA 1 1
14 LEU . 1 1
15 ABA $ABA 1 1
16 DHA $DHA 1 1
17 GLU . 1 1
18 CYS . 1 1
19 ILE . 1 1
20 TEE $TEE 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
CYS 1 1 1 1
ABA 2 2 1 1
PHE 3 3 1 1
ABA 4 4 1 1
LEU 5 5 1 1
PRO 6 6 1 1
GLY 7 7 1 1
GLY 8 8 1 1
GLY 9 9 1 1
GLY 10 10 1 1
VAL 11 11 1 1
CYS 12 12 1 1
ABA 13 13 1 1
LEU 14 14 1 1
ABA 15 15 1 1
DHA 16 16 1 1
GLU 17 17 1 1
CYS 18 18 1 1
ILE 19 19 1 1
TEE 20 20 1 1
stop_
save_
save_ABA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ABA
_Chem_comp.Type non-polymer
save_
save_TEE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID TEE
_Chem_comp.Type non-polymer
save_
save_DHA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DHA
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 2 . OR 1 1
37 2 . 3 . 1 1
37 3 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
122 1 . . . 1 1
123 1 . . . 1 1
124 1 . . . 1 1
125 1 . . . 1 1
126 1 . . . 1 1
127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
130 1 . . . 1 1
131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
135 1 . . . 1 1
136 1 . . . 1 1
137 1 . . . 1 1
138 1 . . . 1 1
139 1 . . . 1 1
140 1 . . . 1 1
141 1 . . . 1 1
142 1 . . . 1 1
143 1 . . . 1 1
144 1 . . . 1 1
145 1 . . . 1 1
146 1 . . . 1 1
147 1 . . . 1 1
148 1 . . . 1 1
149 1 . . . 1 1
150 1 . . . 1 1
151 1 . . . 1 1
152 1 . . . 1 1
153 1 . . . 1 1
154 1 . . . 1 1
155 1 . . . 1 1
156 1 . . . 1 1
157 1 . . . 1 1
158 1 . . . 1 1
159 1 . . . 1 1
160 1 . . . 1 1
161 1 . . . 1 1
162 1 . . . 1 1
163 1 . . . 1 1
164 1 . . . 1 1
165 1 . . . 1 1
166 1 . . . 1 1
167 1 . . . 1 1
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 2 ABA HA . 2 . HA 1 1
1 1 2 1 1 3 PHE H . 3 . HN 1 1
2 1 1 1 1 2 ABA HA . 2 . HA 1 1
2 1 2 1 1 3 PHE QB . 3 . HB1 1 1
3 1 1 1 1 2 ABA HA . 2 . HA 1 1
3 1 2 1 1 5 LEU H . 5 . HN 1 1
4 1 1 1 1 2 ABA HA . 2 . HA 1 1
4 1 2 1 1 5 LEU MD1 . 5 . HD1% 1 1
5 1 1 1 1 2 ABA HA . 2 . HA 1 1
5 1 2 1 1 5 LEU QD . 5 . HD1% 1 1
6 1 1 1 1 2 ABA HG1 . 2 . HG2% 1 1
6 1 2 1 1 3 PHE H . 3 . HN 1 1
7 1 1 1 1 3 PHE H . 3 . HN 1 1
7 1 2 1 1 3 PHE HA . 3 . HA 1 1
8 1 1 1 1 3 PHE H . 3 . HN 1 1
8 1 2 1 1 3 PHE QB . 3 . HB2 1 1
9 1 1 1 1 3 PHE H . 3 . HN 1 1
9 1 2 1 1 3 PHE QD . 3 . HD% 1 1
10 1 1 1 1 3 PHE HA . 3 . HA 1 1
10 1 2 1 1 3 PHE QB . 3 . HB2 1 1
11 1 1 1 1 3 PHE HA . 3 . HA 1 1
11 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
12 1 1 1 1 3 PHE HA . 3 . HA 1 1
12 1 2 1 1 5 LEU H . 5 . HN 1 1
13 1 1 1 1 3 PHE QB . 3 . HB1 1 1
13 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
14 1 1 1 1 3 PHE QD . 3 . HD% 1 1
14 1 2 1 1 4 ABA HA . 4 . HA 1 1
15 1 1 1 1 3 PHE QD . 3 . HD% 1 1
15 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
16 1 1 1 1 3 PHE QD . 3 . HD% 1 1
16 1 2 1 1 17 GLU HB3 . 17 . HB1 1 1
17 1 1 1 1 3 PHE QD . 3 . HD% 1 1
17 1 2 1 1 17 GLU QG . 17 . HG2 1 1
18 1 1 1 1 3 PHE QE . 3 . HE% 1 1
18 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
19 1 1 1 1 3 PHE HZ . 3 . HZ 1 1
19 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
20 1 1 1 1 4 ABA HA . 4 . HA 1 1
20 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
21 1 1 1 1 4 ABA HA . 4 . HA 1 1
21 1 2 1 1 5 LEU H . 5 . HN 1 1
22 1 1 1 1 4 ABA HA . 4 . HA 1 1
22 1 2 1 1 5 LEU QD . 5 . HD1% 1 1
23 1 1 1 1 4 ABA HG1 . 4 . HG2% 1 1
23 1 2 1 1 5 LEU H . 5 . HN 1 1
24 1 1 1 1 4 ABA HG1 . 4 . HG2% 1 1
24 1 2 1 1 12 CYS QB . 12 . HB1 1 1
25 1 1 1 1 5 LEU H . 5 . HN 1 1
25 1 2 1 1 5 LEU HA . 5 . HA 1 1
26 1 1 1 1 5 LEU H . 5 . HN 1 1
26 1 2 1 1 5 LEU QB . 5 . HB2 1 1
27 1 1 1 1 5 LEU H . 5 . HN 1 1
27 1 2 1 1 5 LEU QD . 5 . HD1% 1 1
28 1 1 1 1 5 LEU H . 5 . HN 1 1
28 1 2 1 1 5 LEU HG . 5 . HG 1 1
29 1 1 1 1 5 LEU H . 5 . HN 1 1
29 1 2 1 1 6 PRO HD2 . 6 . HD2 1 1
30 1 1 1 1 5 LEU H . 5 . HN 1 1
30 1 2 1 1 6 PRO HD3 . 6 . HD1 1 1
31 1 1 1 1 5 LEU H . 5 . HN 1 1
31 1 2 1 1 12 CYS QB . 12 . HB2 1 1
32 1 1 1 1 5 LEU HA . 5 . HA 1 1
32 1 2 1 1 5 LEU HG . 5 . HG 1 1
33 1 1 1 1 5 LEU HA . 5 . HA 1 1
33 1 2 1 1 6 PRO HD2 . 6 . HD2 1 1
34 1 1 1 1 5 LEU HA . 5 . HA 1 1
34 1 2 1 1 6 PRO HD3 . 6 . HD1 1 1
35 1 1 1 1 5 LEU HA . 5 . HA 1 1
35 1 2 1 1 6 PRO HG2 . 6 . HG2 1 1
36 1 1 1 1 5 LEU HA . 5 . HA 1 1
36 1 2 1 1 6 PRO HG3 . 6 . HG1 1 1
37 2 1 1 1 5 LEU HB2 . 5 . HB2 1 1
37 2 2 1 1 5 LEU MD1 . 5 . HD1% 1 1
37 3 1 1 1 5 LEU QB . 5 . HB2 1 1
37 3 2 1 1 5 LEU MD2 . 5 . HD2% 1 1
38 1 1 1 1 5 LEU QB . 5 . HB2 1 1
38 1 2 1 1 6 PRO HD2 . 6 . HD2 1 1
39 1 1 1 1 5 LEU QD . 5 . HD1% 1 1
39 1 2 1 1 6 PRO HD2 . 6 . HD2 1 1
40 1 1 1 1 5 LEU QD . 5 . HD1% 1 1
40 1 2 1 1 6 PRO HD3 . 6 . HD1 1 1
41 1 1 1 1 5 LEU HG . 5 . HG 1 1
41 1 2 1 1 6 PRO HD2 . 6 . HD2 1 1
42 1 1 1 1 5 LEU HG . 5 . HG 1 1
42 1 2 1 1 6 PRO HD3 . 6 . HD1 1 1
43 1 1 1 1 6 PRO HA . 6 . HA 1 1
43 1 2 1 1 6 PRO HB2 . 6 . HB2 1 1
44 1 1 1 1 6 PRO HA . 6 . HA 1 1
44 1 2 1 1 6 PRO HD2 . 6 . HD2 1 1
45 1 1 1 1 6 PRO HA . 6 . HA 1 1
45 1 2 1 1 6 PRO HD3 . 6 . HD1 1 1
46 1 1 1 1 6 PRO HA . 6 . HA 1 1
46 1 2 1 1 6 PRO HG2 . 6 . HG2 1 1
47 1 1 1 1 6 PRO HA . 6 . HA 1 1
47 1 2 1 1 6 PRO HG3 . 6 . HG1 1 1
48 1 1 1 1 6 PRO HA . 6 . HA 1 1
48 1 2 1 1 7 GLY H . 7 . HN 1 1
49 1 1 1 1 6 PRO HA . 6 . HA 1 1
49 1 2 1 1 7 GLY HA2 . 7 . HA2 1 1
50 1 1 1 1 6 PRO HA . 6 . HA 1 1
50 1 2 1 1 7 GLY HA3 . 7 . HA1 1 1
51 1 1 1 1 6 PRO HA . 6 . HA 1 1
51 1 2 1 1 10 GLY HA2 . 10 . HA2 1 1
52 1 1 1 1 6 PRO HA . 6 . HA 1 1
52 1 2 1 1 10 GLY HA3 . 10 . HA1 1 1
53 1 1 1 1 6 PRO HB2 . 6 . HB2 1 1
53 1 2 1 1 6 PRO HD2 . 6 . HD2 1 1
54 1 1 1 1 6 PRO HB2 . 6 . HB2 1 1
54 1 2 1 1 6 PRO HD3 . 6 . HD1 1 1
55 1 1 1 1 6 PRO HB2 . 6 . HB2 1 1
55 1 2 1 1 6 PRO HG2 . 6 . HG2 1 1
56 1 1 1 1 6 PRO HB2 . 6 . HB2 1 1
56 1 2 1 1 6 PRO HG3 . 6 . HG1 1 1
57 1 1 1 1 6 PRO HB2 . 6 . HB2 1 1
57 1 2 1 1 7 GLY H . 7 . HN 1 1
58 1 1 1 1 6 PRO HB3 . 6 . HB1 1 1
58 1 2 1 1 7 GLY H . 7 . HN 1 1
59 1 1 1 1 6 PRO HB3 . 6 . HB1 1 1
59 1 2 1 1 9 GLY H . 9 . HN 1 1
60 1 1 1 1 6 PRO HB3 . 6 . HB1 1 1
60 1 2 1 1 10 GLY H . 10 . HN 1 1
61 1 1 1 1 6 PRO HD2 . 6 . HD2 1 1
61 1 2 1 1 6 PRO HG2 . 6 . HG2 1 1
62 1 1 1 1 6 PRO HD2 . 6 . HD2 1 1
62 1 2 1 1 6 PRO HG3 . 6 . HG1 1 1
63 1 1 1 1 6 PRO HD2 . 6 . HD2 1 1
63 1 2 1 1 7 GLY H . 7 . HN 1 1
64 1 1 1 1 6 PRO HD2 . 6 . HD2 1 1
64 1 2 1 1 11 VAL HA . 11 . HA 1 1
65 1 1 1 1 6 PRO HD2 . 6 . HD2 1 1
65 1 2 1 1 12 CYS H . 12 . HN 1 1
66 1 1 1 1 6 PRO HD2 . 6 . HD2 1 1
66 1 2 1 1 12 CYS HA . 12 . HA 1 1
67 1 1 1 1 6 PRO HD2 . 6 . HD2 1 1
67 1 2 1 1 12 CYS QB . 12 . HB1 1 1
68 1 1 1 1 6 PRO HD3 . 6 . HD1 1 1
68 1 2 1 1 6 PRO HG2 . 6 . HG2 1 1
69 1 1 1 1 6 PRO HD3 . 6 . HD1 1 1
69 1 2 1 1 6 PRO HG3 . 6 . HG1 1 1
70 1 1 1 1 6 PRO HD3 . 6 . HD1 1 1
70 1 2 1 1 11 VAL HA . 11 . HA 1 1
71 1 1 1 1 6 PRO HD3 . 6 . HD1 1 1
71 1 2 1 1 12 CYS H . 12 . HN 1 1
72 1 1 1 1 6 PRO HD3 . 6 . HD1 1 1
72 1 2 1 1 12 CYS QB . 12 . HB2 1 1
73 1 1 1 1 6 PRO HG2 . 6 . HG2 1 1
73 1 2 1 1 12 CYS H . 12 . HN 1 1
74 1 1 1 1 6 PRO HG2 . 6 . HG2 1 1
74 1 2 1 1 12 CYS HA . 12 . HA 1 1
75 1 1 1 1 6 PRO HG2 . 6 . HG2 1 1
75 1 2 1 1 12 CYS QB . 12 . HB2 1 1
76 1 1 1 1 6 PRO HG3 . 6 . HG1 1 1
76 1 2 1 1 12 CYS H . 12 . HN 1 1
77 1 1 1 1 6 PRO HG3 . 6 . HG1 1 1
77 1 2 1 1 12 CYS HA . 12 . HA 1 1
78 1 1 1 1 6 PRO HG3 . 6 . HG1 1 1
78 1 2 1 1 12 CYS QB . 12 . HB2 1 1
79 1 1 1 1 8 GLY H . 8 . HN 1 1
79 1 2 1 1 8 GLY HA2 . 8 . HA2 1 1
80 1 1 1 1 8 GLY H . 8 . HN 1 1
80 1 2 1 1 9 GLY H . 9 . HN 1 1
81 1 1 1 1 8 GLY H . 8 . HN 1 1
81 1 2 1 1 10 GLY H . 10 . HN 1 1
82 1 1 1 1 8 GLY HA3 . 8 . HA1 1 1
82 1 2 1 1 9 GLY H . 9 . HN 1 1
83 1 1 1 1 9 GLY H . 9 . HN 1 1
83 1 2 1 1 9 GLY HA2 . 9 . HA2 1 1
84 1 1 1 1 9 GLY H . 9 . HN 1 1
84 1 2 1 1 10 GLY H . 10 . HN 1 1
85 1 1 1 1 9 GLY HA2 . 9 . HA2 1 1
85 1 2 1 1 10 GLY H . 10 . HN 1 1
86 1 1 1 1 9 GLY HA3 . 9 . HA1 1 1
86 1 2 1 1 10 GLY H . 10 . HN 1 1
87 1 1 1 1 10 GLY H . 10 . HN 1 1
87 1 2 1 1 10 GLY HA2 . 10 . HA2 1 1
88 1 1 1 1 10 GLY H . 10 . HN 1 1
88 1 2 1 1 10 GLY HA3 . 10 . HA1 1 1
89 1 1 1 1 10 GLY H . 10 . HN 1 1
89 1 2 1 1 11 VAL H . 11 . HN 1 1
90 1 1 1 1 10 GLY H . 10 . HN 1 1
90 1 2 1 1 11 VAL HA . 11 . HA 1 1
91 1 1 1 1 10 GLY HA2 . 10 . HA2 1 1
91 1 2 1 1 11 VAL H . 11 . HN 1 1
92 1 1 1 1 10 GLY HA2 . 10 . HA2 1 1
92 1 2 1 1 11 VAL MG2 . 11 . HG1% 1 1
93 1 1 1 1 10 GLY HA3 . 10 . HA1 1 1
93 1 2 1 1 11 VAL H . 11 . HN 1 1
94 1 1 1 1 10 GLY HA3 . 10 . HA1 1 1
94 1 2 1 1 11 VAL QG . 11 . HG1% 1 1
95 1 1 1 1 11 VAL H . 11 . HN 1 1
95 1 2 1 1 11 VAL HA . 11 . HA 1 1
96 1 1 1 1 11 VAL H . 11 . HN 1 1
96 1 2 1 1 11 VAL HB . 11 . HB 1 1
97 1 1 1 1 11 VAL H . 11 . HN 1 1
97 1 2 1 1 11 VAL MG2 . 11 . HG1% 1 1
98 1 1 1 1 11 VAL H . 11 . HN 1 1
98 1 2 1 1 12 CYS H . 12 . HN 1 1
99 1 1 1 1 11 VAL H . 11 . HN 1 1
99 1 2 1 1 12 CYS HA . 12 . HA 1 1
100 1 1 1 1 11 VAL H . 11 . HN 1 1
100 1 2 1 1 14 LEU QB . 14 . HB2 1 1
101 1 1 1 1 11 VAL HA . 11 . HA 1 1
101 1 2 1 1 11 VAL HB . 11 . HB 1 1
102 1 1 1 1 11 VAL HA . 11 . HA 1 1
102 1 2 1 1 11 VAL QG . 11 . HG1% 1 1
103 1 1 1 1 11 VAL HA . 11 . HA 1 1
103 1 2 1 1 12 CYS H . 12 . HN 1 1
104 1 1 1 1 11 VAL HA . 11 . HA 1 1
104 1 2 1 1 12 CYS QB . 12 . HB1 1 1
105 1 1 1 1 11 VAL HA . 11 . HA 1 1
105 1 2 1 1 14 LEU QB . 14 . HB1 1 1
106 1 1 1 1 11 VAL HB . 11 . HB 1 1
106 1 2 1 1 12 CYS H . 12 . HN 1 1
107 1 1 1 1 11 VAL HB . 11 . HB 1 1
107 1 2 1 1 14 LEU QB . 14 . HB2 1 1
108 1 1 1 1 11 VAL QG . 11 . HG1% 1 1
108 1 2 1 1 12 CYS HA . 12 . HA 1 1
109 1 1 1 1 11 VAL MG1 . 11 . HG2% 1 1
109 1 2 1 1 12 CYS H . 12 . HN 1 1
110 1 1 1 1 11 VAL MG1 . 11 . HG2% 1 1
110 1 2 1 1 12 CYS QB . 12 . HB1 1 1
111 1 1 1 1 12 CYS H . 12 . HN 1 1
111 1 2 1 1 12 CYS HA . 12 . HA 1 1
112 1 1 1 1 12 CYS H . 12 . HN 1 1
112 1 2 1 1 12 CYS QB . 12 . HB1 1 1
113 1 1 1 1 12 CYS HA . 12 . HA 1 1
113 1 2 1 1 12 CYS QB . 12 . HB2 1 1
114 1 1 1 1 12 CYS QB . 12 . HB1 1 1
114 1 2 1 1 14 LEU HG . 14 . HG 1 1
115 1 1 1 1 13 ABA HA . 13 . HA 1 1
115 1 2 1 1 14 LEU QD . 14 . HD1% 1 1
116 1 1 1 1 13 ABA HA . 13 . HA 1 1
116 1 2 1 1 18 CYS HB2 . 18 . HB2 1 1
117 1 1 1 1 13 ABA HA . 13 . HA 1 1
117 1 2 1 1 18 CYS HB3 . 18 . HB1 1 1
118 1 1 1 1 14 LEU H . 14 . HN 1 1
118 1 2 1 1 14 LEU HA . 14 . HA 1 1
119 1 1 1 1 14 LEU H . 14 . HN 1 1
119 1 2 1 1 14 LEU QB . 14 . HB2 1 1
120 1 1 1 1 14 LEU H . 14 . HN 1 1
120 1 2 1 1 14 LEU QD . 14 . HD1% 1 1
121 1 1 1 1 14 LEU H . 14 . HN 1 1
121 1 2 1 1 14 LEU HG . 14 . HG 1 1
122 1 1 1 1 14 LEU H . 14 . HN 1 1
122 1 2 1 1 17 GLU QG . 17 . HG2 1 1
123 1 1 1 1 14 LEU HA . 14 . HA 1 1
123 1 2 1 1 14 LEU QB . 14 . HB1 1 1
124 1 1 1 1 14 LEU HA . 14 . HA 1 1
124 1 2 1 1 14 LEU MD2 . 14 . HD2% 1 1
125 1 1 1 1 14 LEU HA . 14 . HA 1 1
125 1 2 1 1 15 ABA HG1 . 15 . HG2% 1 1
126 1 1 1 1 14 LEU HA . 14 . HA 1 1
126 1 2 1 1 18 CYS HB2 . 18 . HB2 1 1
127 1 1 1 1 14 LEU HA . 14 . HA 1 1
127 1 2 1 1 18 CYS HB3 . 18 . HB1 1 1
128 1 1 1 1 14 LEU QB . 14 . HB2 1 1
128 1 2 1 1 14 LEU MD1 . 14 . HD1% 1 1
129 1 1 1 1 14 LEU QB . 14 . HB1 1 1
129 1 2 1 1 14 LEU MD2 . 14 . HD2% 1 1
130 1 1 1 1 14 LEU QB . 14 . HB2 1 1
130 1 2 1 1 15 ABA HG1 . 15 . HG2% 1 1
131 1 1 1 1 15 ABA HA . 15 . HA 1 1
131 1 2 1 1 17 GLU H . 17 . HN 1 1
132 1 1 1 1 15 ABA HG1 . 15 . HG2% 1 1
132 1 2 1 1 20 TEE HA . 20 . HA 1 1
133 1 1 1 1 17 GLU H . 17 . HN 1 1
133 1 2 1 1 17 GLU HA . 17 . HA 1 1
134 1 1 1 1 17 GLU H . 17 . HN 1 1
134 1 2 1 1 17 GLU HB2 . 17 . HB2 1 1
135 1 1 1 1 17 GLU H . 17 . HN 1 1
135 1 2 1 1 17 GLU HB3 . 17 . HB1 1 1
136 1 1 1 1 17 GLU H . 17 . HN 1 1
136 1 2 1 1 17 GLU QG . 17 . HG2 1 1
137 1 1 1 1 17 GLU H . 17 . HN 1 1
137 1 2 1 1 18 CYS H . 18 . HN 1 1
138 1 1 1 1 17 GLU HA . 17 . HA 1 1
138 1 2 1 1 17 GLU HB2 . 17 . HB2 1 1
139 1 1 1 1 17 GLU HA . 17 . HA 1 1
139 1 2 1 1 17 GLU HB3 . 17 . HB1 1 1
140 1 1 1 1 17 GLU HA . 17 . HA 1 1
140 1 2 1 1 18 CYS H . 18 . HN 1 1
141 1 1 1 1 17 GLU HB2 . 17 . HB2 1 1
141 1 2 1 1 17 GLU QG . 17 . HG2 1 1
142 1 1 1 1 17 GLU HB2 . 17 . HB2 1 1
142 1 2 1 1 18 CYS H . 18 . HN 1 1
143 1 1 1 1 17 GLU HB3 . 17 . HB1 1 1
143 1 2 1 1 18 CYS H . 18 . HN 1 1
144 1 1 1 1 17 GLU QG . 17 . HG2 1 1
144 1 2 1 1 18 CYS H . 18 . HN 1 1
145 1 1 1 1 18 CYS H . 18 . HN 1 1
145 1 2 1 1 18 CYS HA . 18 . HA 1 1
146 1 1 1 1 18 CYS H . 18 . HN 1 1
146 1 2 1 1 18 CYS HB2 . 18 . HB2 1 1
147 1 1 1 1 18 CYS H . 18 . HN 1 1
147 1 2 1 1 18 CYS HB3 . 18 . HB1 1 1
148 1 1 1 1 18 CYS HA . 18 . HA 1 1
148 1 2 1 1 18 CYS HB2 . 18 . HB2 1 1
149 1 1 1 1 18 CYS HA . 18 . HA 1 1
149 1 2 1 1 18 CYS HB3 . 18 . HB1 1 1
150 1 1 1 1 18 CYS HA . 18 . HA 1 1
150 1 2 1 1 19 ILE H . 19 . HN 1 1
151 1 1 1 1 18 CYS HA . 18 . HA 1 1
151 1 2 1 1 19 ILE HA . 19 . HA 1 1
152 1 1 1 1 18 CYS HA . 18 . HA 1 1
152 1 2 1 1 19 ILE HG13 . 19 . HG11 1 1
153 1 1 1 1 18 CYS HB2 . 18 . HB2 1 1
153 1 2 1 1 19 ILE H . 19 . HN 1 1
154 1 1 1 1 18 CYS HB2 . 18 . HB2 1 1
154 1 2 1 1 19 ILE HB . 19 . HB 1 1
155 1 1 1 1 18 CYS HB3 . 18 . HB1 1 1
155 1 2 1 1 19 ILE H . 19 . HN 1 1
156 1 1 1 1 18 CYS HB3 . 18 . HB1 1 1
156 1 2 1 1 19 ILE HB . 19 . HB 1 1
157 1 1 1 1 18 CYS HB3 . 18 . HB1 1 1
157 1 2 1 1 19 ILE HG12 . 19 . HG12 1 1
158 1 1 1 1 18 CYS HB3 . 18 . HB1 1 1
158 1 2 1 1 19 ILE HG13 . 19 . HG11 1 1
159 1 1 1 1 18 CYS HB3 . 18 . HB1 1 1
159 1 2 1 1 19 ILE MG . 19 . HG2% 1 1
160 1 1 1 1 19 ILE H . 19 . HN 1 1
160 1 2 1 1 19 ILE HA . 19 . HA 1 1
161 1 1 1 1 19 ILE H . 19 . HN 1 1
161 1 2 1 1 19 ILE HB . 19 . HB 1 1
162 1 1 1 1 19 ILE H . 19 . HN 1 1
162 1 2 1 1 19 ILE QG . 19 . HG12 1 1
162 1 2 1 1 19 ILE MG . 19 . HG2% 1 1
163 1 1 1 1 19 ILE HA . 19 . HA 1 1
163 1 2 1 1 19 ILE HB . 19 . HB 1 1
164 1 1 1 1 19 ILE HA . 19 . HA 1 1
164 1 2 1 1 19 ILE HG12 . 19 . HG12 1 1
165 1 1 1 1 19 ILE HA . 19 . HA 1 1
165 1 2 1 1 19 ILE HG13 . 19 . HG11 1 1
166 1 1 1 1 19 ILE HA . 19 . HA 1 1
166 1 2 1 1 20 TEE HA . 20 . HA 1 1
167 1 1 1 1 19 ILE MG . 19 . HG2% 1 1
167 1 2 1 1 20 TEE HA . 20 . HA 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.2 1.6 2.8 1 1
2 1 . . . . . 3.9 2.0 5.8 1 1
3 1 . . . . . 4.1 2.0 6.0 1 1
4 1 . . . . . 3.2 1.9 4.5 1 1
5 1 . . . . . 3.4 2.0 4.8 1 1
6 1 . . . . . 3.1 1.9 4.3 1 1
7 1 . . . . . 2.7 1.8 3.6 1 1
8 1 . . . . . 2.5 1.7 3.0 1 1
9 1 . . . . . 3.4 2.0 4.8 1 1
10 1 . . . . . 2.4 1.7 3.1 1 1
11 1 . . . . . 3.7 2.0 5.4 1 1
12 1 . . . . . 3.1 1.9 4.3 1 1
13 1 . . . . . 3.8 2.0 5.1 1 1
14 1 . . . . . 3.8 2.0 5.6 1 1
15 1 . . . . . 2.8 1.8 3.8 1 1
16 1 . . . . . 3.8 2.0 5.6 1 1
17 1 . . . . . 3.8 2.0 5.6 1 1
18 1 . . . . . 3.0 1.9 4.1 1 1
19 1 . . . . . 3.1 1.9 4.3 1 1
20 1 . . . . . 2.2 1.6 2.8 1 1
21 1 . . . . . 2.6 1.8 3.4 1 1
22 1 . . . . . 3.4 2.0 4.8 1 1
23 1 . . . . . 3.4 2.0 4.8 1 1
24 1 . . . . . 2.9 1.8 3.8 1 1
25 1 . . . . . 2.9 1.8 4.0 1 1
26 1 . . . . . 2.7 1.8 3.6 1 1
27 1 . . . . . 3.2 1.9 4.5 1 1
28 1 . . . . . 2.6 1.8 3.4 1 1
29 1 . . . . . 3.4 1.9 4.9 1 1
30 1 . . . . . 3.8 2.0 5.6 1 1
31 1 . . . . . 3.9 2.0 5.8 1 1
32 1 . . . . . 3.0 1.9 4.1 1 1
33 1 . . . . . 2.4 1.7 3.1 1 1
34 1 . . . . . 2.4 1.7 3.1 1 1
35 1 . . . . . 3.7 2.0 5.4 1 1
36 1 . . . . . 4.3 2.0 6.0 1 1
37 2 . . . . . 2.0 1.5 2.5 1 1
37 3 . . . . . 2.0 1.5 2.5 1 1
38 1 . . . . . 3.2 1.9 4.5 1 1
39 1 . . . . . 2.8 1.8 3.8 1 1
40 1 . . . . . 2.7 1.8 3.6 1 1
41 1 . . . . . 3.7 2.0 5.4 1 1
42 1 . . . . . 3.2 1.9 4.5 1 1
43 1 . . . . . 2.3 1.7 2.9 1 1
44 1 . . . . . 3.6 2.0 5.2 1 1
45 1 . . . . . 3.9 2.0 5.8 1 1
46 1 . . . . . 3.0 1.9 4.1 1 1
47 1 . . . . . 3.1 1.9 4.3 1 1
48 1 . . . . . 2.2 1.6 2.8 1 1
49 1 . . . . . 3.8 2.0 5.6 1 1
50 1 . . . . . 4.3 2.0 6.0 1 1
51 1 . . . . . 3.8 2.0 5.6 1 1
52 1 . . . . . 3.8 2.0 5.6 1 1
53 1 . . . . . 3.2 1.9 4.5 1 1
54 1 . . . . . 3.2 1.9 4.5 1 1
55 1 . . . . . 2.5 1.7 3.3 1 1
56 1 . . . . . 2.6 1.7 3.5 1 1
57 1 . . . . . 3.3 1.9 4.7 1 1
58 1 . . . . . 3.0 1.8 4.2 1 1
59 1 . . . . . 4.2 2.0 6.0 1 1
60 1 . . . . . 3.9 2.0 5.8 1 1
61 1 . . . . . 2.5 1.7 3.3 1 1
62 1 . . . . . 2.6 1.8 3.4 1 1
63 1 . . . . . 3.6 2.0 5.2 1 1
64 1 . . . . . 3.3 1.9 4.7 1 1
65 1 . . . . . 3.6 2.0 5.2 1 1
66 1 . . . . . 3.4 2.0 4.8 1 1
67 1 . . . . . 3.9 2.0 5.8 1 1
68 1 . . . . . 2.7 1.8 3.6 1 1
69 1 . . . . . 2.9 1.8 4.0 1 1
70 1 . . . . . 3.4 1.9 4.9 1 1
71 1 . . . . . 3.5 2.0 5.0 1 1
72 1 . . . . . 3.1 1.9 4.3 1 1
73 1 . . . . . 3.6 2.0 5.2 1 1
74 1 . . . . . 3.9 2.0 5.8 1 1
75 1 . . . . . 3.6 2.0 5.2 1 1
76 1 . . . . . 3.8 2.0 5.6 1 1
77 1 . . . . . 3.5 1.9 5.1 1 1
78 1 . . . . . 3.9 2.0 5.8 1 1
79 1 . . . . . 2.5 1.7 3.3 1 1
80 1 . . . . . 2.9 1.8 4.0 1 1
81 1 . . . . . 3.5 2.0 5.0 1 1
82 1 . . . . . 2.9 1.9 3.9 1 1
83 1 . . . . . 2.6 1.8 3.4 1 1
84 1 . . . . . 2.6 1.7 3.5 1 1
85 1 . . . . . 2.9 1.9 3.9 1 1
86 1 . . . . . 2.8 1.8 3.8 1 1
87 1 . . . . . 2.4 1.7 3.1 1 1
88 1 . . . . . 2.5 1.7 3.3 1 1
89 1 . . . . . 3.5 2.0 5.0 1 1
90 1 . . . . . 3.3 1.9 4.7 1 1
91 1 . . . . . 2.3 1.6 3.0 1 1
92 1 . . . . . 3.4 2.0 4.8 1 1
93 1 . . . . . 2.4 1.7 3.1 1 1
94 1 . . . . . 3.3 1.9 4.7 1 1
95 1 . . . . . 2.8 1.8 3.8 1 1
96 1 . . . . . 2.6 1.7 3.5 1 1
97 1 . . . . . 2.8 1.8 3.8 1 1
98 1 . . . . . 3.3 2.0 4.6 1 1
99 1 . . . . . 3.6 2.0 5.2 1 1
100 1 . . . . . 3.7 2.0 5.4 1 1
101 1 . . . . . 2.5 1.7 3.3 1 1
102 1 . . . . . 2.1 1.5 2.7 1 1
103 1 . . . . . 2.1 1.5 2.7 1 1
104 1 . . . . . 3.5 2.0 5.0 1 1
105 1 . . . . . 4.0 2.0 6.0 1 1
106 1 . . . . . 2.9 1.8 4.0 1 1
107 1 . . . . . 2.8 1.8 3.8 1 1
108 1 . . . . . 3.5 2.0 5.0 1 1
109 1 . . . . . 2.6 1.7 3.5 1 1
110 1 . . . . . 3.8 2.0 5.6 1 1
111 1 . . . . . 2.7 1.8 3.6 1 1
112 1 . . . . . 2.6 1.8 3.1 1 1
113 1 . . . . . 2.4 1.7 3.1 1 1
114 1 . . . . . 3.2 1.9 4.5 1 1
115 1 . . . . . 3.3 2.0 4.6 1 1
116 1 . . . . . 3.4 1.9 4.9 1 1
117 1 . . . . . 3.1 1.9 4.3 1 1
118 1 . . . . . 2.8 1.9 3.7 1 1
119 1 . . . . . 2.8 1.8 3.8 1 1
120 1 . . . . . 2.9 1.8 4.0 1 1
121 1 . . . . . 3.5 2.5 4.5 1 1
122 1 . . . . . 3.9 2.0 5.8 1 1
123 1 . . . . . 2.5 1.8 3.3 1 1
124 1 . . . . . 2.5 1.7 3.3 1 1
125 1 . . . . . 3.1 1.9 4.3 1 1
126 1 . . . . . 3.4 1.9 4.9 1 1
127 1 . . . . . 4.1 2.0 6.0 1 1
128 1 . . . . . 2.3 1.6 2.6 1 1
129 1 . . . . . 2.1 1.6 2.6 1 1
130 1 . . . . . 2.9 1.8 4.0 1 1
131 1 . . . . . 3.5 2.0 5.0 1 1
132 1 . . . . . 3.5 1.9 5.1 1 1
133 1 . . . . . 2.7 1.8 3.6 1 1
134 1 . . . . . 2.6 1.7 3.5 1 1
135 1 . . . . . 2.9 1.8 4.0 1 1
136 1 . . . . . 2.6 1.7 3.5 1 1
137 1 . . . . . 2.6 1.8 3.4 1 1
138 1 . . . . . 2.5 1.7 3.3 1 1
139 1 . . . . . 2.5 1.7 3.3 1 1
140 1 . . . . . 3.1 1.9 4.3 1 1
141 1 . . . . . 2.4 1.7 3.1 1 1
142 1 . . . . . 3.6 2.0 5.2 1 1
143 1 . . . . . 3.7 2.0 5.4 1 1
144 1 . . . . . 3.3 1.9 4.7 1 1
145 1 . . . . . 2.9 1.9 3.9 1 1
146 1 . . . . . 2.6 1.7 3.5 1 1
147 1 . . . . . 2.9 1.8 4.0 1 1
148 1 . . . . . 2.8 1.8 3.8 1 1
149 1 . . . . . 2.4 1.7 3.1 1 1
150 1 . . . . . 2.8 1.8 3.8 1 1
151 1 . . . . . 3.6 2.0 5.2 1 1
152 1 . . . . . 4.2 2.0 6.0 1 1
153 1 . . . . . 2.3 1.6 3.0 1 1
154 1 . . . . . 3.9 2.0 5.8 1 1
155 1 . . . . . 2.4 1.7 3.1 1 1
156 1 . . . . . 4.1 2.0 6.0 1 1
157 1 . . . . . 3.7 2.0 5.4 1 1
158 1 . . . . . 3.4 2.0 4.8 1 1
159 1 . . . . . 4.2 2.0 6.0 1 1
160 1 . . . . . 2.4 1.7 3.1 1 1
161 1 . . . . . 2.5 1.7 3.3 1 1
162 1 . . . . . 2.9 1.9 3.9 1 1
163 1 . . . . . 2.8 1.8 3.8 1 1
164 1 . . . . . 2.8 1.8 3.8 1 1
165 1 . . . . . 2.9 1.8 4.0 1 1
166 1 . . . . . 3.6 2.0 5.2 1 1
167 1 . . . . . 3.2 1.9 4.5 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 CYS C C -2.540 1.665 2.724 1.00 . A A . 1 CYS C 1 1
1 2 1 1 1 CYS CA C -1.380 0.975 3.431 1.00 . A A . 1 CYS CA 1 1
1 3 1 1 1 CYS CB C -1.631 0.901 4.936 1.00 . A A . 1 CYS CB 1 1
1 4 1 1 1 CYS H1 H -0.309 2.710 3.036 1.00 . A A . 1 CYS H1 1 1
1 5 1 1 1 CYS H2 H 0.363 1.311 2.343 1.00 . A A . 1 CYS H2 1 1
1 6 1 1 1 CYS H3 H 0.519 1.597 4.009 1.00 . A A . 1 CYS H3 1 1
1 7 1 1 1 CYS HA H -1.278 -0.027 3.038 1.00 . A A . 1 CYS HA 1 1
1 8 1 1 1 CYS HB2 H -0.859 0.299 5.391 1.00 . A A . 1 CYS HB2 1 1
1 9 1 1 1 CYS HB3 H -1.586 1.899 5.347 1.00 . A A . 1 CYS HB3 1 1
1 10 1 1 1 CYS N N -0.115 1.698 3.189 1.00 . A A . 1 CYS N 1 1
1 11 1 1 1 CYS O O -2.498 2.879 2.511 1.00 . A A . 1 CYS O 1 1
1 12 1 1 1 CYS SG S -3.228 0.189 5.362 1.00 . A A . 1 CYS SG 1 1
1 13 1 1 2 ABA C C -2.560 -1.287 1.649 1.00 . A A . 2 ABA C 1 1
1 14 1 1 2 ABA CA C -3.611 -0.556 2.488 1.00 . A A . 2 ABA CA 1 1
1 15 1 1 2 ABA CB C -3.453 -0.943 3.977 1.00 . A A . 2 ABA CB 1 1
1 16 1 1 2 ABA CG C -4.768 -0.746 4.720 1.00 . A A . 2 ABA CG 1 1
1 17 1 1 2 ABA H H -4.302 1.335 1.833 1.00 . A A . 2 ABA H 1 1
1 18 1 1 2 ABA HA H -4.589 -0.883 2.167 1.00 . A A . 2 ABA HA 1 1
1 19 1 1 2 ABA HB3 H -3.186 -1.989 4.031 1.00 . A A . 2 ABA HB3 1 1
1 20 1 1 2 ABA HG1 H -5.569 -1.208 4.163 1.00 . A A . 2 ABA HG1 1 1
1 21 1 1 2 ABA HG2 H -4.968 0.310 4.827 1.00 . A A . 2 ABA HG2 1 1
1 22 1 1 2 ABA HG3 H -4.704 -1.200 5.699 1.00 . A A . 2 ABA HG3 1 1
1 23 1 1 2 ABA N N -3.548 0.898 2.292 1.00 . A A . 2 ABA N 1 1
1 24 1 1 2 ABA O O -2.011 -0.724 0.702 1.00 . A A . 2 ABA O 1 1
1 25 1 1 3 PHE C C -1.915 -3.651 -0.186 1.00 . A A . 3 PHE C 1 1
1 26 1 1 3 PHE CA C -1.390 -3.382 1.220 1.00 . A A . 3 PHE CA 1 1
1 27 1 1 3 PHE CB C -1.148 -4.707 1.958 1.00 . A A . 3 PHE CB 1 1
1 28 1 1 3 PHE CD1 C 0.951 -5.290 0.706 1.00 . A A . 3 PHE CD1 1 1
1 29 1 1 3 PHE CD2 C -0.696 -6.986 1.005 1.00 . A A . 3 PHE CD2 1 1
1 30 1 1 3 PHE CE1 C 1.745 -6.182 0.012 1.00 . A A . 3 PHE CE1 1 1
1 31 1 1 3 PHE CE2 C 0.095 -7.882 0.313 1.00 . A A . 3 PHE CE2 1 1
1 32 1 1 3 PHE CG C -0.277 -5.681 1.209 1.00 . A A . 3 PHE CG 1 1
1 33 1 1 3 PHE CZ C 1.317 -7.479 -0.184 1.00 . A A . 3 PHE CZ 1 1
1 34 1 1 3 PHE H H -2.847 -2.966 2.699 1.00 . A A . 3 PHE H 1 1
1 35 1 1 3 PHE HA H -0.457 -2.844 1.146 1.00 . A A . 3 PHE HA 1 1
1 36 1 1 3 PHE HB2 H -0.670 -4.499 2.904 1.00 . A A . 3 PHE HB2 1 1
1 37 1 1 3 PHE HB3 H -2.098 -5.186 2.140 1.00 . A A . 3 PHE HB3 1 1
1 38 1 1 3 PHE HD1 H 1.290 -4.274 0.861 1.00 . A A . 3 PHE HD1 1 1
1 39 1 1 3 PHE HD2 H -1.652 -7.304 1.393 1.00 . A A . 3 PHE HD2 1 1
1 40 1 1 3 PHE HE1 H 2.702 -5.865 -0.378 1.00 . A A . 3 PHE HE1 1 1
1 41 1 1 3 PHE HE2 H -0.243 -8.898 0.162 1.00 . A A . 3 PHE HE2 1 1
1 42 1 1 3 PHE HZ H 1.934 -8.177 -0.730 1.00 . A A . 3 PHE HZ 1 1
1 43 1 1 3 PHE N N -2.327 -2.553 1.969 1.00 . A A . 3 PHE N 1 1
1 44 1 1 3 PHE O O -2.702 -4.569 -0.400 1.00 . A A . 3 PHE O 1 1
1 45 1 1 4 ABA C C -2.859 -1.825 -2.936 1.00 . A A . 4 ABA C 1 1
1 46 1 1 4 ABA CA C -1.942 -2.968 -2.516 1.00 . A A . 4 ABA CA 1 1
1 47 1 1 4 ABA CB C -0.733 -3.035 -3.476 1.00 . A A . 4 ABA CB 1 1
1 48 1 1 4 ABA CG C -0.259 -4.469 -3.643 1.00 . A A . 4 ABA CG 1 1
1 49 1 1 4 ABA H H -0.925 -2.067 -0.892 1.00 . A A . 4 ABA H 1 1
1 50 1 1 4 ABA HA H -2.488 -3.899 -2.593 1.00 . A A . 4 ABA HA 1 1
1 51 1 1 4 ABA HB3 H -1.034 -2.658 -4.445 1.00 . A A . 4 ABA HB3 1 1
1 52 1 1 4 ABA HG1 H -1.045 -5.056 -4.095 1.00 . A A . 4 ABA HG1 1 1
1 53 1 1 4 ABA HG2 H -0.012 -4.880 -2.676 1.00 . A A . 4 ABA HG2 1 1
1 54 1 1 4 ABA HG3 H 0.615 -4.488 -4.277 1.00 . A A . 4 ABA HG3 1 1
1 55 1 1 4 ABA N N -1.512 -2.815 -1.133 1.00 . A A . 4 ABA N 1 1
1 56 1 1 4 ABA O O -2.981 -1.517 -4.121 1.00 . A A . 4 ABA O 1 1
1 57 1 1 5 LEU C C -3.985 1.173 -1.578 1.00 . A A . 5 LEU C 1 1
1 58 1 1 5 LEU CA C -4.439 -0.120 -2.237 1.00 . A A . 5 LEU CA 1 1
1 59 1 1 5 LEU CB C -5.848 -0.487 -1.779 1.00 . A A . 5 LEU CB 1 1
1 60 1 1 5 LEU CD1 C -7.846 -1.960 -2.098 1.00 . A A . 5 LEU CD1 1 1
1 61 1 1 5 LEU CD2 C -7.042 -0.522 -3.973 1.00 . A A . 5 LEU CD2 1 1
1 62 1 1 5 LEU CG C -6.626 -1.348 -2.766 1.00 . A A . 5 LEU CG 1 1
1 63 1 1 5 LEU H H -3.376 -1.497 -1.035 1.00 . A A . 5 LEU H 1 1
1 64 1 1 5 LEU HA H -4.451 0.030 -3.307 1.00 . A A . 5 LEU HA 1 1
1 65 1 1 5 LEU HB2 H -5.773 -1.022 -0.844 1.00 . A A . 5 LEU HB2 1 1
1 66 1 1 5 LEU HB3 H -6.402 0.424 -1.612 1.00 . A A . 5 LEU HB3 1 1
1 67 1 1 5 LEU HD11 H -8.008 -1.488 -1.140 1.00 . A A . 5 LEU HD11 1 1
1 68 1 1 5 LEU HD12 H -7.687 -3.018 -1.955 1.00 . A A . 5 LEU HD12 1 1
1 69 1 1 5 LEU HD13 H -8.714 -1.807 -2.724 1.00 . A A . 5 LEU HD13 1 1
1 70 1 1 5 LEU HD21 H -7.423 -1.178 -4.742 1.00 . A A . 5 LEU HD21 1 1
1 71 1 1 5 LEU HD22 H -6.185 0.017 -4.352 1.00 . A A . 5 LEU HD22 1 1
1 72 1 1 5 LEU HD23 H -7.809 0.179 -3.683 1.00 . A A . 5 LEU HD23 1 1
1 73 1 1 5 LEU HG H -5.990 -2.146 -3.113 1.00 . A A . 5 LEU HG 1 1
1 74 1 1 5 LEU N N -3.512 -1.208 -1.961 1.00 . A A . 5 LEU N 1 1
1 75 1 1 5 LEU O O -4.228 1.399 -0.396 1.00 . A A . 5 LEU O 1 1
1 76 1 1 6 PRO C C -3.819 4.169 -1.198 1.00 . A A . 6 PRO C 1 1
1 77 1 1 6 PRO CA C -2.765 3.309 -1.890 1.00 . A A . 6 PRO CA 1 1
1 78 1 1 6 PRO CB C -2.308 3.996 -3.178 1.00 . A A . 6 PRO CB 1 1
1 79 1 1 6 PRO CD C -2.959 1.756 -3.759 1.00 . A A . 6 PRO CD 1 1
1 80 1 1 6 PRO CG C -2.062 2.898 -4.152 1.00 . A A . 6 PRO CG 1 1
1 81 1 1 6 PRO HA H -1.920 3.179 -1.234 1.00 . A A . 6 PRO HA 1 1
1 82 1 1 6 PRO HB2 H -3.086 4.657 -3.522 1.00 . A A . 6 PRO HB2 1 1
1 83 1 1 6 PRO HB3 H -1.409 4.560 -2.986 1.00 . A A . 6 PRO HB3 1 1
1 84 1 1 6 PRO HD2 H -3.853 1.740 -4.367 1.00 . A A . 6 PRO HD2 1 1
1 85 1 1 6 PRO HD3 H -2.430 0.820 -3.851 1.00 . A A . 6 PRO HD3 1 1
1 86 1 1 6 PRO HG2 H -2.307 3.238 -5.147 1.00 . A A . 6 PRO HG2 1 1
1 87 1 1 6 PRO HG3 H -1.025 2.593 -4.108 1.00 . A A . 6 PRO HG3 1 1
1 88 1 1 6 PRO N N -3.292 2.020 -2.352 1.00 . A A . 6 PRO N 1 1
1 89 1 1 6 PRO O O -4.642 4.809 -1.854 1.00 . A A . 6 PRO O 1 1
1 90 1 1 7 GLY C C -4.299 6.247 1.284 1.00 . A A . 7 GLY C 1 1
1 91 1 1 7 GLY CA C -4.807 4.882 0.877 1.00 . A A . 7 GLY CA 1 1
1 92 1 1 7 GLY H H -3.182 3.558 0.589 1.00 . A A . 7 GLY H 1 1
1 93 1 1 7 GLY HA2 H -5.694 5.004 0.274 1.00 . A A . 7 GLY HA2 1 1
1 94 1 1 7 GLY HA3 H -5.061 4.325 1.766 1.00 . A A . 7 GLY HA3 1 1
1 95 1 1 7 GLY N N -3.825 4.134 0.123 1.00 . A A . 7 GLY N 1 1
1 96 1 1 7 GLY O O -4.375 7.201 0.508 1.00 . A A . 7 GLY O 1 1
1 97 1 1 8 GLY C C -1.930 7.533 3.597 1.00 . A A . 8 GLY C 1 1
1 98 1 1 8 GLY CA C -3.318 7.624 2.998 1.00 . A A . 8 GLY CA 1 1
1 99 1 1 8 GLY H H -3.779 5.563 3.086 1.00 . A A . 8 GLY H 1 1
1 100 1 1 8 GLY HA2 H -3.300 8.331 2.181 1.00 . A A . 8 GLY HA2 1 1
1 101 1 1 8 GLY HA3 H -4.000 7.984 3.755 1.00 . A A . 8 GLY HA3 1 1
1 102 1 1 8 GLY N N -3.798 6.351 2.505 1.00 . A A . 8 GLY N 1 1
1 103 1 1 8 GLY O O -1.779 7.400 4.812 1.00 . A A . 8 GLY O 1 1
1 104 1 1 9 GLY C C 1.189 6.357 2.754 1.00 . A A . 9 GLY C 1 1
1 105 1 1 9 GLY CA C 0.452 7.590 3.224 1.00 . A A . 9 GLY CA 1 1
1 106 1 1 9 GLY H H -1.099 7.743 1.791 1.00 . A A . 9 GLY H 1 1
1 107 1 1 9 GLY HA2 H 0.971 8.465 2.864 1.00 . A A . 9 GLY HA2 1 1
1 108 1 1 9 GLY HA3 H 0.450 7.606 4.305 1.00 . A A . 9 GLY HA3 1 1
1 109 1 1 9 GLY N N -0.917 7.629 2.752 1.00 . A A . 9 GLY N 1 1
1 110 1 1 9 GLY O O 2.148 5.916 3.388 1.00 . A A . 9 GLY O 1 1
1 111 1 1 10 GLY C C 0.885 4.262 -0.275 1.00 . A A . 10 GLY C 1 1
1 112 1 1 10 GLY CA C 1.393 4.625 1.100 1.00 . A A . 10 GLY CA 1 1
1 113 1 1 10 GLY H H -0.003 6.212 1.153 1.00 . A A . 10 GLY H 1 1
1 114 1 1 10 GLY HA2 H 2.458 4.796 1.043 1.00 . A A . 10 GLY HA2 1 1
1 115 1 1 10 GLY HA3 H 1.207 3.798 1.770 1.00 . A A . 10 GLY HA3 1 1
1 116 1 1 10 GLY N N 0.757 5.808 1.631 1.00 . A A . 10 GLY N 1 1
1 117 1 1 10 GLY O O -0.266 4.536 -0.616 1.00 . A A . 10 GLY O 1 1
1 118 1 1 11 VAL C C 1.563 1.626 -2.407 1.00 . A A . 11 VAL C 1 1
1 119 1 1 11 VAL CA C 1.391 3.143 -2.376 1.00 . A A . 11 VAL CA 1 1
1 120 1 1 11 VAL CB C 2.275 3.810 -3.462 1.00 . A A . 11 VAL CB 1 1
1 121 1 1 11 VAL CG1 C 1.727 3.563 -4.859 1.00 . A A . 11 VAL CG1 1 1
1 122 1 1 11 VAL CG2 C 2.408 5.304 -3.208 1.00 . A A . 11 VAL CG2 1 1
1 123 1 1 11 VAL H H 2.622 3.379 -0.677 1.00 . A A . 11 VAL H 1 1
1 124 1 1 11 VAL HA H 0.357 3.388 -2.566 1.00 . A A . 11 VAL HA 1 1
1 125 1 1 11 VAL HB H 3.260 3.373 -3.410 1.00 . A A . 11 VAL HB 1 1
1 126 1 1 11 VAL HG11 H 1.897 4.435 -5.473 1.00 . A A . 11 VAL HG11 1 1
1 127 1 1 11 VAL HG12 H 0.665 3.365 -4.800 1.00 . A A . 11 VAL HG12 1 1
1 128 1 1 11 VAL HG13 H 2.227 2.712 -5.294 1.00 . A A . 11 VAL HG13 1 1
1 129 1 1 11 VAL HG21 H 1.537 5.659 -2.677 1.00 . A A . 11 VAL HG21 1 1
1 130 1 1 11 VAL HG22 H 2.491 5.823 -4.152 1.00 . A A . 11 VAL HG22 1 1
1 131 1 1 11 VAL HG23 H 3.292 5.490 -2.617 1.00 . A A . 11 VAL HG23 1 1
1 132 1 1 11 VAL N N 1.740 3.613 -1.045 1.00 . A A . 11 VAL N 1 1
1 133 1 1 11 VAL O O 2.070 1.053 -1.449 1.00 . A A . 11 VAL O 1 1
1 134 1 1 12 CYS C C 2.562 -1.001 -3.466 1.00 . A A . 12 CYS C 1 1
1 135 1 1 12 CYS CA C 1.127 -0.480 -3.542 1.00 . A A . 12 CYS CA 1 1
1 136 1 1 12 CYS CB C 0.485 -0.956 -4.839 1.00 . A A . 12 CYS CB 1 1
1 137 1 1 12 CYS H H 0.640 1.480 -4.175 1.00 . A A . 12 CYS H 1 1
1 138 1 1 12 CYS HA H 0.568 -0.880 -2.709 1.00 . A A . 12 CYS HA 1 1
1 139 1 1 12 CYS HB2 H -0.489 -0.502 -4.937 1.00 . A A . 12 CYS HB2 1 1
1 140 1 1 12 CYS HB3 H 1.108 -0.640 -5.658 1.00 . A A . 12 CYS HB3 1 1
1 141 1 1 12 CYS N N 1.073 0.975 -3.454 1.00 . A A . 12 CYS N 1 1
1 142 1 1 12 CYS O O 3.296 -0.993 -4.456 1.00 . A A . 12 CYS O 1 1
1 143 1 1 12 CYS SG S 0.292 -2.746 -4.930 1.00 . A A . 12 CYS SG 1 1
1 144 1 1 13 ABA C C 5.244 -0.917 -1.604 1.00 . A A . 13 ABA C 1 1
1 145 1 1 13 ABA CA C 4.278 -2.001 -2.061 1.00 . A A . 13 ABA CA 1 1
1 146 1 1 13 ABA CB C 4.227 -3.136 -1.032 1.00 . A A . 13 ABA CB 1 1
1 147 1 1 13 ABA CG C 4.275 -4.485 -1.730 1.00 . A A . 13 ABA CG 1 1
1 148 1 1 13 ABA H H 2.325 -1.407 -1.530 1.00 . A A . 13 ABA H 1 1
1 149 1 1 13 ABA HA H 4.636 -2.413 -2.992 1.00 . A A . 13 ABA HA 1 1
1 150 1 1 13 ABA HB3 H 3.292 -3.066 -0.497 1.00 . A A . 13 ABA HB3 1 1
1 151 1 1 13 ABA HG1 H 5.277 -4.667 -2.093 1.00 . A A . 13 ABA HG1 1 1
1 152 1 1 13 ABA HG2 H 3.587 -4.482 -2.563 1.00 . A A . 13 ABA HG2 1 1
1 153 1 1 13 ABA HG3 H 3.996 -5.263 -1.035 1.00 . A A . 13 ABA HG3 1 1
1 154 1 1 13 ABA N N 2.951 -1.451 -2.283 1.00 . A A . 13 ABA N 1 1
1 155 1 1 13 ABA O O 6.457 -1.129 -1.544 1.00 . A A . 13 ABA O 1 1
1 156 1 1 14 LEU C C 5.043 2.088 0.244 1.00 . A A . 14 LEU C 1 1
1 157 1 1 14 LEU CA C 5.519 1.432 -1.048 1.00 . A A . 14 LEU CA 1 1
1 158 1 1 14 LEU CB C 5.452 2.454 -2.187 1.00 . A A . 14 LEU CB 1 1
1 159 1 1 14 LEU CD1 C 5.538 3.009 -4.622 1.00 . A A . 14 LEU CD1 1 1
1 160 1 1 14 LEU CD2 C 7.086 1.288 -3.696 1.00 . A A . 14 LEU CD2 1 1
1 161 1 1 14 LEU CG C 5.700 1.904 -3.596 1.00 . A A . 14 LEU CG 1 1
1 162 1 1 14 LEU H H 3.736 0.388 -1.483 1.00 . A A . 14 LEU H 1 1
1 163 1 1 14 LEU HA H 6.540 1.103 -0.926 1.00 . A A . 14 LEU HA 1 1
1 164 1 1 14 LEU HB2 H 4.472 2.908 -2.173 1.00 . A A . 14 LEU HB2 1 1
1 165 1 1 14 LEU HB3 H 6.186 3.223 -1.994 1.00 . A A . 14 LEU HB3 1 1
1 166 1 1 14 LEU HD11 H 6.335 2.946 -5.348 1.00 . A A . 14 LEU HD11 1 1
1 167 1 1 14 LEU HD12 H 5.578 3.970 -4.127 1.00 . A A . 14 LEU HD12 1 1
1 168 1 1 14 LEU HD13 H 4.587 2.900 -5.121 1.00 . A A . 14 LEU HD13 1 1
1 169 1 1 14 LEU HD21 H 7.215 0.566 -2.904 1.00 . A A . 14 LEU HD21 1 1
1 170 1 1 14 LEU HD22 H 7.833 2.063 -3.603 1.00 . A A . 14 LEU HD22 1 1
1 171 1 1 14 LEU HD23 H 7.193 0.797 -4.653 1.00 . A A . 14 LEU HD23 1 1
1 172 1 1 14 LEU HG H 4.967 1.134 -3.815 1.00 . A A . 14 LEU HG 1 1
1 173 1 1 14 LEU N N 4.707 0.273 -1.374 1.00 . A A . 14 LEU N 1 1
1 174 1 1 14 LEU O O 4.174 2.965 0.214 1.00 . A A . 14 LEU O 1 1
1 175 1 1 15 ABA C C 5.416 1.278 3.777 1.00 . A A . 15 ABA C 1 1
1 176 1 1 15 ABA CA C 5.285 2.294 2.649 1.00 . A A . 15 ABA CA 1 1
1 177 1 1 15 ABA CB C 6.163 3.532 2.965 1.00 . A A . 15 ABA CB 1 1
1 178 1 1 15 ABA CG C 5.493 4.775 2.408 1.00 . A A . 15 ABA CG 1 1
1 179 1 1 15 ABA H H 6.325 1.001 1.333 1.00 . A A . 15 ABA H 1 1
1 180 1 1 15 ABA HA H 4.254 2.620 2.594 1.00 . A A . 15 ABA HA 1 1
1 181 1 1 15 ABA HB3 H 6.232 3.635 4.038 1.00 . A A . 15 ABA HB3 1 1
1 182 1 1 15 ABA HG1 H 6.051 5.651 2.709 1.00 . A A . 15 ABA HG1 1 1
1 183 1 1 15 ABA HG2 H 4.485 4.843 2.791 1.00 . A A . 15 ABA HG2 1 1
1 184 1 1 15 ABA HG3 H 5.466 4.718 1.331 1.00 . A A . 15 ABA HG3 1 1
1 185 1 1 15 ABA N N 5.633 1.701 1.366 1.00 . A A . 15 ABA N 1 1
1 186 1 1 15 ABA O O 6.129 0.280 3.652 1.00 . A A . 15 ABA O 1 1
1 187 1 1 16 DHA C C 4.258 -0.563 5.989 1.00 . A A . 16 DHA C 1 1
1 188 1 1 16 DHA CA C 4.818 0.738 5.982 1.00 . A A . 16 DHA CA 1 1
1 189 1 1 16 DHA CB C 5.446 1.183 7.077 1.00 . A A . 16 DHA CB 1 1
1 190 1 1 16 DHA H H 4.196 2.381 4.870 1.00 . A A . 16 DHA H 1 1
1 191 1 1 16 DHA HB1 H 5.879 2.173 7.088 1.00 . A A . 16 DHA HB1 1 1
1 192 1 1 16 DHA HB2 H 5.519 0.551 7.949 1.00 . A A . 16 DHA HB2 1 1
1 193 1 1 16 DHA N N 4.732 1.558 4.885 1.00 . A A . 16 DHA N 1 1
1 194 1 1 16 DHA O O 4.493 -1.344 6.914 1.00 . A A . 16 DHA O 1 1
1 195 1 1 17 GLU C C 3.735 -3.179 4.202 1.00 . A A . 17 GLU C 1 1
1 196 1 1 17 GLU CA C 2.820 -2.168 4.879 1.00 . A A . 17 GLU CA 1 1
1 197 1 1 17 GLU CB C 1.500 -2.053 4.104 1.00 . A A . 17 GLU CB 1 1
1 198 1 1 17 GLU CD C 1.889 -0.414 2.197 1.00 . A A . 17 GLU CD 1 1
1 199 1 1 17 GLU CG C 1.659 -1.858 2.598 1.00 . A A . 17 GLU CG 1 1
1 200 1 1 17 GLU H H 3.319 -0.216 4.248 1.00 . A A . 17 GLU H 1 1
1 201 1 1 17 GLU HA H 2.611 -2.502 5.883 1.00 . A A . 17 GLU HA 1 1
1 202 1 1 17 GLU HB2 H 0.930 -2.950 4.266 1.00 . A A . 17 GLU HB2 1 1
1 203 1 1 17 GLU HB3 H 0.942 -1.214 4.495 1.00 . A A . 17 GLU HB3 1 1
1 204 1 1 17 GLU HG2 H 2.503 -2.440 2.265 1.00 . A A . 17 GLU HG2 1 1
1 205 1 1 17 GLU HG3 H 0.763 -2.213 2.107 1.00 . A A . 17 GLU HG3 1 1
1 206 1 1 17 GLU N N 3.475 -0.878 4.966 1.00 . A A . 17 GLU N 1 1
1 207 1 1 17 GLU O O 3.494 -4.384 4.249 1.00 . A A . 17 GLU O 1 1
1 208 1 1 17 GLU OE1 O 2.896 0.176 2.628 1.00 . A A . 17 GLU OE1 1 1
1 209 1 1 17 GLU OE2 O 1.040 0.142 1.472 1.00 . A A . 17 GLU OE2 1 1
1 210 1 1 18 CYS C C 7.127 -3.337 3.386 1.00 . A A . 18 CYS C 1 1
1 211 1 1 18 CYS CA C 5.713 -3.524 2.849 1.00 . A A . 18 CYS CA 1 1
1 212 1 1 18 CYS CB C 5.629 -3.234 1.351 1.00 . A A . 18 CYS CB 1 1
1 213 1 1 18 CYS H H 4.898 -1.702 3.541 1.00 . A A . 18 CYS H 1 1
1 214 1 1 18 CYS HA H 5.418 -4.548 3.020 1.00 . A A . 18 CYS HA 1 1
1 215 1 1 18 CYS HB2 H 5.718 -2.169 1.192 1.00 . A A . 18 CYS HB2 1 1
1 216 1 1 18 CYS HB3 H 6.433 -3.737 0.836 1.00 . A A . 18 CYS HB3 1 1
1 217 1 1 18 CYS N N 4.774 -2.675 3.558 1.00 . A A . 18 CYS N 1 1
1 218 1 1 18 CYS O O 7.637 -4.193 4.107 1.00 . A A . 18 CYS O 1 1
1 219 1 1 18 CYS SG S 4.075 -3.784 0.634 1.00 . A A . 18 CYS SG 1 1
1 220 1 1 19 ILE C C 8.976 -0.780 4.673 1.00 . A A . 19 ILE C 1 1
1 221 1 1 19 ILE CA C 9.056 -1.898 3.636 1.00 . A A . 19 ILE CA 1 1
1 222 1 1 19 ILE CB C 10.047 -1.504 2.512 1.00 . A A . 19 ILE CB 1 1
1 223 1 1 19 ILE CD1 C 10.488 -3.940 1.879 1.00 . A A . 19 ILE CD1 1 1
1 224 1 1 19 ILE CG1 C 10.056 -2.567 1.409 1.00 . A A . 19 ILE CG1 1 1
1 225 1 1 19 ILE CG2 C 11.453 -1.309 3.070 1.00 . A A . 19 ILE CG2 1 1
1 226 1 1 19 ILE H H 7.258 -1.505 2.587 1.00 . A A . 19 ILE H 1 1
1 227 1 1 19 ILE HA H 9.425 -2.794 4.117 1.00 . A A . 19 ILE HA 1 1
1 228 1 1 19 ILE HB H 9.722 -0.564 2.090 1.00 . A A . 19 ILE HB 1 1
1 229 1 1 19 ILE HD11 H 11.391 -4.226 1.363 1.00 . A A . 19 ILE HD11 1 1
1 230 1 1 19 ILE HD12 H 9.708 -4.657 1.665 1.00 . A A . 19 ILE HD12 1 1
1 231 1 1 19 ILE HD13 H 10.671 -3.914 2.944 1.00 . A A . 19 ILE HD13 1 1
1 232 1 1 19 ILE HG12 H 9.062 -2.654 0.998 1.00 . A A . 19 ILE HG12 1 1
1 233 1 1 19 ILE HG13 H 10.734 -2.256 0.628 1.00 . A A . 19 ILE HG13 1 1
1 234 1 1 19 ILE HG21 H 11.391 -0.830 4.036 1.00 . A A . 19 ILE HG21 1 1
1 235 1 1 19 ILE HG22 H 12.028 -0.689 2.396 1.00 . A A . 19 ILE HG22 1 1
1 236 1 1 19 ILE HG23 H 11.934 -2.269 3.176 1.00 . A A . 19 ILE HG23 1 1
1 237 1 1 19 ILE N N 7.729 -2.191 3.112 1.00 . A A . 19 ILE N 1 1
1 238 1 1 19 ILE O O 8.738 -1.039 5.856 1.00 . A A . 19 ILE O 1 1
1 239 1 1 20 TEE CA C 9.018 1.518 5.091 1.00 . A A . 20 TEE CA 1 1
1 240 1 1 20 TEE CB C 8.180 2.613 4.801 1.00 . A A . 20 TEE CB 1 1
1 241 1 1 20 TEE HA H 7.958 1.330 5.017 1.00 . A A . 20 TEE HA 1 1
1 242 1 1 20 TEE HB2 H 7.114 2.470 4.706 1.00 . A A . 20 TEE HB2 1 1
1 243 1 1 20 TEE HN1 H 9.240 0.567 3.253 1.00 . A A . 20 TEE HN1 1 1
1 244 1 1 20 TEE N N 9.104 0.463 4.218 1.00 . A A . 20 TEE N 1 1
1 245 1 1 20 TEE SG S 7.104 4.009 4.430 1.00 . A A . 20 TEE SG 1 1
2 246 1 1 1 CYS C C -2.889 2.151 2.162 1.00 . A A . 1 CYS C 1 1
2 247 1 1 1 CYS CA C -1.839 1.465 3.029 1.00 . A A . 1 CYS CA 1 1
2 248 1 1 1 CYS CB C -2.193 1.611 4.505 1.00 . A A . 1 CYS CB 1 1
2 249 1 1 1 CYS H1 H 0.067 1.996 3.660 1.00 . A A . 1 CYS H1 1 1
2 250 1 1 1 CYS H2 H -0.575 3.008 2.462 1.00 . A A . 1 CYS H2 1 1
2 251 1 1 1 CYS H3 H -0.011 1.459 2.050 1.00 . A A . 1 CYS H3 1 1
2 252 1 1 1 CYS HA H -1.814 0.414 2.776 1.00 . A A . 1 CYS HA 1 1
2 253 1 1 1 CYS HB2 H -1.498 1.028 5.092 1.00 . A A . 1 CYS HB2 1 1
2 254 1 1 1 CYS HB3 H -2.110 2.650 4.788 1.00 . A A . 1 CYS HB3 1 1
2 255 1 1 1 CYS N N -0.498 2.026 2.785 1.00 . A A . 1 CYS N 1 1
2 256 1 1 1 CYS O O -2.747 3.330 1.831 1.00 . A A . 1 CYS O 1 1
2 257 1 1 1 CYS SG S -3.862 1.053 4.882 1.00 . A A . 1 CYS SG 1 1
2 258 1 1 2 ABA C C -2.992 -0.856 1.423 1.00 . A A . 2 ABA C 1 1
2 259 1 1 2 ABA CA C -4.073 -0.010 2.093 1.00 . A A . 2 ABA CA 1 1
2 260 1 1 2 ABA CB C -4.050 -0.231 3.626 1.00 . A A . 2 ABA CB 1 1
2 261 1 1 2 ABA CG C -5.369 0.202 4.246 1.00 . A A . 2 ABA CG 1 1
2 262 1 1 2 ABA H H -4.613 1.831 1.199 1.00 . A A . 2 ABA H 1 1
2 263 1 1 2 ABA HA H -5.034 -0.333 1.724 1.00 . A A . 2 ABA HA 1 1
2 264 1 1 2 ABA HB3 H -3.923 -1.287 3.812 1.00 . A A . 2 ABA HB3 1 1
2 265 1 1 2 ABA HG1 H -6.180 -0.347 3.787 1.00 . A A . 2 ABA HG1 1 1
2 266 1 1 2 ABA HG2 H -5.514 1.260 4.085 1.00 . A A . 2 ABA HG2 1 1
2 267 1 1 2 ABA HG3 H -5.353 -0.002 5.307 1.00 . A A . 2 ABA HG3 1 1
2 268 1 1 2 ABA N N -3.918 1.407 1.746 1.00 . A A . 2 ABA N 1 1
2 269 1 1 2 ABA O O -2.428 -0.446 0.409 1.00 . A A . 2 ABA O 1 1
2 270 1 1 3 PHE C C -2.070 -3.360 0.020 1.00 . A A . 3 PHE C 1 1
2 271 1 1 3 PHE CA C -1.708 -2.933 1.440 1.00 . A A . 3 PHE CA 1 1
2 272 1 1 3 PHE CB C -1.569 -4.167 2.342 1.00 . A A . 3 PHE CB 1 1
2 273 1 1 3 PHE CD1 C 0.640 -4.908 1.390 1.00 . A A . 3 PHE CD1 1 1
2 274 1 1 3 PHE CD2 C -1.063 -6.543 1.719 1.00 . A A . 3 PHE CD2 1 1
2 275 1 1 3 PHE CE1 C 1.485 -5.886 0.899 1.00 . A A . 3 PHE CE1 1 1
2 276 1 1 3 PHE CE2 C -0.221 -7.524 1.229 1.00 . A A . 3 PHE CE2 1 1
2 277 1 1 3 PHE CG C -0.643 -5.225 1.806 1.00 . A A . 3 PHE CG 1 1
2 278 1 1 3 PHE CZ C 1.053 -7.192 0.819 1.00 . A A . 3 PHE CZ 1 1
2 279 1 1 3 PHE H H -3.235 -2.305 2.774 1.00 . A A . 3 PHE H 1 1
2 280 1 1 3 PHE HA H -0.767 -2.406 1.416 1.00 . A A . 3 PHE HA 1 1
2 281 1 1 3 PHE HB2 H -1.195 -3.858 3.304 1.00 . A A . 3 PHE HB2 1 1
2 282 1 1 3 PHE HB3 H -2.545 -4.615 2.471 1.00 . A A . 3 PHE HB3 1 1
2 283 1 1 3 PHE HD1 H 0.979 -3.885 1.453 1.00 . A A . 3 PHE HD1 1 1
2 284 1 1 3 PHE HD2 H -2.061 -6.803 2.039 1.00 . A A . 3 PHE HD2 1 1
2 285 1 1 3 PHE HE1 H 2.482 -5.624 0.577 1.00 . A A . 3 PHE HE1 1 1
2 286 1 1 3 PHE HE2 H -0.561 -8.548 1.167 1.00 . A A . 3 PHE HE2 1 1
2 287 1 1 3 PHE HZ H 1.714 -7.957 0.436 1.00 . A A . 3 PHE HZ 1 1
2 288 1 1 3 PHE N N -2.719 -2.026 1.983 1.00 . A A . 3 PHE N 1 1
2 289 1 1 3 PHE O O -2.951 -4.200 -0.181 1.00 . A A . 3 PHE O 1 1
2 290 1 1 4 ABA C C -2.719 -2.098 -2.964 1.00 . A A . 4 ABA C 1 1
2 291 1 1 4 ABA CA C -1.710 -3.067 -2.357 1.00 . A A . 4 ABA CA 1 1
2 292 1 1 4 ABA CB C -0.431 -3.076 -3.217 1.00 . A A . 4 ABA CB 1 1
2 293 1 1 4 ABA CG C 0.154 -4.474 -3.275 1.00 . A A . 4 ABA CG 1 1
2 294 1 1 4 ABA H H -0.753 -2.059 -0.747 1.00 . A A . 4 ABA H 1 1
2 295 1 1 4 ABA HA H -2.134 -4.061 -2.381 1.00 . A A . 4 ABA HA 1 1
2 296 1 1 4 ABA HB3 H -0.694 -2.779 -4.222 1.00 . A A . 4 ABA HB3 1 1
2 297 1 1 4 ABA HG1 H 0.130 -4.913 -2.288 1.00 . A A . 4 ABA HG1 1 1
2 298 1 1 4 ABA HG2 H 1.175 -4.422 -3.622 1.00 . A A . 4 ABA HG2 1 1
2 299 1 1 4 ABA HG3 H -0.427 -5.081 -3.952 1.00 . A A . 4 ABA HG3 1 1
2 300 1 1 4 ABA N N -1.432 -2.746 -0.966 1.00 . A A . 4 ABA N 1 1
2 301 1 1 4 ABA O O -2.829 -1.989 -4.187 1.00 . A A . 4 ABA O 1 1
2 302 1 1 5 LEU C C -4.464 0.814 -1.974 1.00 . A A . 5 LEU C 1 1
2 303 1 1 5 LEU CA C -4.586 -0.586 -2.570 1.00 . A A . 5 LEU CA 1 1
2 304 1 1 5 LEU CB C -5.937 -1.204 -2.227 1.00 . A A . 5 LEU CB 1 1
2 305 1 1 5 LEU CD1 C -7.461 -3.184 -2.372 1.00 . A A . 5 LEU CD1 1 1
2 306 1 1 5 LEU CD2 C -6.352 -2.303 -4.433 1.00 . A A . 5 LEU CD2 1 1
2 307 1 1 5 LEU CG C -6.213 -2.526 -2.936 1.00 . A A . 5 LEU CG 1 1
2 308 1 1 5 LEU H H -3.400 -1.612 -1.148 1.00 . A A . 5 LEU H 1 1
2 309 1 1 5 LEU HA H -4.505 -0.508 -3.644 1.00 . A A . 5 LEU HA 1 1
2 310 1 1 5 LEU HB2 H -5.976 -1.371 -1.160 1.00 . A A . 5 LEU HB2 1 1
2 311 1 1 5 LEU HB3 H -6.713 -0.504 -2.497 1.00 . A A . 5 LEU HB3 1 1
2 312 1 1 5 LEU HD11 H -7.282 -4.242 -2.247 1.00 . A A . 5 LEU HD11 1 1
2 313 1 1 5 LEU HD12 H -8.285 -3.036 -3.055 1.00 . A A . 5 LEU HD12 1 1
2 314 1 1 5 LEU HD13 H -7.700 -2.743 -1.417 1.00 . A A . 5 LEU HD13 1 1
2 315 1 1 5 LEU HD21 H -7.071 -1.519 -4.616 1.00 . A A . 5 LEU HD21 1 1
2 316 1 1 5 LEU HD22 H -6.687 -3.215 -4.904 1.00 . A A . 5 LEU HD22 1 1
2 317 1 1 5 LEU HD23 H -5.395 -2.016 -4.843 1.00 . A A . 5 LEU HD23 1 1
2 318 1 1 5 LEU HG H -5.376 -3.189 -2.773 1.00 . A A . 5 LEU HG 1 1
2 319 1 1 5 LEU N N -3.515 -1.462 -2.110 1.00 . A A . 5 LEU N 1 1
2 320 1 1 5 LEU O O -5.057 1.126 -0.942 1.00 . A A . 5 LEU O 1 1
2 321 1 1 6 PRO C C -4.592 3.941 -2.316 1.00 . A A . 6 PRO C 1 1
2 322 1 1 6 PRO CA C -3.376 3.026 -2.182 1.00 . A A . 6 PRO CA 1 1
2 323 1 1 6 PRO CB C -2.279 3.496 -3.142 1.00 . A A . 6 PRO CB 1 1
2 324 1 1 6 PRO CD C -2.864 1.291 -3.803 1.00 . A A . 6 PRO CD 1 1
2 325 1 1 6 PRO CG C -1.726 2.255 -3.747 1.00 . A A . 6 PRO CG 1 1
2 326 1 1 6 PRO HA H -3.007 3.063 -1.169 1.00 . A A . 6 PRO HA 1 1
2 327 1 1 6 PRO HB2 H -2.711 4.141 -3.890 1.00 . A A . 6 PRO HB2 1 1
2 328 1 1 6 PRO HB3 H -1.523 4.035 -2.590 1.00 . A A . 6 PRO HB3 1 1
2 329 1 1 6 PRO HD2 H -3.435 1.432 -4.700 1.00 . A A . 6 PRO HD2 1 1
2 330 1 1 6 PRO HD3 H -2.511 0.270 -3.736 1.00 . A A . 6 PRO HD3 1 1
2 331 1 1 6 PRO HG2 H -1.356 2.462 -4.741 1.00 . A A . 6 PRO HG2 1 1
2 332 1 1 6 PRO HG3 H -0.935 1.863 -3.123 1.00 . A A . 6 PRO HG3 1 1
2 333 1 1 6 PRO N N -3.640 1.648 -2.612 1.00 . A A . 6 PRO N 1 1
2 334 1 1 6 PRO O O -4.791 4.582 -3.351 1.00 . A A . 6 PRO O 1 1
2 335 1 1 7 GLY C C -6.234 6.176 -0.391 1.00 . A A . 7 GLY C 1 1
2 336 1 1 7 GLY CA C -6.496 4.954 -1.244 1.00 . A A . 7 GLY CA 1 1
2 337 1 1 7 GLY H H -5.134 3.547 -0.441 1.00 . A A . 7 GLY H 1 1
2 338 1 1 7 GLY HA2 H -6.701 5.268 -2.258 1.00 . A A . 7 GLY HA2 1 1
2 339 1 1 7 GLY HA3 H -7.358 4.433 -0.856 1.00 . A A . 7 GLY HA3 1 1
2 340 1 1 7 GLY N N -5.360 4.055 -1.249 1.00 . A A . 7 GLY N 1 1
2 341 1 1 7 GLY O O -6.665 7.282 -0.720 1.00 . A A . 7 GLY O 1 1
2 342 1 1 8 GLY C C -4.138 6.644 2.616 1.00 . A A . 8 GLY C 1 1
2 343 1 1 8 GLY CA C -5.078 7.089 1.521 1.00 . A A . 8 GLY CA 1 1
2 344 1 1 8 GLY H H -5.107 5.089 0.847 1.00 . A A . 8 GLY H 1 1
2 345 1 1 8 GLY HA2 H -4.593 7.848 0.925 1.00 . A A . 8 GLY HA2 1 1
2 346 1 1 8 GLY HA3 H -5.967 7.507 1.969 1.00 . A A . 8 GLY HA3 1 1
2 347 1 1 8 GLY N N -5.455 5.987 0.664 1.00 . A A . 8 GLY N 1 1
2 348 1 1 8 GLY O O -4.569 6.348 3.729 1.00 . A A . 8 GLY O 1 1
2 349 1 1 9 GLY C C -0.519 5.843 2.637 1.00 . A A . 9 GLY C 1 1
2 350 1 1 9 GLY CA C -1.883 6.084 3.251 1.00 . A A . 9 GLY CA 1 1
2 351 1 1 9 GLY H H -2.581 6.747 1.362 1.00 . A A . 9 GLY H 1 1
2 352 1 1 9 GLY HA2 H -1.790 6.832 4.024 1.00 . A A . 9 GLY HA2 1 1
2 353 1 1 9 GLY HA3 H -2.234 5.165 3.697 1.00 . A A . 9 GLY HA3 1 1
2 354 1 1 9 GLY N N -2.861 6.535 2.284 1.00 . A A . 9 GLY N 1 1
2 355 1 1 9 GLY O O 0.502 6.013 3.298 1.00 . A A . 9 GLY O 1 1
2 356 1 1 10 GLY C C 0.566 4.736 -0.728 1.00 . A A . 10 GLY C 1 1
2 357 1 1 10 GLY CA C 0.766 5.203 0.697 1.00 . A A . 10 GLY CA 1 1
2 358 1 1 10 GLY H H -1.341 5.347 0.878 1.00 . A A . 10 GLY H 1 1
2 359 1 1 10 GLY HA2 H 1.343 6.114 0.689 1.00 . A A . 10 GLY HA2 1 1
2 360 1 1 10 GLY HA3 H 1.312 4.446 1.241 1.00 . A A . 10 GLY HA3 1 1
2 361 1 1 10 GLY N N -0.495 5.451 1.370 1.00 . A A . 10 GLY N 1 1
2 362 1 1 10 GLY O O -0.458 5.040 -1.338 1.00 . A A . 10 GLY O 1 1
2 363 1 1 11 VAL C C 1.563 1.852 -2.476 1.00 . A A . 11 VAL C 1 1
2 364 1 1 11 VAL CA C 1.377 3.366 -2.572 1.00 . A A . 11 VAL CA 1 1
2 365 1 1 11 VAL CB C 2.397 3.960 -3.575 1.00 . A A . 11 VAL CB 1 1
2 366 1 1 11 VAL CG1 C 1.973 3.674 -5.009 1.00 . A A . 11 VAL CG1 1 1
2 367 1 1 11 VAL CG2 C 2.578 5.457 -3.363 1.00 . A A . 11 VAL CG2 1 1
2 368 1 1 11 VAL H H 2.271 3.689 -0.677 1.00 . A A . 11 VAL H 1 1
2 369 1 1 11 VAL HA H 0.379 3.574 -2.932 1.00 . A A . 11 VAL HA 1 1
2 370 1 1 11 VAL HB H 3.348 3.481 -3.412 1.00 . A A . 11 VAL HB 1 1
2 371 1 1 11 VAL HG11 H 2.769 3.956 -5.682 1.00 . A A . 11 VAL HG11 1 1
2 372 1 1 11 VAL HG12 H 1.086 4.243 -5.243 1.00 . A A . 11 VAL HG12 1 1
2 373 1 1 11 VAL HG13 H 1.764 2.620 -5.119 1.00 . A A . 11 VAL HG13 1 1
2 374 1 1 11 VAL HG21 H 2.449 5.973 -4.303 1.00 . A A . 11 VAL HG21 1 1
2 375 1 1 11 VAL HG22 H 3.569 5.648 -2.979 1.00 . A A . 11 VAL HG22 1 1
2 376 1 1 11 VAL HG23 H 1.844 5.811 -2.654 1.00 . A A . 11 VAL HG23 1 1
2 377 1 1 11 VAL N N 1.504 3.950 -1.238 1.00 . A A . 11 VAL N 1 1
2 378 1 1 11 VAL O O 2.049 1.357 -1.463 1.00 . A A . 11 VAL O 1 1
2 379 1 1 12 CYS C C 2.544 -0.869 -3.321 1.00 . A A . 12 CYS C 1 1
2 380 1 1 12 CYS CA C 1.120 -0.338 -3.454 1.00 . A A . 12 CYS CA 1 1
2 381 1 1 12 CYS CB C 0.492 -0.917 -4.716 1.00 . A A . 12 CYS CB 1 1
2 382 1 1 12 CYS H H 0.665 1.571 -4.240 1.00 . A A . 12 CYS H 1 1
2 383 1 1 12 CYS HA H 0.539 -0.658 -2.603 1.00 . A A . 12 CYS HA 1 1
2 384 1 1 12 CYS HB2 H -0.525 -0.564 -4.798 1.00 . A A . 12 CYS HB2 1 1
2 385 1 1 12 CYS HB3 H 1.058 -0.571 -5.569 1.00 . A A . 12 CYS HB3 1 1
2 386 1 1 12 CYS N N 1.091 1.120 -3.482 1.00 . A A . 12 CYS N 1 1
2 387 1 1 12 CYS O O 3.325 -0.825 -4.273 1.00 . A A . 12 CYS O 1 1
2 388 1 1 12 CYS SG S 0.469 -2.721 -4.743 1.00 . A A . 12 CYS SG 1 1
2 389 1 1 13 ABA C C 5.163 -0.814 -1.427 1.00 . A A . 13 ABA C 1 1
2 390 1 1 13 ABA CA C 4.212 -1.901 -1.901 1.00 . A A . 13 ABA CA 1 1
2 391 1 1 13 ABA CB C 4.166 -3.038 -0.881 1.00 . A A . 13 ABA CB 1 1
2 392 1 1 13 ABA CG C 3.946 -4.370 -1.580 1.00 . A A . 13 ABA CG 1 1
2 393 1 1 13 ABA H H 2.223 -1.351 -1.404 1.00 . A A . 13 ABA H 1 1
2 394 1 1 13 ABA HA H 4.589 -2.307 -2.825 1.00 . A A . 13 ABA HA 1 1
2 395 1 1 13 ABA HB3 H 3.328 -2.862 -0.222 1.00 . A A . 13 ABA HB3 1 1
2 396 1 1 13 ABA HG1 H 4.474 -5.147 -1.049 1.00 . A A . 13 ABA HG1 1 1
2 397 1 1 13 ABA HG2 H 4.316 -4.309 -2.592 1.00 . A A . 13 ABA HG2 1 1
2 398 1 1 13 ABA HG3 H 2.892 -4.598 -1.596 1.00 . A A . 13 ABA HG3 1 1
2 399 1 1 13 ABA N N 2.886 -1.357 -2.141 1.00 . A A . 13 ABA N 1 1
2 400 1 1 13 ABA O O 6.341 -1.062 -1.189 1.00 . A A . 13 ABA O 1 1
2 401 1 1 14 LEU C C 4.999 2.197 0.235 1.00 . A A . 14 LEU C 1 1
2 402 1 1 14 LEU CA C 5.487 1.555 -1.052 1.00 . A A . 14 LEU CA 1 1
2 403 1 1 14 LEU CB C 5.456 2.580 -2.190 1.00 . A A . 14 LEU CB 1 1
2 404 1 1 14 LEU CD1 C 5.619 3.116 -4.643 1.00 . A A . 14 LEU CD1 1 1
2 405 1 1 14 LEU CD2 C 7.016 1.292 -3.675 1.00 . A A . 14 LEU CD2 1 1
2 406 1 1 14 LEU CG C 5.680 2.012 -3.598 1.00 . A A . 14 LEU CG 1 1
2 407 1 1 14 LEU H H 3.724 0.552 -1.633 1.00 . A A . 14 LEU H 1 1
2 408 1 1 14 LEU HA H 6.500 1.208 -0.912 1.00 . A A . 14 LEU HA 1 1
2 409 1 1 14 LEU HB2 H 4.497 3.074 -2.169 1.00 . A A . 14 LEU HB2 1 1
2 410 1 1 14 LEU HB3 H 6.223 3.316 -2.000 1.00 . A A . 14 LEU HB3 1 1
2 411 1 1 14 LEU HD11 H 5.406 2.682 -5.610 1.00 . A A . 14 LEU HD11 1 1
2 412 1 1 14 LEU HD12 H 6.569 3.628 -4.682 1.00 . A A . 14 LEU HD12 1 1
2 413 1 1 14 LEU HD13 H 4.842 3.817 -4.383 1.00 . A A . 14 LEU HD13 1 1
2 414 1 1 14 LEU HD21 H 6.950 0.490 -4.395 1.00 . A A . 14 LEU HD21 1 1
2 415 1 1 14 LEU HD22 H 7.264 0.888 -2.705 1.00 . A A . 14 LEU HD22 1 1
2 416 1 1 14 LEU HD23 H 7.780 1.990 -3.982 1.00 . A A . 14 LEU HD23 1 1
2 417 1 1 14 LEU HG H 4.896 1.295 -3.823 1.00 . A A . 14 LEU HG 1 1
2 418 1 1 14 LEU N N 4.664 0.409 -1.386 1.00 . A A . 14 LEU N 1 1
2 419 1 1 14 LEU O O 4.018 2.943 0.239 1.00 . A A . 14 LEU O 1 1
2 420 1 1 15 ABA C C 5.366 1.350 3.695 1.00 . A A . 15 ABA C 1 1
2 421 1 1 15 ABA CA C 5.307 2.433 2.625 1.00 . A A . 15 ABA CA 1 1
2 422 1 1 15 ABA CB C 6.223 3.614 3.012 1.00 . A A . 15 ABA CB 1 1
2 423 1 1 15 ABA CG C 5.572 4.915 2.572 1.00 . A A . 15 ABA CG 1 1
2 424 1 1 15 ABA H H 6.440 1.279 1.264 1.00 . A A . 15 ABA H 1 1
2 425 1 1 15 ABA HA H 4.294 2.802 2.556 1.00 . A A . 15 ABA HA 1 1
2 426 1 1 15 ABA HB3 H 6.318 3.631 4.089 1.00 . A A . 15 ABA HB3 1 1
2 427 1 1 15 ABA HG1 H 4.675 5.080 3.149 1.00 . A A . 15 ABA HG1 1 1
2 428 1 1 15 ABA HG2 H 5.319 4.855 1.525 1.00 . A A . 15 ABA HG2 1 1
2 429 1 1 15 ABA HG3 H 6.260 5.735 2.729 1.00 . A A . 15 ABA HG3 1 1
2 430 1 1 15 ABA N N 5.672 1.890 1.330 1.00 . A A . 15 ABA N 1 1
2 431 1 1 15 ABA O O 5.937 0.279 3.470 1.00 . A A . 15 ABA O 1 1
2 432 1 1 16 DHA C C 3.969 -0.489 5.783 1.00 . A A . 16 DHA C 1 1
2 433 1 1 16 DHA CA C 4.755 0.690 5.857 1.00 . A A . 16 DHA CA 1 1
2 434 1 1 16 DHA CB C 5.523 0.906 6.934 1.00 . A A . 16 DHA CB 1 1
2 435 1 1 16 DHA H H 4.291 2.488 4.908 1.00 . A A . 16 DHA H 1 1
2 436 1 1 16 DHA HB1 H 6.124 1.800 6.998 1.00 . A A . 16 DHA HB1 1 1
2 437 1 1 16 DHA HB2 H 5.537 0.186 7.740 1.00 . A A . 16 DHA HB2 1 1
2 438 1 1 16 DHA N N 4.747 1.615 4.842 1.00 . A A . 16 DHA N 1 1
2 439 1 1 16 DHA O O 3.838 -1.230 6.758 1.00 . A A . 16 DHA O 1 1
2 440 1 1 17 GLU C C 3.578 -3.086 3.929 1.00 . A A . 17 GLU C 1 1
2 441 1 1 17 GLU CA C 2.660 -1.954 4.366 1.00 . A A . 17 GLU CA 1 1
2 442 1 1 17 GLU CB C 1.606 -1.675 3.290 1.00 . A A . 17 GLU CB 1 1
2 443 1 1 17 GLU CD C 1.129 -0.795 0.959 1.00 . A A . 17 GLU CD 1 1
2 444 1 1 17 GLU CG C 2.192 -1.220 1.956 1.00 . A A . 17 GLU CG 1 1
2 445 1 1 17 GLU H H 3.598 -0.149 3.857 1.00 . A A . 17 GLU H 1 1
2 446 1 1 17 GLU HA H 2.168 -2.229 5.287 1.00 . A A . 17 GLU HA 1 1
2 447 1 1 17 GLU HB2 H 1.041 -2.573 3.120 1.00 . A A . 17 GLU HB2 1 1
2 448 1 1 17 GLU HB3 H 0.942 -0.903 3.646 1.00 . A A . 17 GLU HB3 1 1
2 449 1 1 17 GLU HG2 H 2.852 -0.384 2.134 1.00 . A A . 17 GLU HG2 1 1
2 450 1 1 17 GLU HG3 H 2.756 -2.035 1.530 1.00 . A A . 17 GLU HG3 1 1
2 451 1 1 17 GLU N N 3.439 -0.759 4.603 1.00 . A A . 17 GLU N 1 1
2 452 1 1 17 GLU O O 3.205 -4.261 3.960 1.00 . A A . 17 GLU O 1 1
2 453 1 1 17 GLU OE1 O 0.427 0.200 1.234 1.00 . A A . 17 GLU OE1 1 1
2 454 1 1 17 GLU OE2 O 0.992 -1.452 -0.098 1.00 . A A . 17 GLU OE2 1 1
2 455 1 1 18 CYS C C 7.090 -3.485 3.478 1.00 . A A . 18 CYS C 1 1
2 456 1 1 18 CYS CA C 5.695 -3.646 2.877 1.00 . A A . 18 CYS CA 1 1
2 457 1 1 18 CYS CB C 5.693 -3.474 1.360 1.00 . A A . 18 CYS CB 1 1
2 458 1 1 18 CYS H H 4.958 -1.744 3.411 1.00 . A A . 18 CYS H 1 1
2 459 1 1 18 CYS HA H 5.340 -4.639 3.110 1.00 . A A . 18 CYS HA 1 1
2 460 1 1 18 CYS HB2 H 5.849 -2.430 1.123 1.00 . A A . 18 CYS HB2 1 1
2 461 1 1 18 CYS HB3 H 6.485 -4.056 0.917 1.00 . A A . 18 CYS HB3 1 1
2 462 1 1 18 CYS N N 4.754 -2.701 3.449 1.00 . A A . 18 CYS N 1 1
2 463 1 1 18 CYS O O 7.528 -4.335 4.255 1.00 . A A . 18 CYS O 1 1
2 464 1 1 18 CYS SG S 4.139 -3.996 0.628 1.00 . A A . 18 CYS SG 1 1
2 465 1 1 19 ILE C C 9.074 -0.931 4.682 1.00 . A A . 19 ILE C 1 1
2 466 1 1 19 ILE CA C 9.087 -2.144 3.753 1.00 . A A . 19 ILE CA 1 1
2 467 1 1 19 ILE CB C 10.167 -1.956 2.658 1.00 . A A . 19 ILE CB 1 1
2 468 1 1 19 ILE CD1 C 11.305 -3.113 0.691 1.00 . A A . 19 ILE CD1 1 1
2 469 1 1 19 ILE CG1 C 10.259 -3.206 1.781 1.00 . A A . 19 ILE CG1 1 1
2 470 1 1 19 ILE CG2 C 11.525 -1.649 3.282 1.00 . A A . 19 ILE CG2 1 1
2 471 1 1 19 ILE H H 7.354 -1.691 2.617 1.00 . A A . 19 ILE H 1 1
2 472 1 1 19 ILE HA H 9.350 -3.018 4.334 1.00 . A A . 19 ILE HA 1 1
2 473 1 1 19 ILE HB H 9.884 -1.115 2.046 1.00 . A A . 19 ILE HB 1 1
2 474 1 1 19 ILE HD11 H 12.055 -3.876 0.846 1.00 . A A . 19 ILE HD11 1 1
2 475 1 1 19 ILE HD12 H 11.772 -2.140 0.720 1.00 . A A . 19 ILE HD12 1 1
2 476 1 1 19 ILE HD13 H 10.836 -3.259 -0.270 1.00 . A A . 19 ILE HD13 1 1
2 477 1 1 19 ILE HG12 H 10.504 -4.055 2.402 1.00 . A A . 19 ILE HG12 1 1
2 478 1 1 19 ILE HG13 H 9.302 -3.374 1.311 1.00 . A A . 19 ILE HG13 1 1
2 479 1 1 19 ILE HG21 H 11.405 -1.473 4.342 1.00 . A A . 19 ILE HG21 1 1
2 480 1 1 19 ILE HG22 H 11.943 -0.771 2.815 1.00 . A A . 19 ILE HG22 1 1
2 481 1 1 19 ILE HG23 H 12.189 -2.487 3.129 1.00 . A A . 19 ILE HG23 1 1
2 482 1 1 19 ILE N N 7.765 -2.380 3.184 1.00 . A A . 19 ILE N 1 1
2 483 1 1 19 ILE O O 9.017 -1.083 5.903 1.00 . A A . 19 ILE O 1 1
2 484 1 1 20 TEE CA C 9.149 1.386 4.889 1.00 . A A . 20 TEE CA 1 1
2 485 1 1 20 TEE CB C 8.299 2.464 4.602 1.00 . A A . 20 TEE CB 1 1
2 486 1 1 20 TEE HA H 8.140 1.005 4.942 1.00 . A A . 20 TEE HA 1 1
2 487 1 1 20 TEE HB2 H 7.886 2.576 3.610 1.00 . A A . 20 TEE HB2 1 1
2 488 1 1 20 TEE HN1 H 9.137 0.286 3.123 1.00 . A A . 20 TEE HN1 1 1
2 489 1 1 20 TEE N N 9.124 0.265 4.106 1.00 . A A . 20 TEE N 1 1
2 490 1 1 20 TEE SG S 7.306 3.954 4.413 1.00 . A A . 20 TEE SG 1 1
3 491 1 1 1 CYS C C -3.174 2.145 1.987 1.00 . A A . 1 CYS C 1 1
3 492 1 1 1 CYS CA C -2.091 1.527 2.863 1.00 . A A . 1 CYS CA 1 1
3 493 1 1 1 CYS CB C -2.406 1.751 4.338 1.00 . A A . 1 CYS CB 1 1
3 494 1 1 1 CYS H1 H -0.297 1.520 1.811 1.00 . A A . 1 CYS H1 1 1
3 495 1 1 1 CYS H2 H -0.163 2.073 3.412 1.00 . A A . 1 CYS H2 1 1
3 496 1 1 1 CYS H3 H -0.855 3.070 2.231 1.00 . A A . 1 CYS H3 1 1
3 497 1 1 1 CYS HA H -2.059 0.466 2.673 1.00 . A A . 1 CYS HA 1 1
3 498 1 1 1 CYS HB2 H -1.667 1.242 4.937 1.00 . A A . 1 CYS HB2 1 1
3 499 1 1 1 CYS HB3 H -2.365 2.809 4.548 1.00 . A A . 1 CYS HB3 1 1
3 500 1 1 1 CYS N N -0.762 2.089 2.557 1.00 . A A . 1 CYS N 1 1
3 501 1 1 1 CYS O O -3.073 3.309 1.593 1.00 . A A . 1 CYS O 1 1
3 502 1 1 1 CYS SG S -4.035 1.143 4.807 1.00 . A A . 1 CYS SG 1 1
3 503 1 1 2 ABA C C -3.239 -0.898 1.397 1.00 . A A . 2 ABA C 1 1
3 504 1 1 2 ABA CA C -4.316 -0.040 2.066 1.00 . A A . 2 ABA CA 1 1
3 505 1 1 2 ABA CB C -4.235 -0.189 3.605 1.00 . A A . 2 ABA CB 1 1
3 506 1 1 2 ABA CG C -5.626 -0.100 4.221 1.00 . A A . 2 ABA CG 1 1
3 507 1 1 2 ABA H H -4.908 1.735 1.079 1.00 . A A . 2 ABA H 1 1
3 508 1 1 2 ABA HA H -5.284 -0.398 1.745 1.00 . A A . 2 ABA HA 1 1
3 509 1 1 2 ABA HB3 H -3.828 -1.164 3.832 1.00 . A A . 2 ABA HB3 1 1
3 510 1 1 2 ABA HG1 H -5.797 -0.958 4.855 1.00 . A A . 2 ABA HG1 1 1
3 511 1 1 2 ABA HG2 H -6.367 -0.080 3.435 1.00 . A A . 2 ABA HG2 1 1
3 512 1 1 2 ABA HG3 H -5.704 0.802 4.809 1.00 . A A . 2 ABA HG3 1 1
3 513 1 1 2 ABA N N -4.200 1.361 1.646 1.00 . A A . 2 ABA N 1 1
3 514 1 1 2 ABA O O -2.647 -0.479 0.403 1.00 . A A . 2 ABA O 1 1
3 515 1 1 3 PHE C C -2.318 -3.350 -0.071 1.00 . A A . 3 PHE C 1 1
3 516 1 1 3 PHE CA C -1.996 -3.000 1.381 1.00 . A A . 3 PHE CA 1 1
3 517 1 1 3 PHE CB C -1.925 -4.275 2.229 1.00 . A A . 3 PHE CB 1 1
3 518 1 1 3 PHE CD1 C 0.221 -5.077 1.198 1.00 . A A . 3 PHE CD1 1 1
3 519 1 1 3 PHE CD2 C -1.540 -6.651 1.526 1.00 . A A . 3 PHE CD2 1 1
3 520 1 1 3 PHE CE1 C 1.007 -6.071 0.648 1.00 . A A . 3 PHE CE1 1 1
3 521 1 1 3 PHE CE2 C -0.757 -7.648 0.978 1.00 . A A . 3 PHE CE2 1 1
3 522 1 1 3 PHE CG C -1.062 -5.355 1.640 1.00 . A A . 3 PHE CG 1 1
3 523 1 1 3 PHE CZ C 0.519 -7.358 0.539 1.00 . A A . 3 PHE CZ 1 1
3 524 1 1 3 PHE H H -3.517 -2.375 2.718 1.00 . A A . 3 PHE H 1 1
3 525 1 1 3 PHE HA H -1.038 -2.502 1.414 1.00 . A A . 3 PHE HA 1 1
3 526 1 1 3 PHE HB2 H -1.530 -4.029 3.202 1.00 . A A . 3 PHE HB2 1 1
3 527 1 1 3 PHE HB3 H -2.922 -4.675 2.343 1.00 . A A . 3 PHE HB3 1 1
3 528 1 1 3 PHE HD1 H 0.604 -4.070 1.281 1.00 . A A . 3 PHE HD1 1 1
3 529 1 1 3 PHE HD2 H -2.537 -6.881 1.869 1.00 . A A . 3 PHE HD2 1 1
3 530 1 1 3 PHE HE1 H 2.005 -5.842 0.305 1.00 . A A . 3 PHE HE1 1 1
3 531 1 1 3 PHE HE2 H -1.141 -8.654 0.894 1.00 . A A . 3 PHE HE2 1 1
3 532 1 1 3 PHE HZ H 1.132 -8.137 0.110 1.00 . A A . 3 PHE HZ 1 1
3 533 1 1 3 PHE N N -2.996 -2.089 1.934 1.00 . A A . 3 PHE N 1 1
3 534 1 1 3 PHE O O -3.267 -4.086 -0.350 1.00 . A A . 3 PHE O 1 1
3 535 1 1 4 ABA C C -2.704 -2.004 -3.027 1.00 . A A . 4 ABA C 1 1
3 536 1 1 4 ABA CA C -1.776 -3.044 -2.412 1.00 . A A . 4 ABA CA 1 1
3 537 1 1 4 ABA CB C -0.454 -3.087 -3.208 1.00 . A A . 4 ABA CB 1 1
3 538 1 1 4 ABA CG C 0.153 -4.479 -3.161 1.00 . A A . 4 ABA CG 1 1
3 539 1 1 4 ABA H H -0.825 -2.177 -0.722 1.00 . A A . 4 ABA H 1 1
3 540 1 1 4 ABA HA H -2.247 -4.014 -2.494 1.00 . A A . 4 ABA HA 1 1
3 541 1 1 4 ABA HB3 H -0.669 -2.845 -4.241 1.00 . A A . 4 ABA HB3 1 1
3 542 1 1 4 ABA HG1 H -0.507 -5.176 -3.656 1.00 . A A . 4 ABA HG1 1 1
3 543 1 1 4 ABA HG2 H 0.288 -4.779 -2.131 1.00 . A A . 4 ABA HG2 1 1
3 544 1 1 4 ABA HG3 H 1.108 -4.470 -3.663 1.00 . A A . 4 ABA HG3 1 1
3 545 1 1 4 ABA N N -1.554 -2.786 -0.997 1.00 . A A . 4 ABA N 1 1
3 546 1 1 4 ABA O O -2.753 -1.846 -4.247 1.00 . A A . 4 ABA O 1 1
3 547 1 1 5 LEU C C -4.318 0.952 -1.983 1.00 . A A . 5 LEU C 1 1
3 548 1 1 5 LEU CA C -4.484 -0.399 -2.665 1.00 . A A . 5 LEU CA 1 1
3 549 1 1 5 LEU CB C -5.888 -0.948 -2.445 1.00 . A A . 5 LEU CB 1 1
3 550 1 1 5 LEU CD1 C -7.462 -2.868 -2.730 1.00 . A A . 5 LEU CD1 1 1
3 551 1 1 5 LEU CD2 C -6.247 -1.951 -4.706 1.00 . A A . 5 LEU CD2 1 1
3 552 1 1 5 LEU CG C -6.174 -2.231 -3.215 1.00 . A A . 5 LEU CG 1 1
3 553 1 1 5 LEU H H -3.437 -1.543 -1.228 1.00 . A A . 5 LEU H 1 1
3 554 1 1 5 LEU HA H -4.323 -0.268 -3.725 1.00 . A A . 5 LEU HA 1 1
3 555 1 1 5 LEU HB2 H -6.019 -1.142 -1.390 1.00 . A A . 5 LEU HB2 1 1
3 556 1 1 5 LEU HB3 H -6.601 -0.200 -2.753 1.00 . A A . 5 LEU HB3 1 1
3 557 1 1 5 LEU HD11 H -7.856 -2.298 -1.902 1.00 . A A . 5 LEU HD11 1 1
3 558 1 1 5 LEU HD12 H -7.263 -3.880 -2.410 1.00 . A A . 5 LEU HD12 1 1
3 559 1 1 5 LEU HD13 H -8.183 -2.880 -3.535 1.00 . A A . 5 LEU HD13 1 1
3 560 1 1 5 LEU HD21 H -5.401 -1.347 -5.001 1.00 . A A . 5 LEU HD21 1 1
3 561 1 1 5 LEU HD22 H -7.162 -1.423 -4.929 1.00 . A A . 5 LEU HD22 1 1
3 562 1 1 5 LEU HD23 H -6.231 -2.886 -5.248 1.00 . A A . 5 LEU HD23 1 1
3 563 1 1 5 LEU HG H -5.363 -2.924 -3.046 1.00 . A A . 5 LEU HG 1 1
3 564 1 1 5 LEU N N -3.498 -1.355 -2.189 1.00 . A A . 5 LEU N 1 1
3 565 1 1 5 LEU O O -4.957 1.239 -0.972 1.00 . A A . 5 LEU O 1 1
3 566 1 1 6 PRO C C -4.447 3.990 -1.940 1.00 . A A . 6 PRO C 1 1
3 567 1 1 6 PRO CA C -3.182 3.151 -2.073 1.00 . A A . 6 PRO CA 1 1
3 568 1 1 6 PRO CB C -2.264 3.732 -3.149 1.00 . A A . 6 PRO CB 1 1
3 569 1 1 6 PRO CD C -2.712 1.491 -3.787 1.00 . A A . 6 PRO CD 1 1
3 570 1 1 6 PRO CG C -1.648 2.544 -3.800 1.00 . A A . 6 PRO CG 1 1
3 571 1 1 6 PRO HA H -2.662 3.130 -1.128 1.00 . A A . 6 PRO HA 1 1
3 572 1 1 6 PRO HB2 H -2.849 4.309 -3.846 1.00 . A A . 6 PRO HB2 1 1
3 573 1 1 6 PRO HB3 H -1.515 4.361 -2.691 1.00 . A A . 6 PRO HB3 1 1
3 574 1 1 6 PRO HD2 H -3.335 1.584 -4.653 1.00 . A A . 6 PRO HD2 1 1
3 575 1 1 6 PRO HD3 H -2.284 0.496 -3.735 1.00 . A A . 6 PRO HD3 1 1
3 576 1 1 6 PRO HG2 H -1.365 2.781 -4.814 1.00 . A A . 6 PRO HG2 1 1
3 577 1 1 6 PRO HG3 H -0.790 2.217 -3.232 1.00 . A A . 6 PRO HG3 1 1
3 578 1 1 6 PRO N N -3.465 1.796 -2.567 1.00 . A A . 6 PRO N 1 1
3 579 1 1 6 PRO O O -5.085 4.338 -2.938 1.00 . A A . 6 PRO O 1 1
3 580 1 1 7 GLY C C -5.959 6.158 0.348 1.00 . A A . 7 GLY C 1 1
3 581 1 1 7 GLY CA C -6.128 4.887 -0.462 1.00 . A A . 7 GLY CA 1 1
3 582 1 1 7 GLY H H -4.380 3.805 0.043 1.00 . A A . 7 GLY H 1 1
3 583 1 1 7 GLY HA2 H -6.574 5.141 -1.412 1.00 . A A . 7 GLY HA2 1 1
3 584 1 1 7 GLY HA3 H -6.793 4.223 0.068 1.00 . A A . 7 GLY HA3 1 1
3 585 1 1 7 GLY N N -4.878 4.197 -0.706 1.00 . A A . 7 GLY N 1 1
3 586 1 1 7 GLY O O -6.881 6.585 1.041 1.00 . A A . 7 GLY O 1 1
3 587 1 1 8 GLY C C -3.484 7.961 1.962 1.00 . A A . 8 GLY C 1 1
3 588 1 1 8 GLY CA C -4.574 8.045 0.914 1.00 . A A . 8 GLY CA 1 1
3 589 1 1 8 GLY H H -4.106 6.420 -0.363 1.00 . A A . 8 GLY H 1 1
3 590 1 1 8 GLY HA2 H -4.299 8.793 0.187 1.00 . A A . 8 GLY HA2 1 1
3 591 1 1 8 GLY HA3 H -5.493 8.350 1.393 1.00 . A A . 8 GLY HA3 1 1
3 592 1 1 8 GLY N N -4.800 6.788 0.228 1.00 . A A . 8 GLY N 1 1
3 593 1 1 8 GLY O O -3.477 8.736 2.917 1.00 . A A . 8 GLY O 1 1
3 594 1 1 9 GLY C C -0.526 5.774 2.368 1.00 . A A . 9 GLY C 1 1
3 595 1 1 9 GLY CA C -1.435 6.937 2.697 1.00 . A A . 9 GLY CA 1 1
3 596 1 1 9 GLY H H -2.571 6.487 0.966 1.00 . A A . 9 GLY H 1 1
3 597 1 1 9 GLY HA2 H -0.859 7.850 2.674 1.00 . A A . 9 GLY HA2 1 1
3 598 1 1 9 GLY HA3 H -1.833 6.799 3.693 1.00 . A A . 9 GLY HA3 1 1
3 599 1 1 9 GLY N N -2.539 7.057 1.767 1.00 . A A . 9 GLY N 1 1
3 600 1 1 9 GLY O O -0.553 4.746 3.040 1.00 . A A . 9 GLY O 1 1
3 601 1 1 10 GLY C C 0.795 4.362 -0.476 1.00 . A A . 10 GLY C 1 1
3 602 1 1 10 GLY CA C 1.147 4.865 0.898 1.00 . A A . 10 GLY CA 1 1
3 603 1 1 10 GLY H H 0.188 6.743 0.772 1.00 . A A . 10 GLY H 1 1
3 604 1 1 10 GLY HA2 H 2.161 5.239 0.889 1.00 . A A . 10 GLY HA2 1 1
3 605 1 1 10 GLY HA3 H 1.076 4.048 1.601 1.00 . A A . 10 GLY HA3 1 1
3 606 1 1 10 GLY N N 0.256 5.923 1.312 1.00 . A A . 10 GLY N 1 1
3 607 1 1 10 GLY O O -0.368 4.403 -0.868 1.00 . A A . 10 GLY O 1 1
3 608 1 1 11 VAL C C 1.653 1.769 -2.419 1.00 . A A . 11 VAL C 1 1
3 609 1 1 11 VAL CA C 1.535 3.287 -2.504 1.00 . A A . 11 VAL CA 1 1
3 610 1 1 11 VAL CB C 2.526 3.840 -3.557 1.00 . A A . 11 VAL CB 1 1
3 611 1 1 11 VAL CG1 C 2.008 3.612 -4.970 1.00 . A A . 11 VAL CG1 1 1
3 612 1 1 11 VAL CG2 C 2.795 5.318 -3.321 1.00 . A A . 11 VAL CG2 1 1
3 613 1 1 11 VAL H H 2.671 3.759 -0.788 1.00 . A A . 11 VAL H 1 1
3 614 1 1 11 VAL HA H 0.529 3.552 -2.797 1.00 . A A . 11 VAL HA 1 1
3 615 1 1 11 VAL HB H 3.460 3.308 -3.456 1.00 . A A . 11 VAL HB 1 1
3 616 1 1 11 VAL HG11 H 1.858 2.555 -5.134 1.00 . A A . 11 VAL HG11 1 1
3 617 1 1 11 VAL HG12 H 2.726 3.989 -5.683 1.00 . A A . 11 VAL HG12 1 1
3 618 1 1 11 VAL HG13 H 1.069 4.132 -5.096 1.00 . A A . 11 VAL HG13 1 1
3 619 1 1 11 VAL HG21 H 2.487 5.883 -4.188 1.00 . A A . 11 VAL HG21 1 1
3 620 1 1 11 VAL HG22 H 3.851 5.469 -3.150 1.00 . A A . 11 VAL HG22 1 1
3 621 1 1 11 VAL HG23 H 2.239 5.652 -2.458 1.00 . A A . 11 VAL HG23 1 1
3 622 1 1 11 VAL N N 1.776 3.842 -1.188 1.00 . A A . 11 VAL N 1 1
3 623 1 1 11 VAL O O 2.072 1.251 -1.389 1.00 . A A . 11 VAL O 1 1
3 624 1 1 12 CYS C C 2.551 -0.986 -3.177 1.00 . A A . 12 CYS C 1 1
3 625 1 1 12 CYS CA C 1.158 -0.397 -3.398 1.00 . A A . 12 CYS CA 1 1
3 626 1 1 12 CYS CB C 0.568 -0.966 -4.683 1.00 . A A . 12 CYS CB 1 1
3 627 1 1 12 CYS H H 0.804 1.524 -4.209 1.00 . A A . 12 CYS H 1 1
3 628 1 1 12 CYS HA H 0.519 -0.678 -2.573 1.00 . A A . 12 CYS HA 1 1
3 629 1 1 12 CYS HB2 H -0.438 -0.594 -4.806 1.00 . A A . 12 CYS HB2 1 1
3 630 1 1 12 CYS HB3 H 1.173 -0.638 -5.515 1.00 . A A . 12 CYS HB3 1 1
3 631 1 1 12 CYS N N 1.190 1.060 -3.439 1.00 . A A . 12 CYS N 1 1
3 632 1 1 12 CYS O O 3.356 -1.078 -4.104 1.00 . A A . 12 CYS O 1 1
3 633 1 1 12 CYS SG S 0.513 -2.768 -4.701 1.00 . A A . 12 CYS SG 1 1
3 634 1 1 13 ABA C C 5.102 -0.906 -1.159 1.00 . A A . 13 ABA C 1 1
3 635 1 1 13 ABA CA C 4.104 -1.973 -1.590 1.00 . A A . 13 ABA CA 1 1
3 636 1 1 13 ABA CB C 3.921 -3.003 -0.475 1.00 . A A . 13 ABA CB 1 1
3 637 1 1 13 ABA CG C 3.465 -4.331 -1.057 1.00 . A A . 13 ABA CG 1 1
3 638 1 1 13 ABA H H 2.129 -1.283 -1.247 1.00 . A A . 13 ABA H 1 1
3 639 1 1 13 ABA HA H 4.496 -2.487 -2.456 1.00 . A A . 13 ABA HA 1 1
3 640 1 1 13 ABA HB3 H 3.153 -2.645 0.196 1.00 . A A . 13 ABA HB3 1 1
3 641 1 1 13 ABA HG1 H 2.912 -4.153 -1.967 1.00 . A A . 13 ABA HG1 1 1
3 642 1 1 13 ABA HG2 H 2.831 -4.838 -0.343 1.00 . A A . 13 ABA HG2 1 1
3 643 1 1 13 ABA HG3 H 4.327 -4.945 -1.273 1.00 . A A . 13 ABA HG3 1 1
3 644 1 1 13 ABA N N 2.824 -1.381 -1.946 1.00 . A A . 13 ABA N 1 1
3 645 1 1 13 ABA O O 6.242 -1.205 -0.801 1.00 . A A . 13 ABA O 1 1
3 646 1 1 14 LEU C C 5.078 2.198 0.286 1.00 . A A . 14 LEU C 1 1
3 647 1 1 14 LEU CA C 5.550 1.472 -0.963 1.00 . A A . 14 LEU CA 1 1
3 648 1 1 14 LEU CB C 5.577 2.437 -2.146 1.00 . A A . 14 LEU CB 1 1
3 649 1 1 14 LEU CD1 C 5.818 2.849 -4.602 1.00 . A A . 14 LEU CD1 1 1
3 650 1 1 14 LEU CD2 C 7.123 1.020 -3.527 1.00 . A A . 14 LEU CD2 1 1
3 651 1 1 14 LEU CG C 5.812 1.790 -3.515 1.00 . A A . 14 LEU CG 1 1
3 652 1 1 14 LEU H H 3.762 0.517 -1.556 1.00 . A A . 14 LEU H 1 1
3 653 1 1 14 LEU HA H 6.548 1.092 -0.792 1.00 . A A . 14 LEU HA 1 1
3 654 1 1 14 LEU HB2 H 4.634 2.963 -2.173 1.00 . A A . 14 LEU HB2 1 1
3 655 1 1 14 LEU HB3 H 6.363 3.157 -1.976 1.00 . A A . 14 LEU HB3 1 1
3 656 1 1 14 LEU HD11 H 4.956 2.719 -5.239 1.00 . A A . 14 LEU HD11 1 1
3 657 1 1 14 LEU HD12 H 6.719 2.754 -5.190 1.00 . A A . 14 LEU HD12 1 1
3 658 1 1 14 LEU HD13 H 5.787 3.828 -4.148 1.00 . A A . 14 LEU HD13 1 1
3 659 1 1 14 LEU HD21 H 7.096 0.251 -2.769 1.00 . A A . 14 LEU HD21 1 1
3 660 1 1 14 LEU HD22 H 7.940 1.697 -3.326 1.00 . A A . 14 LEU HD22 1 1
3 661 1 1 14 LEU HD23 H 7.264 0.564 -4.496 1.00 . A A . 14 LEU HD23 1 1
3 662 1 1 14 LEU HG H 5.007 1.095 -3.725 1.00 . A A . 14 LEU HG 1 1
3 663 1 1 14 LEU N N 4.682 0.344 -1.252 1.00 . A A . 14 LEU N 1 1
3 664 1 1 14 LEU O O 4.118 2.971 0.249 1.00 . A A . 14 LEU O 1 1
3 665 1 1 15 ABA C C 5.403 1.397 3.753 1.00 . A A . 15 ABA C 1 1
3 666 1 1 15 ABA CA C 5.347 2.472 2.676 1.00 . A A . 15 ABA CA 1 1
3 667 1 1 15 ABA CB C 6.262 3.667 3.033 1.00 . A A . 15 ABA CB 1 1
3 668 1 1 15 ABA CG C 5.581 4.943 2.559 1.00 . A A . 15 ABA CG 1 1
3 669 1 1 15 ABA H H 6.443 1.233 1.371 1.00 . A A . 15 ABA H 1 1
3 670 1 1 15 ABA HA H 4.330 2.833 2.594 1.00 . A A . 15 ABA HA 1 1
3 671 1 1 15 ABA HB3 H 6.355 3.713 4.110 1.00 . A A . 15 ABA HB3 1 1
3 672 1 1 15 ABA HG1 H 6.169 5.797 2.857 1.00 . A A . 15 ABA HG1 1 1
3 673 1 1 15 ABA HG2 H 4.597 5.012 2.997 1.00 . A A . 15 ABA HG2 1 1
3 674 1 1 15 ABA HG3 H 5.493 4.925 1.479 1.00 . A A . 15 ABA HG3 1 1
3 675 1 1 15 ABA N N 5.717 1.898 1.399 1.00 . A A . 15 ABA N 1 1
3 676 1 1 15 ABA O O 5.950 0.317 3.518 1.00 . A A . 15 ABA O 1 1
3 677 1 1 16 DHA C C 3.896 -0.488 5.743 1.00 . A A . 16 DHA C 1 1
3 678 1 1 16 DHA CA C 4.702 0.676 5.863 1.00 . A A . 16 DHA CA 1 1
3 679 1 1 16 DHA CB C 5.453 0.838 6.962 1.00 . A A . 16 DHA CB 1 1
3 680 1 1 16 DHA H H 4.264 2.495 4.940 1.00 . A A . 16 DHA H 1 1
3 681 1 1 16 DHA HB1 H 6.074 1.717 7.067 1.00 . A A . 16 DHA HB1 1 1
3 682 1 1 16 DHA HB2 H 5.436 0.094 7.743 1.00 . A A . 16 DHA HB2 1 1
3 683 1 1 16 DHA N N 4.737 1.632 4.876 1.00 . A A . 16 DHA N 1 1
3 684 1 1 16 DHA O O 3.501 -1.089 6.745 1.00 . A A . 16 DHA O 1 1
3 685 1 1 17 GLU C C 3.711 -3.191 3.704 1.00 . A A . 17 GLU C 1 1
3 686 1 1 17 GLU CA C 2.825 -2.071 4.248 1.00 . A A . 17 GLU CA 1 1
3 687 1 1 17 GLU CB C 1.704 -1.746 3.258 1.00 . A A . 17 GLU CB 1 1
3 688 1 1 17 GLU CD C 1.044 -0.853 0.991 1.00 . A A . 17 GLU CD 1 1
3 689 1 1 17 GLU CG C 2.188 -1.216 1.917 1.00 . A A . 17 GLU CG 1 1
3 690 1 1 17 GLU H H 3.944 -0.367 3.753 1.00 . A A . 17 GLU H 1 1
3 691 1 1 17 GLU HA H 2.388 -2.392 5.184 1.00 . A A . 17 GLU HA 1 1
3 692 1 1 17 GLU HB2 H 1.146 -2.642 3.076 1.00 . A A . 17 GLU HB2 1 1
3 693 1 1 17 GLU HB3 H 1.051 -1.008 3.700 1.00 . A A . 17 GLU HB3 1 1
3 694 1 1 17 GLU HG2 H 2.787 -0.334 2.087 1.00 . A A . 17 GLU HG2 1 1
3 695 1 1 17 GLU HG3 H 2.789 -1.975 1.442 1.00 . A A . 17 GLU HG3 1 1
3 696 1 1 17 GLU N N 3.617 -0.888 4.510 1.00 . A A . 17 GLU N 1 1
3 697 1 1 17 GLU O O 3.330 -4.361 3.714 1.00 . A A . 17 GLU O 1 1
3 698 1 1 17 GLU OE1 O 0.302 0.099 1.306 1.00 . A A . 17 GLU OE1 1 1
3 699 1 1 17 GLU OE2 O 0.882 -1.525 -0.053 1.00 . A A . 17 GLU OE2 1 1
3 700 1 1 18 CYS C C 7.271 -3.522 3.351 1.00 . A A . 18 CYS C 1 1
3 701 1 1 18 CYS CA C 5.886 -3.794 2.776 1.00 . A A . 18 CYS CA 1 1
3 702 1 1 18 CYS CB C 5.921 -3.769 1.246 1.00 . A A . 18 CYS CB 1 1
3 703 1 1 18 CYS H H 5.179 -1.884 3.350 1.00 . A A . 18 CYS H 1 1
3 704 1 1 18 CYS HA H 5.565 -4.773 3.101 1.00 . A A . 18 CYS HA 1 1
3 705 1 1 18 CYS HB2 H 6.039 -2.746 0.918 1.00 . A A . 18 CYS HB2 1 1
3 706 1 1 18 CYS HB3 H 6.761 -4.345 0.896 1.00 . A A . 18 CYS HB3 1 1
3 707 1 1 18 CYS N N 4.917 -2.825 3.277 1.00 . A A . 18 CYS N 1 1
3 708 1 1 18 CYS O O 7.821 -4.346 4.083 1.00 . A A . 18 CYS O 1 1
3 709 1 1 18 CYS SG S 4.430 -4.428 0.490 1.00 . A A . 18 CYS SG 1 1
3 710 1 1 19 ILE C C 9.018 -0.793 4.502 1.00 . A A . 19 ILE C 1 1
3 711 1 1 19 ILE CA C 9.135 -1.985 3.557 1.00 . A A . 19 ILE CA 1 1
3 712 1 1 19 ILE CB C 10.118 -1.650 2.413 1.00 . A A . 19 ILE CB 1 1
3 713 1 1 19 ILE CD1 C 11.040 -2.517 0.197 1.00 . A A . 19 ILE CD1 1 1
3 714 1 1 19 ILE CG1 C 10.170 -2.802 1.399 1.00 . A A . 19 ILE CG1 1 1
3 715 1 1 19 ILE CG2 C 11.510 -1.369 2.973 1.00 . A A . 19 ILE CG2 1 1
3 716 1 1 19 ILE H H 7.331 -1.718 2.481 1.00 . A A . 19 ILE H 1 1
3 717 1 1 19 ILE HA H 9.526 -2.828 4.108 1.00 . A A . 19 ILE HA 1 1
3 718 1 1 19 ILE HB H 9.769 -0.758 1.917 1.00 . A A . 19 ILE HB 1 1
3 719 1 1 19 ILE HD11 H 12.078 -2.556 0.488 1.00 . A A . 19 ILE HD11 1 1
3 720 1 1 19 ILE HD12 H 10.810 -1.536 -0.187 1.00 . A A . 19 ILE HD12 1 1
3 721 1 1 19 ILE HD13 H 10.853 -3.258 -0.569 1.00 . A A . 19 ILE HD13 1 1
3 722 1 1 19 ILE HG12 H 10.561 -3.684 1.886 1.00 . A A . 19 ILE HG12 1 1
3 723 1 1 19 ILE HG13 H 9.170 -3.008 1.046 1.00 . A A . 19 ILE HG13 1 1
3 724 1 1 19 ILE HG21 H 11.931 -2.283 3.363 1.00 . A A . 19 ILE HG21 1 1
3 725 1 1 19 ILE HG22 H 11.437 -0.639 3.768 1.00 . A A . 19 ILE HG22 1 1
3 726 1 1 19 ILE HG23 H 12.143 -0.984 2.188 1.00 . A A . 19 ILE HG23 1 1
3 727 1 1 19 ILE N N 7.822 -2.354 3.048 1.00 . A A . 19 ILE N 1 1
3 728 1 1 19 ILE O O 9.009 -0.957 5.722 1.00 . A A . 19 ILE O 1 1
3 729 1 1 20 TEE CA C 8.739 1.498 4.742 1.00 . A A . 20 TEE CA 1 1
3 730 1 1 20 TEE CB C 8.761 2.788 4.186 1.00 . A A . 20 TEE CB 1 1
3 731 1 1 20 TEE HA H 7.718 1.182 4.901 1.00 . A A . 20 TEE HA 1 1
3 732 1 1 20 TEE HB2 H 9.551 3.476 4.449 1.00 . A A . 20 TEE HB2 1 1
3 733 1 1 20 TEE HN1 H 8.848 0.430 2.960 1.00 . A A . 20 TEE HN1 1 1
3 734 1 1 20 TEE N N 8.874 0.397 3.941 1.00 . A A . 20 TEE N 1 1
3 735 1 1 20 TEE SG S 7.561 4.133 4.199 1.00 . A A . 20 TEE SG 1 1
4 736 1 1 1 CYS C C -3.123 2.161 2.079 1.00 . A A . 1 CYS C 1 1
4 737 1 1 1 CYS CA C -2.051 1.512 2.942 1.00 . A A . 1 CYS CA 1 1
4 738 1 1 1 CYS CB C -2.380 1.701 4.418 1.00 . A A . 1 CYS CB 1 1
4 739 1 1 1 CYS H1 H -0.227 1.473 1.948 1.00 . A A . 1 CYS H1 1 1
4 740 1 1 1 CYS H2 H -0.144 2.117 3.518 1.00 . A A . 1 CYS H2 1 1
4 741 1 1 1 CYS H3 H -0.812 3.033 2.259 1.00 . A A . 1 CYS H3 1 1
4 742 1 1 1 CYS HA H -2.027 0.456 2.722 1.00 . A A . 1 CYS HA 1 1
4 743 1 1 1 CYS HB2 H -1.683 1.126 5.010 1.00 . A A . 1 CYS HB2 1 1
4 744 1 1 1 CYS HB3 H -2.280 2.748 4.669 1.00 . A A . 1 CYS HB3 1 1
4 745 1 1 1 CYS N N -0.718 2.074 2.648 1.00 . A A . 1 CYS N 1 1
4 746 1 1 1 CYS O O -3.004 3.335 1.725 1.00 . A A . 1 CYS O 1 1
4 747 1 1 1 CYS SG S -4.052 1.174 4.825 1.00 . A A . 1 CYS SG 1 1
4 748 1 1 2 ABA C C -3.217 -0.875 1.459 1.00 . A A . 2 ABA C 1 1
4 749 1 1 2 ABA CA C -4.297 -0.009 2.107 1.00 . A A . 2 ABA CA 1 1
4 750 1 1 2 ABA CB C -4.250 -0.183 3.646 1.00 . A A . 2 ABA CB 1 1
4 751 1 1 2 ABA CG C -5.640 -0.046 4.247 1.00 . A A . 2 ABA CG 1 1
4 752 1 1 2 ABA H H -4.849 1.791 1.136 1.00 . A A . 2 ABA H 1 1
4 753 1 1 2 ABA HA H -5.262 -0.351 1.759 1.00 . A A . 2 ABA HA 1 1
4 754 1 1 2 ABA HB3 H -3.892 -1.178 3.864 1.00 . A A . 2 ABA HB3 1 1
4 755 1 1 2 ABA HG1 H -6.279 -0.823 3.857 1.00 . A A . 2 ABA HG1 1 1
4 756 1 1 2 ABA HG2 H -6.050 0.920 3.992 1.00 . A A . 2 ABA HG2 1 1
4 757 1 1 2 ABA HG3 H -5.577 -0.138 5.320 1.00 . A A . 2 ABA HG3 1 1
4 758 1 1 2 ABA N N -4.157 1.397 1.712 1.00 . A A . 2 ABA N 1 1
4 759 1 1 2 ABA O O -2.599 -0.469 0.476 1.00 . A A . 2 ABA O 1 1
4 760 1 1 3 PHE C C -2.269 -3.390 0.089 1.00 . A A . 3 PHE C 1 1
4 761 1 1 3 PHE CA C -1.968 -2.964 1.526 1.00 . A A . 3 PHE CA 1 1
4 762 1 1 3 PHE CB C -1.888 -4.197 2.433 1.00 . A A . 3 PHE CB 1 1
4 763 1 1 3 PHE CD1 C 0.435 -4.827 1.717 1.00 . A A . 3 PHE CD1 1 1
4 764 1 1 3 PHE CD2 C -1.202 -6.554 1.880 1.00 . A A . 3 PHE CD2 1 1
4 765 1 1 3 PHE CE1 C 1.377 -5.754 1.318 1.00 . A A . 3 PHE CE1 1 1
4 766 1 1 3 PHE CE2 C -0.261 -7.484 1.484 1.00 . A A . 3 PHE CE2 1 1
4 767 1 1 3 PHE CG C -0.865 -5.215 2.003 1.00 . A A . 3 PHE CG 1 1
4 768 1 1 3 PHE CZ C 1.014 -7.106 1.220 1.00 . A A . 3 PHE CZ 1 1
4 769 1 1 3 PHE H H -3.526 -2.316 2.799 1.00 . A A . 3 PHE H 1 1
4 770 1 1 3 PHE HA H -1.020 -2.448 1.547 1.00 . A A . 3 PHE HA 1 1
4 771 1 1 3 PHE HB2 H -1.638 -3.880 3.435 1.00 . A A . 3 PHE HB2 1 1
4 772 1 1 3 PHE HB3 H -2.853 -4.683 2.448 1.00 . A A . 3 PHE HB3 1 1
4 773 1 1 3 PHE HD1 H 0.709 -3.788 1.813 1.00 . A A . 3 PHE HD1 1 1
4 774 1 1 3 PHE HD2 H -2.212 -6.871 2.102 1.00 . A A . 3 PHE HD2 1 1
4 775 1 1 3 PHE HE1 H 2.386 -5.438 1.096 1.00 . A A . 3 PHE HE1 1 1
4 776 1 1 3 PHE HE2 H -0.532 -8.525 1.395 1.00 . A A . 3 PHE HE2 1 1
4 777 1 1 3 PHE HZ H 1.746 -7.842 0.920 1.00 . A A . 3 PHE HZ 1 1
4 778 1 1 3 PHE N N -2.988 -2.049 2.025 1.00 . A A . 3 PHE N 1 1
4 779 1 1 3 PHE O O -3.139 -4.227 -0.152 1.00 . A A . 3 PHE O 1 1
4 780 1 1 4 ABA C C -2.679 -2.154 -2.963 1.00 . A A . 4 ABA C 1 1
4 781 1 1 4 ABA CA C -1.751 -3.142 -2.266 1.00 . A A . 4 ABA CA 1 1
4 782 1 1 4 ABA CB C -0.419 -3.195 -3.030 1.00 . A A . 4 ABA CB 1 1
4 783 1 1 4 ABA CG C 0.620 -3.981 -2.246 1.00 . A A . 4 ABA CG 1 1
4 784 1 1 4 ABA H H -0.874 -2.133 -0.617 1.00 . A A . 4 ABA H 1 1
4 785 1 1 4 ABA HA H -2.193 -4.118 -2.312 1.00 . A A . 4 ABA HA 1 1
4 786 1 1 4 ABA HB3 H -0.066 -2.190 -3.139 1.00 . A A . 4 ABA HB3 1 1
4 787 1 1 4 ABA HG1 H 1.092 -3.332 -1.523 1.00 . A A . 4 ABA HG1 1 1
4 788 1 1 4 ABA HG2 H 1.367 -4.365 -2.925 1.00 . A A . 4 ABA HG2 1 1
4 789 1 1 4 ABA HG3 H 0.140 -4.803 -1.734 1.00 . A A . 4 ABA HG3 1 1
4 790 1 1 4 ABA N N -1.561 -2.800 -0.865 1.00 . A A . 4 ABA N 1 1
4 791 1 1 4 ABA O O -2.772 -2.134 -4.192 1.00 . A A . 4 ABA O 1 1
4 792 1 1 5 LEU C C -3.992 1.014 -2.175 1.00 . A A . 5 LEU C 1 1
4 793 1 1 5 LEU CA C -4.296 -0.368 -2.723 1.00 . A A . 5 LEU CA 1 1
4 794 1 1 5 LEU CB C -5.736 -0.762 -2.436 1.00 . A A . 5 LEU CB 1 1
4 795 1 1 5 LEU CD1 C -7.614 -2.368 -2.825 1.00 . A A . 5 LEU CD1 1 1
4 796 1 1 5 LEU CD2 C -6.228 -1.573 -4.743 1.00 . A A . 5 LEU CD2 1 1
4 797 1 1 5 LEU CG C -6.229 -1.940 -3.269 1.00 . A A . 5 LEU CG 1 1
4 798 1 1 5 LEU H H -3.261 -1.411 -1.203 1.00 . A A . 5 LEU H 1 1
4 799 1 1 5 LEU HA H -4.148 -0.349 -3.792 1.00 . A A . 5 LEU HA 1 1
4 800 1 1 5 LEU HB2 H -5.820 -1.019 -1.390 1.00 . A A . 5 LEU HB2 1 1
4 801 1 1 5 LEU HB3 H -6.372 0.086 -2.637 1.00 . A A . 5 LEU HB3 1 1
4 802 1 1 5 LEU HD11 H -7.556 -2.806 -1.839 1.00 . A A . 5 LEU HD11 1 1
4 803 1 1 5 LEU HD12 H -8.008 -3.094 -3.521 1.00 . A A . 5 LEU HD12 1 1
4 804 1 1 5 LEU HD13 H -8.264 -1.506 -2.796 1.00 . A A . 5 LEU HD13 1 1
4 805 1 1 5 LEU HD21 H -5.337 -1.001 -4.970 1.00 . A A . 5 LEU HD21 1 1
4 806 1 1 5 LEU HD22 H -7.105 -0.980 -4.965 1.00 . A A . 5 LEU HD22 1 1
4 807 1 1 5 LEU HD23 H -6.240 -2.475 -5.340 1.00 . A A . 5 LEU HD23 1 1
4 808 1 1 5 LEU HG H -5.555 -2.772 -3.135 1.00 . A A . 5 LEU HG 1 1
4 809 1 1 5 LEU N N -3.380 -1.355 -2.178 1.00 . A A . 5 LEU N 1 1
4 810 1 1 5 LEU O O -4.455 1.387 -1.099 1.00 . A A . 5 LEU O 1 1
4 811 1 1 6 PRO C C -3.849 4.100 -2.419 1.00 . A A . 6 PRO C 1 1
4 812 1 1 6 PRO CA C -2.705 3.094 -2.503 1.00 . A A . 6 PRO CA 1 1
4 813 1 1 6 PRO CB C -1.724 3.501 -3.613 1.00 . A A . 6 PRO CB 1 1
4 814 1 1 6 PRO CD C -2.524 1.308 -4.146 1.00 . A A . 6 PRO CD 1 1
4 815 1 1 6 PRO CG C -1.994 2.577 -4.748 1.00 . A A . 6 PRO CG 1 1
4 816 1 1 6 PRO HA H -2.184 3.072 -1.555 1.00 . A A . 6 PRO HA 1 1
4 817 1 1 6 PRO HB2 H -1.901 4.530 -3.893 1.00 . A A . 6 PRO HB2 1 1
4 818 1 1 6 PRO HB3 H -0.711 3.395 -3.253 1.00 . A A . 6 PRO HB3 1 1
4 819 1 1 6 PRO HD2 H -3.255 0.851 -4.798 1.00 . A A . 6 PRO HD2 1 1
4 820 1 1 6 PRO HD3 H -1.717 0.619 -3.945 1.00 . A A . 6 PRO HD3 1 1
4 821 1 1 6 PRO HG2 H -2.726 3.010 -5.408 1.00 . A A . 6 PRO HG2 1 1
4 822 1 1 6 PRO HG3 H -1.078 2.379 -5.287 1.00 . A A . 6 PRO HG3 1 1
4 823 1 1 6 PRO N N -3.150 1.756 -2.897 1.00 . A A . 6 PRO N 1 1
4 824 1 1 6 PRO O O -4.139 4.810 -3.385 1.00 . A A . 6 PRO O 1 1
4 825 1 1 7 GLY C C -4.993 6.515 -0.807 1.00 . A A . 7 GLY C 1 1
4 826 1 1 7 GLY CA C -5.548 5.127 -1.048 1.00 . A A . 7 GLY CA 1 1
4 827 1 1 7 GLY H H -4.216 3.570 -0.530 1.00 . A A . 7 GLY H 1 1
4 828 1 1 7 GLY HA2 H -6.184 5.146 -1.921 1.00 . A A . 7 GLY HA2 1 1
4 829 1 1 7 GLY HA3 H -6.135 4.827 -0.190 1.00 . A A . 7 GLY HA3 1 1
4 830 1 1 7 GLY N N -4.487 4.165 -1.258 1.00 . A A . 7 GLY N 1 1
4 831 1 1 7 GLY O O -4.680 7.241 -1.752 1.00 . A A . 7 GLY O 1 1
4 832 1 1 8 GLY C C -3.120 7.941 1.893 1.00 . A A . 8 GLY C 1 1
4 833 1 1 8 GLY CA C -4.149 8.102 0.795 1.00 . A A . 8 GLY CA 1 1
4 834 1 1 8 GLY H H -4.984 6.190 1.163 1.00 . A A . 8 GLY H 1 1
4 835 1 1 8 GLY HA2 H -3.668 8.502 -0.083 1.00 . A A . 8 GLY HA2 1 1
4 836 1 1 8 GLY HA3 H -4.912 8.792 1.125 1.00 . A A . 8 GLY HA3 1 1
4 837 1 1 8 GLY N N -4.772 6.840 0.454 1.00 . A A . 8 GLY N 1 1
4 838 1 1 8 GLY O O -2.722 8.917 2.532 1.00 . A A . 8 GLY O 1 1
4 839 1 1 9 GLY C C -0.581 5.613 2.723 1.00 . A A . 9 GLY C 1 1
4 840 1 1 9 GLY CA C -1.761 6.435 3.195 1.00 . A A . 9 GLY CA 1 1
4 841 1 1 9 GLY H H -3.070 5.964 1.603 1.00 . A A . 9 GLY H 1 1
4 842 1 1 9 GLY HA2 H -1.397 7.376 3.582 1.00 . A A . 9 GLY HA2 1 1
4 843 1 1 9 GLY HA3 H -2.263 5.902 3.988 1.00 . A A . 9 GLY HA3 1 1
4 844 1 1 9 GLY N N -2.711 6.704 2.138 1.00 . A A . 9 GLY N 1 1
4 845 1 1 9 GLY O O -0.098 4.742 3.448 1.00 . A A . 9 GLY O 1 1
4 846 1 1 10 GLY C C 0.585 4.486 -0.412 1.00 . A A . 10 GLY C 1 1
4 847 1 1 10 GLY CA C 0.936 5.070 0.935 1.00 . A A . 10 GLY CA 1 1
4 848 1 1 10 GLY H H -0.626 6.494 0.922 1.00 . A A . 10 GLY H 1 1
4 849 1 1 10 GLY HA2 H 1.797 5.712 0.826 1.00 . A A . 10 GLY HA2 1 1
4 850 1 1 10 GLY HA3 H 1.181 4.267 1.614 1.00 . A A . 10 GLY HA3 1 1
4 851 1 1 10 GLY N N -0.157 5.836 1.489 1.00 . A A . 10 GLY N 1 1
4 852 1 1 10 GLY O O -0.574 4.530 -0.825 1.00 . A A . 10 GLY O 1 1
4 853 1 1 11 VAL C C 1.563 1.816 -2.298 1.00 . A A . 11 VAL C 1 1
4 854 1 1 11 VAL CA C 1.360 3.323 -2.394 1.00 . A A . 11 VAL CA 1 1
4 855 1 1 11 VAL CB C 2.321 3.907 -3.459 1.00 . A A . 11 VAL CB 1 1
4 856 1 1 11 VAL CG1 C 1.849 3.575 -4.867 1.00 . A A . 11 VAL CG1 1 1
4 857 1 1 11 VAL CG2 C 2.474 5.410 -3.288 1.00 . A A . 11 VAL CG2 1 1
4 858 1 1 11 VAL H H 2.465 3.875 -0.683 1.00 . A A . 11 VAL H 1 1
4 859 1 1 11 VAL HA H 0.339 3.531 -2.695 1.00 . A A . 11 VAL HA 1 1
4 860 1 1 11 VAL HB H 3.291 3.454 -3.318 1.00 . A A . 11 VAL HB 1 1
4 861 1 1 11 VAL HG11 H 1.742 4.487 -5.437 1.00 . A A . 11 VAL HG11 1 1
4 862 1 1 11 VAL HG12 H 0.896 3.069 -4.816 1.00 . A A . 11 VAL HG12 1 1
4 863 1 1 11 VAL HG13 H 2.570 2.934 -5.347 1.00 . A A . 11 VAL HG13 1 1
4 864 1 1 11 VAL HG21 H 3.513 5.678 -3.394 1.00 . A A . 11 VAL HG21 1 1
4 865 1 1 11 VAL HG22 H 2.127 5.699 -2.307 1.00 . A A . 11 VAL HG22 1 1
4 866 1 1 11 VAL HG23 H 1.892 5.919 -4.043 1.00 . A A . 11 VAL HG23 1 1
4 867 1 1 11 VAL N N 1.574 3.926 -1.089 1.00 . A A . 11 VAL N 1 1
4 868 1 1 11 VAL O O 2.161 1.337 -1.336 1.00 . A A . 11 VAL O 1 1
4 869 1 1 12 CYS C C 2.567 -0.851 -3.225 1.00 . A A . 12 CYS C 1 1
4 870 1 1 12 CYS CA C 1.118 -0.381 -3.253 1.00 . A A . 12 CYS CA 1 1
4 871 1 1 12 CYS CB C 0.431 -0.965 -4.481 1.00 . A A . 12 CYS CB 1 1
4 872 1 1 12 CYS H H 0.547 1.517 -3.990 1.00 . A A . 12 CYS H 1 1
4 873 1 1 12 CYS HA H 0.614 -0.732 -2.368 1.00 . A A . 12 CYS HA 1 1
4 874 1 1 12 CYS HB2 H -0.597 -0.637 -4.499 1.00 . A A . 12 CYS HB2 1 1
4 875 1 1 12 CYS HB3 H 0.938 -0.587 -5.358 1.00 . A A . 12 CYS HB3 1 1
4 876 1 1 12 CYS N N 1.029 1.075 -3.261 1.00 . A A . 12 CYS N 1 1
4 877 1 1 12 CYS O O 3.315 -0.658 -4.184 1.00 . A A . 12 CYS O 1 1
4 878 1 1 12 CYS SG S 0.451 -2.771 -4.553 1.00 . A A . 12 CYS SG 1 1
4 879 1 1 13 ABA C C 5.235 -0.902 -1.401 1.00 . A A . 13 ABA C 1 1
4 880 1 1 13 ABA CA C 4.311 -1.967 -1.977 1.00 . A A . 13 ABA CA 1 1
4 881 1 1 13 ABA CB C 4.326 -3.226 -1.109 1.00 . A A . 13 ABA CB 1 1
4 882 1 1 13 ABA CG C 4.978 -4.375 -1.858 1.00 . A A . 13 ABA CG 1 1
4 883 1 1 13 ABA H H 2.321 -1.561 -1.372 1.00 . A A . 13 ABA H 1 1
4 884 1 1 13 ABA HA H 4.674 -2.241 -2.952 1.00 . A A . 13 ABA HA 1 1
4 885 1 1 13 ABA HB3 H 3.304 -3.502 -0.894 1.00 . A A . 13 ABA HB3 1 1
4 886 1 1 13 ABA HG1 H 5.434 -4.003 -2.762 1.00 . A A . 13 ABA HG1 1 1
4 887 1 1 13 ABA HG2 H 4.229 -5.115 -2.111 1.00 . A A . 13 ABA HG2 1 1
4 888 1 1 13 ABA HG3 H 5.734 -4.824 -1.234 1.00 . A A . 13 ABA HG3 1 1
4 889 1 1 13 ABA N N 2.961 -1.455 -2.119 1.00 . A A . 13 ABA N 1 1
4 890 1 1 13 ABA O O 6.402 -1.163 -1.098 1.00 . A A . 13 ABA O 1 1
4 891 1 1 14 LEU C C 5.058 2.157 0.209 1.00 . A A . 14 LEU C 1 1
4 892 1 1 14 LEU CA C 5.555 1.496 -1.069 1.00 . A A . 14 LEU CA 1 1
4 893 1 1 14 LEU CB C 5.515 2.516 -2.213 1.00 . A A . 14 LEU CB 1 1
4 894 1 1 14 LEU CD1 C 5.622 3.054 -4.658 1.00 . A A . 14 LEU CD1 1 1
4 895 1 1 14 LEU CD2 C 7.040 1.219 -3.729 1.00 . A A . 14 LEU CD2 1 1
4 896 1 1 14 LEU CG C 5.705 1.942 -3.624 1.00 . A A . 14 LEU CG 1 1
4 897 1 1 14 LEU H H 3.832 0.477 -1.741 1.00 . A A . 14 LEU H 1 1
4 898 1 1 14 LEU HA H 6.575 1.165 -0.924 1.00 . A A . 14 LEU HA 1 1
4 899 1 1 14 LEU HB2 H 4.561 3.023 -2.180 1.00 . A A . 14 LEU HB2 1 1
4 900 1 1 14 LEU HB3 H 6.294 3.246 -2.039 1.00 . A A . 14 LEU HB3 1 1
4 901 1 1 14 LEU HD11 H 6.045 2.712 -5.590 1.00 . A A . 14 LEU HD11 1 1
4 902 1 1 14 LEU HD12 H 6.173 3.916 -4.307 1.00 . A A . 14 LEU HD12 1 1
4 903 1 1 14 LEU HD13 H 4.589 3.326 -4.812 1.00 . A A . 14 LEU HD13 1 1
4 904 1 1 14 LEU HD21 H 7.273 0.755 -2.782 1.00 . A A . 14 LEU HD21 1 1
4 905 1 1 14 LEU HD22 H 7.817 1.929 -3.983 1.00 . A A . 14 LEU HD22 1 1
4 906 1 1 14 LEU HD23 H 6.981 0.461 -4.495 1.00 . A A . 14 LEU HD23 1 1
4 907 1 1 14 LEU HG H 4.912 1.227 -3.835 1.00 . A A . 14 LEU HG 1 1
4 908 1 1 14 LEU N N 4.746 0.333 -1.408 1.00 . A A . 14 LEU N 1 1
4 909 1 1 14 LEU O O 4.107 2.943 0.189 1.00 . A A . 14 LEU O 1 1
4 910 1 1 15 ABA C C 5.336 1.401 3.685 1.00 . A A . 15 ABA C 1 1
4 911 1 1 15 ABA CA C 5.360 2.455 2.587 1.00 . A A . 15 ABA CA 1 1
4 912 1 1 15 ABA CB C 6.334 3.588 2.962 1.00 . A A . 15 ABA CB 1 1
4 913 1 1 15 ABA CG C 5.839 4.890 2.352 1.00 . A A . 15 ABA CG 1 1
4 914 1 1 15 ABA H H 6.474 1.233 1.271 1.00 . A A . 15 ABA H 1 1
4 915 1 1 15 ABA HA H 4.371 2.882 2.488 1.00 . A A . 15 ABA HA 1 1
4 916 1 1 15 ABA HB3 H 6.328 3.694 4.035 1.00 . A A . 15 ABA HB3 1 1
4 917 1 1 15 ABA HG1 H 6.571 5.262 1.651 1.00 . A A . 15 ABA HG1 1 1
4 918 1 1 15 ABA HG2 H 5.686 5.618 3.133 1.00 . A A . 15 ABA HG2 1 1
4 919 1 1 15 ABA HG3 H 4.905 4.713 1.836 1.00 . A A . 15 ABA HG3 1 1
4 920 1 1 15 ABA N N 5.716 1.862 1.313 1.00 . A A . 15 ABA N 1 1
4 921 1 1 15 ABA O O 5.924 0.327 3.532 1.00 . A A . 15 ABA O 1 1
4 922 1 1 16 DHA C C 3.799 -0.384 5.736 1.00 . A A . 16 DHA C 1 1
4 923 1 1 16 DHA CA C 4.558 0.809 5.821 1.00 . A A . 16 DHA CA 1 1
4 924 1 1 16 DHA CB C 5.229 1.081 6.947 1.00 . A A . 16 DHA CB 1 1
4 925 1 1 16 DHA H H 4.155 2.562 4.768 1.00 . A A . 16 DHA H 1 1
4 926 1 1 16 DHA HB1 H 5.812 1.986 7.025 1.00 . A A . 16 DHA HB1 1 1
4 927 1 1 16 DHA HB2 H 5.186 0.393 7.779 1.00 . A A . 16 DHA HB2 1 1
4 928 1 1 16 DHA N N 4.621 1.695 4.770 1.00 . A A . 16 DHA N 1 1
4 929 1 1 16 DHA O O 3.542 -1.049 6.741 1.00 . A A . 16 DHA O 1 1
4 930 1 1 17 GLU C C 3.611 -3.060 3.813 1.00 . A A . 17 GLU C 1 1
4 931 1 1 17 GLU CA C 2.670 -1.955 4.277 1.00 . A A . 17 GLU CA 1 1
4 932 1 1 17 GLU CB C 1.600 -1.689 3.217 1.00 . A A . 17 GLU CB 1 1
4 933 1 1 17 GLU CD C 1.102 -0.796 0.906 1.00 . A A . 17 GLU CD 1 1
4 934 1 1 17 GLU CG C 2.167 -1.292 1.862 1.00 . A A . 17 GLU CG 1 1
4 935 1 1 17 GLU H H 3.654 -0.175 3.765 1.00 . A A . 17 GLU H 1 1
4 936 1 1 17 GLU HA H 2.195 -2.255 5.198 1.00 . A A . 17 GLU HA 1 1
4 937 1 1 17 GLU HB2 H 1.020 -2.583 3.085 1.00 . A A . 17 GLU HB2 1 1
4 938 1 1 17 GLU HB3 H 0.952 -0.896 3.560 1.00 . A A . 17 GLU HB3 1 1
4 939 1 1 17 GLU HG2 H 2.892 -0.506 2.008 1.00 . A A . 17 GLU HG2 1 1
4 940 1 1 17 GLU HG3 H 2.654 -2.152 1.422 1.00 . A A . 17 GLU HG3 1 1
4 941 1 1 17 GLU N N 3.420 -0.742 4.523 1.00 . A A . 17 GLU N 1 1
4 942 1 1 17 GLU O O 3.269 -4.242 3.838 1.00 . A A . 17 GLU O 1 1
4 943 1 1 17 GLU OE1 O 0.496 0.259 1.191 1.00 . A A . 17 GLU OE1 1 1
4 944 1 1 17 GLU OE2 O 0.880 -1.452 -0.135 1.00 . A A . 17 GLU OE2 1 1
4 945 1 1 18 CYS C C 7.122 -3.415 3.341 1.00 . A A . 18 CYS C 1 1
4 946 1 1 18 CYS CA C 5.726 -3.590 2.758 1.00 . A A . 18 CYS CA 1 1
4 947 1 1 18 CYS CB C 5.725 -3.405 1.245 1.00 . A A . 18 CYS CB 1 1
4 948 1 1 18 CYS H H 4.982 -1.699 3.322 1.00 . A A . 18 CYS H 1 1
4 949 1 1 18 CYS HA H 5.379 -4.587 2.983 1.00 . A A . 18 CYS HA 1 1
4 950 1 1 18 CYS HB2 H 5.805 -2.351 1.022 1.00 . A A . 18 CYS HB2 1 1
4 951 1 1 18 CYS HB3 H 6.563 -3.923 0.805 1.00 . A A . 18 CYS HB3 1 1
4 952 1 1 18 CYS N N 4.778 -2.657 3.335 1.00 . A A . 18 CYS N 1 1
4 953 1 1 18 CYS O O 7.610 -4.286 4.063 1.00 . A A . 18 CYS O 1 1
4 954 1 1 18 CYS SG S 4.224 -4.032 0.485 1.00 . A A . 18 CYS SG 1 1
4 955 1 1 19 ILE C C 9.109 -0.973 4.574 1.00 . A A . 19 ILE C 1 1
4 956 1 1 19 ILE CA C 9.115 -2.042 3.490 1.00 . A A . 19 ILE CA 1 1
4 957 1 1 19 ILE CB C 10.041 -1.596 2.335 1.00 . A A . 19 ILE CB 1 1
4 958 1 1 19 ILE CD1 C 10.672 -2.120 -0.079 1.00 . A A . 19 ILE CD1 1 1
4 959 1 1 19 ILE CG1 C 9.913 -2.562 1.154 1.00 . A A . 19 ILE CG1 1 1
4 960 1 1 19 ILE CG2 C 11.489 -1.535 2.805 1.00 . A A . 19 ILE CG2 1 1
4 961 1 1 19 ILE H H 7.324 -1.636 2.449 1.00 . A A . 19 ILE H 1 1
4 962 1 1 19 ILE HA H 9.507 -2.961 3.903 1.00 . A A . 19 ILE HA 1 1
4 963 1 1 19 ILE HB H 9.744 -0.606 2.020 1.00 . A A . 19 ILE HB 1 1
4 964 1 1 19 ILE HD11 H 11.216 -1.211 0.138 1.00 . A A . 19 ILE HD11 1 1
4 965 1 1 19 ILE HD12 H 9.974 -1.937 -0.882 1.00 . A A . 19 ILE HD12 1 1
4 966 1 1 19 ILE HD13 H 11.365 -2.893 -0.372 1.00 . A A . 19 ILE HD13 1 1
4 967 1 1 19 ILE HG12 H 10.298 -3.527 1.452 1.00 . A A . 19 ILE HG12 1 1
4 968 1 1 19 ILE HG13 H 8.871 -2.662 0.889 1.00 . A A . 19 ILE HG13 1 1
4 969 1 1 19 ILE HG21 H 11.689 -2.367 3.464 1.00 . A A . 19 ILE HG21 1 1
4 970 1 1 19 ILE HG22 H 11.654 -0.608 3.335 1.00 . A A . 19 ILE HG22 1 1
4 971 1 1 19 ILE HG23 H 12.147 -1.582 1.951 1.00 . A A . 19 ILE HG23 1 1
4 972 1 1 19 ILE N N 7.765 -2.300 3.021 1.00 . A A . 19 ILE N 1 1
4 973 1 1 19 ILE O O 9.218 -1.280 5.760 1.00 . A A . 19 ILE O 1 1
4 974 1 1 20 TEE CA C 8.932 1.286 5.088 1.00 . A A . 20 TEE CA 1 1
4 975 1 1 20 TEE CB C 8.193 2.454 4.836 1.00 . A A . 20 TEE CB 1 1
4 976 1 1 20 TEE HA H 7.969 0.858 5.332 1.00 . A A . 20 TEE HA 1 1
4 977 1 1 20 TEE HB2 H 7.523 2.495 3.998 1.00 . A A . 20 TEE HB2 1 1
4 978 1 1 20 TEE HN1 H 8.849 0.416 3.199 1.00 . A A . 20 TEE HN1 1 1
4 979 1 1 20 TEE N N 8.953 0.276 4.164 1.00 . A A . 20 TEE N 1 1
4 980 1 1 20 TEE SG S 7.279 3.962 4.457 1.00 . A A . 20 TEE SG 1 1
5 981 1 1 1 CYS C C -2.983 2.311 1.728 1.00 . A A . 1 CYS C 1 1
5 982 1 1 1 CYS CA C -1.714 1.771 2.392 1.00 . A A . 1 CYS CA 1 1
5 983 1 1 1 CYS CB C -1.801 1.877 3.914 1.00 . A A . 1 CYS CB 1 1
5 984 1 1 1 CYS H1 H -0.801 3.097 1.094 1.00 . A A . 1 CYS H1 1 1
5 985 1 1 1 CYS H2 H 0.218 1.853 1.628 1.00 . A A . 1 CYS H2 1 1
5 986 1 1 1 CYS H3 H -0.172 3.143 2.666 1.00 . A A . 1 CYS H3 1 1
5 987 1 1 1 CYS HA H -1.592 0.733 2.113 1.00 . A A . 1 CYS HA 1 1
5 988 1 1 1 CYS HB2 H -0.815 2.066 4.310 1.00 . A A . 1 CYS HB2 1 1
5 989 1 1 1 CYS HB3 H -2.450 2.701 4.173 1.00 . A A . 1 CYS HB3 1 1
5 990 1 1 1 CYS N N -0.537 2.519 1.914 1.00 . A A . 1 CYS N 1 1
5 991 1 1 1 CYS O O -2.983 3.448 1.249 1.00 . A A . 1 CYS O 1 1
5 992 1 1 1 CYS SG S -2.446 0.380 4.682 1.00 . A A . 1 CYS SG 1 1
5 993 1 1 2 ABA C C -3.026 -0.780 1.416 1.00 . A A . 2 ABA C 1 1
5 994 1 1 2 ABA CA C -4.068 0.114 2.091 1.00 . A A . 2 ABA CA 1 1
5 995 1 1 2 ABA CB C -3.876 0.092 3.625 1.00 . A A . 2 ABA CB 1 1
5 996 1 1 2 ABA CG C -5.163 0.497 4.330 1.00 . A A . 2 ABA CG 1 1
5 997 1 1 2 ABA H H -4.837 1.832 1.136 1.00 . A A . 2 ABA H 1 1
5 998 1 1 2 ABA HA H -5.050 -0.284 1.873 1.00 . A A . 2 ABA HA 1 1
5 999 1 1 2 ABA HB3 H -3.637 -0.918 3.920 1.00 . A A . 2 ABA HB3 1 1
5 1000 1 1 2 ABA HG1 H -6.011 0.197 3.733 1.00 . A A . 2 ABA HG1 1 1
5 1001 1 1 2 ABA HG2 H -5.178 1.569 4.463 1.00 . A A . 2 ABA HG2 1 1
5 1002 1 1 2 ABA HG3 H -5.210 0.014 5.294 1.00 . A A . 2 ABA HG3 1 1
5 1003 1 1 2 ABA N N -4.029 1.483 1.576 1.00 . A A . 2 ABA N 1 1
5 1004 1 1 2 ABA O O -2.471 -0.421 0.376 1.00 . A A . 2 ABA O 1 1
5 1005 1 1 3 PHE C C -2.153 -3.342 0.086 1.00 . A A . 3 PHE C 1 1
5 1006 1 1 3 PHE CA C -1.791 -2.890 1.498 1.00 . A A . 3 PHE CA 1 1
5 1007 1 1 3 PHE CB C -1.709 -4.103 2.433 1.00 . A A . 3 PHE CB 1 1
5 1008 1 1 3 PHE CD1 C 0.574 -4.826 1.683 1.00 . A A . 3 PHE CD1 1 1
5 1009 1 1 3 PHE CD2 C -1.129 -6.482 1.869 1.00 . A A . 3 PHE CD2 1 1
5 1010 1 1 3 PHE CE1 C 1.473 -5.789 1.270 1.00 . A A . 3 PHE CE1 1 1
5 1011 1 1 3 PHE CE2 C -0.234 -7.450 1.456 1.00 . A A . 3 PHE CE2 1 1
5 1012 1 1 3 PHE CG C -0.736 -5.160 1.987 1.00 . A A . 3 PHE CG 1 1
5 1013 1 1 3 PHE CZ C 1.054 -7.123 1.172 1.00 . A A . 3 PHE CZ 1 1
5 1014 1 1 3 PHE H H -3.271 -2.168 2.825 1.00 . A A . 3 PHE H 1 1
5 1015 1 1 3 PHE HA H -0.829 -2.400 1.474 1.00 . A A . 3 PHE HA 1 1
5 1016 1 1 3 PHE HB2 H -1.409 -3.770 3.414 1.00 . A A . 3 PHE HB2 1 1
5 1017 1 1 3 PHE HB3 H -2.686 -4.559 2.497 1.00 . A A . 3 PHE HB3 1 1
5 1018 1 1 3 PHE HD1 H 0.894 -3.799 1.775 1.00 . A A . 3 PHE HD1 1 1
5 1019 1 1 3 PHE HD2 H -2.147 -6.756 2.103 1.00 . A A . 3 PHE HD2 1 1
5 1020 1 1 3 PHE HE1 H 2.492 -5.515 1.037 1.00 . A A . 3 PHE HE1 1 1
5 1021 1 1 3 PHE HE2 H -0.552 -8.479 1.367 1.00 . A A . 3 PHE HE2 1 1
5 1022 1 1 3 PHE HZ H 1.749 -7.888 0.856 1.00 . A A . 3 PHE HZ 1 1
5 1023 1 1 3 PHE N N -2.770 -1.937 2.015 1.00 . A A . 3 PHE N 1 1
5 1024 1 1 3 PHE O O -3.030 -4.186 -0.097 1.00 . A A . 3 PHE O 1 1
5 1025 1 1 4 ABA C C -2.681 -2.232 -2.985 1.00 . A A . 4 ABA C 1 1
5 1026 1 1 4 ABA CA C -1.706 -3.176 -2.291 1.00 . A A . 4 ABA CA 1 1
5 1027 1 1 4 ABA CB C -0.393 -3.212 -3.095 1.00 . A A . 4 ABA CB 1 1
5 1028 1 1 4 ABA CG C 0.175 -4.621 -3.120 1.00 . A A . 4 ABA CG 1 1
5 1029 1 1 4 ABA H H -0.753 -2.142 -0.696 1.00 . A A . 4 ABA H 1 1
5 1030 1 1 4 ABA HA H -2.126 -4.170 -2.291 1.00 . A A . 4 ABA HA 1 1
5 1031 1 1 4 ABA HB3 H -0.610 -2.917 -4.111 1.00 . A A . 4 ABA HB3 1 1
5 1032 1 1 4 ABA HG1 H -0.519 -5.283 -3.616 1.00 . A A . 4 ABA HG1 1 1
5 1033 1 1 4 ABA HG2 H 0.335 -4.959 -2.107 1.00 . A A . 4 ABA HG2 1 1
5 1034 1 1 4 ABA HG3 H 1.115 -4.621 -3.652 1.00 . A A . 4 ABA HG3 1 1
5 1035 1 1 4 ABA N N -1.471 -2.789 -0.906 1.00 . A A . 4 ABA N 1 1
5 1036 1 1 4 ABA O O -2.896 -2.332 -4.195 1.00 . A A . 4 ABA O 1 1
5 1037 1 1 5 LEU C C -3.862 1.051 -2.414 1.00 . A A . 5 LEU C 1 1
5 1038 1 1 5 LEU CA C -4.219 -0.375 -2.794 1.00 . A A . 5 LEU CA 1 1
5 1039 1 1 5 LEU CB C -5.644 -0.707 -2.362 1.00 . A A . 5 LEU CB 1 1
5 1040 1 1 5 LEU CD1 C -7.622 -2.244 -2.518 1.00 . A A . 5 LEU CD1 1 1
5 1041 1 1 5 LEU CD2 C -6.359 -1.610 -4.579 1.00 . A A . 5 LEU CD2 1 1
5 1042 1 1 5 LEU CG C -6.257 -1.901 -3.091 1.00 . A A . 5 LEU CG 1 1
5 1043 1 1 5 LEU H H -3.067 -1.284 -1.268 1.00 . A A . 5 LEU H 1 1
5 1044 1 1 5 LEU HA H -4.158 -0.465 -3.868 1.00 . A A . 5 LEU HA 1 1
5 1045 1 1 5 LEU HB2 H -5.638 -0.917 -1.302 1.00 . A A . 5 LEU HB2 1 1
5 1046 1 1 5 LEU HB3 H -6.266 0.156 -2.541 1.00 . A A . 5 LEU HB3 1 1
5 1047 1 1 5 LEU HD11 H -7.620 -3.266 -2.170 1.00 . A A . 5 LEU HD11 1 1
5 1048 1 1 5 LEU HD12 H -8.374 -2.128 -3.286 1.00 . A A . 5 LEU HD12 1 1
5 1049 1 1 5 LEU HD13 H -7.845 -1.582 -1.693 1.00 . A A . 5 LEU HD13 1 1
5 1050 1 1 5 LEU HD21 H -6.514 -2.534 -5.117 1.00 . A A . 5 LEU HD21 1 1
5 1051 1 1 5 LEU HD22 H -5.442 -1.146 -4.916 1.00 . A A . 5 LEU HD22 1 1
5 1052 1 1 5 LEU HD23 H -7.188 -0.943 -4.759 1.00 . A A . 5 LEU HD23 1 1
5 1053 1 1 5 LEU HG H -5.613 -2.756 -2.963 1.00 . A A . 5 LEU HG 1 1
5 1054 1 1 5 LEU N N -3.276 -1.325 -2.228 1.00 . A A . 5 LEU N 1 1
5 1055 1 1 5 LEU O O -4.221 1.529 -1.340 1.00 . A A . 5 LEU O 1 1
5 1056 1 1 6 PRO C C -3.861 4.075 -3.007 1.00 . A A . 6 PRO C 1 1
5 1057 1 1 6 PRO CA C -2.678 3.112 -3.082 1.00 . A A . 6 PRO CA 1 1
5 1058 1 1 6 PRO CB C -1.813 3.419 -4.312 1.00 . A A . 6 PRO CB 1 1
5 1059 1 1 6 PRO CD C -2.608 1.173 -4.553 1.00 . A A . 6 PRO CD 1 1
5 1060 1 1 6 PRO CG C -2.168 2.383 -5.323 1.00 . A A . 6 PRO CG 1 1
5 1061 1 1 6 PRO HA H -2.082 3.211 -2.187 1.00 . A A . 6 PRO HA 1 1
5 1062 1 1 6 PRO HB2 H -2.037 4.411 -4.673 1.00 . A A . 6 PRO HB2 1 1
5 1063 1 1 6 PRO HB3 H -0.769 3.359 -4.041 1.00 . A A . 6 PRO HB3 1 1
5 1064 1 1 6 PRO HD2 H -3.394 0.657 -5.076 1.00 . A A . 6 PRO HD2 1 1
5 1065 1 1 6 PRO HD3 H -1.773 0.512 -4.379 1.00 . A A . 6 PRO HD3 1 1
5 1066 1 1 6 PRO HG2 H -2.971 2.742 -5.944 1.00 . A A . 6 PRO HG2 1 1
5 1067 1 1 6 PRO HG3 H -1.303 2.149 -5.926 1.00 . A A . 6 PRO HG3 1 1
5 1068 1 1 6 PRO N N -3.105 1.726 -3.287 1.00 . A A . 6 PRO N 1 1
5 1069 1 1 6 PRO O O -4.366 4.538 -4.034 1.00 . A A . 6 PRO O 1 1
5 1070 1 1 7 GLY C C -5.142 6.589 -1.322 1.00 . A A . 7 GLY C 1 1
5 1071 1 1 7 GLY CA C -5.505 5.150 -1.616 1.00 . A A . 7 GLY CA 1 1
5 1072 1 1 7 GLY H H -3.945 3.854 -1.026 1.00 . A A . 7 GLY H 1 1
5 1073 1 1 7 GLY HA2 H -6.102 5.117 -2.515 1.00 . A A . 7 GLY HA2 1 1
5 1074 1 1 7 GLY HA3 H -6.089 4.761 -0.795 1.00 . A A . 7 GLY HA3 1 1
5 1075 1 1 7 GLY N N -4.342 4.310 -1.797 1.00 . A A . 7 GLY N 1 1
5 1076 1 1 7 GLY O O -4.986 7.396 -2.240 1.00 . A A . 7 GLY O 1 1
5 1077 1 1 8 GLY C C -3.537 8.355 1.290 1.00 . A A . 8 GLY C 1 1
5 1078 1 1 8 GLY CA C -4.711 8.280 0.339 1.00 . A A . 8 GLY CA 1 1
5 1079 1 1 8 GLY H H -5.185 6.238 0.652 1.00 . A A . 8 GLY H 1 1
5 1080 1 1 8 GLY HA2 H -4.474 8.846 -0.549 1.00 . A A . 8 GLY HA2 1 1
5 1081 1 1 8 GLY HA3 H -5.574 8.721 0.815 1.00 . A A . 8 GLY HA3 1 1
5 1082 1 1 8 GLY N N -5.032 6.922 -0.044 1.00 . A A . 8 GLY N 1 1
5 1083 1 1 8 GLY O O -3.719 8.371 2.509 1.00 . A A . 8 GLY O 1 1
5 1084 1 1 9 GLY C C -0.274 7.327 1.495 1.00 . A A . 9 GLY C 1 1
5 1085 1 1 9 GLY CA C -1.153 8.556 1.565 1.00 . A A . 9 GLY CA 1 1
5 1086 1 1 9 GLY H H -2.255 8.443 -0.240 1.00 . A A . 9 GLY H 1 1
5 1087 1 1 9 GLY HA2 H -0.584 9.414 1.238 1.00 . A A . 9 GLY HA2 1 1
5 1088 1 1 9 GLY HA3 H -1.458 8.709 2.590 1.00 . A A . 9 GLY HA3 1 1
5 1089 1 1 9 GLY N N -2.337 8.434 0.739 1.00 . A A . 9 GLY N 1 1
5 1090 1 1 9 GLY O O 0.380 6.968 2.472 1.00 . A A . 9 GLY O 1 1
5 1091 1 1 10 GLY C C 0.326 4.837 -1.173 1.00 . A A . 10 GLY C 1 1
5 1092 1 1 10 GLY CA C 0.504 5.458 0.192 1.00 . A A . 10 GLY CA 1 1
5 1093 1 1 10 GLY H H -0.841 6.981 -0.391 1.00 . A A . 10 GLY H 1 1
5 1094 1 1 10 GLY HA2 H 1.546 5.702 0.333 1.00 . A A . 10 GLY HA2 1 1
5 1095 1 1 10 GLY HA3 H 0.207 4.740 0.944 1.00 . A A . 10 GLY HA3 1 1
5 1096 1 1 10 GLY N N -0.285 6.660 0.353 1.00 . A A . 10 GLY N 1 1
5 1097 1 1 10 GLY O O -0.705 5.032 -1.816 1.00 . A A . 10 GLY O 1 1
5 1098 1 1 11 VAL C C 1.514 1.901 -2.659 1.00 . A A . 11 VAL C 1 1
5 1099 1 1 11 VAL CA C 1.273 3.390 -2.888 1.00 . A A . 11 VAL CA 1 1
5 1100 1 1 11 VAL CB C 2.317 3.937 -3.890 1.00 . A A . 11 VAL CB 1 1
5 1101 1 1 11 VAL CG1 C 2.064 3.400 -5.291 1.00 . A A . 11 VAL CG1 1 1
5 1102 1 1 11 VAL CG2 C 2.319 5.459 -3.898 1.00 . A A . 11 VAL CG2 1 1
5 1103 1 1 11 VAL H H 2.112 3.963 -1.036 1.00 . A A . 11 VAL H 1 1
5 1104 1 1 11 VAL HA H 0.283 3.524 -3.309 1.00 . A A . 11 VAL HA 1 1
5 1105 1 1 11 VAL HB H 3.295 3.601 -3.575 1.00 . A A . 11 VAL HB 1 1
5 1106 1 1 11 VAL HG11 H 1.307 4.002 -5.776 1.00 . A A . 11 VAL HG11 1 1
5 1107 1 1 11 VAL HG12 H 1.724 2.377 -5.227 1.00 . A A . 11 VAL HG12 1 1
5 1108 1 1 11 VAL HG13 H 2.980 3.441 -5.863 1.00 . A A . 11 VAL HG13 1 1
5 1109 1 1 11 VAL HG21 H 1.705 5.823 -3.086 1.00 . A A . 11 VAL HG21 1 1
5 1110 1 1 11 VAL HG22 H 1.922 5.813 -4.837 1.00 . A A . 11 VAL HG22 1 1
5 1111 1 1 11 VAL HG23 H 3.330 5.818 -3.775 1.00 . A A . 11 VAL HG23 1 1
5 1112 1 1 11 VAL N N 1.327 4.088 -1.610 1.00 . A A . 11 VAL N 1 1
5 1113 1 1 11 VAL O O 2.098 1.522 -1.644 1.00 . A A . 11 VAL O 1 1
5 1114 1 1 12 CYS C C 2.468 -0.880 -3.169 1.00 . A A . 12 CYS C 1 1
5 1115 1 1 12 CYS CA C 1.044 -0.382 -3.403 1.00 . A A . 12 CYS CA 1 1
5 1116 1 1 12 CYS CB C 0.483 -1.063 -4.647 1.00 . A A . 12 CYS CB 1 1
5 1117 1 1 12 CYS H H 0.480 1.447 -4.299 1.00 . A A . 12 CYS H 1 1
5 1118 1 1 12 CYS HA H 0.432 -0.649 -2.557 1.00 . A A . 12 CYS HA 1 1
5 1119 1 1 12 CYS HB2 H -0.550 -0.774 -4.771 1.00 . A A . 12 CYS HB2 1 1
5 1120 1 1 12 CYS HB3 H 1.051 -0.726 -5.504 1.00 . A A . 12 CYS HB3 1 1
5 1121 1 1 12 CYS N N 0.983 1.071 -3.549 1.00 . A A . 12 CYS N 1 1
5 1122 1 1 12 CYS O O 3.284 -0.924 -4.089 1.00 . A A . 12 CYS O 1 1
5 1123 1 1 12 CYS SG S 0.563 -2.865 -4.588 1.00 . A A . 12 CYS SG 1 1
5 1124 1 1 13 ABA C C 5.011 -0.825 -1.162 1.00 . A A . 13 ABA C 1 1
5 1125 1 1 13 ABA CA C 4.025 -1.893 -1.606 1.00 . A A . 13 ABA CA 1 1
5 1126 1 1 13 ABA CB C 3.859 -2.947 -0.507 1.00 . A A . 13 ABA CB 1 1
5 1127 1 1 13 ABA CG C 3.439 -4.276 -1.114 1.00 . A A . 13 ABA CG 1 1
5 1128 1 1 13 ABA H H 2.025 -1.288 -1.264 1.00 . A A . 13 ABA H 1 1
5 1129 1 1 13 ABA HA H 4.421 -2.387 -2.478 1.00 . A A . 13 ABA HA 1 1
5 1130 1 1 13 ABA HB3 H 3.078 -2.620 0.163 1.00 . A A . 13 ABA HB3 1 1
5 1131 1 1 13 ABA HG1 H 2.987 -4.896 -0.353 1.00 . A A . 13 ABA HG1 1 1
5 1132 1 1 13 ABA HG2 H 4.308 -4.778 -1.516 1.00 . A A . 13 ABA HG2 1 1
5 1133 1 1 13 ABA HG3 H 2.725 -4.101 -1.906 1.00 . A A . 13 ABA HG3 1 1
5 1134 1 1 13 ABA N N 2.738 -1.309 -1.949 1.00 . A A . 13 ABA N 1 1
5 1135 1 1 13 ABA O O 6.179 -1.110 -0.889 1.00 . A A . 13 ABA O 1 1
5 1136 1 1 14 LEU C C 5.082 2.198 0.366 1.00 . A A . 14 LEU C 1 1
5 1137 1 1 14 LEU CA C 5.451 1.541 -0.953 1.00 . A A . 14 LEU CA 1 1
5 1138 1 1 14 LEU CB C 5.381 2.562 -2.095 1.00 . A A . 14 LEU CB 1 1
5 1139 1 1 14 LEU CD1 C 5.653 3.109 -4.529 1.00 . A A . 14 LEU CD1 1 1
5 1140 1 1 14 LEU CD2 C 6.897 1.179 -3.552 1.00 . A A . 14 LEU CD2 1 1
5 1141 1 1 14 LEU CG C 5.610 1.990 -3.502 1.00 . A A . 14 LEU CG 1 1
5 1142 1 1 14 LEU H H 3.655 0.593 -1.525 1.00 . A A . 14 LEU H 1 1
5 1143 1 1 14 LEU HA H 6.461 1.163 -0.883 1.00 . A A . 14 LEU HA 1 1
5 1144 1 1 14 LEU HB2 H 4.407 3.028 -2.071 1.00 . A A . 14 LEU HB2 1 1
5 1145 1 1 14 LEU HB3 H 6.128 3.321 -1.915 1.00 . A A . 14 LEU HB3 1 1
5 1146 1 1 14 LEU HD11 H 6.387 2.874 -5.287 1.00 . A A . 14 LEU HD11 1 1
5 1147 1 1 14 LEU HD12 H 5.921 4.035 -4.042 1.00 . A A . 14 LEU HD12 1 1
5 1148 1 1 14 LEU HD13 H 4.681 3.211 -4.989 1.00 . A A . 14 LEU HD13 1 1
5 1149 1 1 14 LEU HD21 H 7.732 1.813 -3.291 1.00 . A A . 14 LEU HD21 1 1
5 1150 1 1 14 LEU HD22 H 7.038 0.790 -4.548 1.00 . A A . 14 LEU HD22 1 1
5 1151 1 1 14 LEU HD23 H 6.834 0.360 -2.851 1.00 . A A . 14 LEU HD23 1 1
5 1152 1 1 14 LEU HG H 4.786 1.332 -3.757 1.00 . A A . 14 LEU HG 1 1
5 1153 1 1 14 LEU N N 4.576 0.420 -1.222 1.00 . A A . 14 LEU N 1 1
5 1154 1 1 14 LEU O O 4.142 2.993 0.441 1.00 . A A . 14 LEU O 1 1
5 1155 1 1 15 ABA C C 5.410 1.248 3.748 1.00 . A A . 15 ABA C 1 1
5 1156 1 1 15 ABA CA C 5.549 2.371 2.733 1.00 . A A . 15 ABA CA 1 1
5 1157 1 1 15 ABA CB C 6.678 3.330 3.171 1.00 . A A . 15 ABA CB 1 1
5 1158 1 1 15 ABA CG C 6.513 4.666 2.465 1.00 . A A . 15 ABA CG 1 1
5 1159 1 1 15 ABA H H 6.510 1.160 1.299 1.00 . A A . 15 ABA H 1 1
5 1160 1 1 15 ABA HA H 4.624 2.928 2.695 1.00 . A A . 15 ABA HA 1 1
5 1161 1 1 15 ABA HB3 H 6.585 3.497 4.235 1.00 . A A . 15 ABA HB3 1 1
5 1162 1 1 15 ABA HG1 H 6.051 4.508 1.501 1.00 . A A . 15 ABA HG1 1 1
5 1163 1 1 15 ABA HG2 H 7.483 5.122 2.328 1.00 . A A . 15 ABA HG2 1 1
5 1164 1 1 15 ABA HG3 H 5.889 5.314 3.062 1.00 . A A . 15 ABA HG3 1 1
5 1165 1 1 15 ABA N N 5.800 1.833 1.412 1.00 . A A . 15 ABA N 1 1
5 1166 1 1 15 ABA O O 5.954 0.158 3.552 1.00 . A A . 15 ABA O 1 1
5 1167 1 1 16 DHA C C 3.851 -0.599 5.672 1.00 . A A . 16 DHA C 1 1
5 1168 1 1 16 DHA CA C 4.607 0.589 5.840 1.00 . A A . 16 DHA CA 1 1
5 1169 1 1 16 DHA CB C 5.254 0.805 6.993 1.00 . A A . 16 DHA CB 1 1
5 1170 1 1 16 DHA H H 4.320 2.427 4.903 1.00 . A A . 16 DHA H 1 1
5 1171 1 1 16 DHA HB1 H 5.834 1.707 7.124 1.00 . A A . 16 DHA HB1 1 1
5 1172 1 1 16 DHA HB2 H 5.219 0.069 7.778 1.00 . A A . 16 DHA HB2 1 1
5 1173 1 1 16 DHA N N 4.707 1.524 4.841 1.00 . A A . 16 DHA N 1 1
5 1174 1 1 16 DHA O O 3.690 -1.385 6.604 1.00 . A A . 16 DHA O 1 1
5 1175 1 1 17 GLU C C 3.624 -3.131 3.683 1.00 . A A . 17 GLU C 1 1
5 1176 1 1 17 GLU CA C 2.661 -2.035 4.126 1.00 . A A . 17 GLU CA 1 1
5 1177 1 1 17 GLU CB C 1.637 -1.747 3.026 1.00 . A A . 17 GLU CB 1 1
5 1178 1 1 17 GLU CD C 1.165 -0.638 0.803 1.00 . A A . 17 GLU CD 1 1
5 1179 1 1 17 GLU CG C 2.196 -0.930 1.874 1.00 . A A . 17 GLU CG 1 1
5 1180 1 1 17 GLU H H 3.574 -0.181 3.743 1.00 . A A . 17 GLU H 1 1
5 1181 1 1 17 GLU HA H 2.142 -2.362 5.016 1.00 . A A . 17 GLU HA 1 1
5 1182 1 1 17 GLU HB2 H 1.280 -2.683 2.633 1.00 . A A . 17 GLU HB2 1 1
5 1183 1 1 17 GLU HB3 H 0.807 -1.205 3.454 1.00 . A A . 17 GLU HB3 1 1
5 1184 1 1 17 GLU HG2 H 2.565 0.009 2.260 1.00 . A A . 17 GLU HG2 1 1
5 1185 1 1 17 GLU HG3 H 3.013 -1.477 1.425 1.00 . A A . 17 GLU HG3 1 1
5 1186 1 1 17 GLU N N 3.393 -0.829 4.452 1.00 . A A . 17 GLU N 1 1
5 1187 1 1 17 GLU O O 3.326 -4.317 3.798 1.00 . A A . 17 GLU O 1 1
5 1188 1 1 17 GLU OE1 O 0.848 -1.552 0.023 1.00 . A A . 17 GLU OE1 1 1
5 1189 1 1 17 GLU OE2 O 0.675 0.507 0.731 1.00 . A A . 17 GLU OE2 1 1
5 1190 1 1 18 CYS C C 7.142 -3.437 3.421 1.00 . A A . 18 CYS C 1 1
5 1191 1 1 18 CYS CA C 5.795 -3.670 2.737 1.00 . A A . 18 CYS CA 1 1
5 1192 1 1 18 CYS CB C 5.921 -3.605 1.209 1.00 . A A . 18 CYS CB 1 1
5 1193 1 1 18 CYS H H 4.985 -1.761 3.155 1.00 . A A . 18 CYS H 1 1
5 1194 1 1 18 CYS HA H 5.449 -4.656 3.009 1.00 . A A . 18 CYS HA 1 1
5 1195 1 1 18 CYS HB2 H 5.970 -2.570 0.908 1.00 . A A . 18 CYS HB2 1 1
5 1196 1 1 18 CYS HB3 H 6.824 -4.102 0.897 1.00 . A A . 18 CYS HB3 1 1
5 1197 1 1 18 CYS N N 4.791 -2.723 3.194 1.00 . A A . 18 CYS N 1 1
5 1198 1 1 18 CYS O O 7.587 -4.264 4.219 1.00 . A A . 18 CYS O 1 1
5 1199 1 1 18 CYS SG S 4.536 -4.370 0.354 1.00 . A A . 18 CYS SG 1 1
5 1200 1 1 19 ILE C C 9.103 -0.868 4.604 1.00 . A A . 19 ILE C 1 1
5 1201 1 1 19 ILE CA C 9.123 -2.071 3.662 1.00 . A A . 19 ILE CA 1 1
5 1202 1 1 19 ILE CB C 10.173 -1.842 2.555 1.00 . A A . 19 ILE CB 1 1
5 1203 1 1 19 ILE CD1 C 11.059 -2.779 0.352 1.00 . A A . 19 ILE CD1 1 1
5 1204 1 1 19 ILE CG1 C 10.128 -2.980 1.527 1.00 . A A . 19 ILE CG1 1 1
5 1205 1 1 19 ILE CG2 C 11.561 -1.734 3.171 1.00 . A A . 19 ILE CG2 1 1
5 1206 1 1 19 ILE H H 7.424 -1.703 2.451 1.00 . A A . 19 ILE H 1 1
5 1207 1 1 19 ILE HA H 9.418 -2.944 4.226 1.00 . A A . 19 ILE HA 1 1
5 1208 1 1 19 ILE HB H 9.949 -0.908 2.062 1.00 . A A . 19 ILE HB 1 1
5 1209 1 1 19 ILE HD11 H 11.478 -1.784 0.389 1.00 . A A . 19 ILE HD11 1 1
5 1210 1 1 19 ILE HD12 H 10.509 -2.903 -0.570 1.00 . A A . 19 ILE HD12 1 1
5 1211 1 1 19 ILE HD13 H 11.857 -3.506 0.396 1.00 . A A . 19 ILE HD13 1 1
5 1212 1 1 19 ILE HG12 H 10.404 -3.904 2.012 1.00 . A A . 19 ILE HG12 1 1
5 1213 1 1 19 ILE HG13 H 9.122 -3.068 1.143 1.00 . A A . 19 ILE HG13 1 1
5 1214 1 1 19 ILE HG21 H 11.585 -0.903 3.860 1.00 . A A . 19 ILE HG21 1 1
5 1215 1 1 19 ILE HG22 H 12.290 -1.578 2.390 1.00 . A A . 19 ILE HG22 1 1
5 1216 1 1 19 ILE HG23 H 11.790 -2.646 3.701 1.00 . A A . 19 ILE HG23 1 1
5 1217 1 1 19 ILE N N 7.805 -2.334 3.102 1.00 . A A . 19 ILE N 1 1
5 1218 1 1 19 ILE O O 9.201 -1.028 5.821 1.00 . A A . 19 ILE O 1 1
5 1219 1 1 20 TEE CA C 9.117 1.456 4.824 1.00 . A A . 20 TEE CA 1 1
5 1220 1 1 20 TEE CB C 7.960 2.020 5.393 1.00 . A A . 20 TEE CB 1 1
5 1221 1 1 20 TEE HA H 8.298 1.144 5.463 1.00 . A A . 20 TEE HA 1 1
5 1222 1 1 20 TEE HB2 H 7.007 1.528 5.276 1.00 . A A . 20 TEE HB2 1 1
5 1223 1 1 20 TEE HN1 H 9.005 0.359 3.055 1.00 . A A . 20 TEE HN1 1 1
5 1224 1 1 20 TEE N N 9.049 0.333 4.037 1.00 . A A . 20 TEE N 1 1
5 1225 1 1 20 TEE SG S 7.334 3.617 4.830 1.00 . A A . 20 TEE SG 1 1
6 1226 1 1 1 CYS C C -2.092 1.790 3.293 1.00 . A A . 1 CYS C 1 1
6 1227 1 1 1 CYS CA C -1.358 0.727 4.112 1.00 . A A . 1 CYS CA 1 1
6 1228 1 1 1 CYS CB C -2.169 0.314 5.338 1.00 . A A . 1 CYS CB 1 1
6 1229 1 1 1 CYS H1 H 0.174 0.871 5.510 1.00 . A A . 1 CYS H1 1 1
6 1230 1 1 1 CYS H2 H -0.110 2.299 4.646 1.00 . A A . 1 CYS H2 1 1
6 1231 1 1 1 CYS H3 H 0.695 1.002 3.901 1.00 . A A . 1 CYS H3 1 1
6 1232 1 1 1 CYS HA H -1.176 -0.137 3.489 1.00 . A A . 1 CYS HA 1 1
6 1233 1 1 1 CYS HB2 H -1.490 0.077 6.145 1.00 . A A . 1 CYS HB2 1 1
6 1234 1 1 1 CYS HB3 H -2.802 1.138 5.632 1.00 . A A . 1 CYS HB3 1 1
6 1235 1 1 1 CYS N N -0.062 1.260 4.573 1.00 . A A . 1 CYS N 1 1
6 1236 1 1 1 CYS O O -1.755 2.970 3.403 1.00 . A A . 1 CYS O 1 1
6 1237 1 1 1 CYS SG S -3.212 -1.114 5.039 1.00 . A A . 1 CYS SG 1 1
6 1238 1 1 2 ABA C C -2.340 -0.855 1.625 1.00 . A A . 2 ABA C 1 1
6 1239 1 1 2 ABA CA C -3.455 0.017 2.206 1.00 . A A . 2 ABA CA 1 1
6 1240 1 1 2 ABA CB C -4.002 -0.587 3.513 1.00 . A A . 2 ABA CB 1 1
6 1241 1 1 2 ABA CG C -5.499 -0.352 3.616 1.00 . A A . 2 ABA CG 1 1
6 1242 1 1 2 ABA H H -3.480 2.100 1.887 1.00 . A A . 2 ABA H 1 1
6 1243 1 1 2 ABA HA H -4.266 0.033 1.494 1.00 . A A . 2 ABA HA 1 1
6 1244 1 1 2 ABA HB3 H -3.830 -1.652 3.494 1.00 . A A . 2 ABA HB3 1 1
6 1245 1 1 2 ABA HG1 H -5.834 -0.602 4.612 1.00 . A A . 2 ABA HG1 1 1
6 1246 1 1 2 ABA HG2 H -6.013 -0.972 2.895 1.00 . A A . 2 ABA HG2 1 1
6 1247 1 1 2 ABA HG3 H -5.718 0.688 3.416 1.00 . A A . 2 ABA HG3 1 1
6 1248 1 1 2 ABA N N -3.022 1.403 2.403 1.00 . A A . 2 ABA N 1 1
6 1249 1 1 2 ABA O O -1.489 -0.365 0.886 1.00 . A A . 2 ABA O 1 1
6 1250 1 1 3 PHE C C -1.959 -3.445 -0.163 1.00 . A A . 3 PHE C 1 1
6 1251 1 1 3 PHE CA C -1.506 -3.114 1.257 1.00 . A A . 3 PHE CA 1 1
6 1252 1 1 3 PHE CB C -1.429 -4.386 2.112 1.00 . A A . 3 PHE CB 1 1
6 1253 1 1 3 PHE CD1 C 0.687 -5.187 1.010 1.00 . A A . 3 PHE CD1 1 1
6 1254 1 1 3 PHE CD2 C -1.019 -6.787 1.490 1.00 . A A . 3 PHE CD2 1 1
6 1255 1 1 3 PHE CE1 C 1.471 -6.186 0.468 1.00 . A A . 3 PHE CE1 1 1
6 1256 1 1 3 PHE CE2 C -0.236 -7.789 0.950 1.00 . A A . 3 PHE CE2 1 1
6 1257 1 1 3 PHE CG C -0.567 -5.475 1.529 1.00 . A A . 3 PHE CG 1 1
6 1258 1 1 3 PHE CZ C 1.010 -7.488 0.437 1.00 . A A . 3 PHE CZ 1 1
6 1259 1 1 3 PHE H H -3.210 -2.497 2.343 1.00 . A A . 3 PHE H 1 1
6 1260 1 1 3 PHE HA H -0.527 -2.656 1.214 1.00 . A A . 3 PHE HA 1 1
6 1261 1 1 3 PHE HB2 H -1.025 -4.132 3.081 1.00 . A A . 3 PHE HB2 1 1
6 1262 1 1 3 PHE HB3 H -2.427 -4.784 2.240 1.00 . A A . 3 PHE HB3 1 1
6 1263 1 1 3 PHE HD1 H 1.051 -4.170 1.034 1.00 . A A . 3 PHE HD1 1 1
6 1264 1 1 3 PHE HD2 H -1.993 -7.023 1.894 1.00 . A A . 3 PHE HD2 1 1
6 1265 1 1 3 PHE HE1 H 2.444 -5.950 0.064 1.00 . A A . 3 PHE HE1 1 1
6 1266 1 1 3 PHE HE2 H -0.599 -8.806 0.929 1.00 . A A . 3 PHE HE2 1 1
6 1267 1 1 3 PHE HZ H 1.624 -8.269 0.014 1.00 . A A . 3 PHE HZ 1 1
6 1268 1 1 3 PHE N N -2.425 -2.156 1.861 1.00 . A A . 3 PHE N 1 1
6 1269 1 1 3 PHE O O -2.822 -4.299 -0.365 1.00 . A A . 3 PHE O 1 1
6 1270 1 1 4 ABA C C -2.751 -1.766 -2.984 1.00 . A A . 4 ABA C 1 1
6 1271 1 1 4 ABA CA C -1.858 -2.910 -2.516 1.00 . A A . 4 ABA CA 1 1
6 1272 1 1 4 ABA CB C -0.645 -3.034 -3.459 1.00 . A A . 4 ABA CB 1 1
6 1273 1 1 4 ABA CG C -0.261 -4.494 -3.651 1.00 . A A . 4 ABA CG 1 1
6 1274 1 1 4 ABA H H -0.795 -2.006 -0.916 1.00 . A A . 4 ABA H 1 1
6 1275 1 1 4 ABA HA H -2.420 -3.832 -2.566 1.00 . A A . 4 ABA HA 1 1
6 1276 1 1 4 ABA HB3 H -0.915 -2.623 -4.423 1.00 . A A . 4 ABA HB3 1 1
6 1277 1 1 4 ABA HG1 H 0.560 -4.562 -4.348 1.00 . A A . 4 ABA HG1 1 1
6 1278 1 1 4 ABA HG2 H -1.109 -5.040 -4.038 1.00 . A A . 4 ABA HG2 1 1
6 1279 1 1 4 ABA HG3 H 0.037 -4.917 -2.702 1.00 . A A . 4 ABA HG3 1 1
6 1280 1 1 4 ABA N N -1.447 -2.713 -1.134 1.00 . A A . 4 ABA N 1 1
6 1281 1 1 4 ABA O O -2.863 -1.497 -4.176 1.00 . A A . 4 ABA O 1 1
6 1282 1 1 5 LEU C C -3.945 1.255 -1.726 1.00 . A A . 5 LEU C 1 1
6 1283 1 1 5 LEU CA C -4.363 -0.062 -2.358 1.00 . A A . 5 LEU CA 1 1
6 1284 1 1 5 LEU CB C -5.778 -0.437 -1.927 1.00 . A A . 5 LEU CB 1 1
6 1285 1 1 5 LEU CD1 C -7.749 -1.948 -2.255 1.00 . A A . 5 LEU CD1 1 1
6 1286 1 1 5 LEU CD2 C -6.909 -0.572 -4.157 1.00 . A A . 5 LEU CD2 1 1
6 1287 1 1 5 LEU CG C -6.518 -1.345 -2.908 1.00 . A A . 5 LEU CG 1 1
6 1288 1 1 5 LEU H H -3.331 -1.417 -1.106 1.00 . A A . 5 LEU H 1 1
6 1289 1 1 5 LEU HA H -4.355 0.060 -3.431 1.00 . A A . 5 LEU HA 1 1
6 1290 1 1 5 LEU HB2 H -5.723 -0.938 -0.971 1.00 . A A . 5 LEU HB2 1 1
6 1291 1 1 5 LEU HB3 H -6.350 0.470 -1.808 1.00 . A A . 5 LEU HB3 1 1
6 1292 1 1 5 LEU HD11 H -7.508 -2.254 -1.246 1.00 . A A . 5 LEU HD11 1 1
6 1293 1 1 5 LEU HD12 H -8.074 -2.808 -2.823 1.00 . A A . 5 LEU HD12 1 1
6 1294 1 1 5 LEU HD13 H -8.540 -1.214 -2.229 1.00 . A A . 5 LEU HD13 1 1
6 1295 1 1 5 LEU HD21 H -7.443 -1.226 -4.831 1.00 . A A . 5 LEU HD21 1 1
6 1296 1 1 5 LEU HD22 H -6.019 -0.200 -4.645 1.00 . A A . 5 LEU HD22 1 1
6 1297 1 1 5 LEU HD23 H -7.544 0.259 -3.883 1.00 . A A . 5 LEU HD23 1 1
6 1298 1 1 5 LEU HG H -5.862 -2.146 -3.206 1.00 . A A . 5 LEU HG 1 1
6 1299 1 1 5 LEU N N -3.430 -1.131 -2.037 1.00 . A A . 5 LEU N 1 1
6 1300 1 1 5 LEU O O -4.153 1.479 -0.532 1.00 . A A . 5 LEU O 1 1
6 1301 1 1 6 PRO C C -3.940 4.249 -1.426 1.00 . A A . 6 PRO C 1 1
6 1302 1 1 6 PRO CA C -2.840 3.439 -2.103 1.00 . A A . 6 PRO CA 1 1
6 1303 1 1 6 PRO CB C -2.419 4.117 -3.403 1.00 . A A . 6 PRO CB 1 1
6 1304 1 1 6 PRO CD C -2.984 1.843 -3.936 1.00 . A A . 6 PRO CD 1 1
6 1305 1 1 6 PRO CG C -2.127 3.008 -4.351 1.00 . A A . 6 PRO CG 1 1
6 1306 1 1 6 PRO HA H -1.992 3.367 -1.441 1.00 . A A . 6 PRO HA 1 1
6 1307 1 1 6 PRO HB2 H -3.223 4.739 -3.758 1.00 . A A . 6 PRO HB2 1 1
6 1308 1 1 6 PRO HB3 H -1.542 4.723 -3.223 1.00 . A A . 6 PRO HB3 1 1
6 1309 1 1 6 PRO HD2 H -3.883 1.793 -4.530 1.00 . A A . 6 PRO HD2 1 1
6 1310 1 1 6 PRO HD3 H -2.427 0.924 -4.020 1.00 . A A . 6 PRO HD3 1 1
6 1311 1 1 6 PRO HG2 H -2.377 3.312 -5.357 1.00 . A A . 6 PRO HG2 1 1
6 1312 1 1 6 PRO HG3 H -1.082 2.742 -4.291 1.00 . A A . 6 PRO HG3 1 1
6 1313 1 1 6 PRO N N -3.304 2.117 -2.530 1.00 . A A . 6 PRO N 1 1
6 1314 1 1 6 PRO O O -4.854 4.751 -2.083 1.00 . A A . 6 PRO O 1 1
6 1315 1 1 7 GLY C C -4.639 4.883 2.144 1.00 . A A . 7 GLY C 1 1
6 1316 1 1 7 GLY CA C -4.882 5.009 0.658 1.00 . A A . 7 GLY CA 1 1
6 1317 1 1 7 GLY H H -3.142 3.847 0.348 1.00 . A A . 7 GLY H 1 1
6 1318 1 1 7 GLY HA2 H -4.871 6.054 0.385 1.00 . A A . 7 GLY HA2 1 1
6 1319 1 1 7 GLY HA3 H -5.853 4.595 0.425 1.00 . A A . 7 GLY HA3 1 1
6 1320 1 1 7 GLY N N -3.876 4.309 -0.111 1.00 . A A . 7 GLY N 1 1
6 1321 1 1 7 GLY O O -4.762 3.796 2.706 1.00 . A A . 7 GLY O 1 1
6 1322 1 1 8 GLY C C -2.518 6.338 4.510 1.00 . A A . 8 GLY C 1 1
6 1323 1 1 8 GLY CA C -3.944 5.941 4.193 1.00 . A A . 8 GLY CA 1 1
6 1324 1 1 8 GLY H H -4.102 6.807 2.267 1.00 . A A . 8 GLY H 1 1
6 1325 1 1 8 GLY HA2 H -4.617 6.618 4.697 1.00 . A A . 8 GLY HA2 1 1
6 1326 1 1 8 GLY HA3 H -4.119 4.941 4.561 1.00 . A A . 8 GLY HA3 1 1
6 1327 1 1 8 GLY N N -4.226 5.974 2.773 1.00 . A A . 8 GLY N 1 1
6 1328 1 1 8 GLY O O -2.149 6.490 5.675 1.00 . A A . 8 GLY O 1 1
6 1329 1 1 9 GLY C C 0.613 5.759 3.102 1.00 . A A . 9 GLY C 1 1
6 1330 1 1 9 GLY CA C -0.311 6.816 3.668 1.00 . A A . 9 GLY CA 1 1
6 1331 1 1 9 GLY H H -2.044 6.311 2.565 1.00 . A A . 9 GLY H 1 1
6 1332 1 1 9 GLY HA2 H -0.111 7.758 3.178 1.00 . A A . 9 GLY HA2 1 1
6 1333 1 1 9 GLY HA3 H -0.118 6.919 4.725 1.00 . A A . 9 GLY HA3 1 1
6 1334 1 1 9 GLY N N -1.703 6.473 3.473 1.00 . A A . 9 GLY N 1 1
6 1335 1 1 9 GLY O O 1.565 5.335 3.757 1.00 . A A . 9 GLY O 1 1
6 1336 1 1 10 GLY C C 0.668 3.935 -0.114 1.00 . A A . 10 GLY C 1 1
6 1337 1 1 10 GLY CA C 1.110 4.262 1.291 1.00 . A A . 10 GLY CA 1 1
6 1338 1 1 10 GLY H H -0.479 5.653 1.428 1.00 . A A . 10 GLY H 1 1
6 1339 1 1 10 GLY HA2 H 2.139 4.591 1.265 1.00 . A A . 10 GLY HA2 1 1
6 1340 1 1 10 GLY HA3 H 1.046 3.366 1.893 1.00 . A A . 10 GLY HA3 1 1
6 1341 1 1 10 GLY N N 0.305 5.295 1.903 1.00 . A A . 10 GLY N 1 1
6 1342 1 1 10 GLY O O -0.520 3.992 -0.428 1.00 . A A . 10 GLY O 1 1
6 1343 1 1 11 VAL C C 1.558 1.584 -2.369 1.00 . A A . 11 VAL C 1 1
6 1344 1 1 11 VAL CA C 1.346 3.091 -2.295 1.00 . A A . 11 VAL CA 1 1
6 1345 1 1 11 VAL CB C 2.275 3.810 -3.304 1.00 . A A . 11 VAL CB 1 1
6 1346 1 1 11 VAL CG1 C 1.709 3.759 -4.712 1.00 . A A . 11 VAL CG1 1 1
6 1347 1 1 11 VAL CG2 C 2.525 5.250 -2.886 1.00 . A A . 11 VAL CG2 1 1
6 1348 1 1 11 VAL H H 2.534 3.422 -0.582 1.00 . A A . 11 VAL H 1 1
6 1349 1 1 11 VAL HA H 0.318 3.323 -2.534 1.00 . A A . 11 VAL HA 1 1
6 1350 1 1 11 VAL HB H 3.224 3.297 -3.311 1.00 . A A . 11 VAL HB 1 1
6 1351 1 1 11 VAL HG11 H 0.878 4.443 -4.790 1.00 . A A . 11 VAL HG11 1 1
6 1352 1 1 11 VAL HG12 H 1.372 2.756 -4.928 1.00 . A A . 11 VAL HG12 1 1
6 1353 1 1 11 VAL HG13 H 2.475 4.040 -5.419 1.00 . A A . 11 VAL HG13 1 1
6 1354 1 1 11 VAL HG21 H 2.730 5.848 -3.761 1.00 . A A . 11 VAL HG21 1 1
6 1355 1 1 11 VAL HG22 H 3.372 5.288 -2.217 1.00 . A A . 11 VAL HG22 1 1
6 1356 1 1 11 VAL HG23 H 1.650 5.637 -2.382 1.00 . A A . 11 VAL HG23 1 1
6 1357 1 1 11 VAL N N 1.618 3.520 -0.933 1.00 . A A . 11 VAL N 1 1
6 1358 1 1 11 VAL O O 2.021 0.989 -1.399 1.00 . A A . 11 VAL O 1 1
6 1359 1 1 12 CYS C C 2.601 -1.032 -3.437 1.00 . A A . 12 CYS C 1 1
6 1360 1 1 12 CYS CA C 1.167 -0.505 -3.545 1.00 . A A . 12 CYS CA 1 1
6 1361 1 1 12 CYS CB C 0.551 -0.970 -4.856 1.00 . A A . 12 CYS CB 1 1
6 1362 1 1 12 CYS H H 0.662 1.461 -4.151 1.00 . A A . 12 CYS H 1 1
6 1363 1 1 12 CYS HA H 0.592 -0.911 -2.725 1.00 . A A . 12 CYS HA 1 1
6 1364 1 1 12 CYS HB2 H -0.414 -0.502 -4.978 1.00 . A A . 12 CYS HB2 1 1
6 1365 1 1 12 CYS HB3 H 1.198 -0.663 -5.664 1.00 . A A . 12 CYS HB3 1 1
6 1366 1 1 12 CYS N N 1.112 0.949 -3.443 1.00 . A A . 12 CYS N 1 1
6 1367 1 1 12 CYS O O 3.357 -1.025 -4.409 1.00 . A A . 12 CYS O 1 1
6 1368 1 1 12 CYS SG S 0.332 -2.756 -4.950 1.00 . A A . 12 CYS SG 1 1
6 1369 1 1 13 ABA C C 5.242 -0.951 -1.548 1.00 . A A . 13 ABA C 1 1
6 1370 1 1 13 ABA CA C 4.283 -2.042 -2.000 1.00 . A A . 13 ABA CA 1 1
6 1371 1 1 13 ABA CB C 4.219 -3.154 -0.944 1.00 . A A . 13 ABA CB 1 1
6 1372 1 1 13 ABA CG C 3.798 -4.468 -1.579 1.00 . A A . 13 ABA CG 1 1
6 1373 1 1 13 ABA H H 2.306 -1.464 -1.512 1.00 . A A . 13 ABA H 1 1
6 1374 1 1 13 ABA HA H 4.652 -2.470 -2.919 1.00 . A A . 13 ABA HA 1 1
6 1375 1 1 13 ABA HB3 H 3.473 -2.882 -0.213 1.00 . A A . 13 ABA HB3 1 1
6 1376 1 1 13 ABA HG1 H 2.790 -4.380 -1.954 1.00 . A A . 13 ABA HG1 1 1
6 1377 1 1 13 ABA HG2 H 3.839 -5.253 -0.839 1.00 . A A . 13 ABA HG2 1 1
6 1378 1 1 13 ABA HG3 H 4.467 -4.705 -2.394 1.00 . A A . 13 ABA HG3 1 1
6 1379 1 1 13 ABA N N 2.959 -1.493 -2.251 1.00 . A A . 13 ABA N 1 1
6 1380 1 1 13 ABA O O 6.453 -1.165 -1.450 1.00 . A A . 13 ABA O 1 1
6 1381 1 1 14 LEU C C 4.957 2.030 0.294 1.00 . A A . 14 LEU C 1 1
6 1382 1 1 14 LEU CA C 5.489 1.402 -0.987 1.00 . A A . 14 LEU CA 1 1
6 1383 1 1 14 LEU CB C 5.446 2.437 -2.117 1.00 . A A . 14 LEU CB 1 1
6 1384 1 1 14 LEU CD1 C 5.568 3.013 -4.554 1.00 . A A . 14 LEU CD1 1 1
6 1385 1 1 14 LEU CD2 C 7.112 1.299 -3.611 1.00 . A A . 14 LEU CD2 1 1
6 1386 1 1 14 LEU CG C 5.719 1.901 -3.528 1.00 . A A . 14 LEU CG 1 1
6 1387 1 1 14 LEU H H 3.726 0.347 -1.470 1.00 . A A . 14 LEU H 1 1
6 1388 1 1 14 LEU HA H 6.507 1.085 -0.830 1.00 . A A . 14 LEU HA 1 1
6 1389 1 1 14 LEU HB2 H 4.470 2.897 -2.113 1.00 . A A . 14 LEU HB2 1 1
6 1390 1 1 14 LEU HB3 H 6.180 3.199 -1.901 1.00 . A A . 14 LEU HB3 1 1
6 1391 1 1 14 LEU HD11 H 4.738 3.647 -4.277 1.00 . A A . 14 LEU HD11 1 1
6 1392 1 1 14 LEU HD12 H 5.381 2.581 -5.526 1.00 . A A . 14 LEU HD12 1 1
6 1393 1 1 14 LEU HD13 H 6.475 3.600 -4.585 1.00 . A A . 14 LEU HD13 1 1
6 1394 1 1 14 LEU HD21 H 7.409 1.218 -4.647 1.00 . A A . 14 LEU HD21 1 1
6 1395 1 1 14 LEU HD22 H 7.107 0.317 -3.162 1.00 . A A . 14 LEU HD22 1 1
6 1396 1 1 14 LEU HD23 H 7.810 1.933 -3.085 1.00 . A A . 14 LEU HD23 1 1
6 1397 1 1 14 LEU HG H 4.997 1.125 -3.764 1.00 . A A . 14 LEU HG 1 1
6 1398 1 1 14 LEU N N 4.697 0.239 -1.344 1.00 . A A . 14 LEU N 1 1
6 1399 1 1 14 LEU O O 4.027 2.836 0.252 1.00 . A A . 14 LEU O 1 1
6 1400 1 1 15 ABA C C 5.337 1.190 3.834 1.00 . A A . 15 ABA C 1 1
6 1401 1 1 15 ABA CA C 5.096 2.189 2.710 1.00 . A A . 15 ABA CA 1 1
6 1402 1 1 15 ABA CB C 5.806 3.520 3.047 1.00 . A A . 15 ABA CB 1 1
6 1403 1 1 15 ABA CG C 4.969 4.689 2.548 1.00 . A A . 15 ABA CG 1 1
6 1404 1 1 15 ABA H H 6.252 0.984 1.407 1.00 . A A . 15 ABA H 1 1
6 1405 1 1 15 ABA HA H 4.035 2.384 2.642 1.00 . A A . 15 ABA HA 1 1
6 1406 1 1 15 ABA HB3 H 5.888 3.599 4.121 1.00 . A A . 15 ABA HB3 1 1
6 1407 1 1 15 ABA HG1 H 4.310 5.022 3.335 1.00 . A A . 15 ABA HG1 1 1
6 1408 1 1 15 ABA HG2 H 4.384 4.374 1.696 1.00 . A A . 15 ABA HG2 1 1
6 1409 1 1 15 ABA HG3 H 5.619 5.500 2.257 1.00 . A A . 15 ABA HG3 1 1
6 1410 1 1 15 ABA N N 5.533 1.655 1.428 1.00 . A A . 15 ABA N 1 1
6 1411 1 1 15 ABA O O 6.023 0.183 3.649 1.00 . A A . 15 ABA O 1 1
6 1412 1 1 16 DHA C C 4.455 -0.648 6.129 1.00 . A A . 16 DHA C 1 1
6 1413 1 1 16 DHA CA C 4.960 0.674 6.091 1.00 . A A . 16 DHA CA 1 1
6 1414 1 1 16 DHA CB C 5.637 1.147 7.144 1.00 . A A . 16 DHA CB 1 1
6 1415 1 1 16 DHA H H 4.223 2.305 5.026 1.00 . A A . 16 DHA H 1 1
6 1416 1 1 16 DHA HB1 H 6.027 2.153 7.129 1.00 . A A . 16 DHA HB1 1 1
6 1417 1 1 16 DHA HB2 H 5.798 0.519 8.008 1.00 . A A . 16 DHA HB2 1 1
6 1418 1 1 16 DHA N N 4.768 1.485 5.000 1.00 . A A . 16 DHA N 1 1
6 1419 1 1 16 DHA O O 4.817 -1.437 7.003 1.00 . A A . 16 DHA O 1 1
6 1420 1 1 17 GLU C C 3.811 -3.259 4.378 1.00 . A A . 17 GLU C 1 1
6 1421 1 1 17 GLU CA C 2.949 -2.277 5.164 1.00 . A A . 17 GLU CA 1 1
6 1422 1 1 17 GLU CB C 1.539 -2.183 4.567 1.00 . A A . 17 GLU CB 1 1
6 1423 1 1 17 GLU CD C 2.172 -0.691 2.597 1.00 . A A . 17 GLU CD 1 1
6 1424 1 1 17 GLU CG C 1.480 -1.958 3.058 1.00 . A A . 17 GLU CG 1 1
6 1425 1 1 17 GLU H H 3.295 -0.293 4.540 1.00 . A A . 17 GLU H 1 1
6 1426 1 1 17 GLU HA H 2.876 -2.627 6.183 1.00 . A A . 17 GLU HA 1 1
6 1427 1 1 17 GLU HB2 H 1.021 -3.097 4.785 1.00 . A A . 17 GLU HB2 1 1
6 1428 1 1 17 GLU HB3 H 1.019 -1.368 5.048 1.00 . A A . 17 GLU HB3 1 1
6 1429 1 1 17 GLU HG2 H 1.949 -2.797 2.567 1.00 . A A . 17 GLU HG2 1 1
6 1430 1 1 17 GLU HG3 H 0.443 -1.908 2.760 1.00 . A A . 17 GLU HG3 1 1
6 1431 1 1 17 GLU N N 3.573 -0.968 5.199 1.00 . A A . 17 GLU N 1 1
6 1432 1 1 17 GLU O O 3.637 -4.475 4.476 1.00 . A A . 17 GLU O 1 1
6 1433 1 1 17 GLU OE1 O 1.953 0.375 3.216 1.00 . A A . 17 GLU OE1 1 1
6 1434 1 1 17 GLU OE2 O 2.912 -0.750 1.600 1.00 . A A . 17 GLU OE2 1 1
6 1435 1 1 18 CYS C C 7.156 -3.345 3.431 1.00 . A A . 18 CYS C 1 1
6 1436 1 1 18 CYS CA C 5.732 -3.553 2.920 1.00 . A A . 18 CYS CA 1 1
6 1437 1 1 18 CYS CB C 5.619 -3.241 1.431 1.00 . A A . 18 CYS CB 1 1
6 1438 1 1 18 CYS H H 4.917 -1.755 3.672 1.00 . A A . 18 CYS H 1 1
6 1439 1 1 18 CYS HA H 5.458 -4.585 3.082 1.00 . A A . 18 CYS HA 1 1
6 1440 1 1 18 CYS HB2 H 5.647 -2.171 1.295 1.00 . A A . 18 CYS HB2 1 1
6 1441 1 1 18 CYS HB3 H 6.450 -3.686 0.905 1.00 . A A . 18 CYS HB3 1 1
6 1442 1 1 18 CYS N N 4.796 -2.730 3.667 1.00 . A A . 18 CYS N 1 1
6 1443 1 1 18 CYS O O 7.680 -4.176 4.173 1.00 . A A . 18 CYS O 1 1
6 1444 1 1 18 CYS SG S 4.095 -3.860 0.701 1.00 . A A . 18 CYS SG 1 1
6 1445 1 1 19 ILE C C 8.998 -0.663 4.531 1.00 . A A . 19 ILE C 1 1
6 1446 1 1 19 ILE CA C 9.079 -1.874 3.608 1.00 . A A . 19 ILE CA 1 1
6 1447 1 1 19 ILE CB C 10.080 -1.580 2.464 1.00 . A A . 19 ILE CB 1 1
6 1448 1 1 19 ILE CD1 C 11.021 -2.494 0.277 1.00 . A A . 19 ILE CD1 1 1
6 1449 1 1 19 ILE CG1 C 10.109 -2.738 1.463 1.00 . A A . 19 ILE CG1 1 1
6 1450 1 1 19 ILE CG2 C 11.476 -1.333 3.026 1.00 . A A . 19 ILE CG2 1 1
6 1451 1 1 19 ILE H H 7.263 -1.540 2.572 1.00 . A A . 19 ILE H 1 1
6 1452 1 1 19 ILE HA H 9.444 -2.720 4.173 1.00 . A A . 19 ILE HA 1 1
6 1453 1 1 19 ILE HB H 9.760 -0.682 1.958 1.00 . A A . 19 ILE HB 1 1
6 1454 1 1 19 ILE HD11 H 10.882 -1.485 -0.084 1.00 . A A . 19 ILE HD11 1 1
6 1455 1 1 19 ILE HD12 H 10.782 -3.195 -0.508 1.00 . A A . 19 ILE HD12 1 1
6 1456 1 1 19 ILE HD13 H 12.049 -2.628 0.578 1.00 . A A . 19 ILE HD13 1 1
6 1457 1 1 19 ILE HG12 H 10.454 -3.628 1.966 1.00 . A A . 19 ILE HG12 1 1
6 1458 1 1 19 ILE HG13 H 9.111 -2.906 1.087 1.00 . A A . 19 ILE HG13 1 1
6 1459 1 1 19 ILE HG21 H 11.420 -0.612 3.829 1.00 . A A . 19 ILE HG21 1 1
6 1460 1 1 19 ILE HG22 H 12.117 -0.950 2.245 1.00 . A A . 19 ILE HG22 1 1
6 1461 1 1 19 ILE HG23 H 11.883 -2.260 3.403 1.00 . A A . 19 ILE HG23 1 1
6 1462 1 1 19 ILE N N 7.752 -2.206 3.107 1.00 . A A . 19 ILE N 1 1
6 1463 1 1 19 ILE O O 8.911 -0.803 5.754 1.00 . A A . 19 ILE O 1 1
6 1464 1 1 20 TEE CA C 8.875 1.654 4.696 1.00 . A A . 20 TEE CA 1 1
6 1465 1 1 20 TEE CB C 8.386 2.837 4.116 1.00 . A A . 20 TEE CB 1 1
6 1466 1 1 20 TEE HA H 8.017 1.118 5.074 1.00 . A A . 20 TEE HA 1 1
6 1467 1 1 20 TEE HB2 H 7.546 2.797 3.440 1.00 . A A . 20 TEE HB2 1 1
6 1468 1 1 20 TEE HN1 H 9.010 0.528 2.954 1.00 . A A . 20 TEE HN1 1 1
6 1469 1 1 20 TEE N N 8.977 0.523 3.938 1.00 . A A . 20 TEE N 1 1
6 1470 1 1 20 TEE SG S 7.553 3.978 2.994 1.00 . A A . 20 TEE SG 1 1
7 1471 1 1 1 CYS C C -2.204 2.023 1.994 1.00 . A A . 1 CYS C 1 1
7 1472 1 1 1 CYS CA C -1.219 1.285 2.895 1.00 . A A . 1 CYS CA 1 1
7 1473 1 1 1 CYS CB C -1.586 1.491 4.362 1.00 . A A . 1 CYS CB 1 1
7 1474 1 1 1 CYS H1 H 0.162 2.698 2.250 1.00 . A A . 1 CYS H1 1 1
7 1475 1 1 1 CYS H2 H 0.659 1.091 2.015 1.00 . A A . 1 CYS H2 1 1
7 1476 1 1 1 CYS H3 H 0.690 1.775 3.568 1.00 . A A . 1 CYS H3 1 1
7 1477 1 1 1 CYS HA H -1.265 0.230 2.667 1.00 . A A . 1 CYS HA 1 1
7 1478 1 1 1 CYS HB2 H -0.966 0.850 4.972 1.00 . A A . 1 CYS HB2 1 1
7 1479 1 1 1 CYS HB3 H -1.400 2.521 4.629 1.00 . A A . 1 CYS HB3 1 1
7 1480 1 1 1 CYS N N 0.167 1.746 2.666 1.00 . A A . 1 CYS N 1 1
7 1481 1 1 1 CYS O O -1.970 3.175 1.632 1.00 . A A . 1 CYS O 1 1
7 1482 1 1 1 CYS SG S -3.311 1.115 4.714 1.00 . A A . 1 CYS SG 1 1
7 1483 1 1 2 ABA C C -2.600 -0.993 1.341 1.00 . A A . 2 ABA C 1 1
7 1484 1 1 2 ABA CA C -3.590 -0.020 1.978 1.00 . A A . 2 ABA CA 1 1
7 1485 1 1 2 ABA CB C -3.598 -0.206 3.515 1.00 . A A . 2 ABA CB 1 1
7 1486 1 1 2 ABA CG C -4.965 0.138 4.085 1.00 . A A . 2 ABA CG 1 1
7 1487 1 1 2 ABA H H -3.923 1.816 0.997 1.00 . A A . 2 ABA H 1 1
7 1488 1 1 2 ABA HA H -4.580 -0.255 1.610 1.00 . A A . 2 ABA HA 1 1
7 1489 1 1 2 ABA HB3 H -3.395 -1.244 3.732 1.00 . A A . 2 ABA HB3 1 1
7 1490 1 1 2 ABA HG1 H -5.109 -0.386 5.018 1.00 . A A . 2 ABA HG1 1 1
7 1491 1 1 2 ABA HG2 H -5.732 -0.157 3.383 1.00 . A A . 2 ABA HG2 1 1
7 1492 1 1 2 ABA HG3 H -5.028 1.203 4.257 1.00 . A A . 2 ABA HG3 1 1
7 1493 1 1 2 ABA N N -3.295 1.362 1.595 1.00 . A A . 2 ABA N 1 1
7 1494 1 1 2 ABA O O -1.827 -0.610 0.459 1.00 . A A . 2 ABA O 1 1
7 1495 1 1 3 PHE C C -2.184 -3.593 -0.244 1.00 . A A . 3 PHE C 1 1
7 1496 1 1 3 PHE CA C -1.793 -3.280 1.200 1.00 . A A . 3 PHE CA 1 1
7 1497 1 1 3 PHE CB C -1.867 -4.552 2.051 1.00 . A A . 3 PHE CB 1 1
7 1498 1 1 3 PHE CD1 C 0.383 -5.437 1.383 1.00 . A A . 3 PHE CD1 1 1
7 1499 1 1 3 PHE CD2 C -1.491 -6.908 1.277 1.00 . A A . 3 PHE CD2 1 1
7 1500 1 1 3 PHE CE1 C 1.207 -6.452 0.940 1.00 . A A . 3 PHE CE1 1 1
7 1501 1 1 3 PHE CE2 C -0.672 -7.923 0.832 1.00 . A A . 3 PHE CE2 1 1
7 1502 1 1 3 PHE CG C -0.974 -5.654 1.558 1.00 . A A . 3 PHE CG 1 1
7 1503 1 1 3 PHE CZ C 0.674 -7.685 0.630 1.00 . A A . 3 PHE CZ 1 1
7 1504 1 1 3 PHE H H -3.338 -2.505 2.421 1.00 . A A . 3 PHE H 1 1
7 1505 1 1 3 PHE HA H -0.780 -2.907 1.212 1.00 . A A . 3 PHE HA 1 1
7 1506 1 1 3 PHE HB2 H -1.576 -4.315 3.063 1.00 . A A . 3 PHE HB2 1 1
7 1507 1 1 3 PHE HB3 H -2.882 -4.919 2.048 1.00 . A A . 3 PHE HB3 1 1
7 1508 1 1 3 PHE HD1 H 0.796 -4.464 1.601 1.00 . A A . 3 PHE HD1 1 1
7 1509 1 1 3 PHE HD2 H -2.548 -7.088 1.409 1.00 . A A . 3 PHE HD2 1 1
7 1510 1 1 3 PHE HE1 H 2.264 -6.272 0.807 1.00 . A A . 3 PHE HE1 1 1
7 1511 1 1 3 PHE HE2 H -1.088 -8.897 0.615 1.00 . A A . 3 PHE HE2 1 1
7 1512 1 1 3 PHE HZ H 1.315 -8.473 0.264 1.00 . A A . 3 PHE HZ 1 1
7 1513 1 1 3 PHE N N -2.656 -2.249 1.755 1.00 . A A . 3 PHE N 1 1
7 1514 1 1 3 PHE O O -3.014 -4.465 -0.501 1.00 . A A . 3 PHE O 1 1
7 1515 1 1 4 ABA C C -2.788 -1.915 -3.126 1.00 . A A . 4 ABA C 1 1
7 1516 1 1 4 ABA CA C -1.917 -3.043 -2.587 1.00 . A A . 4 ABA CA 1 1
7 1517 1 1 4 ABA CB C -0.626 -3.125 -3.425 1.00 . A A . 4 ABA CB 1 1
7 1518 1 1 4 ABA CG C -0.094 -4.549 -3.463 1.00 . A A . 4 ABA CG 1 1
7 1519 1 1 4 ABA H H -1.007 -2.126 -0.910 1.00 . A A . 4 ABA H 1 1
7 1520 1 1 4 ABA HA H -2.450 -3.978 -2.690 1.00 . A A . 4 ABA HA 1 1
7 1521 1 1 4 ABA HB3 H -0.850 -2.817 -4.437 1.00 . A A . 4 ABA HB3 1 1
7 1522 1 1 4 ABA HG1 H -0.647 -5.119 -4.194 1.00 . A A . 4 ABA HG1 1 1
7 1523 1 1 4 ABA HG2 H -0.206 -5.003 -2.490 1.00 . A A . 4 ABA HG2 1 1
7 1524 1 1 4 ABA HG3 H 0.951 -4.534 -3.736 1.00 . A A . 4 ABA HG3 1 1
7 1525 1 1 4 ABA N N -1.621 -2.844 -1.178 1.00 . A A . 4 ABA N 1 1
7 1526 1 1 4 ABA O O -2.846 -1.688 -4.336 1.00 . A A . 4 ABA O 1 1
7 1527 1 1 5 LEU C C -3.924 1.182 -2.032 1.00 . A A . 5 LEU C 1 1
7 1528 1 1 5 LEU CA C -4.367 -0.144 -2.628 1.00 . A A . 5 LEU CA 1 1
7 1529 1 1 5 LEU CB C -5.805 -0.459 -2.235 1.00 . A A . 5 LEU CB 1 1
7 1530 1 1 5 LEU CD1 C -7.799 -1.947 -2.488 1.00 . A A . 5 LEU CD1 1 1
7 1531 1 1 5 LEU CD2 C -6.502 -1.218 -4.505 1.00 . A A . 5 LEU CD2 1 1
7 1532 1 1 5 LEU CG C -6.425 -1.597 -3.034 1.00 . A A . 5 LEU CG 1 1
7 1533 1 1 5 LEU H H -3.413 -1.467 -1.280 1.00 . A A . 5 LEU H 1 1
7 1534 1 1 5 LEU HA H -4.315 -0.066 -3.703 1.00 . A A . 5 LEU HA 1 1
7 1535 1 1 5 LEU HB2 H -5.825 -0.723 -1.187 1.00 . A A . 5 LEU HB2 1 1
7 1536 1 1 5 LEU HB3 H -6.403 0.426 -2.382 1.00 . A A . 5 LEU HB3 1 1
7 1537 1 1 5 LEU HD11 H -8.353 -1.039 -2.298 1.00 . A A . 5 LEU HD11 1 1
7 1538 1 1 5 LEU HD12 H -7.689 -2.501 -1.567 1.00 . A A . 5 LEU HD12 1 1
7 1539 1 1 5 LEU HD13 H -8.331 -2.549 -3.210 1.00 . A A . 5 LEU HD13 1 1
7 1540 1 1 5 LEU HD21 H -7.408 -0.660 -4.687 1.00 . A A . 5 LEU HD21 1 1
7 1541 1 1 5 LEU HD22 H -6.501 -2.113 -5.108 1.00 . A A . 5 LEU HD22 1 1
7 1542 1 1 5 LEU HD23 H -5.646 -0.608 -4.762 1.00 . A A . 5 LEU HD23 1 1
7 1543 1 1 5 LEU HG H -5.793 -2.467 -2.950 1.00 . A A . 5 LEU HG 1 1
7 1544 1 1 5 LEU N N -3.482 -1.227 -2.230 1.00 . A A . 5 LEU N 1 1
7 1545 1 1 5 LEU O O -4.304 1.542 -0.918 1.00 . A A . 5 LEU O 1 1
7 1546 1 1 6 PRO C C -3.690 4.256 -2.180 1.00 . A A . 6 PRO C 1 1
7 1547 1 1 6 PRO CA C -2.580 3.228 -2.394 1.00 . A A . 6 PRO CA 1 1
7 1548 1 1 6 PRO CB C -1.694 3.639 -3.576 1.00 . A A . 6 PRO CB 1 1
7 1549 1 1 6 PRO CD C -2.635 1.510 -4.121 1.00 . A A . 6 PRO CD 1 1
7 1550 1 1 6 PRO CG C -2.128 2.786 -4.719 1.00 . A A . 6 PRO CG 1 1
7 1551 1 1 6 PRO HA H -1.980 3.158 -1.497 1.00 . A A . 6 PRO HA 1 1
7 1552 1 1 6 PRO HB2 H -1.842 4.687 -3.790 1.00 . A A . 6 PRO HB2 1 1
7 1553 1 1 6 PRO HB3 H -0.658 3.463 -3.327 1.00 . A A . 6 PRO HB3 1 1
7 1554 1 1 6 PRO HD2 H -3.451 1.111 -4.706 1.00 . A A . 6 PRO HD2 1 1
7 1555 1 1 6 PRO HD3 H -1.842 0.785 -4.042 1.00 . A A . 6 PRO HD3 1 1
7 1556 1 1 6 PRO HG2 H -2.915 3.279 -5.265 1.00 . A A . 6 PRO HG2 1 1
7 1557 1 1 6 PRO HG3 H -1.288 2.587 -5.368 1.00 . A A . 6 PRO HG3 1 1
7 1558 1 1 6 PRO N N -3.104 1.916 -2.791 1.00 . A A . 6 PRO N 1 1
7 1559 1 1 6 PRO O O -4.148 4.899 -3.129 1.00 . A A . 6 PRO O 1 1
7 1560 1 1 7 GLY C C -5.012 6.069 0.597 1.00 . A A . 7 GLY C 1 1
7 1561 1 1 7 GLY CA C -5.261 5.248 -0.649 1.00 . A A . 7 GLY CA 1 1
7 1562 1 1 7 GLY H H -3.804 3.771 -0.249 1.00 . A A . 7 GLY H 1 1
7 1563 1 1 7 GLY HA2 H -5.402 5.917 -1.485 1.00 . A A . 7 GLY HA2 1 1
7 1564 1 1 7 GLY HA3 H -6.160 4.668 -0.511 1.00 . A A . 7 GLY HA3 1 1
7 1565 1 1 7 GLY N N -4.168 4.351 -0.950 1.00 . A A . 7 GLY N 1 1
7 1566 1 1 7 GLY O O -5.458 5.700 1.686 1.00 . A A . 7 GLY O 1 1
7 1567 1 1 8 GLY C C -3.208 7.483 2.612 1.00 . A A . 8 GLY C 1 1
7 1568 1 1 8 GLY CA C -4.095 8.096 1.546 1.00 . A A . 8 GLY CA 1 1
7 1569 1 1 8 GLY H H -4.049 7.459 -0.474 1.00 . A A . 8 GLY H 1 1
7 1570 1 1 8 GLY HA2 H -3.621 8.992 1.173 1.00 . A A . 8 GLY HA2 1 1
7 1571 1 1 8 GLY HA3 H -5.041 8.365 1.992 1.00 . A A . 8 GLY HA3 1 1
7 1572 1 1 8 GLY N N -4.344 7.202 0.430 1.00 . A A . 8 GLY N 1 1
7 1573 1 1 8 GLY O O -3.421 7.702 3.807 1.00 . A A . 8 GLY O 1 1
7 1574 1 1 9 GLY C C -0.132 5.409 2.487 1.00 . A A . 9 GLY C 1 1
7 1575 1 1 9 GLY CA C -1.310 6.102 3.141 1.00 . A A . 9 GLY CA 1 1
7 1576 1 1 9 GLY H H -2.072 6.594 1.224 1.00 . A A . 9 GLY H 1 1
7 1577 1 1 9 GLY HA2 H -0.935 6.863 3.809 1.00 . A A . 9 GLY HA2 1 1
7 1578 1 1 9 GLY HA3 H -1.864 5.375 3.717 1.00 . A A . 9 GLY HA3 1 1
7 1579 1 1 9 GLY N N -2.209 6.721 2.190 1.00 . A A . 9 GLY N 1 1
7 1580 1 1 9 GLY O O 0.459 4.500 3.070 1.00 . A A . 9 GLY O 1 1
7 1581 1 1 10 GLY C C 0.939 4.707 -0.749 1.00 . A A . 10 GLY C 1 1
7 1582 1 1 10 GLY CA C 1.343 5.246 0.599 1.00 . A A . 10 GLY CA 1 1
7 1583 1 1 10 GLY H H -0.299 6.544 0.845 1.00 . A A . 10 GLY H 1 1
7 1584 1 1 10 GLY HA2 H 2.109 5.994 0.464 1.00 . A A . 10 GLY HA2 1 1
7 1585 1 1 10 GLY HA3 H 1.739 4.437 1.195 1.00 . A A . 10 GLY HA3 1 1
7 1586 1 1 10 GLY N N 0.223 5.836 1.288 1.00 . A A . 10 GLY N 1 1
7 1587 1 1 10 GLY O O -0.133 5.038 -1.255 1.00 . A A . 10 GLY O 1 1
7 1588 1 1 11 VAL C C 1.528 1.723 -2.478 1.00 . A A . 11 VAL C 1 1
7 1589 1 1 11 VAL CA C 1.469 3.248 -2.603 1.00 . A A . 11 VAL CA 1 1
7 1590 1 1 11 VAL CB C 2.450 3.741 -3.700 1.00 . A A . 11 VAL CB 1 1
7 1591 1 1 11 VAL CG1 C 1.931 3.423 -5.094 1.00 . A A . 11 VAL CG1 1 1
7 1592 1 1 11 VAL CG2 C 2.712 5.235 -3.563 1.00 . A A . 11 VAL CG2 1 1
7 1593 1 1 11 VAL H H 2.587 3.585 -0.840 1.00 . A A . 11 VAL H 1 1
7 1594 1 1 11 VAL HA H 0.463 3.543 -2.877 1.00 . A A . 11 VAL HA 1 1
7 1595 1 1 11 VAL HB H 3.390 3.224 -3.568 1.00 . A A . 11 VAL HB 1 1
7 1596 1 1 11 VAL HG11 H 2.120 2.384 -5.321 1.00 . A A . 11 VAL HG11 1 1
7 1597 1 1 11 VAL HG12 H 2.435 4.047 -5.817 1.00 . A A . 11 VAL HG12 1 1
7 1598 1 1 11 VAL HG13 H 0.869 3.613 -5.134 1.00 . A A . 11 VAL HG13 1 1
7 1599 1 1 11 VAL HG21 H 3.196 5.599 -4.458 1.00 . A A . 11 VAL HG21 1 1
7 1600 1 1 11 VAL HG22 H 3.351 5.413 -2.711 1.00 . A A . 11 VAL HG22 1 1
7 1601 1 1 11 VAL HG23 H 1.774 5.753 -3.425 1.00 . A A . 11 VAL HG23 1 1
7 1602 1 1 11 VAL N N 1.767 3.850 -1.315 1.00 . A A . 11 VAL N 1 1
7 1603 1 1 11 VAL O O 1.890 1.207 -1.421 1.00 . A A . 11 VAL O 1 1
7 1604 1 1 12 CYS C C 2.467 -1.049 -3.273 1.00 . A A . 12 CYS C 1 1
7 1605 1 1 12 CYS CA C 1.078 -0.452 -3.496 1.00 . A A . 12 CYS CA 1 1
7 1606 1 1 12 CYS CB C 0.502 -0.996 -4.801 1.00 . A A . 12 CYS CB 1 1
7 1607 1 1 12 CYS H H 0.804 1.476 -4.326 1.00 . A A . 12 CYS H 1 1
7 1608 1 1 12 CYS HA H 0.435 -0.750 -2.682 1.00 . A A . 12 CYS HA 1 1
7 1609 1 1 12 CYS HB2 H -0.495 -0.604 -4.935 1.00 . A A . 12 CYS HB2 1 1
7 1610 1 1 12 CYS HB3 H 1.127 -0.661 -5.615 1.00 . A A . 12 CYS HB3 1 1
7 1611 1 1 12 CYS N N 1.114 1.008 -3.522 1.00 . A A . 12 CYS N 1 1
7 1612 1 1 12 CYS O O 3.248 -1.207 -4.213 1.00 . A A . 12 CYS O 1 1
7 1613 1 1 12 CYS SG S 0.416 -2.796 -4.859 1.00 . A A . 12 CYS SG 1 1
7 1614 1 1 13 ABA C C 5.085 -0.860 -1.398 1.00 . A A . 13 ABA C 1 1
7 1615 1 1 13 ABA CA C 4.056 -1.943 -1.672 1.00 . A A . 13 ABA CA 1 1
7 1616 1 1 13 ABA CB C 3.936 -2.829 -0.429 1.00 . A A . 13 ABA CB 1 1
7 1617 1 1 13 ABA CG C 3.332 -4.176 -0.796 1.00 . A A . 13 ABA CG 1 1
7 1618 1 1 13 ABA H H 2.126 -1.165 -1.311 1.00 . A A . 13 ABA H 1 1
7 1619 1 1 13 ABA HA H 4.393 -2.553 -2.496 1.00 . A A . 13 ABA HA 1 1
7 1620 1 1 13 ABA HB3 H 4.929 -3.002 -0.041 1.00 . A A . 13 ABA HB3 1 1
7 1621 1 1 13 ABA HG1 H 2.492 -4.381 -0.149 1.00 . A A . 13 ABA HG1 1 1
7 1622 1 1 13 ABA HG2 H 4.077 -4.949 -0.674 1.00 . A A . 13 ABA HG2 1 1
7 1623 1 1 13 ABA HG3 H 3.000 -4.154 -1.822 1.00 . A A . 13 ABA HG3 1 1
7 1624 1 1 13 ABA N N 2.775 -1.354 -2.024 1.00 . A A . 13 ABA N 1 1
7 1625 1 1 13 ABA O O 6.278 -1.134 -1.275 1.00 . A A . 13 ABA O 1 1
7 1626 1 1 14 LEU C C 5.023 2.179 0.302 1.00 . A A . 14 LEU C 1 1
7 1627 1 1 14 LEU CA C 5.478 1.491 -0.980 1.00 . A A . 14 LEU CA 1 1
7 1628 1 1 14 LEU CB C 5.465 2.486 -2.149 1.00 . A A . 14 LEU CB 1 1
7 1629 1 1 14 LEU CD1 C 5.707 2.971 -4.601 1.00 . A A . 14 LEU CD1 1 1
7 1630 1 1 14 LEU CD2 C 7.051 1.142 -3.572 1.00 . A A . 14 LEU CD2 1 1
7 1631 1 1 14 LEU CG C 5.723 1.884 -3.539 1.00 . A A . 14 LEU CG 1 1
7 1632 1 1 14 LEU H H 3.639 0.515 -1.325 1.00 . A A . 14 LEU H 1 1
7 1633 1 1 14 LEU HA H 6.481 1.116 -0.843 1.00 . A A . 14 LEU HA 1 1
7 1634 1 1 14 LEU HB2 H 4.500 2.974 -2.165 1.00 . A A . 14 LEU HB2 1 1
7 1635 1 1 14 LEU HB3 H 6.221 3.235 -1.962 1.00 . A A . 14 LEU HB3 1 1
7 1636 1 1 14 LEU HD11 H 6.716 3.309 -4.786 1.00 . A A . 14 LEU HD11 1 1
7 1637 1 1 14 LEU HD12 H 5.106 3.800 -4.258 1.00 . A A . 14 LEU HD12 1 1
7 1638 1 1 14 LEU HD13 H 5.287 2.575 -5.514 1.00 . A A . 14 LEU HD13 1 1
7 1639 1 1 14 LEU HD21 H 6.979 0.306 -4.251 1.00 . A A . 14 LEU HD21 1 1
7 1640 1 1 14 LEU HD22 H 7.286 0.781 -2.581 1.00 . A A . 14 LEU HD22 1 1
7 1641 1 1 14 LEU HD23 H 7.830 1.812 -3.906 1.00 . A A . 14 LEU HD23 1 1
7 1642 1 1 14 LEU HG H 4.933 1.177 -3.774 1.00 . A A . 14 LEU HG 1 1
7 1643 1 1 14 LEU N N 4.610 0.366 -1.264 1.00 . A A . 14 LEU N 1 1
7 1644 1 1 14 LEU O O 4.156 3.058 0.269 1.00 . A A . 14 LEU O 1 1
7 1645 1 1 15 ABA C C 5.388 1.234 3.828 1.00 . A A . 15 ABA C 1 1
7 1646 1 1 15 ABA CA C 5.211 2.283 2.728 1.00 . A A . 15 ABA CA 1 1
7 1647 1 1 15 ABA CB C 6.047 3.538 3.077 1.00 . A A . 15 ABA CB 1 1
7 1648 1 1 15 ABA CG C 5.298 4.781 2.635 1.00 . A A . 15 ABA CG 1 1
7 1649 1 1 15 ABA H H 6.243 1.020 1.385 1.00 . A A . 15 ABA H 1 1
7 1650 1 1 15 ABA HA H 4.170 2.571 2.686 1.00 . A A . 15 ABA HA 1 1
7 1651 1 1 15 ABA HB3 H 6.164 3.578 4.149 1.00 . A A . 15 ABA HB3 1 1
7 1652 1 1 15 ABA HG1 H 5.122 4.736 1.570 1.00 . A A . 15 ABA HG1 1 1
7 1653 1 1 15 ABA HG2 H 5.887 5.657 2.867 1.00 . A A . 15 ABA HG2 1 1
7 1654 1 1 15 ABA HG3 H 4.351 4.837 3.153 1.00 . A A . 15 ABA HG3 1 1
7 1655 1 1 15 ABA N N 5.579 1.744 1.427 1.00 . A A . 15 ABA N 1 1
7 1656 1 1 15 ABA O O 6.109 0.247 3.649 1.00 . A A . 15 ABA O 1 1
7 1657 1 1 16 DHA C C 4.359 -0.637 6.112 1.00 . A A . 16 DHA C 1 1
7 1658 1 1 16 DHA CA C 4.928 0.660 6.059 1.00 . A A . 16 DHA CA 1 1
7 1659 1 1 16 DHA CB C 5.647 1.096 7.102 1.00 . A A . 16 DHA CB 1 1
7 1660 1 1 16 DHA H H 4.235 2.316 5.013 1.00 . A A . 16 DHA H 1 1
7 1661 1 1 16 DHA HB1 H 6.087 2.082 7.080 1.00 . A A . 16 DHA HB1 1 1
7 1662 1 1 16 DHA HB2 H 5.785 0.461 7.965 1.00 . A A . 16 DHA HB2 1 1
7 1663 1 1 16 DHA N N 4.765 1.488 4.977 1.00 . A A . 16 DHA N 1 1
7 1664 1 1 16 DHA O O 4.608 -1.392 7.057 1.00 . A A . 16 DHA O 1 1
7 1665 1 1 17 GLU C C 3.842 -3.312 4.433 1.00 . A A . 17 GLU C 1 1
7 1666 1 1 17 GLU CA C 2.922 -2.287 5.083 1.00 . A A . 17 GLU CA 1 1
7 1667 1 1 17 GLU CB C 1.585 -2.213 4.328 1.00 . A A . 17 GLU CB 1 1
7 1668 1 1 17 GLU CD C 2.010 -0.801 2.249 1.00 . A A . 17 GLU CD 1 1
7 1669 1 1 17 GLU CG C 1.706 -2.178 2.806 1.00 . A A . 17 GLU CG 1 1
7 1670 1 1 17 GLU H H 3.399 -0.359 4.372 1.00 . A A . 17 GLU H 1 1
7 1671 1 1 17 GLU HA H 2.734 -2.587 6.103 1.00 . A A . 17 GLU HA 1 1
7 1672 1 1 17 GLU HB2 H 0.996 -3.069 4.595 1.00 . A A . 17 GLU HB2 1 1
7 1673 1 1 17 GLU HB3 H 1.064 -1.321 4.642 1.00 . A A . 17 GLU HB3 1 1
7 1674 1 1 17 GLU HG2 H 2.500 -2.847 2.508 1.00 . A A . 17 GLU HG2 1 1
7 1675 1 1 17 GLU HG3 H 0.775 -2.523 2.379 1.00 . A A . 17 GLU HG3 1 1
7 1676 1 1 17 GLU N N 3.568 -0.990 5.110 1.00 . A A . 17 GLU N 1 1
7 1677 1 1 17 GLU O O 3.603 -4.519 4.503 1.00 . A A . 17 GLU O 1 1
7 1678 1 1 17 GLU OE1 O 3.032 -0.208 2.637 1.00 . A A . 17 GLU OE1 1 1
7 1679 1 1 17 GLU OE2 O 1.217 -0.307 1.421 1.00 . A A . 17 GLU OE2 1 1
7 1680 1 1 18 CYS C C 7.263 -3.384 3.538 1.00 . A A . 18 CYS C 1 1
7 1681 1 1 18 CYS CA C 5.832 -3.663 3.086 1.00 . A A . 18 CYS CA 1 1
7 1682 1 1 18 CYS CB C 5.690 -3.449 1.583 1.00 . A A . 18 CYS CB 1 1
7 1683 1 1 18 CYS H H 5.001 -1.838 3.752 1.00 . A A . 18 CYS H 1 1
7 1684 1 1 18 CYS HA H 5.589 -4.689 3.318 1.00 . A A . 18 CYS HA 1 1
7 1685 1 1 18 CYS HB2 H 5.800 -2.396 1.370 1.00 . A A . 18 CYS HB2 1 1
7 1686 1 1 18 CYS HB3 H 6.469 -3.993 1.072 1.00 . A A . 18 CYS HB3 1 1
7 1687 1 1 18 CYS N N 4.884 -2.813 3.785 1.00 . A A . 18 CYS N 1 1
7 1688 1 1 18 CYS O O 7.863 -4.190 4.250 1.00 . A A . 18 CYS O 1 1
7 1689 1 1 18 CYS SG S 4.103 -3.992 0.928 1.00 . A A . 18 CYS SG 1 1
7 1690 1 1 19 ILE C C 9.236 -0.752 4.460 1.00 . A A . 19 ILE C 1 1
7 1691 1 1 19 ILE CA C 9.187 -1.907 3.468 1.00 . A A . 19 ILE CA 1 1
7 1692 1 1 19 ILE CB C 10.010 -1.541 2.208 1.00 . A A . 19 ILE CB 1 1
7 1693 1 1 19 ILE CD1 C 10.482 -3.988 1.681 1.00 . A A . 19 ILE CD1 1 1
7 1694 1 1 19 ILE CG1 C 9.941 -2.669 1.175 1.00 . A A . 19 ILE CG1 1 1
7 1695 1 1 19 ILE CG2 C 11.460 -1.253 2.578 1.00 . A A . 19 ILE CG2 1 1
7 1696 1 1 19 ILE H H 7.283 -1.628 2.582 1.00 . A A . 19 ILE H 1 1
7 1697 1 1 19 ILE HA H 9.638 -2.777 3.922 1.00 . A A . 19 ILE HA 1 1
7 1698 1 1 19 ILE HB H 9.589 -0.643 1.779 1.00 . A A . 19 ILE HB 1 1
7 1699 1 1 19 ILE HD11 H 11.145 -4.413 0.943 1.00 . A A . 19 ILE HD11 1 1
7 1700 1 1 19 ILE HD12 H 9.663 -4.667 1.866 1.00 . A A . 19 ILE HD12 1 1
7 1701 1 1 19 ILE HD13 H 11.026 -3.822 2.600 1.00 . A A . 19 ILE HD13 1 1
7 1702 1 1 19 ILE HG12 H 8.911 -2.824 0.889 1.00 . A A . 19 ILE HG12 1 1
7 1703 1 1 19 ILE HG13 H 10.514 -2.386 0.305 1.00 . A A . 19 ILE HG13 1 1
7 1704 1 1 19 ILE HG21 H 11.741 -0.282 2.200 1.00 . A A . 19 ILE HG21 1 1
7 1705 1 1 19 ILE HG22 H 12.099 -2.006 2.144 1.00 . A A . 19 ILE HG22 1 1
7 1706 1 1 19 ILE HG23 H 11.567 -1.266 3.653 1.00 . A A . 19 ILE HG23 1 1
7 1707 1 1 19 ILE N N 7.811 -2.248 3.128 1.00 . A A . 19 ILE N 1 1
7 1708 1 1 19 ILE O O 9.439 -0.961 5.657 1.00 . A A . 19 ILE O 1 1
7 1709 1 1 20 TEE CA C 9.163 1.548 4.797 1.00 . A A . 20 TEE CA 1 1
7 1710 1 1 20 TEE CB C 8.243 2.605 4.674 1.00 . A A . 20 TEE CB 1 1
7 1711 1 1 20 TEE HA H 8.428 1.847 5.529 1.00 . A A . 20 TEE HA 1 1
7 1712 1 1 20 TEE HB2 H 8.546 3.537 4.224 1.00 . A A . 20 TEE HB2 1 1
7 1713 1 1 20 TEE HN1 H 8.956 0.535 2.986 1.00 . A A . 20 TEE HN1 1 1
7 1714 1 1 20 TEE N N 9.092 0.466 3.959 1.00 . A A . 20 TEE N 1 1
7 1715 1 1 20 TEE SG S 7.068 3.960 4.505 1.00 . A A . 20 TEE SG 1 1
8 1716 1 1 1 CYS C C -1.952 2.153 1.864 1.00 . A A . 1 CYS C 1 1
8 1717 1 1 1 CYS CA C -0.785 1.516 2.605 1.00 . A A . 1 CYS CA 1 1
8 1718 1 1 1 CYS CB C -0.917 1.746 4.109 1.00 . A A . 1 CYS CB 1 1
8 1719 1 1 1 CYS H1 H 1.126 1.294 1.816 1.00 . A A . 1 CYS H1 1 1
8 1720 1 1 1 CYS H2 H 0.972 2.586 2.905 1.00 . A A . 1 CYS H2 1 1
8 1721 1 1 1 CYS H3 H 0.333 2.715 1.342 1.00 . A A . 1 CYS H3 1 1
8 1722 1 1 1 CYS HA H -0.787 0.455 2.407 1.00 . A A . 1 CYS HA 1 1
8 1723 1 1 1 CYS HB2 H -0.125 1.215 4.617 1.00 . A A . 1 CYS HB2 1 1
8 1724 1 1 1 CYS HB3 H -0.822 2.802 4.312 1.00 . A A . 1 CYS HB3 1 1
8 1725 1 1 1 CYS N N 0.499 2.068 2.133 1.00 . A A . 1 CYS N 1 1
8 1726 1 1 1 CYS O O -1.856 3.302 1.435 1.00 . A A . 1 CYS O 1 1
8 1727 1 1 1 CYS SG S -2.492 1.183 4.773 1.00 . A A . 1 CYS SG 1 1
8 1728 1 1 2 ABA C C -2.192 -0.922 1.308 1.00 . A A . 2 ABA C 1 1
8 1729 1 1 2 ABA CA C -3.141 -0.003 2.084 1.00 . A A . 2 ABA CA 1 1
8 1730 1 1 2 ABA CB C -2.873 -0.141 3.605 1.00 . A A . 2 ABA CB 1 1
8 1731 1 1 2 ABA CG C -4.168 0.014 4.390 1.00 . A A . 2 ABA CG 1 1
8 1732 1 1 2 ABA H H -3.784 1.789 1.153 1.00 . A A . 2 ABA H 1 1
8 1733 1 1 2 ABA HA H -4.158 -0.322 1.894 1.00 . A A . 2 ABA HA 1 1
8 1734 1 1 2 ABA HB3 H -2.480 -1.131 3.792 1.00 . A A . 2 ABA HB3 1 1
8 1735 1 1 2 ABA HG1 H -3.941 0.242 5.422 1.00 . A A . 2 ABA HG1 1 1
8 1736 1 1 2 ABA HG2 H -4.734 -0.905 4.342 1.00 . A A . 2 ABA HG2 1 1
8 1737 1 1 2 ABA HG3 H -4.751 0.817 3.965 1.00 . A A . 2 ABA HG3 1 1
8 1738 1 1 2 ABA N N -3.024 1.389 1.631 1.00 . A A . 2 ABA N 1 1
8 1739 1 1 2 ABA O O -1.533 -0.487 0.359 1.00 . A A . 2 ABA O 1 1
8 1740 1 1 3 PHE C C -1.898 -3.480 -0.396 1.00 . A A . 3 PHE C 1 1
8 1741 1 1 3 PHE CA C -1.339 -3.180 0.992 1.00 . A A . 3 PHE CA 1 1
8 1742 1 1 3 PHE CB C -1.247 -4.472 1.812 1.00 . A A . 3 PHE CB 1 1
8 1743 1 1 3 PHE CD1 C 0.750 -5.394 0.588 1.00 . A A . 3 PHE CD1 1 1
8 1744 1 1 3 PHE CD2 C -1.119 -6.830 0.955 1.00 . A A . 3 PHE CD2 1 1
8 1745 1 1 3 PHE CE1 C 1.406 -6.415 -0.071 1.00 . A A . 3 PHE CE1 1 1
8 1746 1 1 3 PHE CE2 C -0.466 -7.854 0.300 1.00 . A A . 3 PHE CE2 1 1
8 1747 1 1 3 PHE CG C -0.520 -5.589 1.108 1.00 . A A . 3 PHE CG 1 1
8 1748 1 1 3 PHE CZ C 0.798 -7.648 -0.215 1.00 . A A . 3 PHE CZ 1 1
8 1749 1 1 3 PHE H H -2.763 -2.497 2.401 1.00 . A A . 3 PHE H 1 1
8 1750 1 1 3 PHE HA H -0.349 -2.764 0.885 1.00 . A A . 3 PHE HA 1 1
8 1751 1 1 3 PHE HB2 H -0.728 -4.265 2.736 1.00 . A A . 3 PHE HB2 1 1
8 1752 1 1 3 PHE HB3 H -2.244 -4.817 2.037 1.00 . A A . 3 PHE HB3 1 1
8 1753 1 1 3 PHE HD1 H 1.224 -4.432 0.698 1.00 . A A . 3 PHE HD1 1 1
8 1754 1 1 3 PHE HD2 H -2.109 -6.994 1.355 1.00 . A A . 3 PHE HD2 1 1
8 1755 1 1 3 PHE HE1 H 2.397 -6.252 -0.473 1.00 . A A . 3 PHE HE1 1 1
8 1756 1 1 3 PHE HE2 H -0.942 -8.815 0.186 1.00 . A A . 3 PHE HE2 1 1
8 1757 1 1 3 PHE HZ H 1.310 -8.446 -0.729 1.00 . A A . 3 PHE HZ 1 1
8 1758 1 1 3 PHE N N -2.165 -2.195 1.678 1.00 . A A . 3 PHE N 1 1
8 1759 1 1 3 PHE O O -2.711 -4.386 -0.567 1.00 . A A . 3 PHE O 1 1
8 1760 1 1 4 ABA C C -2.868 -1.765 -3.175 1.00 . A A . 4 ABA C 1 1
8 1761 1 1 4 ABA CA C -1.937 -2.889 -2.745 1.00 . A A . 4 ABA CA 1 1
8 1762 1 1 4 ABA CB C -0.745 -2.970 -3.716 1.00 . A A . 4 ABA CB 1 1
8 1763 1 1 4 ABA CG C -0.423 -4.422 -4.032 1.00 . A A . 4 ABA CG 1 1
8 1764 1 1 4 ABA H H -0.876 -1.956 -1.168 1.00 . A A . 4 ABA H 1 1
8 1765 1 1 4 ABA HA H -2.475 -3.825 -2.791 1.00 . A A . 4 ABA HA 1 1
8 1766 1 1 4 ABA HB3 H -1.015 -2.470 -4.636 1.00 . A A . 4 ABA HB3 1 1
8 1767 1 1 4 ABA HG1 H 0.582 -4.492 -4.427 1.00 . A A . 4 ABA HG1 1 1
8 1768 1 1 4 ABA HG2 H -1.123 -4.794 -4.765 1.00 . A A . 4 ABA HG2 1 1
8 1769 1 1 4 ABA HG3 H -0.497 -5.012 -3.130 1.00 . A A . 4 ABA HG3 1 1
8 1770 1 1 4 ABA N N -1.486 -2.695 -1.375 1.00 . A A . 4 ABA N 1 1
8 1771 1 1 4 ABA O O -3.019 -1.487 -4.365 1.00 . A A . 4 ABA O 1 1
8 1772 1 1 5 LEU C C -4.063 1.232 -1.873 1.00 . A A . 5 LEU C 1 1
8 1773 1 1 5 LEU CA C -4.486 -0.094 -2.487 1.00 . A A . 5 LEU CA 1 1
8 1774 1 1 5 LEU CB C -5.868 -0.503 -1.990 1.00 . A A . 5 LEU CB 1 1
8 1775 1 1 5 LEU CD1 C -7.705 -2.204 -1.999 1.00 . A A . 5 LEU CD1 1 1
8 1776 1 1 5 LEU CD2 C -6.781 -1.346 -4.162 1.00 . A A . 5 LEU CD2 1 1
8 1777 1 1 5 LEU CG C -6.459 -1.706 -2.717 1.00 . A A . 5 LEU CG 1 1
8 1778 1 1 5 LEU H H -3.379 -1.431 -1.278 1.00 . A A . 5 LEU H 1 1
8 1779 1 1 5 LEU HA H -4.528 0.025 -3.559 1.00 . A A . 5 LEU HA 1 1
8 1780 1 1 5 LEU HB2 H -5.801 -0.735 -0.937 1.00 . A A . 5 LEU HB2 1 1
8 1781 1 1 5 LEU HB3 H -6.540 0.332 -2.118 1.00 . A A . 5 LEU HB3 1 1
8 1782 1 1 5 LEU HD11 H -7.764 -3.279 -2.082 1.00 . A A . 5 LEU HD11 1 1
8 1783 1 1 5 LEU HD12 H -8.583 -1.759 -2.445 1.00 . A A . 5 LEU HD12 1 1
8 1784 1 1 5 LEU HD13 H -7.653 -1.928 -0.953 1.00 . A A . 5 LEU HD13 1 1
8 1785 1 1 5 LEU HD21 H -6.097 -0.583 -4.505 1.00 . A A . 5 LEU HD21 1 1
8 1786 1 1 5 LEU HD22 H -7.795 -0.977 -4.224 1.00 . A A . 5 LEU HD22 1 1
8 1787 1 1 5 LEU HD23 H -6.681 -2.225 -4.783 1.00 . A A . 5 LEU HD23 1 1
8 1788 1 1 5 LEU HG H -5.724 -2.500 -2.727 1.00 . A A . 5 LEU HG 1 1
8 1789 1 1 5 LEU N N -3.521 -1.148 -2.203 1.00 . A A . 5 LEU N 1 1
8 1790 1 1 5 LEU O O -4.470 1.586 -0.765 1.00 . A A . 5 LEU O 1 1
8 1791 1 1 6 PRO C C -3.898 4.305 -2.050 1.00 . A A . 6 PRO C 1 1
8 1792 1 1 6 PRO CA C -2.762 3.304 -2.207 1.00 . A A . 6 PRO CA 1 1
8 1793 1 1 6 PRO CB C -1.834 3.730 -3.352 1.00 . A A . 6 PRO CB 1 1
8 1794 1 1 6 PRO CD C -2.740 1.610 -3.940 1.00 . A A . 6 PRO CD 1 1
8 1795 1 1 6 PRO CG C -1.528 2.474 -4.090 1.00 . A A . 6 PRO CG 1 1
8 1796 1 1 6 PRO HA H -2.200 3.254 -1.289 1.00 . A A . 6 PRO HA 1 1
8 1797 1 1 6 PRO HB2 H -2.344 4.443 -3.980 1.00 . A A . 6 PRO HB2 1 1
8 1798 1 1 6 PRO HB3 H -0.939 4.176 -2.947 1.00 . A A . 6 PRO HB3 1 1
8 1799 1 1 6 PRO HD2 H -3.453 1.838 -4.702 1.00 . A A . 6 PRO HD2 1 1
8 1800 1 1 6 PRO HD3 H -2.478 0.559 -3.968 1.00 . A A . 6 PRO HD3 1 1
8 1801 1 1 6 PRO HG2 H -1.346 2.696 -5.132 1.00 . A A . 6 PRO HG2 1 1
8 1802 1 1 6 PRO HG3 H -0.667 1.991 -3.653 1.00 . A A . 6 PRO HG3 1 1
8 1803 1 1 6 PRO N N -3.243 1.983 -2.614 1.00 . A A . 6 PRO N 1 1
8 1804 1 1 6 PRO O O -5.018 4.078 -2.515 1.00 . A A . 6 PRO O 1 1
8 1805 1 1 7 GLY C C -4.784 6.707 0.315 1.00 . A A . 7 GLY C 1 1
8 1806 1 1 7 GLY CA C -4.614 6.417 -1.155 1.00 . A A . 7 GLY CA 1 1
8 1807 1 1 7 GLY H H -2.707 5.529 -1.027 1.00 . A A . 7 GLY H 1 1
8 1808 1 1 7 GLY HA2 H -4.321 7.325 -1.662 1.00 . A A . 7 GLY HA2 1 1
8 1809 1 1 7 GLY HA3 H -5.554 6.074 -1.558 1.00 . A A . 7 GLY HA3 1 1
8 1810 1 1 7 GLY N N -3.611 5.405 -1.383 1.00 . A A . 7 GLY N 1 1
8 1811 1 1 7 GLY O O -5.577 6.054 0.996 1.00 . A A . 7 GLY O 1 1
8 1812 1 1 8 GLY C C -2.754 7.802 2.926 1.00 . A A . 8 GLY C 1 1
8 1813 1 1 8 GLY CA C -4.077 8.005 2.217 1.00 . A A . 8 GLY CA 1 1
8 1814 1 1 8 GLY H H -3.374 8.123 0.224 1.00 . A A . 8 GLY H 1 1
8 1815 1 1 8 GLY HA2 H -4.369 9.041 2.306 1.00 . A A . 8 GLY HA2 1 1
8 1816 1 1 8 GLY HA3 H -4.826 7.389 2.694 1.00 . A A . 8 GLY HA3 1 1
8 1817 1 1 8 GLY N N -4.010 7.657 0.814 1.00 . A A . 8 GLY N 1 1
8 1818 1 1 8 GLY O O -2.692 7.835 4.157 1.00 . A A . 8 GLY O 1 1
8 1819 1 1 9 GLY C C 0.250 6.131 2.411 1.00 . A A . 9 GLY C 1 1
8 1820 1 1 9 GLY CA C -0.374 7.473 2.733 1.00 . A A . 9 GLY CA 1 1
8 1821 1 1 9 GLY H H -1.796 7.626 1.175 1.00 . A A . 9 GLY H 1 1
8 1822 1 1 9 GLY HA2 H 0.267 8.256 2.357 1.00 . A A . 9 GLY HA2 1 1
8 1823 1 1 9 GLY HA3 H -0.452 7.570 3.806 1.00 . A A . 9 GLY HA3 1 1
8 1824 1 1 9 GLY N N -1.689 7.630 2.153 1.00 . A A . 9 GLY N 1 1
8 1825 1 1 9 GLY O O 0.061 5.157 3.146 1.00 . A A . 9 GLY O 1 1
8 1826 1 1 10 GLY C C 1.072 4.388 -0.474 1.00 . A A . 10 GLY C 1 1
8 1827 1 1 10 GLY CA C 1.573 4.835 0.875 1.00 . A A . 10 GLY CA 1 1
8 1828 1 1 10 GLY H H 1.011 6.856 0.707 1.00 . A A . 10 GLY H 1 1
8 1829 1 1 10 GLY HA2 H 2.644 4.977 0.825 1.00 . A A . 10 GLY HA2 1 1
8 1830 1 1 10 GLY HA3 H 1.352 4.068 1.604 1.00 . A A . 10 GLY HA3 1 1
8 1831 1 1 10 GLY N N 0.952 6.068 1.289 1.00 . A A . 10 GLY N 1 1
8 1832 1 1 10 GLY O O -0.066 4.671 -0.843 1.00 . A A . 10 GLY O 1 1
8 1833 1 1 11 VAL C C 1.483 1.627 -2.448 1.00 . A A . 11 VAL C 1 1
8 1834 1 1 11 VAL CA C 1.528 3.157 -2.502 1.00 . A A . 11 VAL CA 1 1
8 1835 1 1 11 VAL CB C 2.514 3.636 -3.598 1.00 . A A . 11 VAL CB 1 1
8 1836 1 1 11 VAL CG1 C 1.881 3.563 -4.979 1.00 . A A . 11 VAL CG1 1 1
8 1837 1 1 11 VAL CG2 C 2.992 5.055 -3.313 1.00 . A A . 11 VAL CG2 1 1
8 1838 1 1 11 VAL H H 2.785 3.438 -0.827 1.00 . A A . 11 VAL H 1 1
8 1839 1 1 11 VAL HA H 0.539 3.532 -2.736 1.00 . A A . 11 VAL HA 1 1
8 1840 1 1 11 VAL HB H 3.374 2.983 -3.584 1.00 . A A . 11 VAL HB 1 1
8 1841 1 1 11 VAL HG11 H 2.037 4.498 -5.497 1.00 . A A . 11 VAL HG11 1 1
8 1842 1 1 11 VAL HG12 H 0.821 3.380 -4.878 1.00 . A A . 11 VAL HG12 1 1
8 1843 1 1 11 VAL HG13 H 2.333 2.759 -5.540 1.00 . A A . 11 VAL HG13 1 1
8 1844 1 1 11 VAL HG21 H 2.394 5.756 -3.877 1.00 . A A . 11 VAL HG21 1 1
8 1845 1 1 11 VAL HG22 H 4.028 5.152 -3.602 1.00 . A A . 11 VAL HG22 1 1
8 1846 1 1 11 VAL HG23 H 2.891 5.264 -2.259 1.00 . A A . 11 VAL HG23 1 1
8 1847 1 1 11 VAL N N 1.903 3.668 -1.199 1.00 . A A . 11 VAL N 1 1
8 1848 1 1 11 VAL O O 1.606 1.042 -1.371 1.00 . A A . 11 VAL O 1 1
8 1849 1 1 12 CYS C C 2.453 -1.141 -3.374 1.00 . A A . 12 CYS C 1 1
8 1850 1 1 12 CYS CA C 1.107 -0.457 -3.631 1.00 . A A . 12 CYS CA 1 1
8 1851 1 1 12 CYS CB C 0.564 -0.882 -4.991 1.00 . A A . 12 CYS CB 1 1
8 1852 1 1 12 CYS H H 1.115 1.506 -4.405 1.00 . A A . 12 CYS H 1 1
8 1853 1 1 12 CYS HA H 0.400 -0.746 -2.868 1.00 . A A . 12 CYS HA 1 1
8 1854 1 1 12 CYS HB2 H -0.381 -0.386 -5.159 1.00 . A A . 12 CYS HB2 1 1
8 1855 1 1 12 CYS HB3 H 1.265 -0.573 -5.749 1.00 . A A . 12 CYS HB3 1 1
8 1856 1 1 12 CYS N N 1.239 0.990 -3.580 1.00 . A A . 12 CYS N 1 1
8 1857 1 1 12 CYS O O 3.277 -1.270 -4.281 1.00 . A A . 12 CYS O 1 1
8 1858 1 1 12 CYS SG S 0.304 -2.660 -5.151 1.00 . A A . 12 CYS SG 1 1
8 1859 1 1 13 ABA C C 5.001 -1.037 -1.393 1.00 . A A . 13 ABA C 1 1
8 1860 1 1 13 ABA CA C 3.995 -2.109 -1.779 1.00 . A A . 13 ABA CA 1 1
8 1861 1 1 13 ABA CB C 3.870 -3.125 -0.631 1.00 . A A . 13 ABA CB 1 1
8 1862 1 1 13 ABA CG C 4.307 -4.507 -1.094 1.00 . A A . 13 ABA CG 1 1
8 1863 1 1 13 ABA H H 2.062 -1.311 -1.417 1.00 . A A . 13 ABA H 1 1
8 1864 1 1 13 ABA HA H 4.362 -2.629 -2.653 1.00 . A A . 13 ABA HA 1 1
8 1865 1 1 13 ABA HB3 H 2.833 -3.179 -0.338 1.00 . A A . 13 ABA HB3 1 1
8 1866 1 1 13 ABA HG1 H 5.027 -4.910 -0.397 1.00 . A A . 13 ABA HG1 1 1
8 1867 1 1 13 ABA HG2 H 4.758 -4.435 -2.074 1.00 . A A . 13 ABA HG2 1 1
8 1868 1 1 13 ABA HG3 H 3.448 -5.160 -1.141 1.00 . A A . 13 ABA HG3 1 1
8 1869 1 1 13 ABA N N 2.714 -1.505 -2.125 1.00 . A A . 13 ABA N 1 1
8 1870 1 1 13 ABA O O 6.205 -1.296 -1.299 1.00 . A A . 13 ABA O 1 1
8 1871 1 1 14 LEU C C 4.854 1.965 0.416 1.00 . A A . 14 LEU C 1 1
8 1872 1 1 14 LEU CA C 5.343 1.305 -0.864 1.00 . A A . 14 LEU CA 1 1
8 1873 1 1 14 LEU CB C 5.363 2.326 -2.007 1.00 . A A . 14 LEU CB 1 1
8 1874 1 1 14 LEU CD1 C 5.795 2.886 -4.412 1.00 . A A . 14 LEU CD1 1 1
8 1875 1 1 14 LEU CD2 C 7.156 1.133 -3.286 1.00 . A A . 14 LEU CD2 1 1
8 1876 1 1 14 LEU CG C 5.785 1.777 -3.374 1.00 . A A . 14 LEU CG 1 1
8 1877 1 1 14 LEU H H 3.538 0.314 -1.311 1.00 . A A . 14 LEU H 1 1
8 1878 1 1 14 LEU HA H 6.345 0.937 -0.704 1.00 . A A . 14 LEU HA 1 1
8 1879 1 1 14 LEU HB2 H 4.372 2.745 -2.101 1.00 . A A . 14 LEU HB2 1 1
8 1880 1 1 14 LEU HB3 H 6.045 3.119 -1.740 1.00 . A A . 14 LEU HB3 1 1
8 1881 1 1 14 LEU HD11 H 6.674 3.499 -4.276 1.00 . A A . 14 LEU HD11 1 1
8 1882 1 1 14 LEU HD12 H 4.911 3.493 -4.296 1.00 . A A . 14 LEU HD12 1 1
8 1883 1 1 14 LEU HD13 H 5.808 2.453 -5.400 1.00 . A A . 14 LEU HD13 1 1
8 1884 1 1 14 LEU HD21 H 7.079 0.199 -2.753 1.00 . A A . 14 LEU HD21 1 1
8 1885 1 1 14 LEU HD22 H 7.832 1.792 -2.761 1.00 . A A . 14 LEU HD22 1 1
8 1886 1 1 14 LEU HD23 H 7.533 0.950 -4.282 1.00 . A A . 14 LEU HD23 1 1
8 1887 1 1 14 LEU HG H 5.074 1.024 -3.695 1.00 . A A . 14 LEU HG 1 1
8 1888 1 1 14 LEU N N 4.503 0.175 -1.204 1.00 . A A . 14 LEU N 1 1
8 1889 1 1 14 LEU O O 3.927 2.770 0.389 1.00 . A A . 14 LEU O 1 1
8 1890 1 1 15 ABA C C 5.412 1.216 3.949 1.00 . A A . 15 ABA C 1 1
8 1891 1 1 15 ABA CA C 5.136 2.199 2.817 1.00 . A A . 15 ABA CA 1 1
8 1892 1 1 15 ABA CB C 5.920 3.509 3.063 1.00 . A A . 15 ABA CB 1 1
8 1893 1 1 15 ABA CG C 5.076 4.694 2.618 1.00 . A A . 15 ABA CG 1 1
8 1894 1 1 15 ABA H H 6.216 0.967 1.480 1.00 . A A . 15 ABA H 1 1
8 1895 1 1 15 ABA HA H 4.079 2.432 2.807 1.00 . A A . 15 ABA HA 1 1
8 1896 1 1 15 ABA HB3 H 6.097 3.600 4.123 1.00 . A A . 15 ABA HB3 1 1
8 1897 1 1 15 ABA HG1 H 4.446 5.016 3.433 1.00 . A A . 15 ABA HG1 1 1
8 1898 1 1 15 ABA HG2 H 4.459 4.399 1.780 1.00 . A A . 15 ABA HG2 1 1
8 1899 1 1 15 ABA HG3 H 5.723 5.507 2.319 1.00 . A A . 15 ABA HG3 1 1
8 1900 1 1 15 ABA N N 5.481 1.621 1.528 1.00 . A A . 15 ABA N 1 1
8 1901 1 1 15 ABA O O 6.097 0.208 3.752 1.00 . A A . 15 ABA O 1 1
8 1902 1 1 16 DHA C C 4.702 -0.620 6.294 1.00 . A A . 16 DHA C 1 1
8 1903 1 1 16 DHA CA C 5.143 0.729 6.231 1.00 . A A . 16 DHA CA 1 1
8 1904 1 1 16 DHA CB C 5.822 1.237 7.266 1.00 . A A . 16 DHA CB 1 1
8 1905 1 1 16 DHA H H 4.375 2.354 5.186 1.00 . A A . 16 DHA H 1 1
8 1906 1 1 16 DHA HB1 H 6.166 2.262 7.235 1.00 . A A . 16 DHA HB1 1 1
8 1907 1 1 16 DHA HB2 H 6.028 0.625 8.130 1.00 . A A . 16 DHA HB2 1 1
8 1908 1 1 16 DHA N N 4.896 1.524 5.137 1.00 . A A . 16 DHA N 1 1
8 1909 1 1 16 DHA O O 5.144 -1.388 7.152 1.00 . A A . 16 DHA O 1 1
8 1910 1 1 17 GLU C C 4.021 -3.272 4.624 1.00 . A A . 17 GLU C 1 1
8 1911 1 1 17 GLU CA C 3.181 -2.293 5.436 1.00 . A A . 17 GLU CA 1 1
8 1912 1 1 17 GLU CB C 1.750 -2.234 4.877 1.00 . A A . 17 GLU CB 1 1
8 1913 1 1 17 GLU CD C 1.907 -0.534 2.975 1.00 . A A . 17 GLU CD 1 1
8 1914 1 1 17 GLU CG C 1.661 -1.980 3.372 1.00 . A A . 17 GLU CG 1 1
8 1915 1 1 17 GLU H H 3.416 -0.302 4.797 1.00 . A A . 17 GLU H 1 1
8 1916 1 1 17 GLU HA H 3.144 -2.628 6.459 1.00 . A A . 17 GLU HA 1 1
8 1917 1 1 17 GLU HB2 H 1.262 -3.168 5.086 1.00 . A A . 17 GLU HB2 1 1
8 1918 1 1 17 GLU HB3 H 1.217 -1.442 5.381 1.00 . A A . 17 GLU HB3 1 1
8 1919 1 1 17 GLU HG2 H 2.397 -2.596 2.880 1.00 . A A . 17 GLU HG2 1 1
8 1920 1 1 17 GLU HG3 H 0.675 -2.265 3.032 1.00 . A A . 17 GLU HG3 1 1
8 1921 1 1 17 GLU N N 3.776 -0.974 5.421 1.00 . A A . 17 GLU N 1 1
8 1922 1 1 17 GLU O O 3.823 -4.485 4.696 1.00 . A A . 17 GLU O 1 1
8 1923 1 1 17 GLU OE1 O 2.157 0.296 3.871 1.00 . A A . 17 GLU OE1 1 1
8 1924 1 1 17 GLU OE2 O 1.887 -0.223 1.765 1.00 . A A . 17 GLU OE2 1 1
8 1925 1 1 18 CYS C C 7.305 -3.342 3.399 1.00 . A A . 18 CYS C 1 1
8 1926 1 1 18 CYS CA C 5.836 -3.574 3.048 1.00 . A A . 18 CYS CA 1 1
8 1927 1 1 18 CYS CB C 5.565 -3.301 1.571 1.00 . A A . 18 CYS CB 1 1
8 1928 1 1 18 CYS H H 5.094 -1.771 3.864 1.00 . A A . 18 CYS H 1 1
8 1929 1 1 18 CYS HA H 5.591 -4.603 3.261 1.00 . A A . 18 CYS HA 1 1
8 1930 1 1 18 CYS HB2 H 5.728 -2.252 1.372 1.00 . A A . 18 CYS HB2 1 1
8 1931 1 1 18 CYS HB3 H 6.253 -3.881 0.977 1.00 . A A . 18 CYS HB3 1 1
8 1932 1 1 18 CYS N N 4.971 -2.744 3.867 1.00 . A A . 18 CYS N 1 1
8 1933 1 1 18 CYS O O 7.961 -4.216 3.972 1.00 . A A . 18 CYS O 1 1
8 1934 1 1 18 CYS SG S 3.881 -3.721 1.069 1.00 . A A . 18 CYS SG 1 1
8 1935 1 1 19 ILE C C 9.170 -0.623 4.455 1.00 . A A . 19 ILE C 1 1
8 1936 1 1 19 ILE CA C 9.173 -1.800 3.482 1.00 . A A . 19 ILE CA 1 1
8 1937 1 1 19 ILE CB C 10.072 -1.474 2.255 1.00 . A A . 19 ILE CB 1 1
8 1938 1 1 19 ILE CD1 C 9.059 -2.796 0.308 1.00 . A A . 19 ILE CD1 1 1
8 1939 1 1 19 ILE CG1 C 10.184 -2.679 1.311 1.00 . A A . 19 ILE CG1 1 1
8 1940 1 1 19 ILE CG2 C 11.466 -1.054 2.710 1.00 . A A . 19 ILE CG2 1 1
8 1941 1 1 19 ILE H H 7.236 -1.463 2.702 1.00 . A A . 19 ILE H 1 1
8 1942 1 1 19 ILE HA H 9.598 -2.654 3.986 1.00 . A A . 19 ILE HA 1 1
8 1943 1 1 19 ILE HB H 9.628 -0.645 1.723 1.00 . A A . 19 ILE HB 1 1
8 1944 1 1 19 ILE HD11 H 8.112 -2.695 0.817 1.00 . A A . 19 ILE HD11 1 1
8 1945 1 1 19 ILE HD12 H 9.109 -3.760 -0.177 1.00 . A A . 19 ILE HD12 1 1
8 1946 1 1 19 ILE HD13 H 9.155 -2.016 -0.433 1.00 . A A . 19 ILE HD13 1 1
8 1947 1 1 19 ILE HG12 H 11.107 -2.606 0.757 1.00 . A A . 19 ILE HG12 1 1
8 1948 1 1 19 ILE HG13 H 10.196 -3.584 1.900 1.00 . A A . 19 ILE HG13 1 1
8 1949 1 1 19 ILE HG21 H 11.954 -1.890 3.189 1.00 . A A . 19 ILE HG21 1 1
8 1950 1 1 19 ILE HG22 H 11.384 -0.235 3.408 1.00 . A A . 19 ILE HG22 1 1
8 1951 1 1 19 ILE HG23 H 12.048 -0.741 1.854 1.00 . A A . 19 ILE HG23 1 1
8 1952 1 1 19 ILE N N 7.809 -2.147 3.115 1.00 . A A . 19 ILE N 1 1
8 1953 1 1 19 ILE O O 9.166 -0.817 5.673 1.00 . A A . 19 ILE O 1 1
8 1954 1 1 20 TEE CA C 9.161 1.688 4.753 1.00 . A A . 20 TEE CA 1 1
8 1955 1 1 20 TEE CB C 8.228 2.728 4.588 1.00 . A A . 20 TEE CB 1 1
8 1956 1 1 20 TEE HA H 8.531 1.442 5.590 1.00 . A A . 20 TEE HA 1 1
8 1957 1 1 20 TEE HB2 H 8.572 3.737 4.406 1.00 . A A . 20 TEE HB2 1 1
8 1958 1 1 20 TEE HN1 H 9.123 0.658 2.945 1.00 . A A . 20 TEE HN1 1 1
8 1959 1 1 20 TEE N N 9.142 0.597 3.925 1.00 . A A . 20 TEE N 1 1
8 1960 1 1 20 TEE SG S 7.027 4.054 4.380 1.00 . A A . 20 TEE SG 1 1
9 1961 1 1 1 CYS C C -1.359 2.321 1.694 1.00 . A A . 1 CYS C 1 1
9 1962 1 1 1 CYS CA C -0.264 1.484 2.352 1.00 . A A . 1 CYS CA 1 1
9 1963 1 1 1 CYS CB C -0.348 1.588 3.874 1.00 . A A . 1 CYS CB 1 1
9 1964 1 1 1 CYS H1 H 1.795 1.227 2.167 1.00 . A A . 1 CYS H1 1 1
9 1965 1 1 1 CYS H2 H 1.314 2.844 2.365 1.00 . A A . 1 CYS H2 1 1
9 1966 1 1 1 CYS H3 H 1.083 2.067 0.878 1.00 . A A . 1 CYS H3 1 1
9 1967 1 1 1 CYS HA H -0.388 0.451 2.058 1.00 . A A . 1 CYS HA 1 1
9 1968 1 1 1 CYS HB2 H 0.649 1.533 4.284 1.00 . A A . 1 CYS HB2 1 1
9 1969 1 1 1 CYS HB3 H -0.788 2.538 4.136 1.00 . A A . 1 CYS HB3 1 1
9 1970 1 1 1 CYS N N 1.072 1.938 1.907 1.00 . A A . 1 CYS N 1 1
9 1971 1 1 1 CYS O O -1.095 3.448 1.278 1.00 . A A . 1 CYS O 1 1
9 1972 1 1 1 CYS SG S -1.340 0.277 4.610 1.00 . A A . 1 CYS SG 1 1
9 1973 1 1 2 ABA C C -2.082 -0.661 1.277 1.00 . A A . 2 ABA C 1 1
9 1974 1 1 2 ABA CA C -2.919 0.416 1.973 1.00 . A A . 2 ABA CA 1 1
9 1975 1 1 2 ABA CB C -2.765 0.311 3.506 1.00 . A A . 2 ABA CB 1 1
9 1976 1 1 2 ABA CG C -4.045 0.749 4.199 1.00 . A A . 2 ABA CG 1 1
9 1977 1 1 2 ABA H H -3.267 2.300 1.081 1.00 . A A . 2 ABA H 1 1
9 1978 1 1 2 ABA HA H -3.961 0.248 1.729 1.00 . A A . 2 ABA HA 1 1
9 1979 1 1 2 ABA HB3 H -2.585 -0.722 3.754 1.00 . A A . 2 ABA HB3 1 1
9 1980 1 1 2 ABA HG1 H -4.781 -0.038 4.128 1.00 . A A . 2 ABA HG1 1 1
9 1981 1 1 2 ABA HG2 H -4.424 1.639 3.721 1.00 . A A . 2 ABA HG2 1 1
9 1982 1 1 2 ABA HG3 H -3.838 0.958 5.237 1.00 . A A . 2 ABA HG3 1 1
9 1983 1 1 2 ABA N N -2.564 1.759 1.505 1.00 . A A . 2 ABA N 1 1
9 1984 1 1 2 ABA O O -1.449 -0.389 0.253 1.00 . A A . 2 ABA O 1 1
9 1985 1 1 3 PHE C C -1.916 -3.355 -0.135 1.00 . A A . 3 PHE C 1 1
9 1986 1 1 3 PHE CA C -1.340 -2.981 1.231 1.00 . A A . 3 PHE CA 1 1
9 1987 1 1 3 PHE CB C -1.346 -4.202 2.158 1.00 . A A . 3 PHE CB 1 1
9 1988 1 1 3 PHE CD1 C 0.635 -5.239 1.018 1.00 . A A . 3 PHE CD1 1 1
9 1989 1 1 3 PHE CD2 C -1.188 -6.653 1.622 1.00 . A A . 3 PHE CD2 1 1
9 1990 1 1 3 PHE CE1 C 1.314 -6.331 0.510 1.00 . A A . 3 PHE CE1 1 1
9 1991 1 1 3 PHE CE2 C -0.516 -7.745 1.112 1.00 . A A . 3 PHE CE2 1 1
9 1992 1 1 3 PHE CG C -0.619 -5.387 1.585 1.00 . A A . 3 PHE CG 1 1
9 1993 1 1 3 PHE CZ C 0.712 -7.571 0.499 1.00 . A A . 3 PHE CZ 1 1
9 1994 1 1 3 PHE H H -2.621 -2.036 2.631 1.00 . A A . 3 PHE H 1 1
9 1995 1 1 3 PHE HA H -0.321 -2.653 1.095 1.00 . A A . 3 PHE HA 1 1
9 1996 1 1 3 PHE HB2 H -0.871 -3.939 3.090 1.00 . A A . 3 PHE HB2 1 1
9 1997 1 1 3 PHE HB3 H -2.368 -4.496 2.348 1.00 . A A . 3 PHE HB3 1 1
9 1998 1 1 3 PHE HD1 H 1.088 -4.261 0.983 1.00 . A A . 3 PHE HD1 1 1
9 1999 1 1 3 PHE HD2 H -2.168 -6.781 2.059 1.00 . A A . 3 PHE HD2 1 1
9 2000 1 1 3 PHE HE1 H 2.291 -6.203 0.072 1.00 . A A . 3 PHE HE1 1 1
9 2001 1 1 3 PHE HE2 H -0.970 -8.724 1.147 1.00 . A A . 3 PHE HE2 1 1
9 2002 1 1 3 PHE HZ H 1.225 -8.417 0.070 1.00 . A A . 3 PHE HZ 1 1
9 2003 1 1 3 PHE N N -2.084 -1.873 1.822 1.00 . A A . 3 PHE N 1 1
9 2004 1 1 3 PHE O O -2.787 -4.218 -0.250 1.00 . A A . 3 PHE O 1 1
9 2005 1 1 4 ABA C C -2.814 -1.857 -3.018 1.00 . A A . 4 ABA C 1 1
9 2006 1 1 4 ABA CA C -1.879 -2.953 -2.522 1.00 . A A . 4 ABA CA 1 1
9 2007 1 1 4 ABA CB C -0.680 -3.075 -3.481 1.00 . A A . 4 ABA CB 1 1
9 2008 1 1 4 ABA CG C -0.237 -4.523 -3.602 1.00 . A A . 4 ABA CG 1 1
9 2009 1 1 4 ABA H H -0.763 -1.988 -1.012 1.00 . A A . 4 ABA H 1 1
9 2010 1 1 4 ABA HA H -2.408 -3.893 -2.519 1.00 . A A . 4 ABA HA 1 1
9 2011 1 1 4 ABA HB3 H -0.979 -2.725 -4.459 1.00 . A A . 4 ABA HB3 1 1
9 2012 1 1 4 ABA HG1 H -0.509 -4.904 -4.575 1.00 . A A . 4 ABA HG1 1 1
9 2013 1 1 4 ABA HG2 H -0.721 -5.113 -2.836 1.00 . A A . 4 ABA HG2 1 1
9 2014 1 1 4 ABA HG3 H 0.834 -4.582 -3.479 1.00 . A A . 4 ABA HG3 1 1
9 2015 1 1 4 ABA N N -1.434 -2.685 -1.168 1.00 . A A . 4 ABA N 1 1
9 2016 1 1 4 ABA O O -3.110 -1.774 -4.211 1.00 . A A . 4 ABA O 1 1
9 2017 1 1 5 LEU C C -3.894 1.351 -1.987 1.00 . A A . 5 LEU C 1 1
9 2018 1 1 5 LEU CA C -4.318 -0.039 -2.442 1.00 . A A . 5 LEU CA 1 1
9 2019 1 1 5 LEU CB C -5.684 -0.389 -1.868 1.00 . A A . 5 LEU CB 1 1
9 2020 1 1 5 LEU CD1 C -7.632 -1.953 -1.833 1.00 . A A . 5 LEU CD1 1 1
9 2021 1 1 5 LEU CD2 C -6.790 -1.038 -4.006 1.00 . A A . 5 LEU CD2 1 1
9 2022 1 1 5 LEU CG C -6.406 -1.503 -2.612 1.00 . A A . 5 LEU CG 1 1
9 2023 1 1 5 LEU H H -3.122 -1.212 -1.148 1.00 . A A . 5 LEU H 1 1
9 2024 1 1 5 LEU HA H -4.395 -0.030 -3.520 1.00 . A A . 5 LEU HA 1 1
9 2025 1 1 5 LEU HB2 H -5.554 -0.693 -0.839 1.00 . A A . 5 LEU HB2 1 1
9 2026 1 1 5 LEU HB3 H -6.303 0.496 -1.893 1.00 . A A . 5 LEU HB3 1 1
9 2027 1 1 5 LEU HD11 H -8.381 -1.176 -1.857 1.00 . A A . 5 LEU HD11 1 1
9 2028 1 1 5 LEU HD12 H -7.352 -2.151 -0.809 1.00 . A A . 5 LEU HD12 1 1
9 2029 1 1 5 LEU HD13 H -8.032 -2.854 -2.277 1.00 . A A . 5 LEU HD13 1 1
9 2030 1 1 5 LEU HD21 H -5.960 -0.496 -4.445 1.00 . A A . 5 LEU HD21 1 1
9 2031 1 1 5 LEU HD22 H -7.653 -0.390 -3.946 1.00 . A A . 5 LEU HD22 1 1
9 2032 1 1 5 LEU HD23 H -7.025 -1.894 -4.619 1.00 . A A . 5 LEU HD23 1 1
9 2033 1 1 5 LEU HG H -5.737 -2.343 -2.715 1.00 . A A . 5 LEU HG 1 1
9 2034 1 1 5 LEU N N -3.344 -1.065 -2.091 1.00 . A A . 5 LEU N 1 1
9 2035 1 1 5 LEU O O -4.270 1.813 -0.911 1.00 . A A . 5 LEU O 1 1
9 2036 1 1 6 PRO C C -3.970 4.401 -2.728 1.00 . A A . 6 PRO C 1 1
9 2037 1 1 6 PRO CA C -2.777 3.448 -2.628 1.00 . A A . 6 PRO CA 1 1
9 2038 1 1 6 PRO CB C -1.775 3.720 -3.750 1.00 . A A . 6 PRO CB 1 1
9 2039 1 1 6 PRO CD C -2.769 1.571 -4.179 1.00 . A A . 6 PRO CD 1 1
9 2040 1 1 6 PRO CG C -2.114 2.754 -4.834 1.00 . A A . 6 PRO CG 1 1
9 2041 1 1 6 PRO HA H -2.296 3.574 -1.669 1.00 . A A . 6 PRO HA 1 1
9 2042 1 1 6 PRO HB2 H -1.880 4.741 -4.088 1.00 . A A . 6 PRO HB2 1 1
9 2043 1 1 6 PRO HB3 H -0.773 3.559 -3.383 1.00 . A A . 6 PRO HB3 1 1
9 2044 1 1 6 PRO HD2 H -3.633 1.252 -4.740 1.00 . A A . 6 PRO HD2 1 1
9 2045 1 1 6 PRO HD3 H -2.069 0.760 -4.084 1.00 . A A . 6 PRO HD3 1 1
9 2046 1 1 6 PRO HG2 H -2.794 3.214 -5.531 1.00 . A A . 6 PRO HG2 1 1
9 2047 1 1 6 PRO HG3 H -1.212 2.447 -5.341 1.00 . A A . 6 PRO HG3 1 1
9 2048 1 1 6 PRO N N -3.171 2.059 -2.855 1.00 . A A . 6 PRO N 1 1
9 2049 1 1 6 PRO O O -4.349 4.834 -3.821 1.00 . A A . 6 PRO O 1 1
9 2050 1 1 7 GLY C C -5.747 6.649 -0.682 1.00 . A A . 7 GLY C 1 1
9 2051 1 1 7 GLY CA C -5.826 5.452 -1.609 1.00 . A A . 7 GLY CA 1 1
9 2052 1 1 7 GLY H H -4.329 4.205 -0.770 1.00 . A A . 7 GLY H 1 1
9 2053 1 1 7 GLY HA2 H -6.000 5.805 -2.616 1.00 . A A . 7 GLY HA2 1 1
9 2054 1 1 7 GLY HA3 H -6.660 4.838 -1.309 1.00 . A A . 7 GLY HA3 1 1
9 2055 1 1 7 GLY N N -4.623 4.641 -1.603 1.00 . A A . 7 GLY N 1 1
9 2056 1 1 7 GLY O O -6.758 7.063 -0.108 1.00 . A A . 7 GLY O 1 1
9 2057 1 1 8 GLY C C -3.390 8.150 1.411 1.00 . A A . 8 GLY C 1 1
9 2058 1 1 8 GLY CA C -4.399 8.380 0.308 1.00 . A A . 8 GLY CA 1 1
9 2059 1 1 8 GLY H H -3.789 6.857 -1.029 1.00 . A A . 8 GLY H 1 1
9 2060 1 1 8 GLY HA2 H -4.071 9.212 -0.298 1.00 . A A . 8 GLY HA2 1 1
9 2061 1 1 8 GLY HA3 H -5.353 8.626 0.752 1.00 . A A . 8 GLY HA3 1 1
9 2062 1 1 8 GLY N N -4.562 7.220 -0.541 1.00 . A A . 8 GLY N 1 1
9 2063 1 1 8 GLY O O -3.722 8.231 2.595 1.00 . A A . 8 GLY O 1 1
9 2064 1 1 9 GLY C C 0.163 7.140 1.315 1.00 . A A . 9 GLY C 1 1
9 2065 1 1 9 GLY CA C -1.123 7.555 1.989 1.00 . A A . 9 GLY CA 1 1
9 2066 1 1 9 GLY H H -1.980 7.722 0.062 1.00 . A A . 9 GLY H 1 1
9 2067 1 1 9 GLY HA2 H -0.947 8.452 2.567 1.00 . A A . 9 GLY HA2 1 1
9 2068 1 1 9 GLY HA3 H -1.443 6.766 2.654 1.00 . A A . 9 GLY HA3 1 1
9 2069 1 1 9 GLY N N -2.171 7.813 1.024 1.00 . A A . 9 GLY N 1 1
9 2070 1 1 9 GLY O O 0.954 7.987 0.893 1.00 . A A . 9 GLY O 1 1
9 2071 1 1 10 GLY C C 0.997 4.750 -0.972 1.00 . A A . 10 GLY C 1 1
9 2072 1 1 10 GLY CA C 1.433 5.343 0.345 1.00 . A A . 10 GLY CA 1 1
9 2073 1 1 10 GLY H H -0.427 5.233 1.325 1.00 . A A . 10 GLY H 1 1
9 2074 1 1 10 GLY HA2 H 2.123 6.152 0.160 1.00 . A A . 10 GLY HA2 1 1
9 2075 1 1 10 GLY HA3 H 1.927 4.580 0.928 1.00 . A A . 10 GLY HA3 1 1
9 2076 1 1 10 GLY N N 0.301 5.845 1.082 1.00 . A A . 10 GLY N 1 1
9 2077 1 1 10 GLY O O -0.078 5.076 -1.475 1.00 . A A . 10 GLY O 1 1
9 2078 1 1 11 VAL C C 1.496 1.694 -2.612 1.00 . A A . 11 VAL C 1 1
9 2079 1 1 11 VAL CA C 1.457 3.216 -2.781 1.00 . A A . 11 VAL CA 1 1
9 2080 1 1 11 VAL CB C 2.415 3.661 -3.919 1.00 . A A . 11 VAL CB 1 1
9 2081 1 1 11 VAL CG1 C 1.823 3.373 -5.292 1.00 . A A . 11 VAL CG1 1 1
9 2082 1 1 11 VAL CG2 C 2.760 5.139 -3.795 1.00 . A A . 11 VAL CG2 1 1
9 2083 1 1 11 VAL H H 2.631 3.608 -1.060 1.00 . A A . 11 VAL H 1 1
9 2084 1 1 11 VAL HA H 0.450 3.515 -3.041 1.00 . A A . 11 VAL HA 1 1
9 2085 1 1 11 VAL HB H 3.331 3.098 -3.827 1.00 . A A . 11 VAL HB 1 1
9 2086 1 1 11 VAL HG11 H 1.826 4.279 -5.883 1.00 . A A . 11 VAL HG11 1 1
9 2087 1 1 11 VAL HG12 H 0.808 3.021 -5.180 1.00 . A A . 11 VAL HG12 1 1
9 2088 1 1 11 VAL HG13 H 2.413 2.617 -5.789 1.00 . A A . 11 VAL HG13 1 1
9 2089 1 1 11 VAL HG21 H 3.769 5.303 -4.139 1.00 . A A . 11 VAL HG21 1 1
9 2090 1 1 11 VAL HG22 H 2.679 5.442 -2.762 1.00 . A A . 11 VAL HG22 1 1
9 2091 1 1 11 VAL HG23 H 2.075 5.722 -4.395 1.00 . A A . 11 VAL HG23 1 1
9 2092 1 1 11 VAL N N 1.798 3.858 -1.521 1.00 . A A . 11 VAL N 1 1
9 2093 1 1 11 VAL O O 1.816 1.198 -1.532 1.00 . A A . 11 VAL O 1 1
9 2094 1 1 12 CYS C C 2.497 -1.067 -3.405 1.00 . A A . 12 CYS C 1 1
9 2095 1 1 12 CYS CA C 1.098 -0.492 -3.613 1.00 . A A . 12 CYS CA 1 1
9 2096 1 1 12 CYS CB C 0.522 -1.041 -4.915 1.00 . A A . 12 CYS CB 1 1
9 2097 1 1 12 CYS H H 0.860 1.420 -4.483 1.00 . A A . 12 CYS H 1 1
9 2098 1 1 12 CYS HA H 0.465 -0.791 -2.793 1.00 . A A . 12 CYS HA 1 1
9 2099 1 1 12 CYS HB2 H -0.452 -0.604 -5.078 1.00 . A A . 12 CYS HB2 1 1
9 2100 1 1 12 CYS HB3 H 1.177 -0.757 -5.723 1.00 . A A . 12 CYS HB3 1 1
9 2101 1 1 12 CYS N N 1.124 0.966 -3.655 1.00 . A A . 12 CYS N 1 1
9 2102 1 1 12 CYS O O 3.314 -1.070 -4.325 1.00 . A A . 12 CYS O 1 1
9 2103 1 1 12 CYS SG S 0.352 -2.834 -4.939 1.00 . A A . 12 CYS SG 1 1
9 2104 1 1 13 ABA C C 5.046 -0.969 -1.446 1.00 . A A . 13 ABA C 1 1
9 2105 1 1 13 ABA CA C 4.097 -2.068 -1.888 1.00 . A A . 13 ABA CA 1 1
9 2106 1 1 13 ABA CB C 4.021 -3.148 -0.799 1.00 . A A . 13 ABA CB 1 1
9 2107 1 1 13 ABA CG C 4.016 -4.533 -1.426 1.00 . A A . 13 ABA CG 1 1
9 2108 1 1 13 ABA H H 2.123 -1.433 -1.473 1.00 . A A . 13 ABA H 1 1
9 2109 1 1 13 ABA HA H 4.484 -2.522 -2.789 1.00 . A A . 13 ABA HA 1 1
9 2110 1 1 13 ABA HB3 H 4.898 -3.065 -0.179 1.00 . A A . 13 ABA HB3 1 1
9 2111 1 1 13 ABA HG1 H 5.034 -4.862 -1.577 1.00 . A A . 13 ABA HG1 1 1
9 2112 1 1 13 ABA HG2 H 3.506 -4.495 -2.376 1.00 . A A . 13 ABA HG2 1 1
9 2113 1 1 13 ABA HG3 H 3.507 -5.224 -0.770 1.00 . A A . 13 ABA HG3 1 1
9 2114 1 1 13 ABA N N 2.789 -1.510 -2.191 1.00 . A A . 13 ABA N 1 1
9 2115 1 1 13 ABA O O 6.252 -1.183 -1.315 1.00 . A A . 13 ABA O 1 1
9 2116 1 1 14 LEU C C 4.791 1.993 0.378 1.00 . A A . 14 LEU C 1 1
9 2117 1 1 14 LEU CA C 5.295 1.380 -0.923 1.00 . A A . 14 LEU CA 1 1
9 2118 1 1 14 LEU CB C 5.265 2.417 -2.054 1.00 . A A . 14 LEU CB 1 1
9 2119 1 1 14 LEU CD1 C 5.672 3.027 -4.458 1.00 . A A . 14 LEU CD1 1 1
9 2120 1 1 14 LEU CD2 C 6.988 1.186 -3.414 1.00 . A A . 14 LEU CD2 1 1
9 2121 1 1 14 LEU CG C 5.641 1.889 -3.449 1.00 . A A . 14 LEU CG 1 1
9 2122 1 1 14 LEU H H 3.534 0.333 -1.420 1.00 . A A . 14 LEU H 1 1
9 2123 1 1 14 LEU HA H 6.313 1.048 -0.778 1.00 . A A . 14 LEU HA 1 1
9 2124 1 1 14 LEU HB2 H 4.267 2.829 -2.105 1.00 . A A . 14 LEU HB2 1 1
9 2125 1 1 14 LEU HB3 H 5.949 3.212 -1.800 1.00 . A A . 14 LEU HB3 1 1
9 2126 1 1 14 LEU HD11 H 6.536 3.647 -4.274 1.00 . A A . 14 LEU HD11 1 1
9 2127 1 1 14 LEU HD12 H 4.775 3.620 -4.358 1.00 . A A . 14 LEU HD12 1 1
9 2128 1 1 14 LEU HD13 H 5.725 2.620 -5.456 1.00 . A A . 14 LEU HD13 1 1
9 2129 1 1 14 LEU HD21 H 7.103 0.580 -4.303 1.00 . A A . 14 LEU HD21 1 1
9 2130 1 1 14 LEU HD22 H 7.042 0.553 -2.540 1.00 . A A . 14 LEU HD22 1 1
9 2131 1 1 14 LEU HD23 H 7.779 1.921 -3.376 1.00 . A A . 14 LEU HD23 1 1
9 2132 1 1 14 LEU HG H 4.891 1.175 -3.774 1.00 . A A . 14 LEU HG 1 1
9 2133 1 1 14 LEU N N 4.500 0.223 -1.276 1.00 . A A . 14 LEU N 1 1
9 2134 1 1 14 LEU O O 3.773 2.693 0.400 1.00 . A A . 14 LEU O 1 1
9 2135 1 1 15 ABA C C 5.333 1.104 3.840 1.00 . A A . 15 ABA C 1 1
9 2136 1 1 15 ABA CA C 5.115 2.182 2.785 1.00 . A A . 15 ABA CA 1 1
9 2137 1 1 15 ABA CB C 5.912 3.450 3.186 1.00 . A A . 15 ABA CB 1 1
9 2138 1 1 15 ABA CG C 6.819 3.891 2.057 1.00 . A A . 15 ABA CG 1 1
9 2139 1 1 15 ABA H H 6.259 1.083 1.387 1.00 . A A . 15 ABA H 1 1
9 2140 1 1 15 ABA HA H 4.068 2.436 2.762 1.00 . A A . 15 ABA HA 1 1
9 2141 1 1 15 ABA HB3 H 6.525 3.203 4.038 1.00 . A A . 15 ABA HB3 1 1
9 2142 1 1 15 ABA HG1 H 7.785 4.154 2.458 1.00 . A A . 15 ABA HG1 1 1
9 2143 1 1 15 ABA HG2 H 6.387 4.748 1.564 1.00 . A A . 15 ABA HG2 1 1
9 2144 1 1 15 ABA HG3 H 6.928 3.084 1.352 1.00 . A A . 15 ABA HG3 1 1
9 2145 1 1 15 ABA N N 5.486 1.690 1.466 1.00 . A A . 15 ABA N 1 1
9 2146 1 1 15 ABA O O 5.908 0.047 3.559 1.00 . A A . 15 ABA O 1 1
9 2147 1 1 16 DHA C C 4.615 -0.737 6.173 1.00 . A A . 16 DHA C 1 1
9 2148 1 1 16 DHA CA C 5.162 0.570 6.122 1.00 . A A . 16 DHA CA 1 1
9 2149 1 1 16 DHA CB C 5.927 0.991 7.138 1.00 . A A . 16 DHA CB 1 1
9 2150 1 1 16 DHA H H 4.557 2.326 5.170 1.00 . A A . 16 DHA H 1 1
9 2151 1 1 16 DHA HB1 H 6.354 1.983 7.119 1.00 . A A . 16 DHA HB1 1 1
9 2152 1 1 16 DHA HB2 H 6.117 0.337 7.977 1.00 . A A . 16 DHA HB2 1 1
9 2153 1 1 16 DHA N N 4.937 1.421 5.064 1.00 . A A . 16 DHA N 1 1
9 2154 1 1 16 DHA O O 4.950 -1.520 7.063 1.00 . A A . 16 DHA O 1 1
9 2155 1 1 17 GLU C C 3.989 -3.351 4.450 1.00 . A A . 17 GLU C 1 1
9 2156 1 1 17 GLU CA C 3.109 -2.364 5.206 1.00 . A A . 17 GLU CA 1 1
9 2157 1 1 17 GLU CB C 1.725 -2.270 4.549 1.00 . A A . 17 GLU CB 1 1
9 2158 1 1 17 GLU CD C 2.169 -0.859 2.455 1.00 . A A . 17 GLU CD 1 1
9 2159 1 1 17 GLU CG C 1.741 -2.206 3.021 1.00 . A A . 17 GLU CG 1 1
9 2160 1 1 17 GLU H H 3.489 -0.396 4.549 1.00 . A A . 17 GLU H 1 1
9 2161 1 1 17 GLU HA H 2.996 -2.701 6.225 1.00 . A A . 17 GLU HA 1 1
9 2162 1 1 17 GLU HB2 H 1.150 -3.132 4.839 1.00 . A A . 17 GLU HB2 1 1
9 2163 1 1 17 GLU HB3 H 1.228 -1.384 4.914 1.00 . A A . 17 GLU HB3 1 1
9 2164 1 1 17 GLU HG2 H 2.423 -2.959 2.656 1.00 . A A . 17 GLU HG2 1 1
9 2165 1 1 17 GLU HG3 H 0.746 -2.429 2.660 1.00 . A A . 17 GLU HG3 1 1
9 2166 1 1 17 GLU N N 3.742 -1.061 5.233 1.00 . A A . 17 GLU N 1 1
9 2167 1 1 17 GLU O O 3.809 -4.566 4.540 1.00 . A A . 17 GLU O 1 1
9 2168 1 1 17 GLU OE1 O 2.488 0.048 3.254 1.00 . A A . 17 GLU OE1 1 1
9 2169 1 1 17 GLU OE2 O 2.228 -0.707 1.217 1.00 . A A . 17 GLU OE2 1 1
9 2170 1 1 18 CYS C C 7.302 -3.375 3.343 1.00 . A A . 18 CYS C 1 1
9 2171 1 1 18 CYS CA C 5.855 -3.626 2.929 1.00 . A A . 18 CYS CA 1 1
9 2172 1 1 18 CYS CB C 5.640 -3.336 1.446 1.00 . A A . 18 CYS CB 1 1
9 2173 1 1 18 CYS H H 5.040 -1.836 3.692 1.00 . A A . 18 CYS H 1 1
9 2174 1 1 18 CYS HA H 5.617 -4.660 3.122 1.00 . A A . 18 CYS HA 1 1
9 2175 1 1 18 CYS HB2 H 5.738 -2.273 1.281 1.00 . A A . 18 CYS HB2 1 1
9 2176 1 1 18 CYS HB3 H 6.394 -3.852 0.873 1.00 . A A . 18 CYS HB3 1 1
9 2177 1 1 18 CYS N N 4.947 -2.813 3.714 1.00 . A A . 18 CYS N 1 1
9 2178 1 1 18 CYS O O 7.967 -4.276 3.857 1.00 . A A . 18 CYS O 1 1
9 2179 1 1 18 CYS SG S 4.018 -3.854 0.854 1.00 . A A . 18 CYS SG 1 1
9 2180 1 1 19 ILE C C 9.107 -0.640 4.578 1.00 . A A . 19 ILE C 1 1
9 2181 1 1 19 ILE CA C 9.126 -1.785 3.564 1.00 . A A . 19 ILE CA 1 1
9 2182 1 1 19 ILE CB C 10.010 -1.399 2.354 1.00 . A A . 19 ILE CB 1 1
9 2183 1 1 19 ILE CD1 C 10.878 -2.244 0.109 1.00 . A A . 19 ILE CD1 1 1
9 2184 1 1 19 ILE CG1 C 10.018 -2.529 1.319 1.00 . A A . 19 ILE CG1 1 1
9 2185 1 1 19 ILE CG2 C 11.430 -1.088 2.813 1.00 . A A . 19 ILE CG2 1 1
9 2186 1 1 19 ILE H H 7.189 -1.459 2.770 1.00 . A A . 19 ILE H 1 1
9 2187 1 1 19 ILE HA H 9.568 -2.652 4.037 1.00 . A A . 19 ILE HA 1 1
9 2188 1 1 19 ILE HB H 9.599 -0.508 1.903 1.00 . A A . 19 ILE HB 1 1
9 2189 1 1 19 ILE HD11 H 10.685 -2.984 -0.653 1.00 . A A . 19 ILE HD11 1 1
9 2190 1 1 19 ILE HD12 H 11.920 -2.279 0.392 1.00 . A A . 19 ILE HD12 1 1
9 2191 1 1 19 ILE HD13 H 10.641 -1.263 -0.276 1.00 . A A . 19 ILE HD13 1 1
9 2192 1 1 19 ILE HG12 H 10.393 -3.431 1.781 1.00 . A A . 19 ILE HG12 1 1
9 2193 1 1 19 ILE HG13 H 9.008 -2.701 0.975 1.00 . A A . 19 ILE HG13 1 1
9 2194 1 1 19 ILE HG21 H 11.394 -0.443 3.679 1.00 . A A . 19 ILE HG21 1 1
9 2195 1 1 19 ILE HG22 H 11.966 -0.591 2.016 1.00 . A A . 19 ILE HG22 1 1
9 2196 1 1 19 ILE HG23 H 11.936 -2.007 3.068 1.00 . A A . 19 ILE HG23 1 1
9 2197 1 1 19 ILE N N 7.772 -2.148 3.162 1.00 . A A . 19 ILE N 1 1
9 2198 1 1 19 ILE O O 9.239 -0.870 5.779 1.00 . A A . 19 ILE O 1 1
9 2199 1 1 20 TEE CA C 9.039 1.656 4.967 1.00 . A A . 20 TEE CA 1 1
9 2200 1 1 20 TEE CB C 8.107 2.709 4.872 1.00 . A A . 20 TEE CB 1 1
9 2201 1 1 20 TEE HA H 8.122 1.316 5.431 1.00 . A A . 20 TEE HA 1 1
9 2202 1 1 20 TEE HB2 H 7.143 2.536 4.421 1.00 . A A . 20 TEE HB2 1 1
9 2203 1 1 20 TEE HN1 H 8.931 0.690 3.122 1.00 . A A . 20 TEE HN1 1 1
9 2204 1 1 20 TEE N N 8.996 0.594 4.096 1.00 . A A . 20 TEE N 1 1
9 2205 1 1 20 TEE SG S 6.720 3.857 4.748 1.00 . A A . 20 TEE SG 1 1
10 2206 1 1 1 CYS C C -1.594 2.060 1.919 1.00 . A A . 1 CYS C 1 1
10 2207 1 1 1 CYS CA C -0.393 1.406 2.587 1.00 . A A . 1 CYS CA 1 1
10 2208 1 1 1 CYS CB C -0.373 1.715 4.083 1.00 . A A . 1 CYS CB 1 1
10 2209 1 1 1 CYS H1 H 1.605 1.129 2.079 1.00 . A A . 1 CYS H1 1 1
10 2210 1 1 1 CYS H2 H 1.203 2.736 2.444 1.00 . A A . 1 CYS H2 1 1
10 2211 1 1 1 CYS H3 H 0.732 2.058 0.966 1.00 . A A . 1 CYS H3 1 1
10 2212 1 1 1 CYS HA H -0.460 0.334 2.450 1.00 . A A . 1 CYS HA 1 1
10 2213 1 1 1 CYS HB2 H 0.409 1.136 4.551 1.00 . A A . 1 CYS HB2 1 1
10 2214 1 1 1 CYS HB3 H -0.167 2.766 4.220 1.00 . A A . 1 CYS HB3 1 1
10 2215 1 1 1 CYS N N 0.872 1.865 1.974 1.00 . A A . 1 CYS N 1 1
10 2216 1 1 1 CYS O O -1.488 3.180 1.416 1.00 . A A . 1 CYS O 1 1
10 2217 1 1 1 CYS SG S -1.931 1.332 4.906 1.00 . A A . 1 CYS SG 1 1
10 2218 1 1 2 ABA C C -2.030 -1.025 1.618 1.00 . A A . 2 ABA C 1 1
10 2219 1 1 2 ABA CA C -2.865 -0.008 2.402 1.00 . A A . 2 ABA CA 1 1
10 2220 1 1 2 ABA CB C -2.487 -0.062 3.902 1.00 . A A . 2 ABA CB 1 1
10 2221 1 1 2 ABA CG C -3.717 0.176 4.767 1.00 . A A . 2 ABA CG 1 1
10 2222 1 1 2 ABA H H -3.503 1.745 1.402 1.00 . A A . 2 ABA H 1 1
10 2223 1 1 2 ABA HA H -3.906 -0.286 2.312 1.00 . A A . 2 ABA HA 1 1
10 2224 1 1 2 ABA HB3 H -2.110 -1.050 4.121 1.00 . A A . 2 ABA HB3 1 1
10 2225 1 1 2 ABA HG1 H -4.033 -0.757 5.209 1.00 . A A . 2 ABA HG1 1 1
10 2226 1 1 2 ABA HG2 H -4.513 0.574 4.157 1.00 . A A . 2 ABA HG2 1 1
10 2227 1 1 2 ABA HG3 H -3.475 0.880 5.547 1.00 . A A . 2 ABA HG3 1 1
10 2228 1 1 2 ABA N N -2.725 1.344 1.847 1.00 . A A . 2 ABA N 1 1
10 2229 1 1 2 ABA O O -1.277 -0.654 0.715 1.00 . A A . 2 ABA O 1 1
10 2230 1 1 3 PHE C C -1.970 -3.584 -0.156 1.00 . A A . 3 PHE C 1 1
10 2231 1 1 3 PHE CA C -1.442 -3.356 1.259 1.00 . A A . 3 PHE CA 1 1
10 2232 1 1 3 PHE CB C -1.513 -4.655 2.066 1.00 . A A . 3 PHE CB 1 1
10 2233 1 1 3 PHE CD1 C 0.544 -5.598 0.970 1.00 . A A . 3 PHE CD1 1 1
10 2234 1 1 3 PHE CD2 C -1.293 -7.061 1.381 1.00 . A A . 3 PHE CD2 1 1
10 2235 1 1 3 PHE CE1 C 1.258 -6.646 0.421 1.00 . A A . 3 PHE CE1 1 1
10 2236 1 1 3 PHE CE2 C -0.585 -8.111 0.831 1.00 . A A . 3 PHE CE2 1 1
10 2237 1 1 3 PHE CG C -0.741 -5.793 1.455 1.00 . A A . 3 PHE CG 1 1
10 2238 1 1 3 PHE CZ C 0.677 -7.886 0.299 1.00 . A A . 3 PHE CZ 1 1
10 2239 1 1 3 PHE H H -2.818 -2.548 2.654 1.00 . A A . 3 PHE H 1 1
10 2240 1 1 3 PHE HA H -0.409 -3.042 1.196 1.00 . A A . 3 PHE HA 1 1
10 2241 1 1 3 PHE HB2 H -1.116 -4.475 3.055 1.00 . A A . 3 PHE HB2 1 1
10 2242 1 1 3 PHE HB3 H -2.544 -4.959 2.149 1.00 . A A . 3 PHE HB3 1 1
10 2243 1 1 3 PHE HD1 H 0.984 -4.613 1.018 1.00 . A A . 3 PHE HD1 1 1
10 2244 1 1 3 PHE HD2 H -2.294 -7.225 1.754 1.00 . A A . 3 PHE HD2 1 1
10 2245 1 1 3 PHE HE1 H 2.256 -6.482 0.043 1.00 . A A . 3 PHE HE1 1 1
10 2246 1 1 3 PHE HE2 H -1.031 -9.094 0.776 1.00 . A A . 3 PHE HE2 1 1
10 2247 1 1 3 PHE HZ H 1.227 -8.697 -0.153 1.00 . A A . 3 PHE HZ 1 1
10 2248 1 1 3 PHE N N -2.185 -2.303 1.938 1.00 . A A . 3 PHE N 1 1
10 2249 1 1 3 PHE O O -2.786 -4.475 -0.396 1.00 . A A . 3 PHE O 1 1
10 2250 1 1 4 ABA C C -2.717 -1.734 -2.951 1.00 . A A . 4 ABA C 1 1
10 2251 1 1 4 ABA CA C -1.884 -2.924 -2.486 1.00 . A A . 4 ABA CA 1 1
10 2252 1 1 4 ABA CB C -0.653 -3.074 -3.402 1.00 . A A . 4 ABA CB 1 1
10 2253 1 1 4 ABA CG C -0.245 -4.534 -3.517 1.00 . A A . 4 ABA CG 1 1
10 2254 1 1 4 ABA H H -0.850 -2.082 -0.839 1.00 . A A . 4 ABA H 1 1
10 2255 1 1 4 ABA HA H -2.482 -3.819 -2.573 1.00 . A A . 4 ABA HA 1 1
10 2256 1 1 4 ABA HB3 H -0.914 -2.716 -4.389 1.00 . A A . 4 ABA HB3 1 1
10 2257 1 1 4 ABA HG1 H 0.456 -4.776 -2.730 1.00 . A A . 4 ABA HG1 1 1
10 2258 1 1 4 ABA HG2 H 0.219 -4.704 -4.477 1.00 . A A . 4 ABA HG2 1 1
10 2259 1 1 4 ABA HG3 H -1.120 -5.160 -3.426 1.00 . A A . 4 ABA HG3 1 1
10 2260 1 1 4 ABA N N -1.492 -2.782 -1.092 1.00 . A A . 4 ABA N 1 1
10 2261 1 1 4 ABA O O -2.821 -1.464 -4.146 1.00 . A A . 4 ABA O 1 1
10 2262 1 1 5 LEU C C -3.736 1.362 -1.827 1.00 . A A . 5 LEU C 1 1
10 2263 1 1 5 LEU CA C -4.260 0.030 -2.333 1.00 . A A . 5 LEU CA 1 1
10 2264 1 1 5 LEU CB C -5.648 -0.239 -1.760 1.00 . A A . 5 LEU CB 1 1
10 2265 1 1 5 LEU CD1 C -7.556 -1.849 -1.652 1.00 . A A . 5 LEU CD1 1 1
10 2266 1 1 5 LEU CD2 C -7.039 -0.669 -3.784 1.00 . A A . 5 LEU CD2 1 1
10 2267 1 1 5 LEU CG C -6.452 -1.280 -2.525 1.00 . A A . 5 LEU CG 1 1
10 2268 1 1 5 LEU H H -3.266 -1.343 -1.070 1.00 . A A . 5 LEU H 1 1
10 2269 1 1 5 LEU HA H -4.334 0.078 -3.409 1.00 . A A . 5 LEU HA 1 1
10 2270 1 1 5 LEU HB2 H -5.537 -0.574 -0.739 1.00 . A A . 5 LEU HB2 1 1
10 2271 1 1 5 LEU HB3 H -6.202 0.688 -1.762 1.00 . A A . 5 LEU HB3 1 1
10 2272 1 1 5 LEU HD11 H -7.461 -1.457 -0.651 1.00 . A A . 5 LEU HD11 1 1
10 2273 1 1 5 LEU HD12 H -7.473 -2.926 -1.626 1.00 . A A . 5 LEU HD12 1 1
10 2274 1 1 5 LEU HD13 H -8.515 -1.571 -2.062 1.00 . A A . 5 LEU HD13 1 1
10 2275 1 1 5 LEU HD21 H -8.106 -0.544 -3.661 1.00 . A A . 5 LEU HD21 1 1
10 2276 1 1 5 LEU HD22 H -6.847 -1.323 -4.624 1.00 . A A . 5 LEU HD22 1 1
10 2277 1 1 5 LEU HD23 H -6.582 0.292 -3.962 1.00 . A A . 5 LEU HD23 1 1
10 2278 1 1 5 LEU HG H -5.795 -2.083 -2.819 1.00 . A A . 5 LEU HG 1 1
10 2279 1 1 5 LEU N N -3.359 -1.064 -2.006 1.00 . A A . 5 LEU N 1 1
10 2280 1 1 5 LEU O O -3.846 1.669 -0.644 1.00 . A A . 5 LEU O 1 1
10 2281 1 1 6 PRO C C -3.690 4.381 -1.771 1.00 . A A . 6 PRO C 1 1
10 2282 1 1 6 PRO CA C -2.636 3.494 -2.429 1.00 . A A . 6 PRO CA 1 1
10 2283 1 1 6 PRO CB C -2.252 4.072 -3.794 1.00 . A A . 6 PRO CB 1 1
10 2284 1 1 6 PRO CD C -2.993 1.808 -4.150 1.00 . A A . 6 PRO CD 1 1
10 2285 1 1 6 PRO CG C -2.124 2.903 -4.709 1.00 . A A . 6 PRO CG 1 1
10 2286 1 1 6 PRO HA H -1.763 3.446 -1.797 1.00 . A A . 6 PRO HA 1 1
10 2287 1 1 6 PRO HB2 H -3.024 4.747 -4.127 1.00 . A A . 6 PRO HB2 1 1
10 2288 1 1 6 PRO HB3 H -1.317 4.608 -3.704 1.00 . A A . 6 PRO HB3 1 1
10 2289 1 1 6 PRO HD2 H -3.951 1.779 -4.644 1.00 . A A . 6 PRO HD2 1 1
10 2290 1 1 6 PRO HD3 H -2.497 0.857 -4.246 1.00 . A A . 6 PRO HD3 1 1
10 2291 1 1 6 PRO HG2 H -2.462 3.175 -5.699 1.00 . A A . 6 PRO HG2 1 1
10 2292 1 1 6 PRO HG3 H -1.096 2.580 -4.743 1.00 . A A . 6 PRO HG3 1 1
10 2293 1 1 6 PRO N N -3.155 2.159 -2.736 1.00 . A A . 6 PRO N 1 1
10 2294 1 1 6 PRO O O -4.570 4.928 -2.441 1.00 . A A . 6 PRO O 1 1
10 2295 1 1 7 GLY C C -4.321 5.235 1.761 1.00 . A A . 7 GLY C 1 1
10 2296 1 1 7 GLY CA C -4.634 5.197 0.284 1.00 . A A . 7 GLY CA 1 1
10 2297 1 1 7 GLY H H -2.965 3.929 0.027 1.00 . A A . 7 GLY H 1 1
10 2298 1 1 7 GLY HA2 H -4.663 6.207 -0.097 1.00 . A A . 7 GLY HA2 1 1
10 2299 1 1 7 GLY HA3 H -5.603 4.738 0.141 1.00 . A A . 7 GLY HA3 1 1
10 2300 1 1 7 GLY N N -3.644 4.450 -0.455 1.00 . A A . 7 GLY N 1 1
10 2301 1 1 7 GLY O O -4.444 4.224 2.452 1.00 . A A . 7 GLY O 1 1
10 2302 1 1 8 GLY C C -2.049 7.030 3.780 1.00 . A A . 8 GLY C 1 1
10 2303 1 1 8 GLY CA C -3.457 6.504 3.619 1.00 . A A . 8 GLY CA 1 1
10 2304 1 1 8 GLY H H -3.719 7.134 1.615 1.00 . A A . 8 GLY H 1 1
10 2305 1 1 8 GLY HA2 H -4.142 7.182 4.112 1.00 . A A . 8 GLY HA2 1 1
10 2306 1 1 8 GLY HA3 H -3.524 5.537 4.091 1.00 . A A . 8 GLY HA3 1 1
10 2307 1 1 8 GLY N N -3.843 6.377 2.228 1.00 . A A . 8 GLY N 1 1
10 2308 1 1 8 GLY O O -1.576 7.232 4.900 1.00 . A A . 8 GLY O 1 1
10 2309 1 1 9 GLY C C 0.974 6.775 2.176 1.00 . A A . 9 GLY C 1 1
10 2310 1 1 9 GLY CA C -0.025 7.769 2.715 1.00 . A A . 9 GLY CA 1 1
10 2311 1 1 9 GLY H H -1.794 7.068 1.793 1.00 . A A . 9 GLY H 1 1
10 2312 1 1 9 GLY HA2 H 0.029 8.673 2.128 1.00 . A A . 9 GLY HA2 1 1
10 2313 1 1 9 GLY HA3 H 0.228 7.998 3.740 1.00 . A A . 9 GLY HA3 1 1
10 2314 1 1 9 GLY N N -1.374 7.256 2.665 1.00 . A A . 9 GLY N 1 1
10 2315 1 1 9 GLY O O 2.034 6.566 2.767 1.00 . A A . 9 GLY O 1 1
10 2316 1 1 10 GLY C C 0.937 4.543 -0.768 1.00 . A A . 10 GLY C 1 1
10 2317 1 1 10 GLY CA C 1.476 5.097 0.531 1.00 . A A . 10 GLY CA 1 1
10 2318 1 1 10 GLY H H -0.266 6.282 0.683 1.00 . A A . 10 GLY H 1 1
10 2319 1 1 10 GLY HA2 H 2.450 5.526 0.353 1.00 . A A . 10 GLY HA2 1 1
10 2320 1 1 10 GLY HA3 H 1.574 4.289 1.242 1.00 . A A . 10 GLY HA3 1 1
10 2321 1 1 10 GLY N N 0.613 6.108 1.091 1.00 . A A . 10 GLY N 1 1
10 2322 1 1 10 GLY O O -0.225 4.760 -1.109 1.00 . A A . 10 GLY O 1 1
10 2323 1 1 11 VAL C C 1.500 1.695 -2.594 1.00 . A A . 11 VAL C 1 1
10 2324 1 1 11 VAL CA C 1.386 3.208 -2.743 1.00 . A A . 11 VAL CA 1 1
10 2325 1 1 11 VAL CB C 2.263 3.707 -3.921 1.00 . A A . 11 VAL CB 1 1
10 2326 1 1 11 VAL CG1 C 1.616 3.406 -5.262 1.00 . A A . 11 VAL CG1 1 1
10 2327 1 1 11 VAL CG2 C 2.534 5.197 -3.796 1.00 . A A . 11 VAL CG2 1 1
10 2328 1 1 11 VAL H H 2.688 3.675 -1.147 1.00 . A A . 11 VAL H 1 1
10 2329 1 1 11 VAL HA H 0.356 3.466 -2.946 1.00 . A A . 11 VAL HA 1 1
10 2330 1 1 11 VAL HB H 3.210 3.191 -3.881 1.00 . A A . 11 VAL HB 1 1
10 2331 1 1 11 VAL HG11 H 2.077 2.532 -5.698 1.00 . A A . 11 VAL HG11 1 1
10 2332 1 1 11 VAL HG12 H 1.749 4.250 -5.924 1.00 . A A . 11 VAL HG12 1 1
10 2333 1 1 11 VAL HG13 H 0.561 3.223 -5.119 1.00 . A A . 11 VAL HG13 1 1
10 2334 1 1 11 VAL HG21 H 1.800 5.643 -3.141 1.00 . A A . 11 VAL HG21 1 1
10 2335 1 1 11 VAL HG22 H 2.471 5.656 -4.773 1.00 . A A . 11 VAL HG22 1 1
10 2336 1 1 11 VAL HG23 H 3.522 5.351 -3.387 1.00 . A A . 11 VAL HG23 1 1
10 2337 1 1 11 VAL N N 1.779 3.827 -1.488 1.00 . A A . 11 VAL N 1 1
10 2338 1 1 11 VAL O O 1.845 1.207 -1.518 1.00 . A A . 11 VAL O 1 1
10 2339 1 1 12 CYS C C 2.581 -1.039 -3.390 1.00 . A A . 12 CYS C 1 1
10 2340 1 1 12 CYS CA C 1.166 -0.498 -3.582 1.00 . A A . 12 CYS CA 1 1
10 2341 1 1 12 CYS CB C 0.576 -1.066 -4.867 1.00 . A A . 12 CYS CB 1 1
10 2342 1 1 12 CYS H H 0.845 1.397 -4.451 1.00 . A A . 12 CYS H 1 1
10 2343 1 1 12 CYS HA H 0.556 -0.809 -2.748 1.00 . A A . 12 CYS HA 1 1
10 2344 1 1 12 CYS HB2 H -0.398 -0.627 -5.028 1.00 . A A . 12 CYS HB2 1 1
10 2345 1 1 12 CYS HB3 H 1.225 -0.796 -5.686 1.00 . A A . 12 CYS HB3 1 1
10 2346 1 1 12 CYS N N 1.148 0.956 -3.631 1.00 . A A . 12 CYS N 1 1
10 2347 1 1 12 CYS O O 3.394 -1.018 -4.312 1.00 . A A . 12 CYS O 1 1
10 2348 1 1 12 CYS SG S 0.398 -2.858 -4.852 1.00 . A A . 12 CYS SG 1 1
10 2349 1 1 13 ABA C C 5.128 -0.969 -1.396 1.00 . A A . 13 ABA C 1 1
10 2350 1 1 13 ABA CA C 4.187 -2.056 -1.885 1.00 . A A . 13 ABA CA 1 1
10 2351 1 1 13 ABA CB C 4.094 -3.176 -0.839 1.00 . A A . 13 ABA CB 1 1
10 2352 1 1 13 ABA CG C 3.291 -4.345 -1.384 1.00 . A A . 13 ABA CG 1 1
10 2353 1 1 13 ABA H H 2.208 -1.449 -1.468 1.00 . A A . 13 ABA H 1 1
10 2354 1 1 13 ABA HA H 4.588 -2.480 -2.795 1.00 . A A . 13 ABA HA 1 1
10 2355 1 1 13 ABA HB3 H 5.094 -3.522 -0.628 1.00 . A A . 13 ABA HB3 1 1
10 2356 1 1 13 ABA HG1 H 2.858 -4.901 -0.564 1.00 . A A . 13 ABA HG1 1 1
10 2357 1 1 13 ABA HG2 H 3.941 -4.992 -1.954 1.00 . A A . 13 ABA HG2 1 1
10 2358 1 1 13 ABA HG3 H 2.502 -3.973 -2.024 1.00 . A A . 13 ABA HG3 1 1
10 2359 1 1 13 ABA N N 2.877 -1.500 -2.184 1.00 . A A . 13 ABA N 1 1
10 2360 1 1 13 ABA O O 6.317 -1.206 -1.175 1.00 . A A . 13 ABA O 1 1
10 2361 1 1 14 LEU C C 4.857 2.016 0.341 1.00 . A A . 14 LEU C 1 1
10 2362 1 1 14 LEU CA C 5.389 1.398 -0.945 1.00 . A A . 14 LEU CA 1 1
10 2363 1 1 14 LEU CB C 5.359 2.430 -2.081 1.00 . A A . 14 LEU CB 1 1
10 2364 1 1 14 LEU CD1 C 5.608 3.003 -4.513 1.00 . A A . 14 LEU CD1 1 1
10 2365 1 1 14 LEU CD2 C 7.051 1.233 -3.504 1.00 . A A . 14 LEU CD2 1 1
10 2366 1 1 14 LEU CG C 5.677 1.886 -3.482 1.00 . A A . 14 LEU CG 1 1
10 2367 1 1 14 LEU H H 3.654 0.363 -1.540 1.00 . A A . 14 LEU H 1 1
10 2368 1 1 14 LEU HA H 6.408 1.075 -0.788 1.00 . A A . 14 LEU HA 1 1
10 2369 1 1 14 LEU HB2 H 4.375 2.873 -2.106 1.00 . A A . 14 LEU HB2 1 1
10 2370 1 1 14 LEU HB3 H 6.076 3.204 -1.851 1.00 . A A . 14 LEU HB3 1 1
10 2371 1 1 14 LEU HD11 H 5.797 2.597 -5.496 1.00 . A A . 14 LEU HD11 1 1
10 2372 1 1 14 LEU HD12 H 6.352 3.752 -4.285 1.00 . A A . 14 LEU HD12 1 1
10 2373 1 1 14 LEU HD13 H 4.626 3.454 -4.491 1.00 . A A . 14 LEU HD13 1 1
10 2374 1 1 14 LEU HD21 H 7.194 0.728 -4.448 1.00 . A A . 14 LEU HD21 1 1
10 2375 1 1 14 LEU HD22 H 7.120 0.517 -2.698 1.00 . A A . 14 LEU HD22 1 1
10 2376 1 1 14 LEU HD23 H 7.810 1.990 -3.380 1.00 . A A . 14 LEU HD23 1 1
10 2377 1 1 14 LEU HG H 4.940 1.137 -3.751 1.00 . A A . 14 LEU HG 1 1
10 2378 1 1 14 LEU N N 4.600 0.240 -1.310 1.00 . A A . 14 LEU N 1 1
10 2379 1 1 14 LEU O O 3.880 2.769 0.321 1.00 . A A . 14 LEU O 1 1
10 2380 1 1 15 ABA C C 5.328 1.184 3.851 1.00 . A A . 15 ABA C 1 1
10 2381 1 1 15 ABA CA C 5.102 2.220 2.750 1.00 . A A . 15 ABA CA 1 1
10 2382 1 1 15 ABA CB C 5.878 3.518 3.086 1.00 . A A . 15 ABA CB 1 1
10 2383 1 1 15 ABA CG C 5.071 4.713 2.606 1.00 . A A . 15 ABA CG 1 1
10 2384 1 1 15 ABA H H 6.274 1.089 1.398 1.00 . A A . 15 ABA H 1 1
10 2385 1 1 15 ABA HA H 4.046 2.455 2.704 1.00 . A A . 15 ABA HA 1 1
10 2386 1 1 15 ABA HB3 H 5.976 3.585 4.158 1.00 . A A . 15 ABA HB3 1 1
10 2387 1 1 15 ABA HG1 H 4.668 4.503 1.625 1.00 . A A . 15 ABA HG1 1 1
10 2388 1 1 15 ABA HG2 H 5.710 5.579 2.556 1.00 . A A . 15 ABA HG2 1 1
10 2389 1 1 15 ABA HG3 H 4.260 4.904 3.297 1.00 . A A . 15 ABA HG3 1 1
10 2390 1 1 15 ABA N N 5.499 1.692 1.454 1.00 . A A . 15 ABA N 1 1
10 2391 1 1 15 ABA O O 6.007 0.173 3.637 1.00 . A A . 15 ABA O 1 1
10 2392 1 1 16 DHA C C 4.433 -0.713 6.129 1.00 . A A . 16 DHA C 1 1
10 2393 1 1 16 DHA CA C 4.959 0.607 6.099 1.00 . A A . 16 DHA CA 1 1
10 2394 1 1 16 DHA CB C 5.668 1.050 7.148 1.00 . A A . 16 DHA CB 1 1
10 2395 1 1 16 DHA H H 4.254 2.287 5.093 1.00 . A A . 16 DHA H 1 1
10 2396 1 1 16 DHA HB1 H 6.075 2.052 7.145 1.00 . A A . 16 DHA HB1 1 1
10 2397 1 1 16 DHA HB2 H 5.843 0.401 7.992 1.00 . A A . 16 DHA HB2 1 1
10 2398 1 1 16 DHA N N 4.768 1.450 5.028 1.00 . A A . 16 DHA N 1 1
10 2399 1 1 16 DHA O O 4.711 -1.478 7.057 1.00 . A A . 16 DHA O 1 1
10 2400 1 1 17 GLU C C 3.903 -3.353 4.389 1.00 . A A . 17 GLU C 1 1
10 2401 1 1 17 GLU CA C 2.989 -2.360 5.093 1.00 . A A . 17 GLU CA 1 1
10 2402 1 1 17 GLU CB C 1.629 -2.273 4.382 1.00 . A A . 17 GLU CB 1 1
10 2403 1 1 17 GLU CD C 2.145 -0.891 2.295 1.00 . A A . 17 GLU CD 1 1
10 2404 1 1 17 GLU CG C 1.700 -2.229 2.856 1.00 . A A . 17 GLU CG 1 1
10 2405 1 1 17 GLU H H 3.392 -0.396 4.443 1.00 . A A . 17 GLU H 1 1
10 2406 1 1 17 GLU HA H 2.831 -2.691 6.107 1.00 . A A . 17 GLU HA 1 1
10 2407 1 1 17 GLU HB2 H 1.044 -3.131 4.660 1.00 . A A . 17 GLU HB2 1 1
10 2408 1 1 17 GLU HB3 H 1.120 -1.381 4.721 1.00 . A A . 17 GLU HB3 1 1
10 2409 1 1 17 GLU HG2 H 2.400 -2.983 2.526 1.00 . A A . 17 GLU HG2 1 1
10 2410 1 1 17 GLU HG3 H 0.721 -2.459 2.457 1.00 . A A . 17 GLU HG3 1 1
10 2411 1 1 17 GLU N N 3.618 -1.057 5.140 1.00 . A A . 17 GLU N 1 1
10 2412 1 1 17 GLU O O 3.729 -4.567 4.498 1.00 . A A . 17 GLU O 1 1
10 2413 1 1 17 GLU OE1 O 2.463 0.010 3.094 1.00 . A A . 17 GLU OE1 1 1
10 2414 1 1 17 GLU OE2 O 2.222 -0.743 1.057 1.00 . A A . 17 GLU OE2 1 1
10 2415 1 1 18 CYS C C 7.255 -3.373 3.364 1.00 . A A . 18 CYS C 1 1
10 2416 1 1 18 CYS CA C 5.821 -3.646 2.930 1.00 . A A . 18 CYS CA 1 1
10 2417 1 1 18 CYS CB C 5.651 -3.391 1.434 1.00 . A A . 18 CYS CB 1 1
10 2418 1 1 18 CYS H H 4.969 -1.846 3.638 1.00 . A A . 18 CYS H 1 1
10 2419 1 1 18 CYS HA H 5.588 -4.680 3.136 1.00 . A A . 18 CYS HA 1 1
10 2420 1 1 18 CYS HB2 H 5.774 -2.335 1.244 1.00 . A A . 18 CYS HB2 1 1
10 2421 1 1 18 CYS HB3 H 6.408 -3.935 0.890 1.00 . A A . 18 CYS HB3 1 1
10 2422 1 1 18 CYS N N 4.882 -2.824 3.674 1.00 . A A . 18 CYS N 1 1
10 2423 1 1 18 CYS O O 7.907 -4.235 3.955 1.00 . A A . 18 CYS O 1 1
10 2424 1 1 18 CYS SG S 4.038 -3.888 0.809 1.00 . A A . 18 CYS SG 1 1
10 2425 1 1 19 ILE C C 9.070 -0.675 4.514 1.00 . A A . 19 ILE C 1 1
10 2426 1 1 19 ILE CA C 9.093 -1.803 3.486 1.00 . A A . 19 ILE CA 1 1
10 2427 1 1 19 ILE CB C 9.949 -1.373 2.267 1.00 . A A . 19 ILE CB 1 1
10 2428 1 1 19 ILE CD1 C 10.370 -3.777 1.504 1.00 . A A . 19 ILE CD1 1 1
10 2429 1 1 19 ILE CG1 C 9.846 -2.404 1.134 1.00 . A A . 19 ILE CG1 1 1
10 2430 1 1 19 ILE CG2 C 11.403 -1.184 2.683 1.00 . A A . 19 ILE CG2 1 1
10 2431 1 1 19 ILE H H 7.163 -1.495 2.676 1.00 . A A . 19 ILE H 1 1
10 2432 1 1 19 ILE HA H 9.554 -2.673 3.933 1.00 . A A . 19 ILE HA 1 1
10 2433 1 1 19 ILE HB H 9.577 -0.425 1.914 1.00 . A A . 19 ILE HB 1 1
10 2434 1 1 19 ILE HD11 H 10.100 -3.998 2.523 1.00 . A A . 19 ILE HD11 1 1
10 2435 1 1 19 ILE HD12 H 11.445 -3.791 1.402 1.00 . A A . 19 ILE HD12 1 1
10 2436 1 1 19 ILE HD13 H 9.937 -4.517 0.846 1.00 . A A . 19 ILE HD13 1 1
10 2437 1 1 19 ILE HG12 H 8.809 -2.508 0.852 1.00 . A A . 19 ILE HG12 1 1
10 2438 1 1 19 ILE HG13 H 10.409 -2.050 0.282 1.00 . A A . 19 ILE HG13 1 1
10 2439 1 1 19 ILE HG21 H 11.867 -2.148 2.813 1.00 . A A . 19 ILE HG21 1 1
10 2440 1 1 19 ILE HG22 H 11.440 -0.640 3.616 1.00 . A A . 19 ILE HG22 1 1
10 2441 1 1 19 ILE HG23 H 11.928 -0.629 1.920 1.00 . A A . 19 ILE HG23 1 1
10 2442 1 1 19 ILE N N 7.739 -2.166 3.102 1.00 . A A . 19 ILE N 1 1
10 2443 1 1 19 ILE O O 9.079 -0.925 5.722 1.00 . A A . 19 ILE O 1 1
10 2444 1 1 20 TEE CA C 8.997 1.624 4.901 1.00 . A A . 20 TEE CA 1 1
10 2445 1 1 20 TEE CB C 8.125 2.711 4.690 1.00 . A A . 20 TEE CB 1 1
10 2446 1 1 20 TEE HA H 8.689 1.985 5.870 1.00 . A A . 20 TEE HA 1 1
10 2447 1 1 20 TEE HB2 H 7.664 3.208 5.532 1.00 . A A . 20 TEE HB2 1 1
10 2448 1 1 20 TEE HN1 H 8.973 0.659 3.054 1.00 . A A . 20 TEE HN1 1 1
10 2449 1 1 20 TEE N N 9.009 0.563 4.033 1.00 . A A . 20 TEE N 1 1
10 2450 1 1 20 TEE SG S 6.955 4.058 4.435 1.00 . A A . 20 TEE SG 1 1
11 2451 1 1 1 CYS C C -3.256 2.215 1.996 1.00 . A A . 1 CYS C 1 1
11 2452 1 1 1 CYS CA C -2.326 1.566 3.012 1.00 . A A . 1 CYS CA 1 1
11 2453 1 1 1 CYS CB C -2.922 1.645 4.413 1.00 . A A . 1 CYS CB 1 1
11 2454 1 1 1 CYS H1 H -0.321 1.649 2.476 1.00 . A A . 1 CYS H1 1 1
11 2455 1 1 1 CYS H2 H -0.664 2.335 3.989 1.00 . A A . 1 CYS H2 1 1
11 2456 1 1 1 CYS H3 H -1.081 3.165 2.573 1.00 . A A . 1 CYS H3 1 1
11 2457 1 1 1 CYS HA H -2.187 0.528 2.746 1.00 . A A . 1 CYS HA 1 1
11 2458 1 1 1 CYS HB2 H -2.284 1.103 5.097 1.00 . A A . 1 CYS HB2 1 1
11 2459 1 1 1 CYS HB3 H -2.967 2.680 4.718 1.00 . A A . 1 CYS HB3 1 1
11 2460 1 1 1 CYS N N -1.010 2.224 3.011 1.00 . A A . 1 CYS N 1 1
11 2461 1 1 1 CYS O O -3.122 3.405 1.707 1.00 . A A . 1 CYS O 1 1
11 2462 1 1 1 CYS SG S -4.579 0.952 4.513 1.00 . A A . 1 CYS SG 1 1
11 2463 1 1 2 ABA C C -3.127 -0.802 1.126 1.00 . A A . 2 ABA C 1 1
11 2464 1 1 2 ABA CA C -4.310 0.002 1.678 1.00 . A A . 2 ABA CA 1 1
11 2465 1 1 2 ABA CB C -4.484 -0.275 3.192 1.00 . A A . 2 ABA CB 1 1
11 2466 1 1 2 ABA CG C -5.929 -0.057 3.610 1.00 . A A . 2 ABA CG 1 1
11 2467 1 1 2 ABA H H -4.755 1.835 0.727 1.00 . A A . 2 ABA H 1 1
11 2468 1 1 2 ABA HA H -5.209 -0.330 1.176 1.00 . A A . 2 ABA HA 1 1
11 2469 1 1 2 ABA HB3 H -4.233 -1.310 3.376 1.00 . A A . 2 ABA HB3 1 1
11 2470 1 1 2 ABA HG1 H -6.077 -0.436 4.610 1.00 . A A . 2 ABA HG1 1 1
11 2471 1 1 2 ABA HG2 H -6.583 -0.578 2.926 1.00 . A A . 2 ABA HG2 1 1
11 2472 1 1 2 ABA HG3 H -6.155 0.999 3.588 1.00 . A A . 2 ABA HG3 1 1
11 2473 1 1 2 ABA N N -4.159 1.434 1.396 1.00 . A A . 2 ABA N 1 1
11 2474 1 1 2 ABA O O -2.398 -0.323 0.252 1.00 . A A . 2 ABA O 1 1
11 2475 1 1 3 PHE C C -2.213 -3.385 -0.312 1.00 . A A . 3 PHE C 1 1
11 2476 1 1 3 PHE CA C -1.923 -2.926 1.117 1.00 . A A . 3 PHE CA 1 1
11 2477 1 1 3 PHE CB C -1.801 -4.134 2.055 1.00 . A A . 3 PHE CB 1 1
11 2478 1 1 3 PHE CD1 C 0.477 -4.809 1.234 1.00 . A A . 3 PHE CD1 1 1
11 2479 1 1 3 PHE CD2 C -1.169 -6.506 1.548 1.00 . A A . 3 PHE CD2 1 1
11 2480 1 1 3 PHE CE1 C 1.382 -5.765 0.817 1.00 . A A . 3 PHE CE1 1 1
11 2481 1 1 3 PHE CE2 C -0.266 -7.463 1.132 1.00 . A A . 3 PHE CE2 1 1
11 2482 1 1 3 PHE CG C -0.809 -5.170 1.604 1.00 . A A . 3 PHE CG 1 1
11 2483 1 1 3 PHE CZ C 1.011 -7.092 0.767 1.00 . A A . 3 PHE CZ 1 1
11 2484 1 1 3 PHE H H -3.626 -2.379 2.251 1.00 . A A . 3 PHE H 1 1
11 2485 1 1 3 PHE HA H -0.993 -2.379 1.125 1.00 . A A . 3 PHE HA 1 1
11 2486 1 1 3 PHE HB2 H -1.496 -3.790 3.032 1.00 . A A . 3 PHE HB2 1 1
11 2487 1 1 3 PHE HB3 H -2.767 -4.614 2.137 1.00 . A A . 3 PHE HB3 1 1
11 2488 1 1 3 PHE HD1 H 0.768 -3.771 1.275 1.00 . A A . 3 PHE HD1 1 1
11 2489 1 1 3 PHE HD2 H -2.169 -6.797 1.834 1.00 . A A . 3 PHE HD2 1 1
11 2490 1 1 3 PHE HE1 H 2.381 -5.473 0.531 1.00 . A A . 3 PHE HE1 1 1
11 2491 1 1 3 PHE HE2 H -0.560 -8.501 1.094 1.00 . A A . 3 PHE HE2 1 1
11 2492 1 1 3 PHE HZ H 1.719 -7.839 0.440 1.00 . A A . 3 PHE HZ 1 1
11 2493 1 1 3 PHE N N -2.975 -2.033 1.596 1.00 . A A . 3 PHE N 1 1
11 2494 1 1 3 PHE O O -2.921 -4.371 -0.529 1.00 . A A . 3 PHE O 1 1
11 2495 1 1 4 ABA C C -2.893 -1.871 -3.305 1.00 . A A . 4 ABA C 1 1
11 2496 1 1 4 ABA CA C -1.996 -2.930 -2.684 1.00 . A A . 4 ABA CA 1 1
11 2497 1 1 4 ABA CB C -0.691 -3.043 -3.503 1.00 . A A . 4 ABA CB 1 1
11 2498 1 1 4 ABA CG C -0.213 -4.484 -3.563 1.00 . A A . 4 ABA CG 1 1
11 2499 1 1 4 ABA H H -1.249 -1.801 -1.055 1.00 . A A . 4 ABA H 1 1
11 2500 1 1 4 ABA HA H -2.503 -3.883 -2.723 1.00 . A A . 4 ABA HA 1 1
11 2501 1 1 4 ABA HB3 H -0.886 -2.706 -4.512 1.00 . A A . 4 ABA HB3 1 1
11 2502 1 1 4 ABA HG1 H -0.168 -4.891 -2.563 1.00 . A A . 4 ABA HG1 1 1
11 2503 1 1 4 ABA HG2 H 0.769 -4.518 -4.011 1.00 . A A . 4 ABA HG2 1 1
11 2504 1 1 4 ABA HG3 H -0.901 -5.066 -4.158 1.00 . A A . 4 ABA HG3 1 1
11 2505 1 1 4 ABA N N -1.737 -2.622 -1.285 1.00 . A A . 4 ABA N 1 1
11 2506 1 1 4 ABA O O -2.875 -1.657 -4.515 1.00 . A A . 4 ABA O 1 1
11 2507 1 1 5 LEU C C -4.333 1.143 -2.236 1.00 . A A . 5 LEU C 1 1
11 2508 1 1 5 LEU CA C -4.592 -0.180 -2.936 1.00 . A A . 5 LEU CA 1 1
11 2509 1 1 5 LEU CB C -6.035 -0.622 -2.742 1.00 . A A . 5 LEU CB 1 1
11 2510 1 1 5 LEU CD1 C -7.800 -2.325 -3.227 1.00 . A A . 5 LEU CD1 1 1
11 2511 1 1 5 LEU CD2 C -6.496 -1.301 -5.101 1.00 . A A . 5 LEU CD2 1 1
11 2512 1 1 5 LEU CG C -6.454 -1.767 -3.653 1.00 . A A . 5 LEU CG 1 1
11 2513 1 1 5 LEU H H -3.648 -1.418 -1.511 1.00 . A A . 5 LEU H 1 1
11 2514 1 1 5 LEU HA H -4.413 -0.048 -3.994 1.00 . A A . 5 LEU HA 1 1
11 2515 1 1 5 LEU HB2 H -6.163 -0.932 -1.714 1.00 . A A . 5 LEU HB2 1 1
11 2516 1 1 5 LEU HB3 H -6.681 0.221 -2.933 1.00 . A A . 5 LEU HB3 1 1
11 2517 1 1 5 LEU HD11 H -8.468 -2.345 -4.076 1.00 . A A . 5 LEU HD11 1 1
11 2518 1 1 5 LEU HD12 H -8.220 -1.698 -2.452 1.00 . A A . 5 LEU HD12 1 1
11 2519 1 1 5 LEU HD13 H -7.670 -3.327 -2.847 1.00 . A A . 5 LEU HD13 1 1
11 2520 1 1 5 LEU HD21 H -6.550 -2.159 -5.755 1.00 . A A . 5 LEU HD21 1 1
11 2521 1 1 5 LEU HD22 H -5.599 -0.737 -5.321 1.00 . A A . 5 LEU HD22 1 1
11 2522 1 1 5 LEU HD23 H -7.361 -0.675 -5.253 1.00 . A A . 5 LEU HD23 1 1
11 2523 1 1 5 LEU HG H -5.716 -2.552 -3.578 1.00 . A A . 5 LEU HG 1 1
11 2524 1 1 5 LEU N N -3.681 -1.210 -2.468 1.00 . A A . 5 LEU N 1 1
11 2525 1 1 5 LEU O O -4.933 1.451 -1.209 1.00 . A A . 5 LEU O 1 1
11 2526 1 1 6 PRO C C -4.194 4.157 -2.064 1.00 . A A . 6 PRO C 1 1
11 2527 1 1 6 PRO CA C -3.007 3.232 -2.278 1.00 . A A . 6 PRO CA 1 1
11 2528 1 1 6 PRO CB C -2.095 3.779 -3.373 1.00 . A A . 6 PRO CB 1 1
11 2529 1 1 6 PRO CD C -2.648 1.556 -3.995 1.00 . A A . 6 PRO CD 1 1
11 2530 1 1 6 PRO CG C -1.543 2.567 -4.025 1.00 . A A . 6 PRO CG 1 1
11 2531 1 1 6 PRO HA H -2.453 3.145 -1.359 1.00 . A A . 6 PRO HA 1 1
11 2532 1 1 6 PRO HB2 H -2.673 4.373 -4.059 1.00 . A A . 6 PRO HB2 1 1
11 2533 1 1 6 PRO HB3 H -1.313 4.381 -2.932 1.00 . A A . 6 PRO HB3 1 1
11 2534 1 1 6 PRO HD2 H -3.259 1.647 -4.867 1.00 . A A . 6 PRO HD2 1 1
11 2535 1 1 6 PRO HD3 H -2.261 0.548 -3.912 1.00 . A A . 6 PRO HD3 1 1
11 2536 1 1 6 PRO HG2 H -1.261 2.789 -5.043 1.00 . A A . 6 PRO HG2 1 1
11 2537 1 1 6 PRO HG3 H -0.694 2.206 -3.467 1.00 . A A . 6 PRO HG3 1 1
11 2538 1 1 6 PRO N N -3.402 1.920 -2.794 1.00 . A A . 6 PRO N 1 1
11 2539 1 1 6 PRO O O -4.797 4.653 -3.018 1.00 . A A . 6 PRO O 1 1
11 2540 1 1 7 GLY C C -5.752 5.366 1.048 1.00 . A A . 7 GLY C 1 1
11 2541 1 1 7 GLY CA C -5.682 5.148 -0.446 1.00 . A A . 7 GLY CA 1 1
11 2542 1 1 7 GLY H H -4.049 3.857 -0.107 1.00 . A A . 7 GLY H 1 1
11 2543 1 1 7 GLY HA2 H -5.597 6.104 -0.942 1.00 . A A . 7 GLY HA2 1 1
11 2544 1 1 7 GLY HA3 H -6.589 4.661 -0.773 1.00 . A A . 7 GLY HA3 1 1
11 2545 1 1 7 GLY N N -4.550 4.327 -0.807 1.00 . A A . 7 GLY N 1 1
11 2546 1 1 7 GLY O O -6.312 4.549 1.781 1.00 . A A . 7 GLY O 1 1
11 2547 1 1 8 GLY C C -3.665 6.751 3.454 1.00 . A A . 8 GLY C 1 1
11 2548 1 1 8 GLY CA C -5.083 6.720 2.924 1.00 . A A . 8 GLY CA 1 1
11 2549 1 1 8 GLY H H -4.665 7.031 0.874 1.00 . A A . 8 GLY H 1 1
11 2550 1 1 8 GLY HA2 H -5.545 7.679 3.102 1.00 . A A . 8 GLY HA2 1 1
11 2551 1 1 8 GLY HA3 H -5.637 5.957 3.452 1.00 . A A . 8 GLY HA3 1 1
11 2552 1 1 8 GLY N N -5.125 6.434 1.507 1.00 . A A . 8 GLY N 1 1
11 2553 1 1 8 GLY O O -3.438 6.575 4.652 1.00 . A A . 8 GLY O 1 1
11 2554 1 1 9 GLY C C -0.567 5.799 2.711 1.00 . A A . 9 GLY C 1 1
11 2555 1 1 9 GLY CA C -1.323 7.080 2.978 1.00 . A A . 9 GLY CA 1 1
11 2556 1 1 9 GLY H H -2.951 7.152 1.628 1.00 . A A . 9 GLY H 1 1
11 2557 1 1 9 GLY HA2 H -0.846 7.887 2.443 1.00 . A A . 9 GLY HA2 1 1
11 2558 1 1 9 GLY HA3 H -1.286 7.293 4.035 1.00 . A A . 9 GLY HA3 1 1
11 2559 1 1 9 GLY N N -2.711 7.000 2.566 1.00 . A A . 9 GLY N 1 1
11 2560 1 1 9 GLY O O -0.686 4.835 3.464 1.00 . A A . 9 GLY O 1 1
11 2561 1 1 10 GLY C C 0.586 4.144 -0.159 1.00 . A A . 10 GLY C 1 1
11 2562 1 1 10 GLY CA C 0.918 4.586 1.246 1.00 . A A . 10 GLY CA 1 1
11 2563 1 1 10 GLY H H 0.204 6.563 1.026 1.00 . A A . 10 GLY H 1 1
11 2564 1 1 10 GLY HA2 H 1.976 4.795 1.312 1.00 . A A . 10 GLY HA2 1 1
11 2565 1 1 10 GLY HA3 H 0.675 3.789 1.930 1.00 . A A . 10 GLY HA3 1 1
11 2566 1 1 10 GLY N N 0.178 5.771 1.616 1.00 . A A . 10 GLY N 1 1
11 2567 1 1 10 GLY O O -0.533 4.354 -0.630 1.00 . A A . 10 GLY O 1 1
11 2568 1 1 11 VAL C C 1.429 1.549 -2.221 1.00 . A A . 11 VAL C 1 1
11 2569 1 1 11 VAL CA C 1.343 3.073 -2.194 1.00 . A A . 11 VAL CA 1 1
11 2570 1 1 11 VAL CB C 2.374 3.683 -3.172 1.00 . A A . 11 VAL CB 1 1
11 2571 1 1 11 VAL CG1 C 1.807 3.762 -4.582 1.00 . A A . 11 VAL CG1 1 1
11 2572 1 1 11 VAL CG2 C 2.834 5.057 -2.699 1.00 . A A . 11 VAL CG2 1 1
11 2573 1 1 11 VAL H H 2.415 3.378 -0.395 1.00 . A A . 11 VAL H 1 1
11 2574 1 1 11 VAL HA H 0.353 3.378 -2.504 1.00 . A A . 11 VAL HA 1 1
11 2575 1 1 11 VAL HB H 3.233 3.033 -3.201 1.00 . A A . 11 VAL HB 1 1
11 2576 1 1 11 VAL HG11 H 2.121 2.895 -5.142 1.00 . A A . 11 VAL HG11 1 1
11 2577 1 1 11 VAL HG12 H 2.170 4.657 -5.067 1.00 . A A . 11 VAL HG12 1 1
11 2578 1 1 11 VAL HG13 H 0.729 3.788 -4.535 1.00 . A A . 11 VAL HG13 1 1
11 2579 1 1 11 VAL HG21 H 2.748 5.113 -1.623 1.00 . A A . 11 VAL HG21 1 1
11 2580 1 1 11 VAL HG22 H 2.214 5.820 -3.148 1.00 . A A . 11 VAL HG22 1 1
11 2581 1 1 11 VAL HG23 H 3.863 5.213 -2.987 1.00 . A A . 11 VAL HG23 1 1
11 2582 1 1 11 VAL N N 1.548 3.539 -0.832 1.00 . A A . 11 VAL N 1 1
11 2583 1 1 11 VAL O O 1.661 0.928 -1.185 1.00 . A A . 11 VAL O 1 1
11 2584 1 1 12 CYS C C 2.529 -1.114 -3.279 1.00 . A A . 12 CYS C 1 1
11 2585 1 1 12 CYS CA C 1.137 -0.508 -3.472 1.00 . A A . 12 CYS CA 1 1
11 2586 1 1 12 CYS CB C 0.566 -0.946 -4.815 1.00 . A A . 12 CYS CB 1 1
11 2587 1 1 12 CYS H H 0.967 1.479 -4.168 1.00 . A A . 12 CYS H 1 1
11 2588 1 1 12 CYS HA H 0.481 -0.865 -2.692 1.00 . A A . 12 CYS HA 1 1
11 2589 1 1 12 CYS HB2 H -0.395 -0.479 -4.958 1.00 . A A . 12 CYS HB2 1 1
11 2590 1 1 12 CYS HB3 H 1.238 -0.625 -5.595 1.00 . A A . 12 CYS HB3 1 1
11 2591 1 1 12 CYS N N 1.172 0.942 -3.374 1.00 . A A . 12 CYS N 1 1
11 2592 1 1 12 CYS O O 3.309 -1.219 -4.227 1.00 . A A . 12 CYS O 1 1
11 2593 1 1 12 CYS SG S 0.355 -2.731 -4.943 1.00 . A A . 12 CYS SG 1 1
11 2594 1 1 13 ABA C C 5.157 -0.919 -1.408 1.00 . A A . 13 ABA C 1 1
11 2595 1 1 13 ABA CA C 4.161 -2.020 -1.729 1.00 . A A . 13 ABA CA 1 1
11 2596 1 1 13 ABA CB C 4.082 -2.989 -0.546 1.00 . A A . 13 ABA CB 1 1
11 2597 1 1 13 ABA CG C 4.164 -4.427 -1.030 1.00 . A A . 13 ABA CG 1 1
11 2598 1 1 13 ABA H H 2.219 -1.296 -1.317 1.00 . A A . 13 ABA H 1 1
11 2599 1 1 13 ABA HA H 4.512 -2.568 -2.589 1.00 . A A . 13 ABA HA 1 1
11 2600 1 1 13 ABA HB3 H 3.129 -2.850 -0.059 1.00 . A A . 13 ABA HB3 1 1
11 2601 1 1 13 ABA HG1 H 5.037 -4.902 -0.606 1.00 . A A . 13 ABA HG1 1 1
11 2602 1 1 13 ABA HG2 H 4.233 -4.443 -2.108 1.00 . A A . 13 ABA HG2 1 1
11 2603 1 1 13 ABA HG3 H 3.278 -4.963 -0.719 1.00 . A A . 13 ABA HG3 1 1
11 2604 1 1 13 ABA N N 2.857 -1.456 -2.044 1.00 . A A . 13 ABA N 1 1
11 2605 1 1 13 ABA O O 6.367 -1.147 -1.376 1.00 . A A . 13 ABA O 1 1
11 2606 1 1 14 LEU C C 4.991 2.116 0.394 1.00 . A A . 14 LEU C 1 1
11 2607 1 1 14 LEU CA C 5.483 1.425 -0.863 1.00 . A A . 14 LEU CA 1 1
11 2608 1 1 14 LEU CB C 5.483 2.417 -2.032 1.00 . A A . 14 LEU CB 1 1
11 2609 1 1 14 LEU CD1 C 5.654 2.886 -4.488 1.00 . A A . 14 LEU CD1 1 1
11 2610 1 1 14 LEU CD2 C 7.157 1.189 -3.449 1.00 . A A . 14 LEU CD2 1 1
11 2611 1 1 14 LEU CG C 5.772 1.818 -3.414 1.00 . A A . 14 LEU CG 1 1
11 2612 1 1 14 LEU H H 3.663 0.388 -1.158 1.00 . A A . 14 LEU H 1 1
11 2613 1 1 14 LEU HA H 6.489 1.071 -0.698 1.00 . A A . 14 LEU HA 1 1
11 2614 1 1 14 LEU HB2 H 4.519 2.896 -2.062 1.00 . A A . 14 LEU HB2 1 1
11 2615 1 1 14 LEU HB3 H 6.230 3.171 -1.832 1.00 . A A . 14 LEU HB3 1 1
11 2616 1 1 14 LEU HD11 H 4.765 3.474 -4.315 1.00 . A A . 14 LEU HD11 1 1
11 2617 1 1 14 LEU HD12 H 5.592 2.417 -5.459 1.00 . A A . 14 LEU HD12 1 1
11 2618 1 1 14 LEU HD13 H 6.523 3.528 -4.454 1.00 . A A . 14 LEU HD13 1 1
11 2619 1 1 14 LEU HD21 H 7.136 0.306 -4.071 1.00 . A A . 14 LEU HD21 1 1
11 2620 1 1 14 LEU HD22 H 7.455 0.917 -2.448 1.00 . A A . 14 LEU HD22 1 1
11 2621 1 1 14 LEU HD23 H 7.866 1.898 -3.854 1.00 . A A . 14 LEU HD23 1 1
11 2622 1 1 14 LEU HG H 5.042 1.044 -3.629 1.00 . A A . 14 LEU HG 1 1
11 2623 1 1 14 LEU N N 4.642 0.277 -1.162 1.00 . A A . 14 LEU N 1 1
11 2624 1 1 14 LEU O O 4.049 2.910 0.344 1.00 . A A . 14 LEU O 1 1
11 2625 1 1 15 ABA C C 5.421 1.317 3.921 1.00 . A A . 15 ABA C 1 1
11 2626 1 1 15 ABA CA C 5.173 2.321 2.803 1.00 . A A . 15 ABA CA 1 1
11 2627 1 1 15 ABA CB C 5.909 3.647 3.110 1.00 . A A . 15 ABA CB 1 1
11 2628 1 1 15 ABA CG C 5.070 4.822 2.636 1.00 . A A . 15 ABA CG 1 1
11 2629 1 1 15 ABA H H 6.283 1.078 1.506 1.00 . A A . 15 ABA H 1 1
11 2630 1 1 15 ABA HA H 4.113 2.526 2.748 1.00 . A A . 15 ABA HA 1 1
11 2631 1 1 15 ABA HB3 H 6.027 3.730 4.179 1.00 . A A . 15 ABA HB3 1 1
11 2632 1 1 15 ABA HG1 H 5.700 5.691 2.522 1.00 . A A . 15 ABA HG1 1 1
11 2633 1 1 15 ABA HG2 H 4.297 5.029 3.361 1.00 . A A . 15 ABA HG2 1 1
11 2634 1 1 15 ABA HG3 H 4.618 4.578 1.685 1.00 . A A . 15 ABA HG3 1 1
11 2635 1 1 15 ABA N N 5.581 1.765 1.524 1.00 . A A . 15 ABA N 1 1
11 2636 1 1 15 ABA O O 6.109 0.310 3.719 1.00 . A A . 15 ABA O 1 1
11 2637 1 1 16 DHA C C 4.299 -0.548 6.172 1.00 . A A . 16 DHA C 1 1
11 2638 1 1 16 DHA CA C 4.971 0.699 6.128 1.00 . A A . 16 DHA CA 1 1
11 2639 1 1 16 DHA CB C 5.786 1.040 7.135 1.00 . A A . 16 DHA CB 1 1
11 2640 1 1 16 DHA H H 4.245 2.361 5.110 1.00 . A A . 16 DHA H 1 1
11 2641 1 1 16 DHA HB1 H 6.305 1.987 7.114 1.00 . A A . 16 DHA HB1 1 1
11 2642 1 1 16 DHA HB2 H 5.925 0.368 7.969 1.00 . A A . 16 DHA HB2 1 1
11 2643 1 1 16 DHA N N 4.811 1.560 5.074 1.00 . A A . 16 DHA N 1 1
11 2644 1 1 16 DHA O O 4.388 -1.276 7.162 1.00 . A A . 16 DHA O 1 1
11 2645 1 1 17 GLU C C 3.956 -3.247 4.506 1.00 . A A . 17 GLU C 1 1
11 2646 1 1 17 GLU CA C 2.971 -2.199 4.994 1.00 . A A . 17 GLU CA 1 1
11 2647 1 1 17 GLU CB C 1.791 -2.157 4.012 1.00 . A A . 17 GLU CB 1 1
11 2648 1 1 17 GLU CD C 1.412 0.159 3.068 1.00 . A A . 17 GLU CD 1 1
11 2649 1 1 17 GLU CG C 0.956 -0.887 4.065 1.00 . A A . 17 GLU CG 1 1
11 2650 1 1 17 GLU H H 3.618 -0.301 4.306 1.00 . A A . 17 GLU H 1 1
11 2651 1 1 17 GLU HA H 2.616 -2.466 5.977 1.00 . A A . 17 GLU HA 1 1
11 2652 1 1 17 GLU HB2 H 2.175 -2.262 3.008 1.00 . A A . 17 GLU HB2 1 1
11 2653 1 1 17 GLU HB3 H 1.141 -2.994 4.221 1.00 . A A . 17 GLU HB3 1 1
11 2654 1 1 17 GLU HG2 H -0.071 -1.138 3.849 1.00 . A A . 17 GLU HG2 1 1
11 2655 1 1 17 GLU HG3 H 1.024 -0.469 5.058 1.00 . A A . 17 GLU HG3 1 1
11 2656 1 1 17 GLU N N 3.645 -0.912 5.079 1.00 . A A . 17 GLU N 1 1
11 2657 1 1 17 GLU O O 3.748 -4.450 4.671 1.00 . A A . 17 GLU O 1 1
11 2658 1 1 17 GLU OE1 O 2.527 0.692 3.223 1.00 . A A . 17 GLU OE1 1 1
11 2659 1 1 17 GLU OE2 O 0.643 0.462 2.133 1.00 . A A . 17 GLU OE2 1 1
11 2660 1 1 18 CYS C C 7.335 -3.388 3.603 1.00 . A A . 18 CYS C 1 1
11 2661 1 1 18 CYS CA C 5.907 -3.651 3.130 1.00 . A A . 18 CYS CA 1 1
11 2662 1 1 18 CYS CB C 5.754 -3.447 1.625 1.00 . A A . 18 CYS CB 1 1
11 2663 1 1 18 CYS H H 5.023 -1.809 3.640 1.00 . A A . 18 CYS H 1 1
11 2664 1 1 18 CYS HA H 5.641 -4.668 3.373 1.00 . A A . 18 CYS HA 1 1
11 2665 1 1 18 CYS HB2 H 6.004 -2.423 1.379 1.00 . A A . 18 CYS HB2 1 1
11 2666 1 1 18 CYS HB3 H 6.422 -4.110 1.096 1.00 . A A . 18 CYS HB3 1 1
11 2667 1 1 18 CYS N N 4.967 -2.775 3.798 1.00 . A A . 18 CYS N 1 1
11 2668 1 1 18 CYS O O 7.868 -4.143 4.419 1.00 . A A . 18 CYS O 1 1
11 2669 1 1 18 CYS SG S 4.073 -3.775 1.067 1.00 . A A . 18 CYS SG 1 1
11 2670 1 1 19 ILE C C 9.278 -0.661 4.387 1.00 . A A . 19 ILE C 1 1
11 2671 1 1 19 ILE CA C 9.282 -1.947 3.562 1.00 . A A . 19 ILE CA 1 1
11 2672 1 1 19 ILE CB C 10.228 -1.783 2.349 1.00 . A A . 19 ILE CB 1 1
11 2673 1 1 19 ILE CD1 C 11.087 -2.976 0.260 1.00 . A A . 19 ILE CD1 1 1
11 2674 1 1 19 ILE CG1 C 10.240 -3.068 1.512 1.00 . A A . 19 ILE CG1 1 1
11 2675 1 1 19 ILE CG2 C 11.639 -1.439 2.813 1.00 . A A . 19 ILE CG2 1 1
11 2676 1 1 19 ILE H H 7.446 -1.698 2.534 1.00 . A A . 19 ILE H 1 1
11 2677 1 1 19 ILE HA H 9.658 -2.750 4.177 1.00 . A A . 19 ILE HA 1 1
11 2678 1 1 19 ILE HB H 9.865 -0.969 1.742 1.00 . A A . 19 ILE HB 1 1
11 2679 1 1 19 ILE HD11 H 10.785 -2.115 -0.317 1.00 . A A . 19 ILE HD11 1 1
11 2680 1 1 19 ILE HD12 H 10.953 -3.870 -0.332 1.00 . A A . 19 ILE HD12 1 1
11 2681 1 1 19 ILE HD13 H 12.127 -2.879 0.535 1.00 . A A . 19 ILE HD13 1 1
11 2682 1 1 19 ILE HG12 H 10.627 -3.877 2.114 1.00 . A A . 19 ILE HG12 1 1
11 2683 1 1 19 ILE HG13 H 9.228 -3.301 1.213 1.00 . A A . 19 ILE HG13 1 1
11 2684 1 1 19 ILE HG21 H 11.605 -0.567 3.449 1.00 . A A . 19 ILE HG21 1 1
11 2685 1 1 19 ILE HG22 H 12.261 -1.235 1.954 1.00 . A A . 19 ILE HG22 1 1
11 2686 1 1 19 ILE HG23 H 12.049 -2.271 3.365 1.00 . A A . 19 ILE HG23 1 1
11 2687 1 1 19 ILE N N 7.932 -2.297 3.146 1.00 . A A . 19 ILE N 1 1
11 2688 1 1 19 ILE O O 9.404 -0.699 5.613 1.00 . A A . 19 ILE O 1 1
11 2689 1 1 20 TEE CA C 9.103 1.660 4.394 1.00 . A A . 20 TEE CA 1 1
11 2690 1 1 20 TEE CB C 8.556 2.807 3.795 1.00 . A A . 20 TEE CB 1 1
11 2691 1 1 20 TEE HA H 8.493 1.158 5.131 1.00 . A A . 20 TEE HA 1 1
11 2692 1 1 20 TEE HB2 H 7.896 2.709 2.946 1.00 . A A . 20 TEE HB2 1 1
11 2693 1 1 20 TEE HN1 H 8.989 0.399 2.744 1.00 . A A . 20 TEE HN1 1 1
11 2694 1 1 20 TEE N N 9.113 0.472 3.715 1.00 . A A . 20 TEE N 1 1
11 2695 1 1 20 TEE SG S 7.651 4.002 2.800 1.00 . A A . 20 TEE SG 1 1
12 2696 1 1 1 CYS C C -3.003 2.095 2.260 1.00 . A A . 1 CYS C 1 1
12 2697 1 1 1 CYS CA C -1.944 1.397 3.105 1.00 . A A . 1 CYS CA 1 1
12 2698 1 1 1 CYS CB C -2.291 1.516 4.590 1.00 . A A . 1 CYS CB 1 1
12 2699 1 1 1 CYS H1 H -0.196 1.549 1.988 1.00 . A A . 1 CYS H1 1 1
12 2700 1 1 1 CYS H2 H 0.030 1.750 3.658 1.00 . A A . 1 CYS H2 1 1
12 2701 1 1 1 CYS H3 H -0.664 2.998 2.745 1.00 . A A . 1 CYS H3 1 1
12 2702 1 1 1 CYS HA H -1.921 0.352 2.834 1.00 . A A . 1 CYS HA 1 1
12 2703 1 1 1 CYS HB2 H -1.612 0.901 5.159 1.00 . A A . 1 CYS HB2 1 1
12 2704 1 1 1 CYS HB3 H -2.179 2.546 4.896 1.00 . A A . 1 CYS HB3 1 1
12 2705 1 1 1 CYS N N -0.603 1.962 2.858 1.00 . A A . 1 CYS N 1 1
12 2706 1 1 1 CYS O O -2.874 3.281 1.958 1.00 . A A . 1 CYS O 1 1
12 2707 1 1 1 CYS SG S -3.975 0.997 4.960 1.00 . A A . 1 CYS SG 1 1
12 2708 1 1 2 ABA C C -3.108 -0.896 1.514 1.00 . A A . 2 ABA C 1 1
12 2709 1 1 2 ABA CA C -4.199 -0.058 2.180 1.00 . A A . 2 ABA CA 1 1
12 2710 1 1 2 ABA CB C -4.188 -0.293 3.713 1.00 . A A . 2 ABA CB 1 1
12 2711 1 1 2 ABA CG C -5.601 -0.226 4.273 1.00 . A A . 2 ABA CG 1 1
12 2712 1 1 2 ABA H H -4.724 1.788 1.289 1.00 . A A . 2 ABA H 1 1
12 2713 1 1 2 ABA HA H -5.156 -0.383 1.801 1.00 . A A . 2 ABA HA 1 1
12 2714 1 1 2 ABA HB3 H -3.796 -1.281 3.903 1.00 . A A . 2 ABA HB3 1 1
12 2715 1 1 2 ABA HG1 H -5.560 -0.203 5.353 1.00 . A A . 2 ABA HG1 1 1
12 2716 1 1 2 ABA HG2 H -6.157 -1.095 3.952 1.00 . A A . 2 ABA HG2 1 1
12 2717 1 1 2 ABA HG3 H -6.089 0.668 3.912 1.00 . A A . 2 ABA HG3 1 1
12 2718 1 1 2 ABA N N -4.043 1.362 1.852 1.00 . A A . 2 ABA N 1 1
12 2719 1 1 2 ABA O O -2.507 -0.467 0.530 1.00 . A A . 2 ABA O 1 1
12 2720 1 1 3 PHE C C -2.188 -3.406 0.098 1.00 . A A . 3 PHE C 1 1
12 2721 1 1 3 PHE CA C -1.844 -2.978 1.519 1.00 . A A . 3 PHE CA 1 1
12 2722 1 1 3 PHE CB C -1.698 -4.213 2.413 1.00 . A A . 3 PHE CB 1 1
12 2723 1 1 3 PHE CD1 C 0.574 -4.847 1.558 1.00 . A A . 3 PHE CD1 1 1
12 2724 1 1 3 PHE CD2 C -1.093 -6.542 1.711 1.00 . A A . 3 PHE CD2 1 1
12 2725 1 1 3 PHE CE1 C 1.472 -5.771 1.065 1.00 . A A . 3 PHE CE1 1 1
12 2726 1 1 3 PHE CE2 C -0.198 -7.470 1.220 1.00 . A A . 3 PHE CE2 1 1
12 2727 1 1 3 PHE CG C -0.718 -5.222 1.889 1.00 . A A . 3 PHE CG 1 1
12 2728 1 1 3 PHE CZ C 1.087 -7.083 0.896 1.00 . A A . 3 PHE CZ 1 1
12 2729 1 1 3 PHE H H -3.408 -2.380 2.810 1.00 . A A . 3 PHE H 1 1
12 2730 1 1 3 PHE HA H -0.905 -2.445 1.505 1.00 . A A . 3 PHE HA 1 1
12 2731 1 1 3 PHE HB2 H -1.364 -3.904 3.393 1.00 . A A . 3 PHE HB2 1 1
12 2732 1 1 3 PHE HB3 H -2.660 -4.698 2.504 1.00 . A A . 3 PHE HB3 1 1
12 2733 1 1 3 PHE HD1 H 0.878 -3.819 1.694 1.00 . A A . 3 PHE HD1 1 1
12 2734 1 1 3 PHE HD2 H -2.100 -6.846 1.960 1.00 . A A . 3 PHE HD2 1 1
12 2735 1 1 3 PHE HE1 H 2.477 -5.466 0.810 1.00 . A A . 3 PHE HE1 1 1
12 2736 1 1 3 PHE HE2 H -0.502 -8.497 1.088 1.00 . A A . 3 PHE HE2 1 1
12 2737 1 1 3 PHE HZ H 1.788 -7.810 0.511 1.00 . A A . 3 PHE HZ 1 1
12 2738 1 1 3 PHE N N -2.862 -2.081 2.052 1.00 . A A . 3 PHE N 1 1
12 2739 1 1 3 PHE O O -3.053 -4.257 -0.113 1.00 . A A . 3 PHE O 1 1
12 2740 1 1 4 ABA C C -2.728 -2.121 -2.908 1.00 . A A . 4 ABA C 1 1
12 2741 1 1 4 ABA CA C -1.773 -3.120 -2.270 1.00 . A A . 4 ABA CA 1 1
12 2742 1 1 4 ABA CB C -0.465 -3.151 -3.084 1.00 . A A . 4 ABA CB 1 1
12 2743 1 1 4 ABA CG C 0.039 -4.581 -3.206 1.00 . A A . 4 ABA CG 1 1
12 2744 1 1 4 ABA H H -0.856 -2.110 -0.639 1.00 . A A . 4 ABA H 1 1
12 2745 1 1 4 ABA HA H -2.218 -4.102 -2.309 1.00 . A A . 4 ABA HA 1 1
12 2746 1 1 4 ABA HB3 H -0.676 -2.784 -4.079 1.00 . A A . 4 ABA HB3 1 1
12 2747 1 1 4 ABA HG1 H -0.651 -5.155 -3.804 1.00 . A A . 4 ABA HG1 1 1
12 2748 1 1 4 ABA HG2 H 0.116 -5.022 -2.222 1.00 . A A . 4 ABA HG2 1 1
12 2749 1 1 4 ABA HG3 H 1.012 -4.581 -3.677 1.00 . A A . 4 ABA HG3 1 1
12 2750 1 1 4 ABA N N -1.530 -2.795 -0.872 1.00 . A A . 4 ABA N 1 1
12 2751 1 1 4 ABA O O -2.808 -2.015 -4.132 1.00 . A A . 4 ABA O 1 1
12 2752 1 1 5 LEU C C -4.006 0.996 -2.053 1.00 . A A . 5 LEU C 1 1
12 2753 1 1 5 LEU CA C -4.378 -0.380 -2.563 1.00 . A A . 5 LEU CA 1 1
12 2754 1 1 5 LEU CB C -5.808 -0.736 -2.166 1.00 . A A . 5 LEU CB 1 1
12 2755 1 1 5 LEU CD1 C -7.815 -2.198 -2.487 1.00 . A A . 5 LEU CD1 1 1
12 2756 1 1 5 LEU CD2 C -6.421 -1.525 -4.452 1.00 . A A . 5 LEU CD2 1 1
12 2757 1 1 5 LEU CG C -6.412 -1.879 -2.974 1.00 . A A . 5 LEU CG 1 1
12 2758 1 1 5 LEU H H -3.307 -1.480 -1.108 1.00 . A A . 5 LEU H 1 1
12 2759 1 1 5 LEU HA H -4.311 -0.372 -3.640 1.00 . A A . 5 LEU HA 1 1
12 2760 1 1 5 LEU HB2 H -5.814 -1.011 -1.121 1.00 . A A . 5 LEU HB2 1 1
12 2761 1 1 5 LEU HB3 H -6.427 0.140 -2.297 1.00 . A A . 5 LEU HB3 1 1
12 2762 1 1 5 LEU HD11 H -8.305 -2.851 -3.196 1.00 . A A . 5 LEU HD11 1 1
12 2763 1 1 5 LEU HD12 H -8.378 -1.283 -2.393 1.00 . A A . 5 LEU HD12 1 1
12 2764 1 1 5 LEU HD13 H -7.759 -2.687 -1.525 1.00 . A A . 5 LEU HD13 1 1
12 2765 1 1 5 LEU HD21 H -6.503 -2.428 -5.039 1.00 . A A . 5 LEU HD21 1 1
12 2766 1 1 5 LEU HD22 H -5.497 -1.013 -4.704 1.00 . A A . 5 LEU HD22 1 1
12 2767 1 1 5 LEU HD23 H -7.260 -0.878 -4.663 1.00 . A A . 5 LEU HD23 1 1
12 2768 1 1 5 LEU HG H -5.799 -2.758 -2.848 1.00 . A A . 5 LEU HG 1 1
12 2769 1 1 5 LEU N N -3.442 -1.381 -2.076 1.00 . A A . 5 LEU N 1 1
12 2770 1 1 5 LEU O O -4.397 1.394 -0.959 1.00 . A A . 5 LEU O 1 1
12 2771 1 1 6 PRO C C -3.780 4.002 -2.118 1.00 . A A . 6 PRO C 1 1
12 2772 1 1 6 PRO CA C -2.672 3.024 -2.479 1.00 . A A . 6 PRO CA 1 1
12 2773 1 1 6 PRO CB C -1.943 3.494 -3.748 1.00 . A A . 6 PRO CB 1 1
12 2774 1 1 6 PRO CD C -2.630 1.228 -4.094 1.00 . A A . 6 PRO CD 1 1
12 2775 1 1 6 PRO CG C -2.253 2.489 -4.803 1.00 . A A . 6 PRO CG 1 1
12 2776 1 1 6 PRO HA H -1.970 2.971 -1.661 1.00 . A A . 6 PRO HA 1 1
12 2777 1 1 6 PRO HB2 H -2.300 4.474 -4.026 1.00 . A A . 6 PRO HB2 1 1
12 2778 1 1 6 PRO HB3 H -0.880 3.540 -3.553 1.00 . A A . 6 PRO HB3 1 1
12 2779 1 1 6 PRO HD2 H -3.374 0.685 -4.654 1.00 . A A . 6 PRO HD2 1 1
12 2780 1 1 6 PRO HD3 H -1.765 0.613 -3.923 1.00 . A A . 6 PRO HD3 1 1
12 2781 1 1 6 PRO HG2 H -3.074 2.833 -5.409 1.00 . A A . 6 PRO HG2 1 1
12 2782 1 1 6 PRO HG3 H -1.379 2.324 -5.417 1.00 . A A . 6 PRO HG3 1 1
12 2783 1 1 6 PRO N N -3.181 1.702 -2.830 1.00 . A A . 6 PRO N 1 1
12 2784 1 1 6 PRO O O -4.702 4.242 -2.903 1.00 . A A . 6 PRO O 1 1
12 2785 1 1 7 GLY C C -3.958 6.918 -0.305 1.00 . A A . 7 GLY C 1 1
12 2786 1 1 7 GLY CA C -4.618 5.572 -0.501 1.00 . A A . 7 GLY CA 1 1
12 2787 1 1 7 GLY H H -2.890 4.364 -0.377 1.00 . A A . 7 GLY H 1 1
12 2788 1 1 7 GLY HA2 H -5.397 5.665 -1.245 1.00 . A A . 7 GLY HA2 1 1
12 2789 1 1 7 GLY HA3 H -5.054 5.254 0.434 1.00 . A A . 7 GLY HA3 1 1
12 2790 1 1 7 GLY N N -3.663 4.581 -0.939 1.00 . A A . 7 GLY N 1 1
12 2791 1 1 7 GLY O O -2.881 7.160 -0.849 1.00 . A A . 7 GLY O 1 1
12 2792 1 1 8 GLY C C -2.785 9.112 1.500 1.00 . A A . 8 GLY C 1 1
12 2793 1 1 8 GLY CA C -4.065 9.123 0.685 1.00 . A A . 8 GLY CA 1 1
12 2794 1 1 8 GLY H H -5.467 7.551 0.835 1.00 . A A . 8 GLY H 1 1
12 2795 1 1 8 GLY HA2 H -3.864 9.587 -0.267 1.00 . A A . 8 GLY HA2 1 1
12 2796 1 1 8 GLY HA3 H -4.806 9.709 1.209 1.00 . A A . 8 GLY HA3 1 1
12 2797 1 1 8 GLY N N -4.601 7.795 0.452 1.00 . A A . 8 GLY N 1 1
12 2798 1 1 8 GLY O O -2.813 9.291 2.719 1.00 . A A . 8 GLY O 1 1
12 2799 1 1 9 GLY C C 0.321 7.614 1.498 1.00 . A A . 9 GLY C 1 1
12 2800 1 1 9 GLY CA C -0.380 8.957 1.499 1.00 . A A . 9 GLY CA 1 1
12 2801 1 1 9 GLY H H -1.709 8.794 -0.146 1.00 . A A . 9 GLY H 1 1
12 2802 1 1 9 GLY HA2 H 0.253 9.677 1.004 1.00 . A A . 9 GLY HA2 1 1
12 2803 1 1 9 GLY HA3 H -0.530 9.270 2.521 1.00 . A A . 9 GLY HA3 1 1
12 2804 1 1 9 GLY N N -1.664 8.928 0.826 1.00 . A A . 9 GLY N 1 1
12 2805 1 1 9 GLY O O 1.217 7.374 2.311 1.00 . A A . 9 GLY O 1 1
12 2806 1 1 10 GLY C C 0.433 4.849 -0.919 1.00 . A A . 10 GLY C 1 1
12 2807 1 1 10 GLY CA C 0.617 5.469 0.448 1.00 . A A . 10 GLY CA 1 1
12 2808 1 1 10 GLY H H -0.712 7.021 -0.108 1.00 . A A . 10 GLY H 1 1
12 2809 1 1 10 GLY HA2 H 1.673 5.588 0.640 1.00 . A A . 10 GLY HA2 1 1
12 2810 1 1 10 GLY HA3 H 0.196 4.808 1.191 1.00 . A A . 10 GLY HA3 1 1
12 2811 1 1 10 GLY N N -0.027 6.762 0.548 1.00 . A A . 10 GLY N 1 1
12 2812 1 1 10 GLY O O -0.560 5.118 -1.591 1.00 . A A . 10 GLY O 1 1
12 2813 1 1 11 VAL C C 1.576 1.895 -2.483 1.00 . A A . 11 VAL C 1 1
12 2814 1 1 11 VAL CA C 1.353 3.395 -2.647 1.00 . A A . 11 VAL CA 1 1
12 2815 1 1 11 VAL CB C 2.415 3.976 -3.611 1.00 . A A . 11 VAL CB 1 1
12 2816 1 1 11 VAL CG1 C 2.184 3.498 -5.035 1.00 . A A . 11 VAL CG1 1 1
12 2817 1 1 11 VAL CG2 C 2.434 5.497 -3.560 1.00 . A A . 11 VAL CG2 1 1
12 2818 1 1 11 VAL H H 2.171 3.878 -0.757 1.00 . A A . 11 VAL H 1 1
12 2819 1 1 11 VAL HA H 0.373 3.559 -3.072 1.00 . A A . 11 VAL HA 1 1
12 2820 1 1 11 VAL HB H 3.382 3.619 -3.295 1.00 . A A . 11 VAL HB 1 1
12 2821 1 1 11 VAL HG11 H 3.075 3.676 -5.619 1.00 . A A . 11 VAL HG11 1 1
12 2822 1 1 11 VAL HG12 H 1.356 4.039 -5.469 1.00 . A A . 11 VAL HG12 1 1
12 2823 1 1 11 VAL HG13 H 1.963 2.442 -5.028 1.00 . A A . 11 VAL HG13 1 1
12 2824 1 1 11 VAL HG21 H 1.952 5.891 -4.442 1.00 . A A . 11 VAL HG21 1 1
12 2825 1 1 11 VAL HG22 H 3.457 5.843 -3.525 1.00 . A A . 11 VAL HG22 1 1
12 2826 1 1 11 VAL HG23 H 1.908 5.837 -2.679 1.00 . A A . 11 VAL HG23 1 1
12 2827 1 1 11 VAL N N 1.402 4.049 -1.344 1.00 . A A . 11 VAL N 1 1
12 2828 1 1 11 VAL O O 2.186 1.465 -1.506 1.00 . A A . 11 VAL O 1 1
12 2829 1 1 12 CYS C C 2.588 -0.821 -3.270 1.00 . A A . 12 CYS C 1 1
12 2830 1 1 12 CYS CA C 1.140 -0.351 -3.347 1.00 . A A . 12 CYS CA 1 1
12 2831 1 1 12 CYS CB C 0.490 -0.986 -4.570 1.00 . A A . 12 CYS CB 1 1
12 2832 1 1 12 CYS H H 0.555 1.515 -4.160 1.00 . A A . 12 CYS H 1 1
12 2833 1 1 12 CYS HA H 0.613 -0.674 -2.463 1.00 . A A . 12 CYS HA 1 1
12 2834 1 1 12 CYS HB2 H -0.541 -0.670 -4.626 1.00 . A A . 12 CYS HB2 1 1
12 2835 1 1 12 CYS HB3 H 1.017 -0.643 -5.451 1.00 . A A . 12 CYS HB3 1 1
12 2836 1 1 12 CYS N N 1.045 1.106 -3.415 1.00 . A A . 12 CYS N 1 1
12 2837 1 1 12 CYS O O 3.357 -0.653 -4.217 1.00 . A A . 12 CYS O 1 1
12 2838 1 1 12 CYS SG S 0.531 -2.794 -4.548 1.00 . A A . 12 CYS SG 1 1
12 2839 1 1 13 ABA C C 5.235 -0.922 -1.419 1.00 . A A . 13 ABA C 1 1
12 2840 1 1 13 ABA CA C 4.293 -1.972 -1.993 1.00 . A A . 13 ABA CA 1 1
12 2841 1 1 13 ABA CB C 4.275 -3.215 -1.102 1.00 . A A . 13 ABA CB 1 1
12 2842 1 1 13 ABA CG C 3.411 -4.303 -1.718 1.00 . A A . 13 ABA CG 1 1
12 2843 1 1 13 ABA H H 2.293 -1.548 -1.431 1.00 . A A . 13 ABA H 1 1
12 2844 1 1 13 ABA HA H 4.661 -2.269 -2.961 1.00 . A A . 13 ABA HA 1 1
12 2845 1 1 13 ABA HB3 H 3.849 -2.943 -0.147 1.00 . A A . 13 ABA HB3 1 1
12 2846 1 1 13 ABA HG1 H 2.560 -3.852 -2.204 1.00 . A A . 13 ABA HG1 1 1
12 2847 1 1 13 ABA HG2 H 3.072 -4.975 -0.945 1.00 . A A . 13 ABA HG2 1 1
12 2848 1 1 13 ABA HG3 H 3.992 -4.852 -2.444 1.00 . A A . 13 ABA HG3 1 1
12 2849 1 1 13 ABA N N 2.952 -1.431 -2.155 1.00 . A A . 13 ABA N 1 1
12 2850 1 1 13 ABA O O 6.412 -1.189 -1.171 1.00 . A A . 13 ABA O 1 1
12 2851 1 1 14 LEU C C 5.074 2.109 0.239 1.00 . A A . 14 LEU C 1 1
12 2852 1 1 14 LEU CA C 5.578 1.454 -1.041 1.00 . A A . 14 LEU CA 1 1
12 2853 1 1 14 LEU CB C 5.550 2.470 -2.189 1.00 . A A . 14 LEU CB 1 1
12 2854 1 1 14 LEU CD1 C 5.732 2.985 -4.638 1.00 . A A . 14 LEU CD1 1 1
12 2855 1 1 14 LEU CD2 C 7.082 1.129 -3.666 1.00 . A A . 14 LEU CD2 1 1
12 2856 1 1 14 LEU CG C 5.763 1.883 -3.592 1.00 . A A . 14 LEU CG 1 1
12 2857 1 1 14 LEU H H 3.834 0.470 -1.698 1.00 . A A . 14 LEU H 1 1
12 2858 1 1 14 LEU HA H 6.590 1.109 -0.891 1.00 . A A . 14 LEU HA 1 1
12 2859 1 1 14 LEU HB2 H 4.591 2.966 -2.172 1.00 . A A . 14 LEU HB2 1 1
12 2860 1 1 14 LEU HB3 H 6.316 3.207 -2.011 1.00 . A A . 14 LEU HB3 1 1
12 2861 1 1 14 LEU HD11 H 6.466 3.738 -4.390 1.00 . A A . 14 LEU HD11 1 1
12 2862 1 1 14 LEU HD12 H 4.749 3.434 -4.660 1.00 . A A . 14 LEU HD12 1 1
12 2863 1 1 14 LEU HD13 H 5.958 2.566 -5.608 1.00 . A A . 14 LEU HD13 1 1
12 2864 1 1 14 LEU HD21 H 7.180 0.493 -2.799 1.00 . A A . 14 LEU HD21 1 1
12 2865 1 1 14 LEU HD22 H 7.900 1.835 -3.690 1.00 . A A . 14 LEU HD22 1 1
12 2866 1 1 14 LEU HD23 H 7.100 0.525 -4.560 1.00 . A A . 14 LEU HD23 1 1
12 2867 1 1 14 LEU HG H 4.959 1.184 -3.816 1.00 . A A . 14 LEU HG 1 1
12 2868 1 1 14 LEU N N 4.753 0.312 -1.385 1.00 . A A . 14 LEU N 1 1
12 2869 1 1 14 LEU O O 4.091 2.849 0.216 1.00 . A A . 14 LEU O 1 1
12 2870 1 1 15 ABA C C 5.364 1.308 3.716 1.00 . A A . 15 ABA C 1 1
12 2871 1 1 15 ABA CA C 5.332 2.381 2.635 1.00 . A A . 15 ABA CA 1 1
12 2872 1 1 15 ABA CB C 6.237 3.569 3.038 1.00 . A A . 15 ABA CB 1 1
12 2873 1 1 15 ABA CG C 5.664 4.858 2.466 1.00 . A A . 15 ABA CG 1 1
12 2874 1 1 15 ABA H H 6.507 1.215 1.317 1.00 . A A . 15 ABA H 1 1
12 2875 1 1 15 ABA HA H 4.320 2.747 2.536 1.00 . A A . 15 ABA HA 1 1
12 2876 1 1 15 ABA HB3 H 6.235 3.647 4.117 1.00 . A A . 15 ABA HB3 1 1
12 2877 1 1 15 ABA HG1 H 4.739 5.095 2.970 1.00 . A A . 15 ABA HG1 1 1
12 2878 1 1 15 ABA HG2 H 5.478 4.733 1.409 1.00 . A A . 15 ABA HG2 1 1
12 2879 1 1 15 ABA HG3 H 6.370 5.662 2.614 1.00 . A A . 15 ABA HG3 1 1
12 2880 1 1 15 ABA N N 5.729 1.822 1.354 1.00 . A A . 15 ABA N 1 1
12 2881 1 1 15 ABA O O 5.944 0.236 3.513 1.00 . A A . 15 ABA O 1 1
12 2882 1 1 16 DHA C C 3.853 -0.552 5.716 1.00 . A A . 16 DHA C 1 1
12 2883 1 1 16 DHA CA C 4.634 0.623 5.833 1.00 . A A . 16 DHA CA 1 1
12 2884 1 1 16 DHA CB C 5.361 0.820 6.940 1.00 . A A . 16 DHA CB 1 1
12 2885 1 1 16 DHA H H 4.173 2.406 4.854 1.00 . A A . 16 DHA H 1 1
12 2886 1 1 16 DHA HB1 H 5.967 1.710 7.039 1.00 . A A . 16 DHA HB1 1 1
12 2887 1 1 16 DHA HB2 H 5.337 0.094 7.740 1.00 . A A . 16 DHA HB2 1 1
12 2888 1 1 16 DHA N N 4.670 1.555 4.825 1.00 . A A . 16 DHA N 1 1
12 2889 1 1 16 DHA O O 3.709 -1.320 6.667 1.00 . A A . 16 DHA O 1 1
12 2890 1 1 17 GLU C C 3.561 -3.107 3.759 1.00 . A A . 17 GLU C 1 1
12 2891 1 1 17 GLU CA C 2.612 -2.005 4.217 1.00 . A A . 17 GLU CA 1 1
12 2892 1 1 17 GLU CB C 1.574 -1.710 3.131 1.00 . A A . 17 GLU CB 1 1
12 2893 1 1 17 GLU CD C 1.082 -0.594 0.906 1.00 . A A . 17 GLU CD 1 1
12 2894 1 1 17 GLU CG C 2.121 -0.881 1.973 1.00 . A A . 17 GLU CG 1 1
12 2895 1 1 17 GLU H H 3.534 -0.163 3.793 1.00 . A A . 17 GLU H 1 1
12 2896 1 1 17 GLU HA H 2.107 -2.320 5.117 1.00 . A A . 17 GLU HA 1 1
12 2897 1 1 17 GLU HB2 H 1.211 -2.644 2.735 1.00 . A A . 17 GLU HB2 1 1
12 2898 1 1 17 GLU HB3 H 0.750 -1.171 3.574 1.00 . A A . 17 GLU HB3 1 1
12 2899 1 1 17 GLU HG2 H 2.481 0.061 2.362 1.00 . A A . 17 GLU HG2 1 1
12 2900 1 1 17 GLU HG3 H 2.942 -1.419 1.522 1.00 . A A . 17 GLU HG3 1 1
12 2901 1 1 17 GLU N N 3.359 -0.798 4.516 1.00 . A A . 17 GLU N 1 1
12 2902 1 1 17 GLU O O 3.193 -4.278 3.693 1.00 . A A . 17 GLU O 1 1
12 2903 1 1 17 GLU OE1 O 0.821 -1.495 0.081 1.00 . A A . 17 GLU OE1 1 1
12 2904 1 1 17 GLU OE2 O 0.538 0.533 0.881 1.00 . A A . 17 GLU OE2 1 1
12 2905 1 1 18 CYS C C 7.108 -3.416 3.327 1.00 . A A . 18 CYS C 1 1
12 2906 1 1 18 CYS CA C 5.708 -3.615 2.753 1.00 . A A . 18 CYS CA 1 1
12 2907 1 1 18 CYS CB C 5.691 -3.430 1.237 1.00 . A A . 18 CYS CB 1 1
12 2908 1 1 18 CYS H H 4.953 -1.739 3.356 1.00 . A A . 18 CYS H 1 1
12 2909 1 1 18 CYS HA H 5.386 -4.619 2.982 1.00 . A A . 18 CYS HA 1 1
12 2910 1 1 18 CYS HB2 H 5.805 -2.380 1.013 1.00 . A A . 18 CYS HB2 1 1
12 2911 1 1 18 CYS HB3 H 6.504 -3.975 0.786 1.00 . A A . 18 CYS HB3 1 1
12 2912 1 1 18 CYS N N 4.749 -2.697 3.340 1.00 . A A . 18 CYS N 1 1
12 2913 1 1 18 CYS O O 7.643 -4.301 3.989 1.00 . A A . 18 CYS O 1 1
12 2914 1 1 18 CYS SG S 4.157 -3.999 0.501 1.00 . A A . 18 CYS SG 1 1
12 2915 1 1 19 ILE C C 9.014 -0.862 4.635 1.00 . A A . 19 ILE C 1 1
12 2916 1 1 19 ILE CA C 9.034 -1.982 3.599 1.00 . A A . 19 ILE CA 1 1
12 2917 1 1 19 ILE CB C 10.014 -1.627 2.455 1.00 . A A . 19 ILE CB 1 1
12 2918 1 1 19 ILE CD1 C 10.890 -2.437 0.192 1.00 . A A . 19 ILE CD1 1 1
12 2919 1 1 19 ILE CG1 C 9.984 -2.716 1.375 1.00 . A A . 19 ILE CG1 1 1
12 2920 1 1 19 ILE CG2 C 11.429 -1.459 2.996 1.00 . A A . 19 ILE CG2 1 1
12 2921 1 1 19 ILE H H 7.220 -1.551 2.599 1.00 . A A . 19 ILE H 1 1
12 2922 1 1 19 ILE HA H 9.387 -2.885 4.075 1.00 . A A . 19 ILE HA 1 1
12 2923 1 1 19 ILE HB H 9.707 -0.689 2.022 1.00 . A A . 19 ILE HB 1 1
12 2924 1 1 19 ILE HD11 H 10.478 -2.900 -0.694 1.00 . A A . 19 ILE HD11 1 1
12 2925 1 1 19 ILE HD12 H 11.872 -2.843 0.388 1.00 . A A . 19 ILE HD12 1 1
12 2926 1 1 19 ILE HD13 H 10.964 -1.372 0.038 1.00 . A A . 19 ILE HD13 1 1
12 2927 1 1 19 ILE HG12 H 10.293 -3.653 1.811 1.00 . A A . 19 ILE HG12 1 1
12 2928 1 1 19 ILE HG13 H 8.974 -2.815 1.002 1.00 . A A . 19 ILE HG13 1 1
12 2929 1 1 19 ILE HG21 H 12.106 -2.075 2.423 1.00 . A A . 19 ILE HG21 1 1
12 2930 1 1 19 ILE HG22 H 11.459 -1.761 4.032 1.00 . A A . 19 ILE HG22 1 1
12 2931 1 1 19 ILE HG23 H 11.727 -0.424 2.911 1.00 . A A . 19 ILE HG23 1 1
12 2932 1 1 19 ILE N N 7.697 -2.248 3.097 1.00 . A A . 19 ILE N 1 1
12 2933 1 1 19 ILE O O 8.989 -1.127 5.837 1.00 . A A . 19 ILE O 1 1
12 2934 1 1 20 TEE CA C 9.041 1.423 5.059 1.00 . A A . 20 TEE CA 1 1
12 2935 1 1 20 TEE CB C 8.191 2.527 4.867 1.00 . A A . 20 TEE CB 1 1
12 2936 1 1 20 TEE HA H 8.002 1.209 5.268 1.00 . A A . 20 TEE HA 1 1
12 2937 1 1 20 TEE HB2 H 7.872 3.114 5.714 1.00 . A A . 20 TEE HB2 1 1
12 2938 1 1 20 TEE HN1 H 9.041 0.491 3.195 1.00 . A A . 20 TEE HN1 1 1
12 2939 1 1 20 TEE N N 9.031 0.379 4.174 1.00 . A A . 20 TEE N 1 1
12 2940 1 1 20 TEE SG S 7.132 3.953 4.559 1.00 . A A . 20 TEE SG 1 1
13 2941 1 1 1 CYS C C -2.934 2.322 1.830 1.00 . A A . 1 CYS C 1 1
13 2942 1 1 1 CYS CA C -1.873 1.665 2.705 1.00 . A A . 1 CYS CA 1 1
13 2943 1 1 1 CYS CB C -2.175 1.916 4.179 1.00 . A A . 1 CYS CB 1 1
13 2944 1 1 1 CYS H1 H -0.599 3.136 2.005 1.00 . A A . 1 CYS H1 1 1
13 2945 1 1 1 CYS H2 H -0.080 1.556 1.656 1.00 . A A . 1 CYS H2 1 1
13 2946 1 1 1 CYS H3 H 0.069 2.180 3.232 1.00 . A A . 1 CYS H3 1 1
13 2947 1 1 1 CYS HA H -1.884 0.600 2.521 1.00 . A A . 1 CYS HA 1 1
13 2948 1 1 1 CYS HB2 H -1.496 1.330 4.783 1.00 . A A . 1 CYS HB2 1 1
13 2949 1 1 1 CYS HB3 H -2.026 2.964 4.395 1.00 . A A . 1 CYS HB3 1 1
13 2950 1 1 1 CYS N N -0.529 2.171 2.378 1.00 . A A . 1 CYS N 1 1
13 2951 1 1 1 CYS O O -2.783 3.479 1.432 1.00 . A A . 1 CYS O 1 1
13 2952 1 1 1 CYS SG S -3.862 1.478 4.633 1.00 . A A . 1 CYS SG 1 1
13 2953 1 1 2 ABA C C -3.125 -0.726 1.347 1.00 . A A . 2 ABA C 1 1
13 2954 1 1 2 ABA CA C -4.183 0.201 1.951 1.00 . A A . 2 ABA CA 1 1
13 2955 1 1 2 ABA CB C -4.153 0.103 3.495 1.00 . A A . 2 ABA CB 1 1
13 2956 1 1 2 ABA CG C -5.541 0.351 4.066 1.00 . A A . 2 ABA CG 1 1
13 2957 1 1 2 ABA H H -4.688 1.982 0.928 1.00 . A A . 2 ABA H 1 1
13 2958 1 1 2 ABA HA H -5.156 -0.125 1.613 1.00 . A A . 2 ABA HA 1 1
13 2959 1 1 2 ABA HB3 H -3.854 -0.900 3.763 1.00 . A A . 2 ABA HB3 1 1
13 2960 1 1 2 ABA HG1 H -5.456 0.675 5.094 1.00 . A A . 2 ABA HG1 1 1
13 2961 1 1 2 ABA HG2 H -6.115 -0.562 4.025 1.00 . A A . 2 ABA HG2 1 1
13 2962 1 1 2 ABA HG3 H -6.038 1.116 3.488 1.00 . A A . 2 ABA HG3 1 1
13 2963 1 1 2 ABA N N -3.998 1.583 1.501 1.00 . A A . 2 ABA N 1 1
13 2964 1 1 2 ABA O O -2.475 -0.369 0.366 1.00 . A A . 2 ABA O 1 1
13 2965 1 1 3 PHE C C -2.267 -3.330 0.056 1.00 . A A . 3 PHE C 1 1
13 2966 1 1 3 PHE CA C -1.957 -2.868 1.476 1.00 . A A . 3 PHE CA 1 1
13 2967 1 1 3 PHE CB C -1.907 -4.072 2.425 1.00 . A A . 3 PHE CB 1 1
13 2968 1 1 3 PHE CD1 C 0.378 -4.805 1.696 1.00 . A A . 3 PHE CD1 1 1
13 2969 1 1 3 PHE CD2 C -1.315 -6.465 1.944 1.00 . A A . 3 PHE CD2 1 1
13 2970 1 1 3 PHE CE1 C 1.281 -5.778 1.315 1.00 . A A . 3 PHE CE1 1 1
13 2971 1 1 3 PHE CE2 C -0.417 -7.441 1.562 1.00 . A A . 3 PHE CE2 1 1
13 2972 1 1 3 PHE CG C -0.930 -5.137 2.011 1.00 . A A . 3 PHE CG 1 1
13 2973 1 1 3 PHE CZ C 0.868 -7.109 1.239 1.00 . A A . 3 PHE CZ 1 1
13 2974 1 1 3 PHE H H -3.518 -2.136 2.708 1.00 . A A . 3 PHE H 1 1
13 2975 1 1 3 PHE HA H -0.994 -2.381 1.481 1.00 . A A . 3 PHE HA 1 1
13 2976 1 1 3 PHE HB2 H -1.627 -3.733 3.411 1.00 . A A . 3 PHE HB2 1 1
13 2977 1 1 3 PHE HB3 H -2.889 -4.522 2.471 1.00 . A A . 3 PHE HB3 1 1
13 2978 1 1 3 PHE HD1 H 0.691 -3.773 1.746 1.00 . A A . 3 PHE HD1 1 1
13 2979 1 1 3 PHE HD2 H -2.333 -6.735 2.184 1.00 . A A . 3 PHE HD2 1 1
13 2980 1 1 3 PHE HE1 H 2.298 -5.508 1.072 1.00 . A A . 3 PHE HE1 1 1
13 2981 1 1 3 PHE HE2 H -0.731 -8.474 1.513 1.00 . A A . 3 PHE HE2 1 1
13 2982 1 1 3 PHE HZ H 1.568 -7.873 0.938 1.00 . A A . 3 PHE HZ 1 1
13 2983 1 1 3 PHE N N -2.948 -1.900 1.942 1.00 . A A . 3 PHE N 1 1
13 2984 1 1 3 PHE O O -3.139 -4.175 -0.160 1.00 . A A . 3 PHE O 1 1
13 2985 1 1 4 ABA C C -2.741 -2.113 -2.980 1.00 . A A . 4 ABA C 1 1
13 2986 1 1 4 ABA CA C -1.795 -3.098 -2.305 1.00 . A A . 4 ABA CA 1 1
13 2987 1 1 4 ABA CB C -0.471 -3.148 -3.093 1.00 . A A . 4 ABA CB 1 1
13 2988 1 1 4 ABA CG C 0.132 -4.538 -3.035 1.00 . A A . 4 ABA CG 1 1
13 2989 1 1 4 ABA H H -0.899 -2.069 -0.678 1.00 . A A . 4 ABA H 1 1
13 2990 1 1 4 ABA HA H -2.241 -4.081 -2.333 1.00 . A A . 4 ABA HA 1 1
13 2991 1 1 4 ABA HB3 H -0.681 -2.911 -4.126 1.00 . A A . 4 ABA HB3 1 1
13 2992 1 1 4 ABA HG1 H 0.414 -4.764 -2.018 1.00 . A A . 4 ABA HG1 1 1
13 2993 1 1 4 ABA HG2 H 1.006 -4.574 -3.669 1.00 . A A . 4 ABA HG2 1 1
13 2994 1 1 4 ABA HG3 H -0.592 -5.260 -3.379 1.00 . A A . 4 ABA HG3 1 1
13 2995 1 1 4 ABA N N -1.577 -2.748 -0.910 1.00 . A A . 4 ABA N 1 1
13 2996 1 1 4 ABA O O -2.894 -2.122 -4.204 1.00 . A A . 4 ABA O 1 1
13 2997 1 1 5 LEU C C -4.026 1.094 -2.214 1.00 . A A . 5 LEU C 1 1
13 2998 1 1 5 LEU CA C -4.339 -0.309 -2.709 1.00 . A A . 5 LEU CA 1 1
13 2999 1 1 5 LEU CB C -5.772 -0.699 -2.356 1.00 . A A . 5 LEU CB 1 1
13 3000 1 1 5 LEU CD1 C -7.721 -2.228 -2.737 1.00 . A A . 5 LEU CD1 1 1
13 3001 1 1 5 LEU CD2 C -6.356 -1.426 -4.673 1.00 . A A . 5 LEU CD2 1 1
13 3002 1 1 5 LEU CG C -6.331 -1.835 -3.208 1.00 . A A . 5 LEU CG 1 1
13 3003 1 1 5 LEU H H -3.227 -1.311 -1.213 1.00 . A A . 5 LEU H 1 1
13 3004 1 1 5 LEU HA H -4.240 -0.320 -3.786 1.00 . A A . 5 LEU HA 1 1
13 3005 1 1 5 LEU HB2 H -5.802 -0.999 -1.317 1.00 . A A . 5 LEU HB2 1 1
13 3006 1 1 5 LEU HB3 H -6.406 0.166 -2.484 1.00 . A A . 5 LEU HB3 1 1
13 3007 1 1 5 LEU HD11 H -8.455 -1.593 -3.213 1.00 . A A . 5 LEU HD11 1 1
13 3008 1 1 5 LEU HD12 H -7.784 -2.110 -1.664 1.00 . A A . 5 LEU HD12 1 1
13 3009 1 1 5 LEU HD13 H -7.913 -3.258 -2.998 1.00 . A A . 5 LEU HD13 1 1
13 3010 1 1 5 LEU HD21 H -7.257 -0.865 -4.876 1.00 . A A . 5 LEU HD21 1 1
13 3011 1 1 5 LEU HD22 H -6.331 -2.310 -5.294 1.00 . A A . 5 LEU HD22 1 1
13 3012 1 1 5 LEU HD23 H -5.491 -0.809 -4.886 1.00 . A A . 5 LEU HD23 1 1
13 3013 1 1 5 LEU HG H -5.685 -2.694 -3.114 1.00 . A A . 5 LEU HG 1 1
13 3014 1 1 5 LEU N N -3.398 -1.284 -2.182 1.00 . A A . 5 LEU N 1 1
13 3015 1 1 5 LEU O O -4.548 1.547 -1.200 1.00 . A A . 5 LEU O 1 1
13 3016 1 1 6 PRO C C -3.941 4.158 -2.778 1.00 . A A . 6 PRO C 1 1
13 3017 1 1 6 PRO CA C -2.778 3.177 -2.643 1.00 . A A . 6 PRO CA 1 1
13 3018 1 1 6 PRO CB C -1.700 3.488 -3.683 1.00 . A A . 6 PRO CB 1 1
13 3019 1 1 6 PRO CD C -2.540 1.306 -4.185 1.00 . A A . 6 PRO CD 1 1
13 3020 1 1 6 PRO CG C -1.955 2.540 -4.803 1.00 . A A . 6 PRO CG 1 1
13 3021 1 1 6 PRO HA H -2.359 3.252 -1.652 1.00 . A A . 6 PRO HA 1 1
13 3022 1 1 6 PRO HB2 H -1.794 4.515 -4.005 1.00 . A A . 6 PRO HB2 1 1
13 3023 1 1 6 PRO HB3 H -0.724 3.331 -3.248 1.00 . A A . 6 PRO HB3 1 1
13 3024 1 1 6 PRO HD2 H -3.278 0.865 -4.838 1.00 . A A . 6 PRO HD2 1 1
13 3025 1 1 6 PRO HD3 H -1.764 0.591 -3.958 1.00 . A A . 6 PRO HD3 1 1
13 3026 1 1 6 PRO HG2 H -2.655 2.974 -5.499 1.00 . A A . 6 PRO HG2 1 1
13 3027 1 1 6 PRO HG3 H -1.027 2.303 -5.301 1.00 . A A . 6 PRO HG3 1 1
13 3028 1 1 6 PRO N N -3.170 1.801 -2.956 1.00 . A A . 6 PRO N 1 1
13 3029 1 1 6 PRO O O -4.143 4.764 -3.836 1.00 . A A . 6 PRO O 1 1
13 3030 1 1 7 GLY C C -5.670 6.401 -0.926 1.00 . A A . 7 GLY C 1 1
13 3031 1 1 7 GLY CA C -5.875 5.156 -1.758 1.00 . A A . 7 GLY CA 1 1
13 3032 1 1 7 GLY H H -4.553 3.728 -0.927 1.00 . A A . 7 GLY H 1 1
13 3033 1 1 7 GLY HA2 H -6.064 5.447 -2.783 1.00 . A A . 7 GLY HA2 1 1
13 3034 1 1 7 GLY HA3 H -6.735 4.620 -1.382 1.00 . A A . 7 GLY HA3 1 1
13 3035 1 1 7 GLY N N -4.725 4.281 -1.722 1.00 . A A . 7 GLY N 1 1
13 3036 1 1 7 GLY O O -6.266 7.444 -1.203 1.00 . A A . 7 GLY O 1 1
13 3037 1 1 8 GLY C C -3.719 7.040 2.161 1.00 . A A . 8 GLY C 1 1
13 3038 1 1 8 GLY CA C -4.576 7.416 0.970 1.00 . A A . 8 GLY CA 1 1
13 3039 1 1 8 GLY H H -4.417 5.419 0.283 1.00 . A A . 8 GLY H 1 1
13 3040 1 1 8 GLY HA2 H -4.068 8.179 0.399 1.00 . A A . 8 GLY HA2 1 1
13 3041 1 1 8 GLY HA3 H -5.515 7.813 1.326 1.00 . A A . 8 GLY HA3 1 1
13 3042 1 1 8 GLY N N -4.844 6.286 0.104 1.00 . A A . 8 GLY N 1 1
13 3043 1 1 8 GLY O O -4.235 6.634 3.203 1.00 . A A . 8 GLY O 1 1
13 3044 1 1 9 GLY C C -0.503 5.745 2.664 1.00 . A A . 9 GLY C 1 1
13 3045 1 1 9 GLY CA C -1.510 6.798 3.076 1.00 . A A . 9 GLY CA 1 1
13 3046 1 1 9 GLY H H -2.053 7.458 1.138 1.00 . A A . 9 GLY H 1 1
13 3047 1 1 9 GLY HA2 H -0.979 7.684 3.391 1.00 . A A . 9 GLY HA2 1 1
13 3048 1 1 9 GLY HA3 H -2.088 6.422 3.907 1.00 . A A . 9 GLY HA3 1 1
13 3049 1 1 9 GLY N N -2.412 7.147 2.001 1.00 . A A . 9 GLY N 1 1
13 3050 1 1 9 GLY O O -0.244 4.802 3.409 1.00 . A A . 9 GLY O 1 1
13 3051 1 1 10 GLY C C 0.618 4.390 -0.394 1.00 . A A . 10 GLY C 1 1
13 3052 1 1 10 GLY CA C 0.987 4.904 0.976 1.00 . A A . 10 GLY CA 1 1
13 3053 1 1 10 GLY H H -0.253 6.606 0.874 1.00 . A A . 10 GLY H 1 1
13 3054 1 1 10 GLY HA2 H 1.962 5.368 0.927 1.00 . A A . 10 GLY HA2 1 1
13 3055 1 1 10 GLY HA3 H 1.024 4.074 1.665 1.00 . A A . 10 GLY HA3 1 1
13 3056 1 1 10 GLY N N 0.033 5.874 1.459 1.00 . A A . 10 GLY N 1 1
13 3057 1 1 10 GLY O O -0.542 4.469 -0.799 1.00 . A A . 10 GLY O 1 1
13 3058 1 1 11 VAL C C 1.616 1.776 -2.354 1.00 . A A . 11 VAL C 1 1
13 3059 1 1 11 VAL CA C 1.377 3.283 -2.415 1.00 . A A . 11 VAL CA 1 1
13 3060 1 1 11 VAL CB C 2.308 3.932 -3.469 1.00 . A A . 11 VAL CB 1 1
13 3061 1 1 11 VAL CG1 C 1.925 3.510 -4.880 1.00 . A A . 11 VAL CG1 1 1
13 3062 1 1 11 VAL CG2 C 2.288 5.446 -3.343 1.00 . A A . 11 VAL CG2 1 1
13 3063 1 1 11 VAL H H 2.491 3.770 -0.690 1.00 . A A . 11 VAL H 1 1
13 3064 1 1 11 VAL HA H 0.348 3.472 -2.694 1.00 . A A . 11 VAL HA 1 1
13 3065 1 1 11 VAL HB H 3.317 3.595 -3.281 1.00 . A A . 11 VAL HB 1 1
13 3066 1 1 11 VAL HG11 H 0.890 3.756 -5.061 1.00 . A A . 11 VAL HG11 1 1
13 3067 1 1 11 VAL HG12 H 2.066 2.445 -4.987 1.00 . A A . 11 VAL HG12 1 1
13 3068 1 1 11 VAL HG13 H 2.550 4.029 -5.594 1.00 . A A . 11 VAL HG13 1 1
13 3069 1 1 11 VAL HG21 H 3.290 5.807 -3.165 1.00 . A A . 11 VAL HG21 1 1
13 3070 1 1 11 VAL HG22 H 1.651 5.730 -2.517 1.00 . A A . 11 VAL HG22 1 1
13 3071 1 1 11 VAL HG23 H 1.906 5.880 -4.257 1.00 . A A . 11 VAL HG23 1 1
13 3072 1 1 11 VAL N N 1.597 3.846 -1.095 1.00 . A A . 11 VAL N 1 1
13 3073 1 1 11 VAL O O 2.228 1.295 -1.408 1.00 . A A . 11 VAL O 1 1
13 3074 1 1 12 CYS C C 2.604 -0.891 -3.223 1.00 . A A . 12 CYS C 1 1
13 3075 1 1 12 CYS CA C 1.157 -0.420 -3.303 1.00 . A A . 12 CYS CA 1 1
13 3076 1 1 12 CYS CB C 0.513 -1.005 -4.555 1.00 . A A . 12 CYS CB 1 1
13 3077 1 1 12 CYS H H 0.542 1.476 -4.007 1.00 . A A . 12 CYS H 1 1
13 3078 1 1 12 CYS HA H 0.627 -0.780 -2.438 1.00 . A A . 12 CYS HA 1 1
13 3079 1 1 12 CYS HB2 H -0.505 -0.655 -4.621 1.00 . A A . 12 CYS HB2 1 1
13 3080 1 1 12 CYS HB3 H 1.066 -0.662 -5.417 1.00 . A A . 12 CYS HB3 1 1
13 3081 1 1 12 CYS N N 1.063 1.036 -3.307 1.00 . A A . 12 CYS N 1 1
13 3082 1 1 12 CYS O O 3.365 -0.772 -4.186 1.00 . A A . 12 CYS O 1 1
13 3083 1 1 12 CYS SG S 0.497 -2.807 -4.576 1.00 . A A . 12 CYS SG 1 1
13 3084 1 1 13 ABA C C 5.256 -0.844 -1.364 1.00 . A A . 13 ABA C 1 1
13 3085 1 1 13 ABA CA C 4.323 -1.936 -1.869 1.00 . A A . 13 ABA CA 1 1
13 3086 1 1 13 ABA CB C 4.321 -3.111 -0.893 1.00 . A A . 13 ABA CB 1 1
13 3087 1 1 13 ABA CG C 3.342 -4.186 -1.339 1.00 . A A . 13 ABA CG 1 1
13 3088 1 1 13 ABA H H 2.324 -1.476 -1.331 1.00 . A A . 13 ABA H 1 1
13 3089 1 1 13 ABA HA H 4.696 -2.295 -2.811 1.00 . A A . 13 ABA HA 1 1
13 3090 1 1 13 ABA HB3 H 4.006 -2.750 0.073 1.00 . A A . 13 ABA HB3 1 1
13 3091 1 1 13 ABA HG1 H 3.177 -4.104 -2.405 1.00 . A A . 13 ABA HG1 1 1
13 3092 1 1 13 ABA HG2 H 2.406 -4.056 -0.819 1.00 . A A . 13 ABA HG2 1 1
13 3093 1 1 13 ABA HG3 H 3.750 -5.160 -1.108 1.00 . A A . 13 ABA HG3 1 1
13 3094 1 1 13 ABA N N 2.979 -1.419 -2.070 1.00 . A A . 13 ABA N 1 1
13 3095 1 1 13 ABA O O 6.432 -1.091 -1.090 1.00 . A A . 13 ABA O 1 1
13 3096 1 1 14 LEU C C 5.033 2.221 0.222 1.00 . A A . 14 LEU C 1 1
13 3097 1 1 14 LEU CA C 5.565 1.541 -1.033 1.00 . A A . 14 LEU CA 1 1
13 3098 1 1 14 LEU CB C 5.551 2.530 -2.206 1.00 . A A . 14 LEU CB 1 1
13 3099 1 1 14 LEU CD1 C 5.697 2.989 -4.665 1.00 . A A . 14 LEU CD1 1 1
13 3100 1 1 14 LEU CD2 C 7.093 1.173 -3.664 1.00 . A A . 14 LEU CD2 1 1
13 3101 1 1 14 LEU CG C 5.764 1.912 -3.594 1.00 . A A . 14 LEU CG 1 1
13 3102 1 1 14 LEU H H 3.824 0.516 -1.640 1.00 . A A . 14 LEU H 1 1
13 3103 1 1 14 LEU HA H 6.578 1.211 -0.858 1.00 . A A . 14 LEU HA 1 1
13 3104 1 1 14 LEU HB2 H 4.597 3.035 -2.204 1.00 . A A . 14 LEU HB2 1 1
13 3105 1 1 14 LEU HB3 H 6.326 3.263 -2.040 1.00 . A A . 14 LEU HB3 1 1
13 3106 1 1 14 LEU HD11 H 4.828 3.609 -4.497 1.00 . A A . 14 LEU HD11 1 1
13 3107 1 1 14 LEU HD12 H 5.625 2.525 -5.637 1.00 . A A . 14 LEU HD12 1 1
13 3108 1 1 14 LEU HD13 H 6.587 3.599 -4.621 1.00 . A A . 14 LEU HD13 1 1
13 3109 1 1 14 LEU HD21 H 7.891 1.831 -3.353 1.00 . A A . 14 LEU HD21 1 1
13 3110 1 1 14 LEU HD22 H 7.270 0.850 -4.680 1.00 . A A . 14 LEU HD22 1 1
13 3111 1 1 14 LEU HD23 H 7.060 0.312 -3.013 1.00 . A A . 14 LEU HD23 1 1
13 3112 1 1 14 LEU HG H 4.969 1.199 -3.790 1.00 . A A . 14 LEU HG 1 1
13 3113 1 1 14 LEU N N 4.757 0.380 -1.358 1.00 . A A . 14 LEU N 1 1
13 3114 1 1 14 LEU O O 4.070 2.989 0.165 1.00 . A A . 14 LEU O 1 1
13 3115 1 1 15 ABA C C 5.270 1.371 3.714 1.00 . A A . 15 ABA C 1 1
13 3116 1 1 15 ABA CA C 5.181 2.439 2.630 1.00 . A A . 15 ABA CA 1 1
13 3117 1 1 15 ABA CB C 6.003 3.682 3.045 1.00 . A A . 15 ABA CB 1 1
13 3118 1 1 15 ABA CG C 5.313 4.942 2.546 1.00 . A A . 15 ABA CG 1 1
13 3119 1 1 15 ABA H H 6.362 1.247 1.345 1.00 . A A . 15 ABA H 1 1
13 3120 1 1 15 ABA HA H 4.148 2.736 2.520 1.00 . A A . 15 ABA HA 1 1
13 3121 1 1 15 ABA HB3 H 6.037 3.721 4.124 1.00 . A A . 15 ABA HB3 1 1
13 3122 1 1 15 ABA HG1 H 5.236 4.909 1.471 1.00 . A A . 15 ABA HG1 1 1
13 3123 1 1 15 ABA HG2 H 5.888 5.809 2.837 1.00 . A A . 15 ABA HG2 1 1
13 3124 1 1 15 ABA HG3 H 4.324 5.007 2.976 1.00 . A A . 15 ABA HG3 1 1
13 3125 1 1 15 ABA N N 5.625 1.898 1.357 1.00 . A A . 15 ABA N 1 1
13 3126 1 1 15 ABA O O 5.908 0.332 3.517 1.00 . A A . 15 ABA O 1 1
13 3127 1 1 16 DHA C C 3.888 -0.577 5.696 1.00 . A A . 16 DHA C 1 1
13 3128 1 1 16 DHA CA C 4.571 0.659 5.827 1.00 . A A . 16 DHA CA 1 1
13 3129 1 1 16 DHA CB C 5.238 0.928 6.955 1.00 . A A . 16 DHA CB 1 1
13 3130 1 1 16 DHA H H 4.036 2.419 4.849 1.00 . A A . 16 DHA H 1 1
13 3131 1 1 16 DHA HB1 H 5.761 1.867 7.064 1.00 . A A . 16 DHA HB1 1 1
13 3132 1 1 16 DHA HB2 H 5.256 0.205 7.758 1.00 . A A . 16 DHA HB2 1 1
13 3133 1 1 16 DHA N N 4.562 1.586 4.816 1.00 . A A . 16 DHA N 1 1
13 3134 1 1 16 DHA O O 3.823 -1.373 6.638 1.00 . A A . 16 DHA O 1 1
13 3135 1 1 17 GLU C C 3.627 -3.156 3.772 1.00 . A A . 17 GLU C 1 1
13 3136 1 1 17 GLU CA C 2.662 -2.061 4.212 1.00 . A A . 17 GLU CA 1 1
13 3137 1 1 17 GLU CB C 1.624 -1.805 3.114 1.00 . A A . 17 GLU CB 1 1
13 3138 1 1 17 GLU CD C 1.127 -0.750 0.864 1.00 . A A . 17 GLU CD 1 1
13 3139 1 1 17 GLU CG C 2.159 -0.975 1.952 1.00 . A A . 17 GLU CG 1 1
13 3140 1 1 17 GLU H H 3.493 -0.173 3.788 1.00 . A A . 17 GLU H 1 1
13 3141 1 1 17 GLU HA H 2.155 -2.376 5.113 1.00 . A A . 17 GLU HA 1 1
13 3142 1 1 17 GLU HB2 H 1.291 -2.752 2.724 1.00 . A A . 17 GLU HB2 1 1
13 3143 1 1 17 GLU HB3 H 0.782 -1.284 3.542 1.00 . A A . 17 GLU HB3 1 1
13 3144 1 1 17 GLU HG2 H 2.474 -0.015 2.330 1.00 . A A . 17 GLU HG2 1 1
13 3145 1 1 17 GLU HG3 H 3.008 -1.487 1.523 1.00 . A A . 17 GLU HG3 1 1
13 3146 1 1 17 GLU N N 3.381 -0.833 4.502 1.00 . A A . 17 GLU N 1 1
13 3147 1 1 17 GLU O O 3.266 -4.330 3.713 1.00 . A A . 17 GLU O 1 1
13 3148 1 1 17 GLU OE1 O 0.941 -1.663 0.034 1.00 . A A . 17 GLU OE1 1 1
13 3149 1 1 17 GLU OE2 O 0.517 0.342 0.825 1.00 . A A . 17 GLU OE2 1 1
13 3150 1 1 18 CYS C C 7.191 -3.476 3.468 1.00 . A A . 18 CYS C 1 1
13 3151 1 1 18 CYS CA C 5.808 -3.683 2.852 1.00 . A A . 18 CYS CA 1 1
13 3152 1 1 18 CYS CB C 5.824 -3.529 1.336 1.00 . A A . 18 CYS CB 1 1
13 3153 1 1 18 CYS H H 5.042 -1.798 3.411 1.00 . A A . 18 CYS H 1 1
13 3154 1 1 18 CYS HA H 5.472 -4.682 3.093 1.00 . A A . 18 CYS HA 1 1
13 3155 1 1 18 CYS HB2 H 5.938 -2.483 1.095 1.00 . A A . 18 CYS HB2 1 1
13 3156 1 1 18 CYS HB3 H 6.648 -4.077 0.911 1.00 . A A . 18 CYS HB3 1 1
13 3157 1 1 18 CYS N N 4.831 -2.753 3.395 1.00 . A A . 18 CYS N 1 1
13 3158 1 1 18 CYS O O 7.632 -4.277 4.287 1.00 . A A . 18 CYS O 1 1
13 3159 1 1 18 CYS SG S 4.307 -4.116 0.581 1.00 . A A . 18 CYS SG 1 1
13 3160 1 1 19 ILE C C 9.126 -0.871 4.544 1.00 . A A . 19 ILE C 1 1
13 3161 1 1 19 ILE CA C 9.181 -2.106 3.651 1.00 . A A . 19 ILE CA 1 1
13 3162 1 1 19 ILE CB C 10.229 -1.889 2.535 1.00 . A A . 19 ILE CB 1 1
13 3163 1 1 19 ILE CD1 C 11.181 -2.901 0.397 1.00 . A A . 19 ILE CD1 1 1
13 3164 1 1 19 ILE CG1 C 10.250 -3.084 1.577 1.00 . A A . 19 ILE CG1 1 1
13 3165 1 1 19 ILE CG2 C 11.609 -1.671 3.141 1.00 . A A . 19 ILE CG2 1 1
13 3166 1 1 19 ILE H H 7.458 -1.759 2.469 1.00 . A A . 19 ILE H 1 1
13 3167 1 1 19 ILE HA H 9.489 -2.955 4.245 1.00 . A A . 19 ILE HA 1 1
13 3168 1 1 19 ILE HB H 9.958 -1.001 1.985 1.00 . A A . 19 ILE HB 1 1
13 3169 1 1 19 ILE HD11 H 11.527 -3.865 0.059 1.00 . A A . 19 ILE HD11 1 1
13 3170 1 1 19 ILE HD12 H 12.027 -2.299 0.695 1.00 . A A . 19 ILE HD12 1 1
13 3171 1 1 19 ILE HD13 H 10.652 -2.407 -0.405 1.00 . A A . 19 ILE HD13 1 1
13 3172 1 1 19 ILE HG12 H 10.569 -3.964 2.115 1.00 . A A . 19 ILE HG12 1 1
13 3173 1 1 19 ILE HG13 H 9.253 -3.244 1.192 1.00 . A A . 19 ILE HG13 1 1
13 3174 1 1 19 ILE HG21 H 11.513 -1.513 4.205 1.00 . A A . 19 ILE HG21 1 1
13 3175 1 1 19 ILE HG22 H 12.068 -0.805 2.689 1.00 . A A . 19 ILE HG22 1 1
13 3176 1 1 19 ILE HG23 H 12.224 -2.542 2.960 1.00 . A A . 19 ILE HG23 1 1
13 3177 1 1 19 ILE N N 7.862 -2.394 3.104 1.00 . A A . 19 ILE N 1 1
13 3178 1 1 19 ILE O O 9.221 -0.973 5.770 1.00 . A A . 19 ILE O 1 1
13 3179 1 1 20 TEE CA C 8.886 1.440 4.662 1.00 . A A . 20 TEE CA 1 1
13 3180 1 1 20 TEE CB C 8.479 2.638 4.047 1.00 . A A . 20 TEE CB 1 1
13 3181 1 1 20 TEE HA H 7.951 1.374 5.197 1.00 . A A . 20 TEE HA 1 1
13 3182 1 1 20 TEE HB2 H 7.447 2.952 4.106 1.00 . A A . 20 TEE HB2 1 1
13 3183 1 1 20 TEE HN1 H 8.862 0.264 2.951 1.00 . A A . 20 TEE HN1 1 1
13 3184 1 1 20 TEE N N 8.952 0.289 3.927 1.00 . A A . 20 TEE N 1 1
13 3185 1 1 20 TEE SG S 7.789 3.937 3.006 1.00 . A A . 20 TEE SG 1 1
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