NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
387834 |
1mqz   |
5580 | cing | 4-filtered-FRED | STAR | entry | full | 144 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1mqz
# This FRED archive file contains, for PDB entry <1mqz>:
#
# - 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_1mqz
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1mqz
_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 . . . 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
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 CYS HA . 1 . HA 1 1
1 1 2 1 1 1 CYS QB . 1 . HB2 1 1
2 1 1 1 1 1 CYS HA . 1 . HA 1 1
2 1 2 1 1 2 ABA HG1 . 2 . HG2% 1 1
3 1 1 1 1 1 CYS QB . 1 . HB2 1 1
3 1 2 1 1 2 ABA HG1 . 2 . HG2% 1 1
4 1 1 1 1 2 ABA HA . 2 . HA 1 1
4 1 2 1 1 2 ABA HG1 . 2 . HG2% 1 1
5 1 1 1 1 2 ABA HA . 2 . HA 1 1
5 1 2 1 1 3 PHE H . 3 . HN 1 1
6 1 1 1 1 2 ABA HA . 2 . HA 1 1
6 1 2 1 1 3 PHE QB . 3 . HB2 1 1
7 1 1 1 1 2 ABA HA . 2 . HA 1 1
7 1 2 1 1 3 PHE QD . 3 . HD% 1 1
8 1 1 1 1 2 ABA HG1 . 2 . HG2% 1 1
8 1 2 1 1 3 PHE H . 3 . HN 1 1
9 1 1 1 1 2 ABA HG1 . 2 . HG2% 1 1
9 1 2 1 1 3 PHE QB . 3 . HB1 1 1
10 1 1 1 1 2 ABA HG1 . 2 . HG2% 1 1
10 1 2 1 1 3 PHE QD . 3 . HD% 1 1
11 1 1 1 1 3 PHE H . 3 . HN 1 1
11 1 2 1 1 3 PHE HA . 3 . HA 1 1
12 1 1 1 1 3 PHE H . 3 . HN 1 1
12 1 2 1 1 3 PHE QB . 3 . HB1 1 1
13 1 1 1 1 3 PHE H . 3 . HN 1 1
13 1 2 1 1 3 PHE QD . 3 . HD% 1 1
14 1 1 1 1 3 PHE HA . 3 . HA 1 1
14 1 2 1 1 3 PHE QB . 3 . HB2 1 1
15 1 1 1 1 3 PHE HA . 3 . HA 1 1
15 1 2 1 1 3 PHE QD . 3 . HD% 1 1
16 1 1 1 1 3 PHE QB . 3 . HB2 1 1
16 1 2 1 1 3 PHE QD . 3 . HD% 1 1
17 1 1 1 1 3 PHE QB . 3 . HB1 1 1
17 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
18 1 1 1 1 3 PHE QD . 3 . HD% 1 1
18 1 2 1 1 4 ABA HA . 4 . HA 1 1
19 1 1 1 1 3 PHE QD . 3 . HD% 1 1
19 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
20 1 1 1 1 3 PHE QD . 3 . HD% 1 1
20 1 2 1 1 13 ABA HG1 . 13 . HG2% 1 1
21 1 1 1 1 3 PHE QD . 3 . HD% 1 1
21 1 2 1 1 17 GLU QG . 17 . HG2 1 1
22 1 1 1 1 3 PHE QE . 3 . HE% 1 1
22 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
23 1 1 1 1 3 PHE QE . 3 . HE% 1 1
23 1 2 1 1 13 ABA HG1 . 13 . HG2% 1 1
24 1 1 1 1 4 ABA HA . 4 . HA 1 1
24 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
25 1 1 1 1 4 ABA HA . 4 . HA 1 1
25 1 2 1 1 11 VAL HB . 11 . HB 1 1
26 1 1 1 1 4 ABA HA . 4 . HA 1 1
26 1 2 1 1 12 CYS H . 12 . HN 1 1
27 1 1 1 1 4 ABA HA . 4 . HA 1 1
27 1 2 1 1 12 CYS QB . 12 . HB1 1 1
28 1 1 1 1 4 ABA HG1 . 4 . HG2% 1 1
28 1 2 1 1 5 LEU H . 5 . HN 1 1
29 1 1 1 1 4 ABA HG1 . 4 . HG2% 1 1
29 1 2 1 1 5 LEU QB . 5 . HB2 1 1
30 1 1 1 1 4 ABA HG1 . 4 . HG2% 1 1
30 1 2 1 1 5 LEU QD . 5 . HD1% 1 1
31 1 1 1 1 4 ABA HG1 . 4 . HG2% 1 1
31 1 2 1 1 12 CYS H . 12 . HN 1 1
32 1 1 1 1 4 ABA HG1 . 4 . HG2% 1 1
32 1 2 1 1 12 CYS HA . 12 . HA 1 1
33 1 1 1 1 4 ABA HG1 . 4 . HG2% 1 1
33 1 2 1 1 12 CYS QB . 12 . HB1 1 1
34 1 1 1 1 4 ABA HG1 . 4 . HG2% 1 1
34 1 2 1 1 13 ABA HG1 . 13 . HG2% 1 1
35 1 1 1 1 5 LEU H . 5 . HN 1 1
35 1 2 1 1 5 LEU HA . 5 . HA 1 1
36 1 1 1 1 5 LEU H . 5 . HN 1 1
36 1 2 1 1 5 LEU QB . 5 . HB2 1 1
37 1 1 1 1 5 LEU H . 5 . HN 1 1
37 1 2 1 1 5 LEU QD . 5 . HD1% 1 1
38 1 1 1 1 5 LEU H . 5 . HN 1 1
38 1 2 1 1 5 LEU HG . 5 . HG 1 1
39 1 1 1 1 5 LEU H . 5 . HN 1 1
39 1 2 1 1 6 PRO HA . 6 . HA 1 1
40 1 1 1 1 5 LEU H . 5 . HN 1 1
40 1 2 1 1 6 PRO HD2 . 6 . HD2 1 1
41 1 1 1 1 5 LEU QB . 5 . HB2 1 1
41 1 2 1 1 5 LEU QD . 5 . HD1% 1 1
42 1 1 1 1 5 LEU QB . 5 . HB2 1 1
42 1 2 1 1 5 LEU HG . 5 . HG 1 1
43 1 1 1 1 5 LEU QD . 5 . HD1% 1 1
43 1 2 1 1 6 PRO HD2 . 6 . HD2 1 1
44 1 1 1 1 5 LEU QD . 5 . HD1% 1 1
44 1 2 1 1 6 PRO HD3 . 6 . HD1 1 1
45 1 1 1 1 6 PRO HA . 6 . HA 1 1
45 1 2 1 1 6 PRO HB3 . 6 . HB1 1 1
46 1 1 1 1 6 PRO HA . 6 . HA 1 1
46 1 2 1 1 6 PRO HD3 . 6 . HD1 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 HA3 . 7 . HA1 1 1
50 1 1 1 1 6 PRO HA . 6 . HA 1 1
50 1 2 1 1 8 GLY H . 8 . HN 1 1
51 1 1 1 1 6 PRO HB2 . 6 . HB2 1 1
51 1 2 1 1 7 GLY H . 7 . HN 1 1
52 1 1 1 1 6 PRO HB3 . 6 . HB1 1 1
52 1 2 1 1 6 PRO HD2 . 6 . HD2 1 1
53 1 1 1 1 6 PRO HB3 . 6 . HB1 1 1
53 1 2 1 1 6 PRO HD3 . 6 . HD1 1 1
54 1 1 1 1 6 PRO HB3 . 6 . HB1 1 1
54 1 2 1 1 7 GLY H . 7 . HN 1 1
55 1 1 1 1 6 PRO HD2 . 6 . HD2 1 1
55 1 2 1 1 11 VAL HA . 11 . HA 1 1
56 1 1 1 1 6 PRO HD2 . 6 . HD2 1 1
56 1 2 1 1 12 CYS HA . 12 . HA 1 1
57 1 1 1 1 6 PRO HD3 . 6 . HD1 1 1
57 1 2 1 1 6 PRO HG3 . 6 . HG1 1 1
58 1 1 1 1 6 PRO HD3 . 6 . HD1 1 1
58 1 2 1 1 11 VAL HA . 11 . HA 1 1
59 1 1 1 1 6 PRO HD3 . 6 . HD1 1 1
59 1 2 1 1 12 CYS HA . 12 . HA 1 1
60 1 1 1 1 6 PRO HG3 . 6 . HG1 1 1
60 1 2 1 1 7 GLY H . 7 . HN 1 1
61 1 1 1 1 7 GLY H . 7 . HN 1 1
61 1 2 1 1 7 GLY QA . 7 . HA2 1 1
62 1 1 1 1 7 GLY H . 7 . HN 1 1
62 1 2 1 1 11 VAL HA . 11 . HA 1 1
63 1 1 1 1 8 GLY H . 8 . HN 1 1
63 1 2 1 1 8 GLY HA2 . 8 . HA2 1 1
64 1 1 1 1 8 GLY H . 8 . HN 1 1
64 1 2 1 1 8 GLY HA3 . 8 . HA1 1 1
65 1 1 1 1 8 GLY H . 8 . HN 1 1
65 1 2 1 1 9 GLY H . 9 . HN 1 1
66 1 1 1 1 9 GLY H . 9 . HN 1 1
66 1 2 1 1 9 GLY HA2 . 9 . HA2 1 1
67 1 1 1 1 9 GLY H . 9 . HN 1 1
67 1 2 1 1 9 GLY HA3 . 9 . HA1 1 1
68 1 1 1 1 9 GLY H . 9 . HN 1 1
68 1 2 1 1 10 GLY H . 10 . HN 1 1
69 1 1 1 1 9 GLY HA2 . 9 . HA2 1 1
69 1 2 1 1 10 GLY H . 10 . HN 1 1
70 1 1 1 1 9 GLY HA2 . 9 . HA2 1 1
70 1 2 1 1 11 VAL H . 11 . HN 1 1
71 1 1 1 1 9 GLY HA3 . 9 . HA1 1 1
71 1 2 1 1 10 GLY H . 10 . HN 1 1
72 1 1 1 1 9 GLY HA3 . 9 . HA1 1 1
72 1 2 1 1 11 VAL H . 11 . HN 1 1
73 1 1 1 1 10 GLY H . 10 . HN 1 1
73 1 2 1 1 10 GLY HA2 . 10 . HA2 1 1
74 1 1 1 1 10 GLY H . 10 . HN 1 1
74 1 2 1 1 10 GLY HA3 . 10 . HA1 1 1
75 1 1 1 1 10 GLY H . 10 . HN 1 1
75 1 2 1 1 11 VAL H . 11 . HN 1 1
76 1 1 1 1 10 GLY HA2 . 10 . HA2 1 1
76 1 2 1 1 11 VAL H . 11 . HN 1 1
77 1 1 1 1 10 GLY HA3 . 10 . HA1 1 1
77 1 2 1 1 11 VAL H . 11 . HN 1 1
78 1 1 1 1 11 VAL H . 11 . HN 1 1
78 1 2 1 1 11 VAL HA . 11 . HA 1 1
79 1 1 1 1 11 VAL H . 11 . HN 1 1
79 1 2 1 1 11 VAL HB . 11 . HB 1 1
80 1 1 1 1 11 VAL H . 11 . HN 1 1
80 1 2 1 1 11 VAL QG . 11 . HG1% 1 1
81 1 1 1 1 11 VAL H . 11 . HN 1 1
81 1 2 1 1 12 CYS H . 12 . HN 1 1
82 1 1 1 1 11 VAL H . 11 . HN 1 1
82 1 2 1 1 14 LEU HB3 . 14 . HB1 1 1
83 1 1 1 1 11 VAL HA . 11 . HA 1 1
83 1 2 1 1 11 VAL HB . 11 . HB 1 1
84 1 1 1 1 11 VAL HA . 11 . HA 1 1
84 1 2 1 1 12 CYS QB . 12 . HB2 1 1
85 1 1 1 1 11 VAL HB . 11 . HB 1 1
85 1 2 1 1 12 CYS H . 12 . HN 1 1
86 1 1 1 1 11 VAL HB . 11 . HB 1 1
86 1 2 1 1 14 LEU H . 14 . HN 1 1
87 1 1 1 1 11 VAL QG . 11 . HG1% 1 1
87 1 2 1 1 12 CYS H . 12 . HN 1 1
88 1 1 1 1 12 CYS H . 12 . HN 1 1
88 1 2 1 1 12 CYS HA . 12 . HA 1 1
89 1 1 1 1 12 CYS H . 12 . HN 1 1
89 1 2 1 1 12 CYS QB . 12 . HB1 1 1
90 1 1 1 1 12 CYS HA . 12 . HA 1 1
90 1 2 1 1 12 CYS QB . 12 . HB1 1 1
91 1 1 1 1 12 CYS HA . 12 . HA 1 1
91 1 2 1 1 14 LEU H . 14 . HN 1 1
92 1 1 1 1 12 CYS QB . 12 . HB1 1 1
92 1 2 1 1 13 ABA HG1 . 13 . HG2% 1 1
93 1 1 1 1 13 ABA HA . 13 . HA 1 1
93 1 2 1 1 13 ABA HG1 . 13 . HG2% 1 1
94 1 1 1 1 13 ABA HA . 13 . HA 1 1
94 1 2 1 1 14 LEU H . 14 . HN 1 1
95 1 1 1 1 13 ABA HA . 13 . HA 1 1
95 1 2 1 1 18 CYS HB2 . 18 . HB2 1 1
96 1 1 1 1 13 ABA HA . 13 . HA 1 1
96 1 2 1 1 19 ILE HA . 19 . HA 1 1
97 1 1 1 1 13 ABA HG1 . 13 . HG2% 1 1
97 1 2 1 1 14 LEU H . 14 . HN 1 1
98 1 1 1 1 13 ABA HG1 . 13 . HG2% 1 1
98 1 2 1 1 18 CYS HB2 . 18 . HB2 1 1
99 1 1 1 1 13 ABA HG1 . 13 . HG2% 1 1
99 1 2 1 1 18 CYS HB3 . 18 . HB1 1 1
100 1 1 1 1 13 ABA HG1 . 13 . HG2% 1 1
100 1 2 1 1 19 ILE H . 19 . HN 1 1
101 1 1 1 1 14 LEU H . 14 . HN 1 1
101 1 2 1 1 14 LEU HB2 . 14 . HB2 1 1
102 1 1 1 1 14 LEU H . 14 . HN 1 1
102 1 2 1 1 14 LEU HB3 . 14 . HB1 1 1
103 1 1 1 1 14 LEU H . 14 . HN 1 1
103 1 2 1 1 14 LEU HG . 14 . HG 1 1
104 1 1 1 1 14 LEU HA . 14 . HA 1 1
104 1 2 1 1 14 LEU MD1 . 14 . HD1% 1 1
105 1 1 1 1 14 LEU HA . 14 . HA 1 1
105 1 2 1 1 14 LEU MD2 . 14 . HD2% 1 1
106 1 1 1 1 14 LEU HB2 . 14 . HB2 1 1
106 1 2 1 1 14 LEU MD1 . 14 . HD1% 1 1
107 1 1 1 1 14 LEU HB2 . 14 . HB2 1 1
107 1 2 1 1 14 LEU MD2 . 14 . HD2% 1 1
108 1 1 1 1 14 LEU HB3 . 14 . HB1 1 1
108 1 2 1 1 14 LEU MD1 . 14 . HD1% 1 1
109 1 1 1 1 14 LEU HB3 . 14 . HB1 1 1
109 1 2 1 1 14 LEU MD2 . 14 . HD2% 1 1
110 1 1 1 1 15 ABA HA . 15 . HA 1 1
110 1 2 1 1 15 ABA HG1 . 15 . HG2% 1 1
111 1 1 1 1 15 ABA HA . 15 . HA 1 1
111 1 2 1 1 17 GLU H . 17 . HN 1 1
112 1 1 1 1 15 ABA HG1 . 15 . HG2% 1 1
112 1 2 1 1 20 TEE HA . 20 . HA 1 1
113 1 1 1 1 17 GLU H . 17 . HN 1 1
113 1 2 1 1 17 GLU HA . 17 . HA 1 1
114 1 1 1 1 17 GLU H . 17 . HN 1 1
114 1 2 1 1 17 GLU HB2 . 17 . HB2 1 1
115 1 1 1 1 17 GLU H . 17 . HN 1 1
115 1 2 1 1 17 GLU HB3 . 17 . HB1 1 1
116 1 1 1 1 17 GLU H . 17 . HN 1 1
116 1 2 1 1 17 GLU QG . 17 . HG2 1 1
117 1 1 1 1 17 GLU H . 17 . HN 1 1
117 1 2 1 1 18 CYS H . 18 . HN 1 1
118 1 1 1 1 17 GLU HA . 17 . HA 1 1
118 1 2 1 1 18 CYS H . 18 . HN 1 1
119 1 1 1 1 17 GLU HB2 . 17 . HB2 1 1
119 1 2 1 1 17 GLU QG . 17 . HG2 1 1
120 1 1 1 1 17 GLU HB2 . 17 . HB2 1 1
120 1 2 1 1 18 CYS H . 18 . HN 1 1
121 1 1 1 1 17 GLU HB3 . 17 . HB1 1 1
121 1 2 1 1 17 GLU QG . 17 . HG2 1 1
122 1 1 1 1 17 GLU QG . 17 . HG2 1 1
122 1 2 1 1 18 CYS H . 18 . HN 1 1
123 1 1 1 1 18 CYS H . 18 . HN 1 1
123 1 2 1 1 18 CYS HB2 . 18 . HB2 1 1
124 1 1 1 1 18 CYS H . 18 . HN 1 1
124 1 2 1 1 18 CYS HB3 . 18 . HB1 1 1
125 1 1 1 1 18 CYS H . 18 . HN 1 1
125 1 2 1 1 19 ILE H . 19 . HN 1 1
126 1 1 1 1 18 CYS HA . 18 . HA 1 1
126 1 2 1 1 19 ILE H . 19 . HN 1 1
127 1 1 1 1 18 CYS HB2 . 18 . HB2 1 1
127 1 2 1 1 19 ILE H . 19 . HN 1 1
128 1 1 1 1 18 CYS HB2 . 18 . HB2 1 1
128 1 2 1 1 19 ILE HA . 19 . HA 1 1
129 1 1 1 1 18 CYS HB3 . 18 . HB1 1 1
129 1 2 1 1 19 ILE H . 19 . HN 1 1
130 1 1 1 1 18 CYS HB3 . 18 . HB1 1 1
130 1 2 1 1 19 ILE HA . 19 . HA 1 1
131 1 1 1 1 19 ILE H . 19 . HN 1 1
131 1 2 1 1 19 ILE HA . 19 . HA 1 1
132 1 1 1 1 19 ILE H . 19 . HN 1 1
132 1 2 1 1 19 ILE HB . 19 . HB 1 1
133 1 1 1 1 19 ILE H . 19 . HN 1 1
133 1 2 1 1 19 ILE MD . 19 . HD1% 1 1
134 1 1 1 1 19 ILE H . 19 . HN 1 1
134 1 2 1 1 19 ILE HG12 . 19 . HG12 1 1
135 1 1 1 1 19 ILE H . 19 . HN 1 1
135 1 2 1 1 19 ILE HG13 . 19 . HG11 1 1
136 1 1 1 1 19 ILE HA . 19 . HA 1 1
136 1 2 1 1 19 ILE MD . 19 . HD1% 1 1
137 1 1 1 1 19 ILE HA . 19 . HA 1 1
137 1 2 1 1 19 ILE MG . 19 . HG2% 1 1
138 1 1 1 1 19 ILE HA . 19 . HA 1 1
138 1 2 1 1 20 TEE HA . 20 . HA 1 1
139 1 1 1 1 19 ILE HB . 19 . HB 1 1
139 1 2 1 1 19 ILE MD . 19 . HD1% 1 1
140 1 1 1 1 19 ILE HB . 19 . HB 1 1
140 1 2 1 1 19 ILE HG12 . 19 . HG12 1 1
141 1 1 1 1 19 ILE HB . 19 . HB 1 1
141 1 2 1 1 20 TEE HA . 20 . HA 1 1
142 1 1 1 1 19 ILE MD . 19 . HD1% 1 1
142 1 2 1 1 20 TEE HA . 20 . HA 1 1
143 1 1 1 1 19 ILE HG12 . 19 . HG12 1 1
143 1 2 1 1 19 ILE MG . 19 . HG2% 1 1
144 1 1 1 1 19 ILE HG13 . 19 . HG11 1 1
144 1 2 1 1 19 ILE MG . 19 . HG2% 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 . . . . . 2.1 1.5 2.7 1 1
2 1 . . . . . 2.9 1.9 3.9 1 1
3 1 . . . . . 3.2 1.9 4.5 1 1
4 1 . . . . . 2.3 1.6 3.0 1 1
5 1 . . . . . 2.4 1.7 3.1 1 1
6 1 . . . . . 5.0 1.8 6.0 1 1
7 1 . . . . . 4.8 2.0 6.0 1 1
8 1 . . . . . 3.1 1.9 4.3 1 1
9 1 . . . . . 4.2 2.0 6.0 1 1
10 1 . . . . . 4.6 1.9 6.0 1 1
11 1 . . . . . 3.0 1.9 4.1 1 1
12 1 . . . . . . 1.9 3.1 1 1
13 1 . . . . . 3.4 2.0 4.8 1 1
14 1 . . . . . 2.7 1.9 3.6 1 1
15 1 . . . . . 3.2 1.9 4.5 1 1
16 1 . . . . . 2.6 1.8 3.3 1 1
17 1 . . . . . . 2.0 4.6 1 1
18 1 . . . . . 4.0 2.0 6.0 1 1
19 1 . . . . . 3.0 1.9 4.1 1 1
20 1 . . . . . 3.5 2.0 5.0 1 1
21 1 . . . . . 4.9 2.0 6.0 1 1
22 1 . . . . . 3.6 2.0 5.2 1 1
23 1 . . . . . 3.6 2.0 5.2 1 1
24 1 . . . . . 2.7 1.8 3.6 1 1
25 1 . . . . . 2.7 1.8 3.6 1 1
26 1 . . . . . 4.0 2.0 6.0 1 1
27 1 . . . . . 3.6 2.0 4.7 1 1
28 1 . . . . . 3.6 2.0 5.2 1 1
29 1 . . . . . 4.6 2.0 6.0 1 1
30 1 . . . . . 3.7 2.0 5.4 1 1
31 1 . . . . . 4.5 2.0 6.0 1 1
32 1 . . . . . 4.4 2.0 6.0 1 1
33 1 . . . . . 3.2 1.9 4.5 1 1
34 1 . . . . . 3.3 1.9 4.7 1 1
35 1 . . . . . 2.9 1.9 3.9 1 1
36 1 . . . . . 3.0 1.9 4.1 1 1
37 1 . . . . . 3.8 2.0 5.6 1 1
38 1 . . . . . 2.8 1.8 3.8 1 1
39 1 . . . . . 4.6 2.0 6.0 1 1
40 1 . . . . . 3.7 2.0 5.4 1 1
41 1 . . . . . 2.3 1.7 2.9 1 1
42 1 . . . . . 2.0 1.5 2.5 1 1
43 1 . . . . . 3.0 1.9 4.1 1 1
44 1 . . . . . 2.7 1.8 3.6 1 1
45 1 . . . . . 2.4 1.7 3.1 1 1
46 1 . . . . . 4.3 2.0 6.0 1 1
47 1 . . . . . 4.0 2.0 6.0 1 1
48 1 . . . . . 2.4 1.7 3.1 1 1
49 1 . . . . . 4.3 1.9 6.0 1 1
50 1 . . . . . 3.8 2.0 5.6 1 1
51 1 . . . . . 3.3 1.9 4.7 1 1
52 1 . . . . . 3.7 2.0 5.4 1 1
53 1 . . . . . 3.0 1.9 4.1 1 1
54 1 . . . . . 4.3 2.0 6.0 1 1
55 1 . . . . . 3.9 2.0 5.8 1 1
56 1 . . . . . 4.4 2.0 6.0 1 1
57 1 . . . . . 2.6 1.8 3.4 1 1
58 1 . . . . . 3.8 2.0 5.6 1 1
59 1 . . . . . 4.6 1.9 6.0 1 1
60 1 . . . . . 4.5 1.9 6.0 1 1
61 1 . . . . . 2.5 1.7 3.3 1 1
62 1 . . . . . 4.8 1.9 6.0 1 1
63 1 . . . . . 2.9 1.8 4.0 1 1
64 1 . . . . . 2.4 1.7 3.1 1 1
65 1 . . . . . 3.5 2.0 5.0 1 1
66 1 . . . . . 2.6 1.7 3.5 1 1
67 1 . . . . . 3.0 1.9 4.1 1 1
68 1 . . . . . 3.5 2.0 5.0 1 1
69 1 . . . . . 3.1 1.9 4.3 1 1
70 1 . . . . . 4.1 2.0 6.0 1 1
71 1 . . . . . 3.1 1.9 4.3 1 1
72 1 . . . . . 3.7 2.0 5.4 1 1
73 1 . . . . . 2.7 1.8 3.6 1 1
74 1 . . . . . 2.9 1.9 3.9 1 1
75 1 . . . . . 3.8 2.0 5.6 1 1
76 1 . . . . . 2.7 1.8 3.6 1 1
77 1 . . . . . 2.8 1.8 3.8 1 1
78 1 . . . . . 2.9 1.8 4.0 1 1
79 1 . . . . . 3.2 1.9 4.5 1 1
80 1 . . . . . 2.6 1.8 3.4 1 1
81 1 . . . . . 4.6 2.0 6.0 1 1
82 1 . . . . . 4.6 2.0 6.0 1 1
83 1 . . . . . 2.7 1.8 3.6 1 1
84 1 . . . . . 3.3 2.0 4.5 1 1
85 1 . . . . . 2.7 1.8 3.6 1 1
86 1 . . . . . 3.9 2.0 5.8 1 1
87 1 . . . . . 3.4 1.9 4.9 1 1
88 1 . . . . . 2.8 1.8 3.8 1 1
89 1 . . . . . 2.9 1.8 3.6 1 1
90 1 . . . . . 2.6 1.8 3.4 1 1
91 1 . . . . . 3.6 2.0 5.2 1 1
92 1 . . . . . 3.7 2.0 5.3 1 1
93 1 . . . . . 2.5 1.7 3.3 1 1
94 1 . . . . . 3.4 2.0 4.8 1 1
95 1 . . . . . 3.3 1.9 4.7 1 1
96 1 . . . . . 3.5 2.4 4.6 1 1
97 1 . . . . . 4.6 1.9 6.0 1 1
98 1 . . . . . 3.3 2.0 4.6 1 1
99 1 . . . . . 3.8 2.0 5.6 1 1
100 1 . . . . . 4.9 1.9 6.0 1 1
101 1 . . . . . 2.9 1.8 4.0 1 1
102 1 . . . . . 3.2 1.9 4.5 1 1
103 1 . . . . . 3.0 1.9 4.1 1 1
104 1 . . . . . 3.9 2.0 5.8 1 1
105 1 . . . . . 3.6 2.0 5.2 1 1
106 1 . . . . . 2.3 1.6 3.0 1 1
107 1 . . . . . 2.3 1.6 3.0 1 1
108 1 . . . . . 2.5 1.7 3.3 1 1
109 1 . . . . . 2.4 1.7 3.1 1 1
110 1 . . . . . 2.5 1.7 3.3 1 1
111 1 . . . . . 4.3 2.0 6.0 1 1
112 1 . . . . . 3.1 1.9 4.3 1 1
113 1 . . . . . 2.4 1.7 3.1 1 1
114 1 . . . . . 3.0 1.9 4.1 1 1
115 1 . . . . . 2.7 1.8 3.6 1 1
116 1 . . . . . 3.7 2.0 5.4 1 1
117 1 . . . . . 2.9 1.9 3.9 1 1
118 1 . . . . . 3.6 2.0 5.2 1 1
119 1 . . . . . 2.4 1.7 3.1 1 1
120 1 . . . . . 3.5 2.0 5.0 1 1
121 1 . . . . . 2.3 1.7 2.9 1 1
122 1 . . . . . 4.8 1.9 6.0 1 1
123 1 . . . . . 3.1 1.9 4.3 1 1
124 1 . . . . . 3.4 1.9 4.9 1 1
125 1 . . . . . 3.6 1.9 5.3 1 1
126 1 . . . . . 4.8 1.9 6.0 1 1
127 1 . . . . . 2.0 1.5 2.5 1 1
128 1 . . . . . 3.1 1.9 4.3 1 1
129 1 . . . . . 2.5 1.7 3.3 1 1
130 1 . . . . . 3.3 2.0 4.6 1 1
131 1 . . . . . 2.5 1.7 3.3 1 1
132 1 . . . . . 2.6 1.7 3.5 1 1
133 1 . . . . . 3.7 2.0 5.4 1 1
134 1 . . . . . 3.0 1.9 4.1 1 1
135 1 . . . . . 3.4 1.9 4.9 1 1
136 1 . . . . . 3.0 1.9 4.1 1 1
137 1 . . . . . 2.5 1.7 3.3 1 1
138 1 . . . . . 4.4 2.0 6.0 1 1
139 1 . . . . . 2.3 1.6 3.0 1 1
140 1 . . . . . 2.7 1.8 3.6 1 1
141 1 . . . . . 5.0 1.9 6.0 1 1
142 1 . . . . . 3.5 2.0 5.0 1 1
143 1 . . . . . 2.5 1.7 3.3 1 1
144 1 . . . . . 2.6 1.8 3.4 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 2.002 4.882 -2.417 1.00 . A A . 1 CYS C 1 1
1 2 1 1 1 CYS CA C 2.236 6.249 -1.797 1.00 . A A . 1 CYS CA 1 1
1 3 1 1 1 CYS CB C 1.705 7.349 -2.712 1.00 . A A . 1 CYS CB 1 1
1 4 1 1 1 CYS H1 H 4.153 6.784 -2.407 1.00 . A A . 1 CYS H1 1 1
1 5 1 1 1 CYS H2 H 4.114 5.586 -1.209 1.00 . A A . 1 CYS H2 1 1
1 6 1 1 1 CYS H3 H 3.796 7.197 -0.799 1.00 . A A . 1 CYS H3 1 1
1 7 1 1 1 CYS HA H 1.710 6.292 -0.854 1.00 . A A . 1 CYS HA 1 1
1 8 1 1 1 CYS HB2 H 1.808 8.302 -2.214 1.00 . A A . 1 CYS HB2 1 1
1 9 1 1 1 CYS HB3 H 2.285 7.360 -3.623 1.00 . A A . 1 CYS HB3 1 1
1 10 1 1 1 CYS N N 3.672 6.471 -1.534 1.00 . A A . 1 CYS N 1 1
1 11 1 1 1 CYS O O 2.859 4.384 -3.148 1.00 . A A . 1 CYS O 1 1
1 12 1 1 1 CYS SG S -0.028 7.118 -3.142 1.00 . A A . 1 CYS SG 1 1
1 13 1 1 2 ABA C C 0.234 4.838 0.235 1.00 . A A . 2 ABA C 1 1
1 14 1 1 2 ABA CA C -0.180 4.807 -1.237 1.00 . A A . 2 ABA CA 1 1
1 15 1 1 2 ABA CB C -0.603 6.226 -1.679 1.00 . A A . 2 ABA CB 1 1
1 16 1 1 2 ABA CG C -1.989 6.201 -2.304 1.00 . A A . 2 ABA CG 1 1
1 17 1 1 2 ABA H H 0.713 3.356 -2.503 1.00 . A A . 2 ABA H 1 1
1 18 1 1 2 ABA HA H -1.044 4.167 -1.324 1.00 . A A . 2 ABA HA 1 1
1 19 1 1 2 ABA HB3 H -0.645 6.853 -0.800 1.00 . A A . 2 ABA HB3 1 1
1 20 1 1 2 ABA HG1 H -2.565 7.038 -1.939 1.00 . A A . 2 ABA HG1 1 1
1 21 1 1 2 ABA HG2 H -2.487 5.279 -2.038 1.00 . A A . 2 ABA HG2 1 1
1 22 1 1 2 ABA HG3 H -1.901 6.265 -3.379 1.00 . A A . 2 ABA HG3 1 1
1 23 1 1 2 ABA N N 0.866 4.243 -2.107 1.00 . A A . 2 ABA N 1 1
1 24 1 1 2 ABA O O 1.400 5.056 0.564 1.00 . A A . 2 ABA O 1 1
1 25 1 1 3 PHE C C 0.527 3.591 2.941 1.00 . A A . 3 PHE C 1 1
1 26 1 1 3 PHE CA C -0.511 4.639 2.550 1.00 . A A . 3 PHE CA 1 1
1 27 1 1 3 PHE CB C -1.820 4.384 3.299 1.00 . A A . 3 PHE CB 1 1
1 28 1 1 3 PHE CD1 C -1.229 5.744 5.323 1.00 . A A . 3 PHE CD1 1 1
1 29 1 1 3 PHE CD2 C -2.079 3.540 5.649 1.00 . A A . 3 PHE CD2 1 1
1 30 1 1 3 PHE CE1 C -1.124 5.909 6.690 1.00 . A A . 3 PHE CE1 1 1
1 31 1 1 3 PHE CE2 C -1.975 3.699 7.017 1.00 . A A . 3 PHE CE2 1 1
1 32 1 1 3 PHE CG C -1.707 4.560 4.787 1.00 . A A . 3 PHE CG 1 1
1 33 1 1 3 PHE CZ C -1.498 4.885 7.539 1.00 . A A . 3 PHE CZ 1 1
1 34 1 1 3 PHE H H -1.658 4.485 0.777 1.00 . A A . 3 PHE H 1 1
1 35 1 1 3 PHE HA H -0.136 5.615 2.819 1.00 . A A . 3 PHE HA 1 1
1 36 1 1 3 PHE HB2 H -2.571 5.072 2.941 1.00 . A A . 3 PHE HB2 1 1
1 37 1 1 3 PHE HB3 H -2.144 3.372 3.105 1.00 . A A . 3 PHE HB3 1 1
1 38 1 1 3 PHE HD1 H -0.937 6.545 4.662 1.00 . A A . 3 PHE HD1 1 1
1 39 1 1 3 PHE HD2 H -2.452 2.613 5.240 1.00 . A A . 3 PHE HD2 1 1
1 40 1 1 3 PHE HE1 H -0.749 6.840 7.095 1.00 . A A . 3 PHE HE1 1 1
1 41 1 1 3 PHE HE2 H -2.266 2.897 7.678 1.00 . A A . 3 PHE HE2 1 1
1 42 1 1 3 PHE HZ H -1.416 5.013 8.608 1.00 . A A . 3 PHE HZ 1 1
1 43 1 1 3 PHE N N -0.742 4.632 1.112 1.00 . A A . 3 PHE N 1 1
1 44 1 1 3 PHE O O 0.264 2.391 2.898 1.00 . A A . 3 PHE O 1 1
1 45 1 1 4 ABA C C 4.141 3.957 3.270 1.00 . A A . 4 ABA C 1 1
1 46 1 1 4 ABA CA C 2.844 3.219 3.616 1.00 . A A . 4 ABA CA 1 1
1 47 1 1 4 ABA CB C 2.820 2.801 5.110 1.00 . A A . 4 ABA CB 1 1
1 48 1 1 4 ABA CG C 2.265 3.915 5.991 1.00 . A A . 4 ABA CG 1 1
1 49 1 1 4 ABA H H 1.854 5.040 3.236 1.00 . A A . 4 ABA H 1 1
1 50 1 1 4 ABA HA H 2.785 2.321 3.010 1.00 . A A . 4 ABA HA 1 1
1 51 1 1 4 ABA HB3 H 2.175 1.941 5.212 1.00 . A A . 4 ABA HB3 1 1
1 52 1 1 4 ABA HG1 H 1.211 4.041 5.791 1.00 . A A . 4 ABA HG1 1 1
1 53 1 1 4 ABA HG2 H 2.784 4.838 5.773 1.00 . A A . 4 ABA HG2 1 1
1 54 1 1 4 ABA HG3 H 2.407 3.658 7.029 1.00 . A A . 4 ABA HG3 1 1
1 55 1 1 4 ABA N N 1.714 4.069 3.276 1.00 . A A . 4 ABA N 1 1
1 56 1 1 4 ABA O O 4.268 4.479 2.162 1.00 . A A . 4 ABA O 1 1
1 57 1 1 5 LEU C C 7.271 4.277 3.022 1.00 . A A . 5 LEU C 1 1
1 58 1 1 5 LEU CA C 6.255 4.910 4.003 1.00 . A A . 5 LEU CA 1 1
1 59 1 1 5 LEU CB C 6.926 5.299 5.337 1.00 . A A . 5 LEU CB 1 1
1 60 1 1 5 LEU CD1 C 8.917 3.840 5.836 1.00 . A A . 5 LEU CD1 1 1
1 61 1 1 5 LEU CD2 C 7.373 4.521 7.678 1.00 . A A . 5 LEU CD2 1 1
1 62 1 1 5 LEU CG C 7.475 4.159 6.204 1.00 . A A . 5 LEU CG 1 1
1 63 1 1 5 LEU H H 4.877 3.743 5.126 1.00 . A A . 5 LEU H 1 1
1 64 1 1 5 LEU HA H 5.910 5.825 3.543 1.00 . A A . 5 LEU HA 1 1
1 65 1 1 5 LEU HB2 H 7.745 5.965 5.112 1.00 . A A . 5 LEU HB2 1 1
1 66 1 1 5 LEU HB3 H 6.201 5.843 5.924 1.00 . A A . 5 LEU HB3 1 1
1 67 1 1 5 LEU HD11 H 8.948 3.384 4.859 1.00 . A A . 5 LEU HD11 1 1
1 68 1 1 5 LEU HD12 H 9.333 3.162 6.566 1.00 . A A . 5 LEU HD12 1 1
1 69 1 1 5 LEU HD13 H 9.493 4.754 5.826 1.00 . A A . 5 LEU HD13 1 1
1 70 1 1 5 LEU HD21 H 6.933 3.700 8.222 1.00 . A A . 5 LEU HD21 1 1
1 71 1 1 5 LEU HD22 H 6.757 5.402 7.793 1.00 . A A . 5 LEU HD22 1 1
1 72 1 1 5 LEU HD23 H 8.361 4.721 8.066 1.00 . A A . 5 LEU HD23 1 1
1 73 1 1 5 LEU HG H 6.883 3.269 6.037 1.00 . A A . 5 LEU HG 1 1
1 74 1 1 5 LEU N N 5.053 4.103 4.229 1.00 . A A . 5 LEU N 1 1
1 75 1 1 5 LEU O O 7.936 5.017 2.291 1.00 . A A . 5 LEU O 1 1
1 76 1 1 6 PRO C C 8.115 2.516 0.613 1.00 . A A . 6 PRO C 1 1
1 77 1 1 6 PRO CA C 8.443 2.303 2.091 1.00 . A A . 6 PRO CA 1 1
1 78 1 1 6 PRO CB C 8.373 0.810 2.438 1.00 . A A . 6 PRO CB 1 1
1 79 1 1 6 PRO CD C 6.785 1.917 3.823 1.00 . A A . 6 PRO CD 1 1
1 80 1 1 6 PRO CG C 7.726 0.751 3.776 1.00 . A A . 6 PRO CG 1 1
1 81 1 1 6 PRO HA H 9.441 2.670 2.286 1.00 . A A . 6 PRO HA 1 1
1 82 1 1 6 PRO HB2 H 7.785 0.295 1.693 1.00 . A A . 6 PRO HB2 1 1
1 83 1 1 6 PRO HB3 H 9.371 0.397 2.463 1.00 . A A . 6 PRO HB3 1 1
1 84 1 1 6 PRO HD2 H 5.828 1.646 3.403 1.00 . A A . 6 PRO HD2 1 1
1 85 1 1 6 PRO HD3 H 6.668 2.271 4.838 1.00 . A A . 6 PRO HD3 1 1
1 86 1 1 6 PRO HG2 H 7.182 -0.177 3.880 1.00 . A A . 6 PRO HG2 1 1
1 87 1 1 6 PRO HG3 H 8.473 0.840 4.549 1.00 . A A . 6 PRO HG3 1 1
1 88 1 1 6 PRO N N 7.459 2.929 2.990 1.00 . A A . 6 PRO N 1 1
1 89 1 1 6 PRO O O 6.959 2.743 0.247 1.00 . A A . 6 PRO O 1 1
1 90 1 1 7 GLY C C 9.425 1.371 -2.434 1.00 . A A . 7 GLY C 1 1
1 91 1 1 7 GLY CA C 8.945 2.579 -1.659 1.00 . A A . 7 GLY CA 1 1
1 92 1 1 7 GLY H H 10.032 2.206 0.122 1.00 . A A . 7 GLY H 1 1
1 93 1 1 7 GLY HA2 H 7.894 2.729 -1.858 1.00 . A A . 7 GLY HA2 1 1
1 94 1 1 7 GLY HA3 H 9.492 3.449 -1.991 1.00 . A A . 7 GLY HA3 1 1
1 95 1 1 7 GLY N N 9.134 2.419 -0.230 1.00 . A A . 7 GLY N 1 1
1 96 1 1 7 GLY O O 10.615 1.242 -2.726 1.00 . A A . 7 GLY O 1 1
1 97 1 1 8 GLY C C 7.663 -1.632 -3.699 1.00 . A A . 8 GLY C 1 1
1 98 1 1 8 GLY CA C 8.862 -0.738 -3.461 1.00 . A A . 8 GLY CA 1 1
1 99 1 1 8 GLY H H 7.577 0.618 -2.470 1.00 . A A . 8 GLY H 1 1
1 100 1 1 8 GLY HA2 H 9.289 -0.461 -4.412 1.00 . A A . 8 GLY HA2 1 1
1 101 1 1 8 GLY HA3 H 9.598 -1.286 -2.891 1.00 . A A . 8 GLY HA3 1 1
1 102 1 1 8 GLY N N 8.508 0.467 -2.738 1.00 . A A . 8 GLY N 1 1
1 103 1 1 8 GLY O O 6.526 -1.156 -3.738 1.00 . A A . 8 GLY O 1 1
1 104 1 1 9 GLY C C 6.317 -4.410 -2.699 1.00 . A A . 9 GLY C 1 1
1 105 1 1 9 GLY CA C 6.830 -3.873 -4.016 1.00 . A A . 9 GLY CA 1 1
1 106 1 1 9 GLY H H 8.837 -3.253 -3.759 1.00 . A A . 9 GLY H 1 1
1 107 1 1 9 GLY HA2 H 6.022 -3.382 -4.538 1.00 . A A . 9 GLY HA2 1 1
1 108 1 1 9 GLY HA3 H 7.187 -4.698 -4.616 1.00 . A A . 9 GLY HA3 1 1
1 109 1 1 9 GLY N N 7.910 -2.928 -3.824 1.00 . A A . 9 GLY N 1 1
1 110 1 1 9 GLY O O 5.111 -4.558 -2.506 1.00 . A A . 9 GLY O 1 1
1 111 1 1 10 GLY C C 6.753 -3.829 0.509 1.00 . A A . 10 GLY C 1 1
1 112 1 1 10 GLY CA C 6.834 -5.012 -0.426 1.00 . A A . 10 GLY CA 1 1
1 113 1 1 10 GLY H H 8.165 -4.376 -1.942 1.00 . A A . 10 GLY H 1 1
1 114 1 1 10 GLY HA2 H 5.867 -5.489 -0.477 1.00 . A A . 10 GLY HA2 1 1
1 115 1 1 10 GLY HA3 H 7.560 -5.715 -0.043 1.00 . A A . 10 GLY HA3 1 1
1 116 1 1 10 GLY N N 7.226 -4.595 -1.755 1.00 . A A . 10 GLY N 1 1
1 117 1 1 10 GLY O O 7.763 -3.406 1.072 1.00 . A A . 10 GLY O 1 1
1 118 1 1 11 VAL C C 4.300 -2.054 2.297 1.00 . A A . 11 VAL C 1 1
1 119 1 1 11 VAL CA C 5.421 -1.961 1.292 1.00 . A A . 11 VAL CA 1 1
1 120 1 1 11 VAL CB C 5.145 -0.752 0.369 1.00 . A A . 11 VAL CB 1 1
1 121 1 1 11 VAL CG1 C 6.361 -0.443 -0.484 1.00 . A A . 11 VAL CG1 1 1
1 122 1 1 11 VAL CG2 C 3.925 -1.005 -0.508 1.00 . A A . 11 VAL CG2 1 1
1 123 1 1 11 VAL H H 4.850 -3.524 -0.008 1.00 . A A . 11 VAL H 1 1
1 124 1 1 11 VAL HA H 6.336 -1.765 1.834 1.00 . A A . 11 VAL HA 1 1
1 125 1 1 11 VAL HB H 4.940 0.111 0.993 1.00 . A A . 11 VAL HB 1 1
1 126 1 1 11 VAL HG11 H 6.712 0.555 -0.262 1.00 . A A . 11 VAL HG11 1 1
1 127 1 1 11 VAL HG12 H 6.094 -0.506 -1.529 1.00 . A A . 11 VAL HG12 1 1
1 128 1 1 11 VAL HG13 H 7.142 -1.156 -0.269 1.00 . A A . 11 VAL HG13 1 1
1 129 1 1 11 VAL HG21 H 3.899 -0.276 -1.305 1.00 . A A . 11 VAL HG21 1 1
1 130 1 1 11 VAL HG22 H 3.029 -0.917 0.089 1.00 . A A . 11 VAL HG22 1 1
1 131 1 1 11 VAL HG23 H 3.982 -1.998 -0.928 1.00 . A A . 11 VAL HG23 1 1
1 132 1 1 11 VAL N N 5.591 -3.194 0.542 1.00 . A A . 11 VAL N 1 1
1 133 1 1 11 VAL O O 3.390 -2.875 2.184 1.00 . A A . 11 VAL O 1 1
1 134 1 1 12 CYS C C 1.992 -0.584 3.485 1.00 . A A . 12 CYS C 1 1
1 135 1 1 12 CYS CA C 3.301 -0.920 4.185 1.00 . A A . 12 CYS CA 1 1
1 136 1 1 12 CYS CB C 3.756 0.207 5.104 1.00 . A A . 12 CYS CB 1 1
1 137 1 1 12 CYS H H 5.066 -0.463 3.172 1.00 . A A . 12 CYS H 1 1
1 138 1 1 12 CYS HA H 3.185 -1.828 4.757 1.00 . A A . 12 CYS HA 1 1
1 139 1 1 12 CYS HB2 H 4.350 -0.221 5.893 1.00 . A A . 12 CYS HB2 1 1
1 140 1 1 12 CYS HB3 H 4.385 0.875 4.531 1.00 . A A . 12 CYS HB3 1 1
1 141 1 1 12 CYS N N 4.342 -1.115 3.212 1.00 . A A . 12 CYS N 1 1
1 142 1 1 12 CYS O O 1.988 0.137 2.487 1.00 . A A . 12 CYS O 1 1
1 143 1 1 12 CYS SG S 2.441 1.191 5.845 1.00 . A A . 12 CYS SG 1 1
1 144 1 1 13 ABA C C -0.433 -1.712 1.958 1.00 . A A . 13 ABA C 1 1
1 145 1 1 13 ABA CA C -0.388 -0.997 3.296 1.00 . A A . 13 ABA CA 1 1
1 146 1 1 13 ABA CB C -1.571 -1.500 4.153 1.00 . A A . 13 ABA CB 1 1
1 147 1 1 13 ABA CG C -1.187 -1.592 5.622 1.00 . A A . 13 ABA CG 1 1
1 148 1 1 13 ABA H H 0.980 -1.810 4.696 1.00 . A A . 13 ABA H 1 1
1 149 1 1 13 ABA HA H -0.513 0.065 3.119 1.00 . A A . 13 ABA HA 1 1
1 150 1 1 13 ABA HB3 H -1.841 -2.489 3.810 1.00 . A A . 13 ABA HB3 1 1
1 151 1 1 13 ABA HG1 H -0.461 -0.825 5.854 1.00 . A A . 13 ABA HG1 1 1
1 152 1 1 13 ABA HG2 H -0.764 -2.563 5.823 1.00 . A A . 13 ABA HG2 1 1
1 153 1 1 13 ABA HG3 H -2.067 -1.449 6.232 1.00 . A A . 13 ABA HG3 1 1
1 154 1 1 13 ABA N N 0.902 -1.184 3.946 1.00 . A A . 13 ABA N 1 1
1 155 1 1 13 ABA O O -1.034 -1.217 1.013 1.00 . A A . 13 ABA O 1 1
1 156 1 1 14 LEU C C -1.082 -4.236 0.269 1.00 . A A . 14 LEU C 1 1
1 157 1 1 14 LEU CA C 0.266 -3.626 0.653 1.00 . A A . 14 LEU CA 1 1
1 158 1 1 14 LEU CB C 1.326 -4.716 0.801 1.00 . A A . 14 LEU CB 1 1
1 159 1 1 14 LEU CD1 C 1.800 -5.009 -1.638 1.00 . A A . 14 LEU CD1 1 1
1 160 1 1 14 LEU CD2 C 2.347 -6.841 -0.022 1.00 . A A . 14 LEU CD2 1 1
1 161 1 1 14 LEU CG C 1.393 -5.703 -0.348 1.00 . A A . 14 LEU CG 1 1
1 162 1 1 14 LEU H H 0.629 -3.239 2.682 1.00 . A A . 14 LEU H 1 1
1 163 1 1 14 LEU HA H 0.574 -2.946 -0.125 1.00 . A A . 14 LEU HA 1 1
1 164 1 1 14 LEU HB2 H 2.290 -4.239 0.900 1.00 . A A . 14 LEU HB2 1 1
1 165 1 1 14 LEU HB3 H 1.120 -5.266 1.707 1.00 . A A . 14 LEU HB3 1 1
1 166 1 1 14 LEU HD11 H 1.163 -4.153 -1.803 1.00 . A A . 14 LEU HD11 1 1
1 167 1 1 14 LEU HD12 H 1.698 -5.698 -2.462 1.00 . A A . 14 LEU HD12 1 1
1 168 1 1 14 LEU HD13 H 2.828 -4.686 -1.564 1.00 . A A . 14 LEU HD13 1 1
1 169 1 1 14 LEU HD21 H 2.489 -6.897 1.047 1.00 . A A . 14 LEU HD21 1 1
1 170 1 1 14 LEU HD22 H 3.297 -6.664 -0.505 1.00 . A A . 14 LEU HD22 1 1
1 171 1 1 14 LEU HD23 H 1.930 -7.771 -0.378 1.00 . A A . 14 LEU HD23 1 1
1 172 1 1 14 LEU HG H 0.410 -6.117 -0.486 1.00 . A A . 14 LEU HG 1 1
1 173 1 1 14 LEU N N 0.182 -2.880 1.887 1.00 . A A . 14 LEU N 1 1
1 174 1 1 14 LEU O O -1.423 -5.348 0.678 1.00 . A A . 14 LEU O 1 1
1 175 1 1 15 ABA C C -4.266 -3.151 -0.479 1.00 . A A . 15 ABA C 1 1
1 176 1 1 15 ABA CA C -3.114 -3.959 -1.053 1.00 . A A . 15 ABA CA 1 1
1 177 1 1 15 ABA CB C -3.147 -3.864 -2.598 1.00 . A A . 15 ABA CB 1 1
1 178 1 1 15 ABA CG C -2.289 -4.971 -3.185 1.00 . A A . 15 ABA CG 1 1
1 179 1 1 15 ABA H H -1.515 -2.600 -0.786 1.00 . A A . 15 ABA H 1 1
1 180 1 1 15 ABA HA H -3.233 -4.994 -0.772 1.00 . A A . 15 ABA HA 1 1
1 181 1 1 15 ABA HB3 H -4.164 -4.019 -2.924 1.00 . A A . 15 ABA HB3 1 1
1 182 1 1 15 ABA HG1 H -1.332 -4.990 -2.684 1.00 . A A . 15 ABA HG1 1 1
1 183 1 1 15 ABA HG2 H -2.139 -4.790 -4.240 1.00 . A A . 15 ABA HG2 1 1
1 184 1 1 15 ABA HG3 H -2.784 -5.920 -3.048 1.00 . A A . 15 ABA HG3 1 1
1 185 1 1 15 ABA N N -1.836 -3.492 -0.531 1.00 . A A . 15 ABA N 1 1
1 186 1 1 15 ABA O O -4.071 -2.022 -0.017 1.00 . A A . 15 ABA O 1 1
1 187 1 1 16 DHA C C -6.657 -2.469 1.166 1.00 . A A . 16 DHA C 1 1
1 188 1 1 16 DHA CA C -6.587 -3.055 -0.117 1.00 . A A . 16 DHA CA 1 1
1 189 1 1 16 DHA CB C -7.637 -2.954 -0.943 1.00 . A A . 16 DHA CB 1 1
1 190 1 1 16 DHA H H -5.505 -4.621 -0.951 1.00 . A A . 16 DHA H 1 1
1 191 1 1 16 DHA HB1 H -7.594 -3.397 -1.927 1.00 . A A . 16 DHA HB1 1 1
1 192 1 1 16 DHA HB2 H -8.527 -2.433 -0.624 1.00 . A A . 16 DHA HB2 1 1
1 193 1 1 16 DHA N N -5.468 -3.725 -0.542 1.00 . A A . 16 DHA N 1 1
1 194 1 1 16 DHA O O -7.403 -1.512 1.378 1.00 . A A . 16 DHA O 1 1
1 195 1 1 17 GLU C C -5.367 -1.021 3.462 1.00 . A A . 17 GLU C 1 1
1 196 1 1 17 GLU CA C -5.842 -2.473 3.451 1.00 . A A . 17 GLU CA 1 1
1 197 1 1 17 GLU CB C -4.928 -3.329 4.329 1.00 . A A . 17 GLU CB 1 1
1 198 1 1 17 GLU CD C -6.427 -3.467 6.357 1.00 . A A . 17 GLU CD 1 1
1 199 1 1 17 GLU CG C -5.071 -3.055 5.818 1.00 . A A . 17 GLU CG 1 1
1 200 1 1 17 GLU H H -5.301 -3.764 1.867 1.00 . A A . 17 GLU H 1 1
1 201 1 1 17 GLU HA H -6.845 -2.515 3.845 1.00 . A A . 17 GLU HA 1 1
1 202 1 1 17 GLU HB2 H -5.157 -4.370 4.155 1.00 . A A . 17 GLU HB2 1 1
1 203 1 1 17 GLU HB3 H -3.903 -3.144 4.047 1.00 . A A . 17 GLU HB3 1 1
1 204 1 1 17 GLU HG2 H -4.309 -3.608 6.348 1.00 . A A . 17 GLU HG2 1 1
1 205 1 1 17 GLU HG3 H -4.934 -1.998 5.994 1.00 . A A . 17 GLU HG3 1 1
1 206 1 1 17 GLU N N -5.872 -2.997 2.097 1.00 . A A . 17 GLU N 1 1
1 207 1 1 17 GLU O O -5.825 -0.215 4.275 1.00 . A A . 17 GLU O 1 1
1 208 1 1 17 GLU OE1 O -7.454 -2.931 5.888 1.00 . A A . 17 GLU OE1 1 1
1 209 1 1 17 GLU OE2 O -6.474 -4.331 7.258 1.00 . A A . 17 GLU OE2 1 1
1 210 1 1 18 CYS C C -3.883 1.157 0.986 1.00 . A A . 18 CYS C 1 1
1 211 1 1 18 CYS CA C -3.988 0.688 2.435 1.00 . A A . 18 CYS CA 1 1
1 212 1 1 18 CYS CB C -2.614 0.837 3.069 1.00 . A A . 18 CYS CB 1 1
1 213 1 1 18 CYS H H -4.182 -1.346 1.879 1.00 . A A . 18 CYS H 1 1
1 214 1 1 18 CYS HA H -4.684 1.326 2.958 1.00 . A A . 18 CYS HA 1 1
1 215 1 1 18 CYS HB2 H -1.897 0.431 2.380 1.00 . A A . 18 CYS HB2 1 1
1 216 1 1 18 CYS HB3 H -2.407 1.888 3.195 1.00 . A A . 18 CYS HB3 1 1
1 217 1 1 18 CYS N N -4.478 -0.678 2.534 1.00 . A A . 18 CYS N 1 1
1 218 1 1 18 CYS O O -4.681 1.981 0.539 1.00 . A A . 18 CYS O 1 1
1 219 1 1 18 CYS SG S -2.393 0.021 4.666 1.00 . A A . 18 CYS SG 1 1
1 220 1 1 19 ILE C C -3.433 1.096 -2.021 1.00 . A A . 19 ILE C 1 1
1 221 1 1 19 ILE CA C -2.402 1.406 -0.939 1.00 . A A . 19 ILE CA 1 1
1 222 1 1 19 ILE CB C -1.006 0.962 -1.434 1.00 . A A . 19 ILE CB 1 1
1 223 1 1 19 ILE CD1 C 0.323 -0.992 -2.394 1.00 . A A . 19 ILE CD1 1 1
1 224 1 1 19 ILE CG1 C -0.990 -0.525 -1.804 1.00 . A A . 19 ILE CG1 1 1
1 225 1 1 19 ILE CG2 C 0.056 1.269 -0.390 1.00 . A A . 19 ILE CG2 1 1
1 226 1 1 19 ILE H H -2.083 0.276 0.809 1.00 . A A . 19 ILE H 1 1
1 227 1 1 19 ILE HA H -2.363 2.466 -0.780 1.00 . A A . 19 ILE HA 1 1
1 228 1 1 19 ILE HB H -0.774 1.537 -2.310 1.00 . A A . 19 ILE HB 1 1
1 229 1 1 19 ILE HD11 H 0.702 -1.823 -1.819 1.00 . A A . 19 ILE HD11 1 1
1 230 1 1 19 ILE HD12 H 1.036 -0.180 -2.367 1.00 . A A . 19 ILE HD12 1 1
1 231 1 1 19 ILE HD13 H 0.170 -1.301 -3.418 1.00 . A A . 19 ILE HD13 1 1
1 232 1 1 19 ILE HG12 H -1.179 -1.110 -0.916 1.00 . A A . 19 ILE HG12 1 1
1 233 1 1 19 ILE HG13 H -1.767 -0.716 -2.528 1.00 . A A . 19 ILE HG13 1 1
1 234 1 1 19 ILE HG21 H -0.177 2.205 0.097 1.00 . A A . 19 ILE HG21 1 1
1 235 1 1 19 ILE HG22 H 1.021 1.341 -0.869 1.00 . A A . 19 ILE HG22 1 1
1 236 1 1 19 ILE HG23 H 0.077 0.478 0.344 1.00 . A A . 19 ILE HG23 1 1
1 237 1 1 19 ILE N N -2.758 0.814 0.341 1.00 . A A . 19 ILE N 1 1
1 238 1 1 19 ILE O O -3.640 1.888 -2.942 1.00 . A A . 19 ILE O 1 1
1 239 1 1 20 TEE CA C -4.972 -0.440 -2.862 1.00 . A A . 20 TEE CA 1 1
1 240 1 1 20 TEE CB C -5.035 -1.785 -3.274 1.00 . A A . 20 TEE CB 1 1
1 241 1 1 20 TEE HA H -5.278 -1.410 -2.497 1.00 . A A . 20 TEE HA 1 1
1 242 1 1 20 TEE HB2 H -5.316 -2.554 -2.569 1.00 . A A . 20 TEE HB2 1 1
1 243 1 1 20 TEE HN1 H -3.815 -0.634 -1.144 1.00 . A A . 20 TEE HN1 1 1
1 244 1 1 20 TEE N N -4.057 -0.070 -1.915 1.00 . A A . 20 TEE N 1 1
1 245 1 1 20 TEE SG S -4.358 -3.357 -3.844 1.00 . A A . 20 TEE SG 1 1
2 246 1 1 1 CYS C C 2.458 6.415 -1.909 1.00 . A A . 1 CYS C 1 1
2 247 1 1 1 CYS CA C 2.174 7.729 -1.187 1.00 . A A . 1 CYS CA 1 1
2 248 1 1 1 CYS CB C 1.385 8.677 -2.088 1.00 . A A . 1 CYS CB 1 1
2 249 1 1 1 CYS H1 H 3.922 7.790 -0.058 1.00 . A A . 1 CYS H1 1 1
2 250 1 1 1 CYS H2 H 3.220 9.308 -0.323 1.00 . A A . 1 CYS H2 1 1
2 251 1 1 1 CYS H3 H 4.057 8.529 -1.580 1.00 . A A . 1 CYS H3 1 1
2 252 1 1 1 CYS HA H 1.589 7.515 -0.303 1.00 . A A . 1 CYS HA 1 1
2 253 1 1 1 CYS HB2 H 1.131 9.564 -1.525 1.00 . A A . 1 CYS HB2 1 1
2 254 1 1 1 CYS HB3 H 2.000 8.957 -2.931 1.00 . A A . 1 CYS HB3 1 1
2 255 1 1 1 CYS N N 3.428 8.385 -0.758 1.00 . A A . 1 CYS N 1 1
2 256 1 1 1 CYS O O 3.496 6.272 -2.551 1.00 . A A . 1 CYS O 1 1
2 257 1 1 1 CYS SG S -0.136 7.949 -2.712 1.00 . A A . 1 CYS SG 1 1
2 258 1 1 2 ABA C C 0.618 5.550 0.526 1.00 . A A . 2 ABA C 1 1
2 259 1 1 2 ABA CA C 0.339 5.536 -0.980 1.00 . A A . 2 ABA CA 1 1
2 260 1 1 2 ABA CB C -0.489 6.783 -1.378 1.00 . A A . 2 ABA CB 1 1
2 261 1 1 2 ABA CG C -1.714 6.373 -2.182 1.00 . A A . 2 ABA CG 1 1
2 262 1 1 2 ABA H H 1.760 4.568 -2.217 1.00 . A A . 2 ABA H 1 1
2 263 1 1 2 ABA HA H -0.259 4.664 -1.199 1.00 . A A . 2 ABA HA 1 1
2 264 1 1 2 ABA HB3 H -0.828 7.268 -0.475 1.00 . A A . 2 ABA HB3 1 1
2 265 1 1 2 ABA HG1 H -1.401 5.877 -3.089 1.00 . A A . 2 ABA HG1 1 1
2 266 1 1 2 ABA HG2 H -2.291 7.250 -2.435 1.00 . A A . 2 ABA HG2 1 1
2 267 1 1 2 ABA HG3 H -2.321 5.700 -1.596 1.00 . A A . 2 ABA HG3 1 1
2 268 1 1 2 ABA N N 1.577 5.419 -1.762 1.00 . A A . 2 ABA N 1 1
2 269 1 1 2 ABA O O 1.702 5.941 0.967 1.00 . A A . 2 ABA O 1 1
2 270 1 1 3 PHE C C 0.918 3.922 3.088 1.00 . A A . 3 PHE C 1 1
2 271 1 1 3 PHE CA C -0.165 4.944 2.745 1.00 . A A . 3 PHE CA 1 1
2 272 1 1 3 PHE CB C -1.489 4.549 3.405 1.00 . A A . 3 PHE CB 1 1
2 273 1 1 3 PHE CD1 C -0.906 5.582 5.620 1.00 . A A . 3 PHE CD1 1 1
2 274 1 1 3 PHE CD2 C -1.914 3.424 5.609 1.00 . A A . 3 PHE CD2 1 1
2 275 1 1 3 PHE CE1 C -0.856 5.556 7.000 1.00 . A A . 3 PHE CE1 1 1
2 276 1 1 3 PHE CE2 C -1.867 3.391 6.989 1.00 . A A . 3 PHE CE2 1 1
2 277 1 1 3 PHE CG C -1.435 4.518 4.909 1.00 . A A . 3 PHE CG 1 1
2 278 1 1 3 PHE CZ C -1.338 4.459 7.686 1.00 . A A . 3 PHE CZ 1 1
2 279 1 1 3 PHE H H -1.157 4.700 0.889 1.00 . A A . 3 PHE H 1 1
2 280 1 1 3 PHE HA H 0.139 5.912 3.116 1.00 . A A . 3 PHE HA 1 1
2 281 1 1 3 PHE HB2 H -2.251 5.257 3.116 1.00 . A A . 3 PHE HB2 1 1
2 282 1 1 3 PHE HB3 H -1.772 3.564 3.062 1.00 . A A . 3 PHE HB3 1 1
2 283 1 1 3 PHE HD1 H -0.531 6.442 5.085 1.00 . A A . 3 PHE HD1 1 1
2 284 1 1 3 PHE HD2 H -2.328 2.588 5.065 1.00 . A A . 3 PHE HD2 1 1
2 285 1 1 3 PHE HE1 H -0.443 6.394 7.541 1.00 . A A . 3 PHE HE1 1 1
2 286 1 1 3 PHE HE2 H -2.243 2.531 7.523 1.00 . A A . 3 PHE HE2 1 1
2 287 1 1 3 PHE HZ H -1.299 4.435 8.764 1.00 . A A . 3 PHE HZ 1 1
2 288 1 1 3 PHE N N -0.332 5.051 1.303 1.00 . A A . 3 PHE N 1 1
2 289 1 1 3 PHE O O 0.709 2.719 2.947 1.00 . A A . 3 PHE O 1 1
2 290 1 1 4 ABA C C 4.518 4.283 3.654 1.00 . A A . 4 ABA C 1 1
2 291 1 1 4 ABA CA C 3.191 3.559 3.897 1.00 . A A . 4 ABA CA 1 1
2 292 1 1 4 ABA CB C 3.086 3.143 5.389 1.00 . A A . 4 ABA CB 1 1
2 293 1 1 4 ABA CG C 2.775 4.344 6.269 1.00 . A A . 4 ABA CG 1 1
2 294 1 1 4 ABA H H 2.180 5.392 3.584 1.00 . A A . 4 ABA H 1 1
2 295 1 1 4 ABA HA H 3.164 2.658 3.279 1.00 . A A . 4 ABA HA 1 1
2 296 1 1 4 ABA HB3 H 4.042 2.744 5.695 1.00 . A A . 4 ABA HB3 1 1
2 297 1 1 4 ABA HG1 H 2.020 4.955 5.793 1.00 . A A . 4 ABA HG1 1 1
2 298 1 1 4 ABA HG2 H 3.672 4.927 6.410 1.00 . A A . 4 ABA HG2 1 1
2 299 1 1 4 ABA HG3 H 2.411 4.005 7.229 1.00 . A A . 4 ABA HG3 1 1
2 300 1 1 4 ABA N N 2.073 4.413 3.516 1.00 . A A . 4 ABA N 1 1
2 301 1 1 4 ABA O O 4.529 5.485 3.386 1.00 . A A . 4 ABA O 1 1
2 302 1 1 5 LEU C C 8.031 2.985 3.219 1.00 . A A . 5 LEU C 1 1
2 303 1 1 5 LEU CA C 6.931 4.069 3.305 1.00 . A A . 5 LEU CA 1 1
2 304 1 1 5 LEU CB C 7.334 5.184 4.296 1.00 . A A . 5 LEU CB 1 1
2 305 1 1 5 LEU CD1 C 8.750 4.389 6.217 1.00 . A A . 5 LEU CD1 1 1
2 306 1 1 5 LEU CD2 C 6.864 5.981 6.623 1.00 . A A . 5 LEU CD2 1 1
2 307 1 1 5 LEU CG C 7.354 4.813 5.783 1.00 . A A . 5 LEU CG 1 1
2 308 1 1 5 LEU H H 5.514 2.555 3.717 1.00 . A A . 5 LEU H 1 1
2 309 1 1 5 LEU HA H 6.845 4.517 2.327 1.00 . A A . 5 LEU HA 1 1
2 310 1 1 5 LEU HB2 H 8.322 5.525 4.028 1.00 . A A . 5 LEU HB2 1 1
2 311 1 1 5 LEU HB3 H 6.646 6.006 4.167 1.00 . A A . 5 LEU HB3 1 1
2 312 1 1 5 LEU HD11 H 8.929 4.718 7.229 1.00 . A A . 5 LEU HD11 1 1
2 313 1 1 5 LEU HD12 H 9.483 4.834 5.560 1.00 . A A . 5 LEU HD12 1 1
2 314 1 1 5 LEU HD13 H 8.831 3.314 6.169 1.00 . A A . 5 LEU HD13 1 1
2 315 1 1 5 LEU HD21 H 7.187 6.910 6.174 1.00 . A A . 5 LEU HD21 1 1
2 316 1 1 5 LEU HD22 H 7.273 5.903 7.620 1.00 . A A . 5 LEU HD22 1 1
2 317 1 1 5 LEU HD23 H 5.784 5.961 6.673 1.00 . A A . 5 LEU HD23 1 1
2 318 1 1 5 LEU HG H 6.687 3.980 5.947 1.00 . A A . 5 LEU HG 1 1
2 319 1 1 5 LEU N N 5.610 3.525 3.620 1.00 . A A . 5 LEU N 1 1
2 320 1 1 5 LEU O O 8.947 3.128 2.410 1.00 . A A . 5 LEU O 1 1
2 321 1 1 6 PRO C C 8.672 -0.312 3.134 1.00 . A A . 6 PRO C 1 1
2 322 1 1 6 PRO CA C 9.049 0.883 4.004 1.00 . A A . 6 PRO CA 1 1
2 323 1 1 6 PRO CB C 9.138 0.479 5.475 1.00 . A A . 6 PRO CB 1 1
2 324 1 1 6 PRO CD C 7.015 1.572 5.083 1.00 . A A . 6 PRO CD 1 1
2 325 1 1 6 PRO CG C 7.740 0.603 5.989 1.00 . A A . 6 PRO CG 1 1
2 326 1 1 6 PRO HA H 9.995 1.284 3.679 1.00 . A A . 6 PRO HA 1 1
2 327 1 1 6 PRO HB2 H 9.497 -0.536 5.554 1.00 . A A . 6 PRO HB2 1 1
2 328 1 1 6 PRO HB3 H 9.809 1.145 5.996 1.00 . A A . 6 PRO HB3 1 1
2 329 1 1 6 PRO HD2 H 6.145 1.102 4.651 1.00 . A A . 6 PRO HD2 1 1
2 330 1 1 6 PRO HD3 H 6.730 2.457 5.629 1.00 . A A . 6 PRO HD3 1 1
2 331 1 1 6 PRO HG2 H 7.257 -0.362 5.963 1.00 . A A . 6 PRO HG2 1 1
2 332 1 1 6 PRO HG3 H 7.757 0.983 7.000 1.00 . A A . 6 PRO HG3 1 1
2 333 1 1 6 PRO N N 8.004 1.898 4.038 1.00 . A A . 6 PRO N 1 1
2 334 1 1 6 PRO O O 7.789 -0.219 2.276 1.00 . A A . 6 PRO O 1 1
2 335 1 1 7 GLY C C 8.440 -3.708 3.446 1.00 . A A . 7 GLY C 1 1
2 336 1 1 7 GLY CA C 9.059 -2.623 2.595 1.00 . A A . 7 GLY CA 1 1
2 337 1 1 7 GLY H H 10.049 -1.448 4.043 1.00 . A A . 7 GLY H 1 1
2 338 1 1 7 GLY HA2 H 8.379 -2.373 1.793 1.00 . A A . 7 GLY HA2 1 1
2 339 1 1 7 GLY HA3 H 9.980 -2.994 2.172 1.00 . A A . 7 GLY HA3 1 1
2 340 1 1 7 GLY N N 9.341 -1.432 3.359 1.00 . A A . 7 GLY N 1 1
2 341 1 1 7 GLY O O 7.217 -3.815 3.532 1.00 . A A . 7 GLY O 1 1
2 342 1 1 8 GLY C C 8.069 -6.636 4.049 1.00 . A A . 8 GLY C 1 1
2 343 1 1 8 GLY CA C 8.803 -5.614 4.890 1.00 . A A . 8 GLY CA 1 1
2 344 1 1 8 GLY H H 10.250 -4.369 3.969 1.00 . A A . 8 GLY H 1 1
2 345 1 1 8 GLY HA2 H 9.643 -6.090 5.377 1.00 . A A . 8 GLY HA2 1 1
2 346 1 1 8 GLY HA3 H 8.130 -5.230 5.643 1.00 . A A . 8 GLY HA3 1 1
2 347 1 1 8 GLY N N 9.286 -4.510 4.080 1.00 . A A . 8 GLY N 1 1
2 348 1 1 8 GLY O O 6.991 -7.106 4.420 1.00 . A A . 8 GLY O 1 1
2 349 1 1 9 GLY C C 7.650 -6.915 0.594 1.00 . A A . 9 GLY C 1 1
2 350 1 1 9 GLY CA C 7.889 -7.674 1.878 1.00 . A A . 9 GLY CA 1 1
2 351 1 1 9 GLY H H 9.371 -6.344 2.569 1.00 . A A . 9 GLY H 1 1
2 352 1 1 9 GLY HA2 H 8.484 -8.547 1.667 1.00 . A A . 9 GLY HA2 1 1
2 353 1 1 9 GLY HA3 H 6.939 -7.983 2.286 1.00 . A A . 9 GLY HA3 1 1
2 354 1 1 9 GLY N N 8.576 -6.848 2.845 1.00 . A A . 9 GLY N 1 1
2 355 1 1 9 GLY O O 8.458 -6.978 -0.336 1.00 . A A . 9 GLY O 1 1
2 356 1 1 10 GLY C C 6.410 -3.747 -0.038 1.00 . A A . 10 GLY C 1 1
2 357 1 1 10 GLY CA C 6.388 -5.188 -0.499 1.00 . A A . 10 GLY CA 1 1
2 358 1 1 10 GLY H H 6.099 -5.986 1.429 1.00 . A A . 10 GLY H 1 1
2 359 1 1 10 GLY HA2 H 7.155 -5.332 -1.246 1.00 . A A . 10 GLY HA2 1 1
2 360 1 1 10 GLY HA3 H 5.422 -5.406 -0.931 1.00 . A A . 10 GLY HA3 1 1
2 361 1 1 10 GLY N N 6.629 -6.083 0.606 1.00 . A A . 10 GLY N 1 1
2 362 1 1 10 GLY O O 7.432 -3.065 -0.155 1.00 . A A . 10 GLY O 1 1
2 363 1 1 11 VAL C C 4.306 -2.049 2.404 1.00 . A A . 11 VAL C 1 1
2 364 1 1 11 VAL CA C 5.213 -2.008 1.203 1.00 . A A . 11 VAL CA 1 1
2 365 1 1 11 VAL CB C 4.644 -0.933 0.240 1.00 . A A . 11 VAL CB 1 1
2 366 1 1 11 VAL CG1 C 5.655 -0.548 -0.824 1.00 . A A . 11 VAL CG1 1 1
2 367 1 1 11 VAL CG2 C 3.353 -1.417 -0.404 1.00 . A A . 11 VAL CG2 1 1
2 368 1 1 11 VAL H H 4.599 -3.980 0.756 1.00 . A A . 11 VAL H 1 1
2 369 1 1 11 VAL HA H 6.195 -1.691 1.532 1.00 . A A . 11 VAL HA 1 1
2 370 1 1 11 VAL HB H 4.411 -0.040 0.828 1.00 . A A . 11 VAL HB 1 1
2 371 1 1 11 VAL HG11 H 6.573 -0.226 -0.350 1.00 . A A . 11 VAL HG11 1 1
2 372 1 1 11 VAL HG12 H 5.259 0.258 -1.425 1.00 . A A . 11 VAL HG12 1 1
2 373 1 1 11 VAL HG13 H 5.855 -1.402 -1.455 1.00 . A A . 11 VAL HG13 1 1
2 374 1 1 11 VAL HG21 H 2.526 -0.821 -0.047 1.00 . A A . 11 VAL HG21 1 1
2 375 1 1 11 VAL HG22 H 3.188 -2.453 -0.146 1.00 . A A . 11 VAL HG22 1 1
2 376 1 1 11 VAL HG23 H 3.430 -1.320 -1.477 1.00 . A A . 11 VAL HG23 1 1
2 377 1 1 11 VAL N N 5.321 -3.333 0.598 1.00 . A A . 11 VAL N 1 1
2 378 1 1 11 VAL O O 3.534 -2.989 2.597 1.00 . A A . 11 VAL O 1 1
2 379 1 1 12 CYS C C 1.949 -0.432 3.426 1.00 . A A . 12 CYS C 1 1
2 380 1 1 12 CYS CA C 3.299 -0.670 4.089 1.00 . A A . 12 CYS CA 1 1
2 381 1 1 12 CYS CB C 3.774 0.556 4.847 1.00 . A A . 12 CYS CB 1 1
2 382 1 1 12 CYS H H 4.807 -0.174 2.738 1.00 . A A . 12 CYS H 1 1
2 383 1 1 12 CYS HA H 3.243 -1.518 4.753 1.00 . A A . 12 CYS HA 1 1
2 384 1 1 12 CYS HB2 H 4.524 0.242 5.552 1.00 . A A . 12 CYS HB2 1 1
2 385 1 1 12 CYS HB3 H 4.235 1.230 4.139 1.00 . A A . 12 CYS HB3 1 1
2 386 1 1 12 CYS N N 4.271 -0.929 3.069 1.00 . A A . 12 CYS N 1 1
2 387 1 1 12 CYS O O 1.882 0.231 2.388 1.00 . A A . 12 CYS O 1 1
2 388 1 1 12 CYS SG S 2.506 1.469 5.733 1.00 . A A . 12 CYS SG 1 1
2 389 1 1 13 ABA C C -0.411 -1.686 1.957 1.00 . A A . 13 ABA C 1 1
2 390 1 1 13 ABA CA C -0.399 -0.967 3.300 1.00 . A A . 13 ABA CA 1 1
2 391 1 1 13 ABA CB C -1.531 -1.543 4.177 1.00 . A A . 13 ABA CB 1 1
2 392 1 1 13 ABA CG C -1.341 -1.147 5.634 1.00 . A A . 13 ABA CG 1 1
2 393 1 1 13 ABA H H 1.033 -1.689 4.689 1.00 . A A . 13 ABA H 1 1
2 394 1 1 13 ABA HA H -0.593 0.086 3.128 1.00 . A A . 13 ABA HA 1 1
2 395 1 1 13 ABA HB3 H -1.491 -2.621 4.109 1.00 . A A . 13 ABA HB3 1 1
2 396 1 1 13 ABA HG1 H -1.056 -0.107 5.691 1.00 . A A . 13 ABA HG1 1 1
2 397 1 1 13 ABA HG2 H -0.568 -1.756 6.076 1.00 . A A . 13 ABA HG2 1 1
2 398 1 1 13 ABA HG3 H -2.267 -1.297 6.170 1.00 . A A . 13 ABA HG3 1 1
2 399 1 1 13 ABA N N 0.906 -1.072 3.930 1.00 . A A . 13 ABA N 1 1
2 400 1 1 13 ABA O O -0.996 -1.201 0.993 1.00 . A A . 13 ABA O 1 1
2 401 1 1 14 LEU C C -0.987 -4.265 0.323 1.00 . A A . 14 LEU C 1 1
2 402 1 1 14 LEU CA C 0.341 -3.589 0.668 1.00 . A A . 14 LEU CA 1 1
2 403 1 1 14 LEU CB C 1.454 -4.627 0.806 1.00 . A A . 14 LEU CB 1 1
2 404 1 1 14 LEU CD1 C 1.915 -5.015 -1.625 1.00 . A A . 14 LEU CD1 1 1
2 405 1 1 14 LEU CD2 C 2.467 -6.788 0.050 1.00 . A A . 14 LEU CD2 1 1
2 406 1 1 14 LEU CG C 1.513 -5.660 -0.309 1.00 . A A . 14 LEU CG 1 1
2 407 1 1 14 LEU H H 0.693 -3.179 2.693 1.00 . A A . 14 LEU H 1 1
2 408 1 1 14 LEU HA H 0.600 -2.901 -0.123 1.00 . A A . 14 LEU HA 1 1
2 409 1 1 14 LEU HB2 H 2.400 -4.107 0.839 1.00 . A A . 14 LEU HB2 1 1
2 410 1 1 14 LEU HB3 H 1.316 -5.148 1.743 1.00 . A A . 14 LEU HB3 1 1
2 411 1 1 14 LEU HD11 H 2.925 -4.645 -1.549 1.00 . A A . 14 LEU HD11 1 1
2 412 1 1 14 LEU HD12 H 1.246 -4.196 -1.841 1.00 . A A . 14 LEU HD12 1 1
2 413 1 1 14 LEU HD13 H 1.857 -5.747 -2.417 1.00 . A A . 14 LEU HD13 1 1
2 414 1 1 14 LEU HD21 H 2.912 -7.186 -0.850 1.00 . A A . 14 LEU HD21 1 1
2 415 1 1 14 LEU HD22 H 1.925 -7.569 0.560 1.00 . A A . 14 LEU HD22 1 1
2 416 1 1 14 LEU HD23 H 3.245 -6.409 0.697 1.00 . A A . 14 LEU HD23 1 1
2 417 1 1 14 LEU HG H 0.528 -6.079 -0.426 1.00 . A A . 14 LEU HG 1 1
2 418 1 1 14 LEU N N 0.244 -2.834 1.895 1.00 . A A . 14 LEU N 1 1
2 419 1 1 14 LEU O O -1.271 -5.372 0.777 1.00 . A A . 14 LEU O 1 1
2 420 1 1 15 ABA C C -4.236 -3.250 -0.473 1.00 . A A . 15 ABA C 1 1
2 421 1 1 15 ABA CA C -3.078 -4.133 -0.906 1.00 . A A . 15 ABA CA 1 1
2 422 1 1 15 ABA CB C -3.106 -4.321 -2.439 1.00 . A A . 15 ABA CB 1 1
2 423 1 1 15 ABA CG C -2.440 -5.641 -2.786 1.00 . A A . 15 ABA CG 1 1
2 424 1 1 15 ABA H H -1.550 -2.677 -0.747 1.00 . A A . 15 ABA H 1 1
2 425 1 1 15 ABA HA H -3.193 -5.104 -0.446 1.00 . A A . 15 ABA HA 1 1
2 426 1 1 15 ABA HB3 H -4.137 -4.370 -2.756 1.00 . A A . 15 ABA HB3 1 1
2 427 1 1 15 ABA HG1 H -3.113 -6.241 -3.380 1.00 . A A . 15 ABA HG1 1 1
2 428 1 1 15 ABA HG2 H -2.192 -6.170 -1.879 1.00 . A A . 15 ABA HG2 1 1
2 429 1 1 15 ABA HG3 H -1.539 -5.450 -3.348 1.00 . A A . 15 ABA HG3 1 1
2 430 1 1 15 ABA N N -1.803 -3.582 -0.466 1.00 . A A . 15 ABA N 1 1
2 431 1 1 15 ABA O O -4.020 -2.155 0.052 1.00 . A A . 15 ABA O 1 1
2 432 1 1 16 DHA C C -6.730 -2.511 1.000 1.00 . A A . 16 DHA C 1 1
2 433 1 1 16 DHA CA C -6.578 -3.044 -0.302 1.00 . A A . 16 DHA CA 1 1
2 434 1 1 16 DHA CB C -7.547 -2.858 -1.206 1.00 . A A . 16 DHA CB 1 1
2 435 1 1 16 DHA H H -5.497 -4.661 -1.051 1.00 . A A . 16 DHA H 1 1
2 436 1 1 16 DHA HB1 H -7.443 -3.262 -2.202 1.00 . A A . 16 DHA HB1 1 1
2 437 1 1 16 DHA HB2 H -8.433 -2.300 -0.939 1.00 . A A . 16 DHA HB2 1 1
2 438 1 1 16 DHA N N -5.456 -3.759 -0.657 1.00 . A A . 16 DHA N 1 1
2 439 1 1 16 DHA O O -7.471 -1.549 1.204 1.00 . A A . 16 DHA O 1 1
2 440 1 1 17 GLU C C -5.564 -1.152 3.405 1.00 . A A . 17 GLU C 1 1
2 441 1 1 17 GLU CA C -6.016 -2.609 3.327 1.00 . A A . 17 GLU CA 1 1
2 442 1 1 17 GLU CB C -5.098 -3.480 4.190 1.00 . A A . 17 GLU CB 1 1
2 443 1 1 17 GLU CD C -6.513 -3.534 6.293 1.00 . A A . 17 GLU CD 1 1
2 444 1 1 17 GLU CG C -5.173 -3.172 5.678 1.00 . A A . 17 GLU CG 1 1
2 445 1 1 17 GLU H H -5.426 -3.846 1.717 1.00 . A A . 17 GLU H 1 1
2 446 1 1 17 GLU HA H -7.027 -2.684 3.698 1.00 . A A . 17 GLU HA 1 1
2 447 1 1 17 GLU HB2 H -5.365 -4.515 4.045 1.00 . A A . 17 GLU HB2 1 1
2 448 1 1 17 GLU HB3 H -4.078 -3.334 3.866 1.00 . A A . 17 GLU HB3 1 1
2 449 1 1 17 GLU HG2 H -4.401 -3.729 6.187 1.00 . A A . 17 GLU HG2 1 1
2 450 1 1 17 GLU HG3 H -5.004 -2.114 5.822 1.00 . A A . 17 GLU HG3 1 1
2 451 1 1 17 GLU N N -6.002 -3.082 1.952 1.00 . A A . 17 GLU N 1 1
2 452 1 1 17 GLU O O -6.015 -0.398 4.266 1.00 . A A . 17 GLU O 1 1
2 453 1 1 17 GLU OE1 O -7.372 -4.083 5.571 1.00 . A A . 17 GLU OE1 1 1
2 454 1 1 17 GLU OE2 O -6.727 -3.250 7.490 1.00 . A A . 17 GLU OE2 1 1
2 455 1 1 18 CYS C C -4.000 1.125 1.057 1.00 . A A . 18 CYS C 1 1
2 456 1 1 18 CYS CA C -4.174 0.605 2.480 1.00 . A A . 18 CYS CA 1 1
2 457 1 1 18 CYS CB C -2.816 0.686 3.157 1.00 . A A . 18 CYS CB 1 1
2 458 1 1 18 CYS H H -4.373 -1.394 1.814 1.00 . A A . 18 CYS H 1 1
2 459 1 1 18 CYS HA H -4.874 1.235 3.009 1.00 . A A . 18 CYS HA 1 1
2 460 1 1 18 CYS HB2 H -2.091 0.301 2.463 1.00 . A A . 18 CYS HB2 1 1
2 461 1 1 18 CYS HB3 H -2.588 1.722 3.348 1.00 . A A . 18 CYS HB3 1 1
2 462 1 1 18 CYS N N -4.679 -0.758 2.496 1.00 . A A . 18 CYS N 1 1
2 463 1 1 18 CYS O O -4.744 1.996 0.602 1.00 . A A . 18 CYS O 1 1
2 464 1 1 18 CYS SG S -2.649 -0.229 4.703 1.00 . A A . 18 CYS SG 1 1
2 465 1 1 19 ILE C C -3.301 0.912 -1.951 1.00 . A A . 19 ILE C 1 1
2 466 1 1 19 ILE CA C -2.415 1.357 -0.784 1.00 . A A . 19 ILE CA 1 1
2 467 1 1 19 ILE CB C -0.918 1.021 -1.062 1.00 . A A . 19 ILE CB 1 1
2 468 1 1 19 ILE CD1 C -0.610 2.603 -3.033 1.00 . A A . 19 ILE CD1 1 1
2 469 1 1 19 ILE CG1 C -0.179 2.231 -1.638 1.00 . A A . 19 ILE CG1 1 1
2 470 1 1 19 ILE CG2 C -0.756 -0.185 -1.984 1.00 . A A . 19 ILE CG2 1 1
2 471 1 1 19 ILE H H -2.229 0.195 0.960 1.00 . A A . 19 ILE H 1 1
2 472 1 1 19 ILE HA H -2.495 2.422 -0.667 1.00 . A A . 19 ILE HA 1 1
2 473 1 1 19 ILE HB H -0.464 0.767 -0.123 1.00 . A A . 19 ILE HB 1 1
2 474 1 1 19 ILE HD11 H -1.102 3.564 -3.013 1.00 . A A . 19 ILE HD11 1 1
2 475 1 1 19 ILE HD12 H -1.294 1.855 -3.399 1.00 . A A . 19 ILE HD12 1 1
2 476 1 1 19 ILE HD13 H 0.254 2.651 -3.678 1.00 . A A . 19 ILE HD13 1 1
2 477 1 1 19 ILE HG12 H -0.352 3.084 -1.001 1.00 . A A . 19 ILE HG12 1 1
2 478 1 1 19 ILE HG13 H 0.880 2.017 -1.663 1.00 . A A . 19 ILE HG13 1 1
2 479 1 1 19 ILE HG21 H 0.288 -0.448 -2.052 1.00 . A A . 19 ILE HG21 1 1
2 480 1 1 19 ILE HG22 H -1.131 0.060 -2.968 1.00 . A A . 19 ILE HG22 1 1
2 481 1 1 19 ILE HG23 H -1.313 -1.020 -1.584 1.00 . A A . 19 ILE HG23 1 1
2 482 1 1 19 ILE N N -2.858 0.766 0.466 1.00 . A A . 19 ILE N 1 1
2 483 1 1 19 ILE O O -3.513 1.657 -2.909 1.00 . A A . 19 ILE O 1 1
2 484 1 1 20 TEE CA C -4.581 -0.804 -2.866 1.00 . A A . 20 TEE CA 1 1
2 485 1 1 20 TEE CB C -4.084 -1.875 -3.631 1.00 . A A . 20 TEE CB 1 1
2 486 1 1 20 TEE HA H -4.818 -1.669 -2.266 1.00 . A A . 20 TEE HA 1 1
2 487 1 1 20 TEE HB2 H -3.264 -1.718 -4.315 1.00 . A A . 20 TEE HB2 1 1
2 488 1 1 20 TEE HN1 H -3.606 -0.808 -1.034 1.00 . A A . 20 TEE HN1 1 1
2 489 1 1 20 TEE N N -3.817 -0.304 -1.852 1.00 . A A . 20 TEE N 1 1
2 490 1 1 20 TEE SG S -2.824 -3.157 -3.793 1.00 . A A . 20 TEE SG 1 1
3 491 1 1 1 CYS C C 1.917 6.703 -1.626 1.00 . A A . 1 CYS C 1 1
3 492 1 1 1 CYS CA C 1.905 7.916 -0.704 1.00 . A A . 1 CYS CA 1 1
3 493 1 1 1 CYS CB C 1.237 9.104 -1.392 1.00 . A A . 1 CYS CB 1 1
3 494 1 1 1 CYS H1 H 3.335 9.314 -0.133 1.00 . A A . 1 CYS H1 1 1
3 495 1 1 1 CYS H2 H 3.948 8.037 -1.065 1.00 . A A . 1 CYS H2 1 1
3 496 1 1 1 CYS H3 H 3.547 7.782 0.563 1.00 . A A . 1 CYS H3 1 1
3 497 1 1 1 CYS HA H 1.351 7.668 0.188 1.00 . A A . 1 CYS HA 1 1
3 498 1 1 1 CYS HB2 H 1.180 9.928 -0.696 1.00 . A A . 1 CYS HB2 1 1
3 499 1 1 1 CYS HB3 H 1.834 9.401 -2.244 1.00 . A A . 1 CYS HB3 1 1
3 500 1 1 1 CYS N N 3.277 8.289 -0.308 1.00 . A A . 1 CYS N 1 1
3 501 1 1 1 CYS O O 2.868 6.516 -2.382 1.00 . A A . 1 CYS O 1 1
3 502 1 1 1 CYS SG S -0.425 8.730 -1.969 1.00 . A A . 1 CYS SG 1 1
3 503 1 1 2 ABA C C 0.097 5.747 0.797 1.00 . A A . 2 ABA C 1 1
3 504 1 1 2 ABA CA C -0.264 6.035 -0.660 1.00 . A A . 2 ABA CA 1 1
3 505 1 1 2 ABA CB C -0.880 7.454 -0.774 1.00 . A A . 2 ABA CB 1 1
3 506 1 1 2 ABA CG C -2.168 7.416 -1.581 1.00 . A A . 2 ABA CG 1 1
3 507 1 1 2 ABA H H 0.889 5.072 -2.147 1.00 . A A . 2 ABA H 1 1
3 508 1 1 2 ABA HA H -1.018 5.324 -0.958 1.00 . A A . 2 ABA HA 1 1
3 509 1 1 2 ABA HB3 H -1.115 7.805 0.219 1.00 . A A . 2 ABA HB3 1 1
3 510 1 1 2 ABA HG1 H -2.751 6.556 -1.288 1.00 . A A . 2 ABA HG1 1 1
3 511 1 1 2 ABA HG2 H -1.933 7.347 -2.634 1.00 . A A . 2 ABA HG2 1 1
3 512 1 1 2 ABA HG3 H -2.735 8.316 -1.398 1.00 . A A . 2 ABA HG3 1 1
3 513 1 1 2 ABA N N 0.883 5.855 -1.559 1.00 . A A . 2 ABA N 1 1
3 514 1 1 2 ABA O O 1.229 5.965 1.230 1.00 . A A . 2 ABA O 1 1
3 515 1 1 3 PHE C C 0.290 3.646 3.026 1.00 . A A . 3 PHE C 1 1
3 516 1 1 3 PHE CA C -0.644 4.849 2.922 1.00 . A A . 3 PHE CA 1 1
3 517 1 1 3 PHE CB C -1.972 4.554 3.621 1.00 . A A . 3 PHE CB 1 1
3 518 1 1 3 PHE CD1 C -1.073 5.233 5.864 1.00 . A A . 3 PHE CD1 1 1
3 519 1 1 3 PHE CD2 C -2.471 3.305 5.741 1.00 . A A . 3 PHE CD2 1 1
3 520 1 1 3 PHE CE1 C -0.950 5.058 7.229 1.00 . A A . 3 PHE CE1 1 1
3 521 1 1 3 PHE CE2 C -2.352 3.126 7.106 1.00 . A A . 3 PHE CE2 1 1
3 522 1 1 3 PHE CG C -1.834 4.361 5.106 1.00 . A A . 3 PHE CG 1 1
3 523 1 1 3 PHE CZ C -1.567 4.003 7.849 1.00 . A A . 3 PHE CZ 1 1
3 524 1 1 3 PHE H H -1.730 5.005 1.114 1.00 . A A . 3 PHE H 1 1
3 525 1 1 3 PHE HA H -0.174 5.691 3.409 1.00 . A A . 3 PHE HA 1 1
3 526 1 1 3 PHE HB2 H -2.650 5.379 3.453 1.00 . A A . 3 PHE HB2 1 1
3 527 1 1 3 PHE HB3 H -2.399 3.653 3.205 1.00 . A A . 3 PHE HB3 1 1
3 528 1 1 3 PHE HD1 H -0.571 6.059 5.381 1.00 . A A . 3 PHE HD1 1 1
3 529 1 1 3 PHE HD2 H -3.066 2.617 5.157 1.00 . A A . 3 PHE HD2 1 1
3 530 1 1 3 PHE HE1 H -0.354 5.747 7.811 1.00 . A A . 3 PHE HE1 1 1
3 531 1 1 3 PHE HE2 H -2.855 2.302 7.588 1.00 . A A . 3 PHE HE2 1 1
3 532 1 1 3 PHE HZ H -1.464 3.863 8.915 1.00 . A A . 3 PHE HZ 1 1
3 533 1 1 3 PHE N N -0.862 5.208 1.532 1.00 . A A . 3 PHE N 1 1
3 534 1 1 3 PHE O O -0.046 2.543 2.595 1.00 . A A . 3 PHE O 1 1
3 535 1 1 4 ABA C C 3.855 3.424 3.179 1.00 . A A . 4 ABA C 1 1
3 536 1 1 4 ABA CA C 2.513 2.873 3.669 1.00 . A A . 4 ABA CA 1 1
3 537 1 1 4 ABA CB C 2.652 2.384 5.135 1.00 . A A . 4 ABA CB 1 1
3 538 1 1 4 ABA CG C 1.293 2.135 5.774 1.00 . A A . 4 ABA CG 1 1
3 539 1 1 4 ABA H H 1.709 4.827 3.768 1.00 . A A . 4 ABA H 1 1
3 540 1 1 4 ABA HA H 2.235 2.031 3.048 1.00 . A A . 4 ABA HA 1 1
3 541 1 1 4 ABA HB3 H 3.193 1.455 5.131 1.00 . A A . 4 ABA HB3 1 1
3 542 1 1 4 ABA HG1 H 0.890 1.201 5.410 1.00 . A A . 4 ABA HG1 1 1
3 543 1 1 4 ABA HG2 H 0.622 2.943 5.517 1.00 . A A . 4 ABA HG2 1 1
3 544 1 1 4 ABA HG3 H 1.406 2.086 6.846 1.00 . A A . 4 ABA HG3 1 1
3 545 1 1 4 ABA N N 1.485 3.897 3.535 1.00 . A A . 4 ABA N 1 1
3 546 1 1 4 ABA O O 3.890 4.245 2.260 1.00 . A A . 4 ABA O 1 1
3 547 1 1 5 LEU C C 7.349 2.556 3.369 1.00 . A A . 5 LEU C 1 1
3 548 1 1 5 LEU CA C 6.258 3.632 3.523 1.00 . A A . 5 LEU CA 1 1
3 549 1 1 5 LEU CB C 6.706 4.664 4.577 1.00 . A A . 5 LEU CB 1 1
3 550 1 1 5 LEU CD1 C 4.668 5.499 5.802 1.00 . A A . 5 LEU CD1 1 1
3 551 1 1 5 LEU CD2 C 6.545 7.064 5.290 1.00 . A A . 5 LEU CD2 1 1
3 552 1 1 5 LEU CG C 5.764 5.854 4.807 1.00 . A A . 5 LEU CG 1 1
3 553 1 1 5 LEU H H 4.865 2.479 4.631 1.00 . A A . 5 LEU H 1 1
3 554 1 1 5 LEU HA H 6.155 4.140 2.575 1.00 . A A . 5 LEU HA 1 1
3 555 1 1 5 LEU HB2 H 6.828 4.149 5.517 1.00 . A A . 5 LEU HB2 1 1
3 556 1 1 5 LEU HB3 H 7.667 5.054 4.276 1.00 . A A . 5 LEU HB3 1 1
3 557 1 1 5 LEU HD11 H 4.722 4.446 6.039 1.00 . A A . 5 LEU HD11 1 1
3 558 1 1 5 LEU HD12 H 3.704 5.722 5.371 1.00 . A A . 5 LEU HD12 1 1
3 559 1 1 5 LEU HD13 H 4.801 6.078 6.703 1.00 . A A . 5 LEU HD13 1 1
3 560 1 1 5 LEU HD21 H 7.591 6.811 5.362 1.00 . A A . 5 LEU HD21 1 1
3 561 1 1 5 LEU HD22 H 6.178 7.364 6.261 1.00 . A A . 5 LEU HD22 1 1
3 562 1 1 5 LEU HD23 H 6.418 7.877 4.591 1.00 . A A . 5 LEU HD23 1 1
3 563 1 1 5 LEU HG H 5.290 6.116 3.872 1.00 . A A . 5 LEU HG 1 1
3 564 1 1 5 LEU N N 4.949 3.069 3.856 1.00 . A A . 5 LEU N 1 1
3 565 1 1 5 LEU O O 8.066 2.546 2.367 1.00 . A A . 5 LEU O 1 1
3 566 1 1 6 PRO C C 8.333 -0.512 3.529 1.00 . A A . 6 PRO C 1 1
3 567 1 1 6 PRO CA C 8.654 0.711 4.372 1.00 . A A . 6 PRO CA 1 1
3 568 1 1 6 PRO CB C 8.819 0.316 5.850 1.00 . A A . 6 PRO CB 1 1
3 569 1 1 6 PRO CD C 6.842 1.635 5.655 1.00 . A A . 6 PRO CD 1 1
3 570 1 1 6 PRO CG C 7.922 1.232 6.614 1.00 . A A . 6 PRO CG 1 1
3 571 1 1 6 PRO HA H 9.572 1.156 4.013 1.00 . A A . 6 PRO HA 1 1
3 572 1 1 6 PRO HB2 H 8.529 -0.716 5.982 1.00 . A A . 6 PRO HB2 1 1
3 573 1 1 6 PRO HB3 H 9.851 0.443 6.144 1.00 . A A . 6 PRO HB3 1 1
3 574 1 1 6 PRO HD2 H 6.059 0.893 5.625 1.00 . A A . 6 PRO HD2 1 1
3 575 1 1 6 PRO HD3 H 6.440 2.599 5.903 1.00 . A A . 6 PRO HD3 1 1
3 576 1 1 6 PRO HG2 H 7.498 0.711 7.460 1.00 . A A . 6 PRO HG2 1 1
3 577 1 1 6 PRO HG3 H 8.476 2.099 6.944 1.00 . A A . 6 PRO HG3 1 1
3 578 1 1 6 PRO N N 7.561 1.687 4.383 1.00 . A A . 6 PRO N 1 1
3 579 1 1 6 PRO O O 7.178 -0.733 3.164 1.00 . A A . 6 PRO O 1 1
3 580 1 1 7 GLY C C 8.499 -3.579 3.181 1.00 . A A . 7 GLY C 1 1
3 581 1 1 7 GLY CA C 9.192 -2.476 2.409 1.00 . A A . 7 GLY CA 1 1
3 582 1 1 7 GLY H H 10.266 -1.026 3.512 1.00 . A A . 7 GLY H 1 1
3 583 1 1 7 GLY HA2 H 8.599 -2.236 1.537 1.00 . A A . 7 GLY HA2 1 1
3 584 1 1 7 GLY HA3 H 10.160 -2.827 2.090 1.00 . A A . 7 GLY HA3 1 1
3 585 1 1 7 GLY N N 9.366 -1.277 3.203 1.00 . A A . 7 GLY N 1 1
3 586 1 1 7 GLY O O 7.271 -3.625 3.246 1.00 . A A . 7 GLY O 1 1
3 587 1 1 8 GLY C C 7.870 -6.474 3.776 1.00 . A A . 8 GLY C 1 1
3 588 1 1 8 GLY CA C 8.746 -5.540 4.589 1.00 . A A . 8 GLY CA 1 1
3 589 1 1 8 GLY H H 10.269 -4.350 3.713 1.00 . A A . 8 GLY H 1 1
3 590 1 1 8 GLY HA2 H 9.560 -6.107 5.012 1.00 . A A . 8 GLY HA2 1 1
3 591 1 1 8 GLY HA3 H 8.157 -5.121 5.392 1.00 . A A . 8 GLY HA3 1 1
3 592 1 1 8 GLY N N 9.294 -4.453 3.792 1.00 . A A . 8 GLY N 1 1
3 593 1 1 8 GLY O O 6.827 -6.925 4.249 1.00 . A A . 8 GLY O 1 1
3 594 1 1 9 GLY C C 6.765 -6.660 0.578 1.00 . A A . 9 GLY C 1 1
3 595 1 1 9 GLY CA C 7.442 -7.503 1.634 1.00 . A A . 9 GLY CA 1 1
3 596 1 1 9 GLY H H 9.062 -6.251 2.182 1.00 . A A . 9 GLY H 1 1
3 597 1 1 9 GLY HA2 H 8.075 -8.234 1.151 1.00 . A A . 9 GLY HA2 1 1
3 598 1 1 9 GLY HA3 H 6.687 -8.016 2.213 1.00 . A A . 9 GLY HA3 1 1
3 599 1 1 9 GLY N N 8.250 -6.691 2.524 1.00 . A A . 9 GLY N 1 1
3 600 1 1 9 GLY O O 5.609 -6.895 0.221 1.00 . A A . 9 GLY O 1 1
3 601 1 1 10 GLY C C 6.734 -3.305 -0.212 1.00 . A A . 10 GLY C 1 1
3 602 1 1 10 GLY CA C 6.879 -4.688 -0.804 1.00 . A A . 10 GLY CA 1 1
3 603 1 1 10 GLY H H 8.343 -5.435 0.520 1.00 . A A . 10 GLY H 1 1
3 604 1 1 10 GLY HA2 H 7.521 -4.636 -1.671 1.00 . A A . 10 GLY HA2 1 1
3 605 1 1 10 GLY HA3 H 5.905 -5.047 -1.107 1.00 . A A . 10 GLY HA3 1 1
3 606 1 1 10 GLY N N 7.450 -5.613 0.148 1.00 . A A . 10 GLY N 1 1
3 607 1 1 10 GLY O O 7.686 -2.524 -0.205 1.00 . A A . 10 GLY O 1 1
3 608 1 1 11 VAL C C 4.277 -2.001 2.135 1.00 . A A . 11 VAL C 1 1
3 609 1 1 11 VAL CA C 5.288 -1.783 1.040 1.00 . A A . 11 VAL CA 1 1
3 610 1 1 11 VAL CB C 4.738 -0.682 0.092 1.00 . A A . 11 VAL CB 1 1
3 611 1 1 11 VAL CG1 C 5.834 -0.118 -0.800 1.00 . A A . 11 VAL CG1 1 1
3 612 1 1 11 VAL CG2 C 3.591 -1.225 -0.750 1.00 . A A . 11 VAL CG2 1 1
3 613 1 1 11 VAL H H 4.881 -3.740 0.366 1.00 . A A . 11 VAL H 1 1
3 614 1 1 11 VAL HA H 6.200 -1.416 1.503 1.00 . A A . 11 VAL HA 1 1
3 615 1 1 11 VAL HB H 4.351 0.126 0.703 1.00 . A A . 11 VAL HB 1 1
3 616 1 1 11 VAL HG11 H 6.422 -0.928 -1.204 1.00 . A A . 11 VAL HG11 1 1
3 617 1 1 11 VAL HG12 H 6.472 0.535 -0.222 1.00 . A A . 11 VAL HG12 1 1
3 618 1 1 11 VAL HG13 H 5.389 0.441 -1.609 1.00 . A A . 11 VAL HG13 1 1
3 619 1 1 11 VAL HG21 H 3.410 -0.562 -1.583 1.00 . A A . 11 VAL HG21 1 1
3 620 1 1 11 VAL HG22 H 2.699 -1.294 -0.143 1.00 . A A . 11 VAL HG22 1 1
3 621 1 1 11 VAL HG23 H 3.851 -2.206 -1.120 1.00 . A A . 11 VAL HG23 1 1
3 622 1 1 11 VAL N N 5.567 -3.040 0.355 1.00 . A A . 11 VAL N 1 1
3 623 1 1 11 VAL O O 3.419 -2.882 2.056 1.00 . A A . 11 VAL O 1 1
3 624 1 1 12 CYS C C 2.034 -0.641 3.577 1.00 . A A . 12 CYS C 1 1
3 625 1 1 12 CYS CA C 3.374 -1.070 4.159 1.00 . A A . 12 CYS CA 1 1
3 626 1 1 12 CYS CB C 3.898 -0.092 5.204 1.00 . A A . 12 CYS CB 1 1
3 627 1 1 12 CYS H H 5.041 -0.443 3.066 1.00 . A A . 12 CYS H 1 1
3 628 1 1 12 CYS HA H 3.277 -2.053 4.597 1.00 . A A . 12 CYS HA 1 1
3 629 1 1 12 CYS HB2 H 4.480 -0.649 5.918 1.00 . A A . 12 CYS HB2 1 1
3 630 1 1 12 CYS HB3 H 4.552 0.612 4.708 1.00 . A A . 12 CYS HB3 1 1
3 631 1 1 12 CYS N N 4.350 -1.135 3.108 1.00 . A A . 12 CYS N 1 1
3 632 1 1 12 CYS O O 1.999 0.152 2.637 1.00 . A A . 12 CYS O 1 1
3 633 1 1 12 CYS SG S 2.637 0.846 6.091 1.00 . A A . 12 CYS SG 1 1
3 634 1 1 13 ABA C C -0.401 -1.848 2.059 1.00 . A A . 13 ABA C 1 1
3 635 1 1 13 ABA CA C -0.327 -1.074 3.363 1.00 . A A . 13 ABA CA 1 1
3 636 1 1 13 ABA CB C -1.515 -1.500 4.258 1.00 . A A . 13 ABA CB 1 1
3 637 1 1 13 ABA CG C -1.225 -1.196 5.719 1.00 . A A . 13 ABA CG 1 1
3 638 1 1 13 ABA H H 1.066 -2.051 4.617 1.00 . A A . 13 ABA H 1 1
3 639 1 1 13 ABA HA H -0.410 -0.015 3.143 1.00 . A A . 13 ABA HA 1 1
3 640 1 1 13 ABA HB3 H -1.647 -2.570 4.155 1.00 . A A . 13 ABA HB3 1 1
3 641 1 1 13 ABA HG1 H -2.130 -1.306 6.298 1.00 . A A . 13 ABA HG1 1 1
3 642 1 1 13 ABA HG2 H -0.860 -0.184 5.811 1.00 . A A . 13 ABA HG2 1 1
3 643 1 1 13 ABA HG3 H -0.475 -1.881 6.088 1.00 . A A . 13 ABA HG3 1 1
3 644 1 1 13 ABA N N 0.961 -1.297 3.993 1.00 . A A . 13 ABA N 1 1
3 645 1 1 13 ABA O O -0.963 -1.372 1.076 1.00 . A A . 13 ABA O 1 1
3 646 1 1 14 LEU C C -1.110 -4.469 0.548 1.00 . A A . 14 LEU C 1 1
3 647 1 1 14 LEU CA C 0.252 -3.853 0.866 1.00 . A A . 14 LEU CA 1 1
3 648 1 1 14 LEU CB C 1.303 -4.947 1.074 1.00 . A A . 14 LEU CB 1 1
3 649 1 1 14 LEU CD1 C 1.789 -5.458 -1.327 1.00 . A A . 14 LEU CD1 1 1
3 650 1 1 14 LEU CD2 C 2.200 -7.190 0.437 1.00 . A A . 14 LEU CD2 1 1
3 651 1 1 14 LEU CG C 1.324 -6.025 0.005 1.00 . A A . 14 LEU CG 1 1
3 652 1 1 14 LEU H H 0.635 -3.350 2.864 1.00 . A A . 14 LEU H 1 1
3 653 1 1 14 LEU HA H 0.554 -3.226 0.041 1.00 . A A . 14 LEU HA 1 1
3 654 1 1 14 LEU HB2 H 2.275 -4.480 1.108 1.00 . A A . 14 LEU HB2 1 1
3 655 1 1 14 LEU HB3 H 1.116 -5.421 2.026 1.00 . A A . 14 LEU HB3 1 1
3 656 1 1 14 LEU HD11 H 2.869 -5.429 -1.348 1.00 . A A . 14 LEU HD11 1 1
3 657 1 1 14 LEU HD12 H 1.401 -4.458 -1.447 1.00 . A A . 14 LEU HD12 1 1
3 658 1 1 14 LEU HD13 H 1.429 -6.084 -2.128 1.00 . A A . 14 LEU HD13 1 1
3 659 1 1 14 LEU HD21 H 3.081 -6.813 0.937 1.00 . A A . 14 LEU HD21 1 1
3 660 1 1 14 LEU HD22 H 2.494 -7.761 -0.431 1.00 . A A . 14 LEU HD22 1 1
3 661 1 1 14 LEU HD23 H 1.645 -7.822 1.113 1.00 . A A . 14 LEU HD23 1 1
3 662 1 1 14 LEU HG H 0.318 -6.387 -0.118 1.00 . A A . 14 LEU HG 1 1
3 663 1 1 14 LEU N N 0.191 -3.031 2.051 1.00 . A A . 14 LEU N 1 1
3 664 1 1 14 LEU O O -1.450 -5.550 1.031 1.00 . A A . 14 LEU O 1 1
3 665 1 1 15 ABA C C -4.293 -3.286 -0.318 1.00 . A A . 15 ABA C 1 1
3 666 1 1 15 ABA CA C -3.186 -4.264 -0.691 1.00 . A A . 15 ABA CA 1 1
3 667 1 1 15 ABA CB C -3.215 -4.517 -2.214 1.00 . A A . 15 ABA CB 1 1
3 668 1 1 15 ABA CG C -2.896 -5.978 -2.482 1.00 . A A . 15 ABA CG 1 1
3 669 1 1 15 ABA H H -1.576 -2.896 -0.586 1.00 . A A . 15 ABA H 1 1
3 670 1 1 15 ABA HA H -3.366 -5.203 -0.190 1.00 . A A . 15 ABA HA 1 1
3 671 1 1 15 ABA HB3 H -4.216 -4.321 -2.573 1.00 . A A . 15 ABA HB3 1 1
3 672 1 1 15 ABA HG1 H -1.950 -6.232 -2.023 1.00 . A A . 15 ABA HG1 1 1
3 673 1 1 15 ABA HG2 H -2.835 -6.143 -3.548 1.00 . A A . 15 ABA HG2 1 1
3 674 1 1 15 ABA HG3 H -3.675 -6.599 -2.064 1.00 . A A . 15 ABA HG3 1 1
3 675 1 1 15 ABA N N -1.886 -3.771 -0.267 1.00 . A A . 15 ABA N 1 1
3 676 1 1 15 ABA O O -4.016 -2.140 0.043 1.00 . A A . 15 ABA O 1 1
3 677 1 1 16 DHA C C -6.779 -2.198 0.974 1.00 . A A . 16 DHA C 1 1
3 678 1 1 16 DHA CA C -6.614 -2.911 -0.238 1.00 . A A . 16 DHA CA 1 1
3 679 1 1 16 DHA CB C -7.533 -2.777 -1.203 1.00 . A A . 16 DHA CB 1 1
3 680 1 1 16 DHA H H -5.636 -4.659 -0.795 1.00 . A A . 16 DHA H 1 1
3 681 1 1 16 DHA HB1 H -7.421 -3.311 -2.134 1.00 . A A . 16 DHA HB1 1 1
3 682 1 1 16 DHA HB2 H -8.388 -2.136 -1.047 1.00 . A A . 16 DHA HB2 1 1
3 683 1 1 16 DHA N N -5.539 -3.738 -0.460 1.00 . A A . 16 DHA N 1 1
3 684 1 1 16 DHA O O -7.485 -1.189 1.015 1.00 . A A . 16 DHA O 1 1
3 685 1 1 17 GLU C C -5.650 -0.609 3.263 1.00 . A A . 17 GLU C 1 1
3 686 1 1 17 GLU CA C -6.245 -2.012 3.330 1.00 . A A . 17 GLU CA 1 1
3 687 1 1 17 GLU CB C -5.521 -2.822 4.402 1.00 . A A . 17 GLU CB 1 1
3 688 1 1 17 GLU CD C -7.411 -2.546 6.040 1.00 . A A . 17 GLU CD 1 1
3 689 1 1 17 GLU CG C -5.918 -2.444 5.816 1.00 . A A . 17 GLU CG 1 1
3 690 1 1 17 GLU H H -5.602 -3.488 1.956 1.00 . A A . 17 GLU H 1 1
3 691 1 1 17 GLU HA H -7.291 -1.937 3.588 1.00 . A A . 17 GLU HA 1 1
3 692 1 1 17 GLU HB2 H -5.735 -3.870 4.257 1.00 . A A . 17 GLU HB2 1 1
3 693 1 1 17 GLU HB3 H -4.457 -2.664 4.297 1.00 . A A . 17 GLU HB3 1 1
3 694 1 1 17 GLU HG2 H -5.420 -3.105 6.508 1.00 . A A . 17 GLU HG2 1 1
3 695 1 1 17 GLU HG3 H -5.610 -1.427 6.005 1.00 . A A . 17 GLU HG3 1 1
3 696 1 1 17 GLU N N -6.146 -2.672 2.039 1.00 . A A . 17 GLU N 1 1
3 697 1 1 17 GLU O O -6.122 0.310 3.930 1.00 . A A . 17 GLU O 1 1
3 698 1 1 17 GLU OE1 O -7.974 -3.644 5.848 1.00 . A A . 17 GLU OE1 1 1
3 699 1 1 17 GLU OE2 O -8.030 -1.529 6.409 1.00 . A A . 17 GLU OE2 1 1
3 700 1 1 18 CYS C C -3.679 1.229 0.929 1.00 . A A . 18 CYS C 1 1
3 701 1 1 18 CYS CA C -3.920 0.825 2.378 1.00 . A A . 18 CYS CA 1 1
3 702 1 1 18 CYS CB C -2.572 0.766 3.078 1.00 . A A . 18 CYS CB 1 1
3 703 1 1 18 CYS H H -4.258 -1.222 1.966 1.00 . A A . 18 CYS H 1 1
3 704 1 1 18 CYS HA H -4.534 1.570 2.857 1.00 . A A . 18 CYS HA 1 1
3 705 1 1 18 CYS HB2 H -1.892 0.253 2.422 1.00 . A A . 18 CYS HB2 1 1
3 706 1 1 18 CYS HB3 H -2.215 1.773 3.226 1.00 . A A . 18 CYS HB3 1 1
3 707 1 1 18 CYS N N -4.596 -0.455 2.477 1.00 . A A . 18 CYS N 1 1
3 708 1 1 18 CYS O O -4.371 2.095 0.392 1.00 . A A . 18 CYS O 1 1
3 709 1 1 18 CYS SG S -2.556 -0.083 4.669 1.00 . A A . 18 CYS SG 1 1
3 710 1 1 19 ILE C C -2.959 0.813 -2.042 1.00 . A A . 19 ILE C 1 1
3 711 1 1 19 ILE CA C -2.043 1.229 -0.885 1.00 . A A . 19 ILE CA 1 1
3 712 1 1 19 ILE CB C -0.585 0.734 -1.120 1.00 . A A . 19 ILE CB 1 1
3 713 1 1 19 ILE CD1 C -0.033 1.967 -3.288 1.00 . A A . 19 ILE CD1 1 1
3 714 1 1 19 ILE CG1 C 0.262 1.808 -1.817 1.00 . A A . 19 ILE CG1 1 1
3 715 1 1 19 ILE CG2 C -0.544 -0.575 -1.908 1.00 . A A . 19 ILE CG2 1 1
3 716 1 1 19 ILE H H -1.979 0.169 0.931 1.00 . A A . 19 ILE H 1 1
3 717 1 1 19 ILE HA H -2.018 2.301 -0.823 1.00 . A A . 19 ILE HA 1 1
3 718 1 1 19 ILE HB H -0.150 0.539 -0.159 1.00 . A A . 19 ILE HB 1 1
3 719 1 1 19 ILE HD11 H -0.504 1.067 -3.648 1.00 . A A . 19 ILE HD11 1 1
3 720 1 1 19 ILE HD12 H 0.889 2.135 -3.823 1.00 . A A . 19 ILE HD12 1 1
3 721 1 1 19 ILE HD13 H -0.695 2.805 -3.433 1.00 . A A . 19 ILE HD13 1 1
3 722 1 1 19 ILE HG12 H 0.083 2.761 -1.341 1.00 . A A . 19 ILE HG12 1 1
3 723 1 1 19 ILE HG13 H 1.307 1.553 -1.715 1.00 . A A . 19 ILE HG13 1 1
3 724 1 1 19 ILE HG21 H 0.425 -0.686 -2.367 1.00 . A A . 19 ILE HG21 1 1
3 725 1 1 19 ILE HG22 H -1.305 -0.557 -2.674 1.00 . A A . 19 ILE HG22 1 1
3 726 1 1 19 ILE HG23 H -0.725 -1.404 -1.240 1.00 . A A . 19 ILE HG23 1 1
3 727 1 1 19 ILE N N -2.553 0.755 0.390 1.00 . A A . 19 ILE N 1 1
3 728 1 1 19 ILE O O -3.095 1.534 -3.035 1.00 . A A . 19 ILE O 1 1
3 729 1 1 20 TEE CA C -4.436 -0.785 -2.881 1.00 . A A . 20 TEE CA 1 1
3 730 1 1 20 TEE CB C -4.272 -2.095 -3.379 1.00 . A A . 20 TEE CB 1 1
3 731 1 1 20 TEE HA H -4.757 -1.695 -2.396 1.00 . A A . 20 TEE HA 1 1
3 732 1 1 20 TEE HB2 H -3.815 -2.853 -2.764 1.00 . A A . 20 TEE HB2 1 1
3 733 1 1 20 TEE HN1 H -3.468 -0.814 -1.042 1.00 . A A . 20 TEE HN1 1 1
3 734 1 1 20 TEE N N -3.610 -0.333 -1.889 1.00 . A A . 20 TEE N 1 1
3 735 1 1 20 TEE SG S -4.261 -3.893 -3.551 1.00 . A A . 20 TEE SG 1 1
4 736 1 1 1 CYS C C 2.932 10.112 1.614 1.00 . A A . 1 CYS C 1 1
4 737 1 1 1 CYS CA C 1.437 10.213 1.890 1.00 . A A . 1 CYS CA 1 1
4 738 1 1 1 CYS CB C 0.720 10.853 0.703 1.00 . A A . 1 CYS CB 1 1
4 739 1 1 1 CYS H1 H 0.259 11.510 3.019 1.00 . A A . 1 CYS H1 1 1
4 740 1 1 1 CYS H2 H 1.929 11.688 3.284 1.00 . A A . 1 CYS H2 1 1
4 741 1 1 1 CYS H3 H 1.102 10.360 3.938 1.00 . A A . 1 CYS H3 1 1
4 742 1 1 1 CYS HA H 1.046 9.217 2.036 1.00 . A A . 1 CYS HA 1 1
4 743 1 1 1 CYS HB2 H -0.348 10.812 0.874 1.00 . A A . 1 CYS HB2 1 1
4 744 1 1 1 CYS HB3 H 1.025 11.885 0.619 1.00 . A A . 1 CYS HB3 1 1
4 745 1 1 1 CYS N N 1.163 10.996 3.116 1.00 . A A . 1 CYS N 1 1
4 746 1 1 1 CYS O O 3.688 11.025 1.942 1.00 . A A . 1 CYS O 1 1
4 747 1 1 1 CYS SG S 1.079 10.027 -0.855 1.00 . A A . 1 CYS SG 1 1
4 748 1 1 2 ABA C C 1.954 7.155 1.879 1.00 . A A . 2 ABA C 1 1
4 749 1 1 2 ABA CA C 2.500 7.875 0.650 1.00 . A A . 2 ABA CA 1 1
4 750 1 1 2 ABA CB C 1.338 8.341 -0.258 1.00 . A A . 2 ABA CB 1 1
4 751 1 1 2 ABA CG C 1.688 8.117 -1.720 1.00 . A A . 2 ABA CG 1 1
4 752 1 1 2 ABA H H 4.339 8.907 0.856 1.00 . A A . 2 ABA H 1 1
4 753 1 1 2 ABA HA H 3.094 7.175 0.092 1.00 . A A . 2 ABA HA 1 1
4 754 1 1 2 ABA HB3 H 0.468 7.745 -0.025 1.00 . A A . 2 ABA HB3 1 1
4 755 1 1 2 ABA HG1 H 2.422 7.328 -1.797 1.00 . A A . 2 ABA HG1 1 1
4 756 1 1 2 ABA HG2 H 2.093 9.027 -2.136 1.00 . A A . 2 ABA HG2 1 1
4 757 1 1 2 ABA HG3 H 0.799 7.837 -2.265 1.00 . A A . 2 ABA HG3 1 1
4 758 1 1 2 ABA N N 3.376 8.991 1.034 1.00 . A A . 2 ABA N 1 1
4 759 1 1 2 ABA O O 2.541 7.245 2.958 1.00 . A A . 2 ABA O 1 1
4 760 1 1 3 PHE C C 1.060 4.375 2.982 1.00 . A A . 3 PHE C 1 1
4 761 1 1 3 PHE CA C 0.289 5.678 2.818 1.00 . A A . 3 PHE CA 1 1
4 762 1 1 3 PHE CB C -1.200 5.402 2.601 1.00 . A A . 3 PHE CB 1 1
4 763 1 1 3 PHE CD1 C -1.630 5.654 5.054 1.00 . A A . 3 PHE CD1 1 1
4 764 1 1 3 PHE CD2 C -2.856 4.003 3.850 1.00 . A A . 3 PHE CD2 1 1
4 765 1 1 3 PHE CE1 C -2.283 5.293 6.218 1.00 . A A . 3 PHE CE1 1 1
4 766 1 1 3 PHE CE2 C -3.513 3.637 5.009 1.00 . A A . 3 PHE CE2 1 1
4 767 1 1 3 PHE CG C -1.909 5.013 3.862 1.00 . A A . 3 PHE CG 1 1
4 768 1 1 3 PHE CZ C -3.218 4.303 6.204 1.00 . A A . 3 PHE CZ 1 1
4 769 1 1 3 PHE H H 0.423 6.392 0.834 1.00 . A A . 3 PHE H 1 1
4 770 1 1 3 PHE HA H 0.412 6.265 3.717 1.00 . A A . 3 PHE HA 1 1
4 771 1 1 3 PHE HB2 H -1.676 6.291 2.213 1.00 . A A . 3 PHE HB2 1 1
4 772 1 1 3 PHE HB3 H -1.314 4.595 1.890 1.00 . A A . 3 PHE HB3 1 1
4 773 1 1 3 PHE HD1 H -0.893 6.443 5.072 1.00 . A A . 3 PHE HD1 1 1
4 774 1 1 3 PHE HD2 H -3.081 3.498 2.921 1.00 . A A . 3 PHE HD2 1 1
4 775 1 1 3 PHE HE1 H -2.057 5.802 7.142 1.00 . A A . 3 PHE HE1 1 1
4 776 1 1 3 PHE HE2 H -4.251 2.847 4.987 1.00 . A A . 3 PHE HE2 1 1
4 777 1 1 3 PHE HZ H -3.729 4.026 7.115 1.00 . A A . 3 PHE HZ 1 1
4 778 1 1 3 PHE N N 0.849 6.439 1.718 1.00 . A A . 3 PHE N 1 1
4 779 1 1 3 PHE O O 0.864 3.425 2.225 1.00 . A A . 3 PHE O 1 1
4 780 1 1 4 ABA C C 4.383 3.782 3.722 1.00 . A A . 4 ABA C 1 1
4 781 1 1 4 ABA CA C 2.968 3.293 4.033 1.00 . A A . 4 ABA CA 1 1
4 782 1 1 4 ABA CB C 2.896 2.724 5.475 1.00 . A A . 4 ABA CB 1 1
4 783 1 1 4 ABA CG C 1.508 2.911 6.073 1.00 . A A . 4 ABA CG 1 1
4 784 1 1 4 ABA H H 2.230 5.246 4.342 1.00 . A A . 4 ABA H 1 1
4 785 1 1 4 ABA HA H 2.705 2.506 3.327 1.00 . A A . 4 ABA HA 1 1
4 786 1 1 4 ABA HB3 H 3.099 1.666 5.434 1.00 . A A . 4 ABA HB3 1 1
4 787 1 1 4 ABA HG1 H 0.934 2.003 5.944 1.00 . A A . 4 ABA HG1 1 1
4 788 1 1 4 ABA HG2 H 1.006 3.726 5.573 1.00 . A A . 4 ABA HG2 1 1
4 789 1 1 4 ABA HG3 H 1.597 3.136 7.127 1.00 . A A . 4 ABA HG3 1 1
4 790 1 1 4 ABA N N 2.047 4.404 3.861 1.00 . A A . 4 ABA N 1 1
4 791 1 1 4 ABA O O 4.547 4.850 3.130 1.00 . A A . 4 ABA O 1 1
4 792 1 1 5 LEU C C 7.825 2.316 4.045 1.00 . A A . 5 LEU C 1 1
4 793 1 1 5 LEU CA C 6.784 3.437 3.850 1.00 . A A . 5 LEU CA 1 1
4 794 1 1 5 LEU CB C 7.181 4.679 4.679 1.00 . A A . 5 LEU CB 1 1
4 795 1 1 5 LEU CD1 C 8.064 5.561 6.849 1.00 . A A . 5 LEU CD1 1 1
4 796 1 1 5 LEU CD2 C 5.725 4.728 6.738 1.00 . A A . 5 LEU CD2 1 1
4 797 1 1 5 LEU CG C 7.139 4.543 6.206 1.00 . A A . 5 LEU CG 1 1
4 798 1 1 5 LEU H H 5.232 2.183 4.577 1.00 . A A . 5 LEU H 1 1
4 799 1 1 5 LEU HA H 6.817 3.720 2.808 1.00 . A A . 5 LEU HA 1 1
4 800 1 1 5 LEU HB2 H 8.187 4.955 4.402 1.00 . A A . 5 LEU HB2 1 1
4 801 1 1 5 LEU HB3 H 6.522 5.488 4.400 1.00 . A A . 5 LEU HB3 1 1
4 802 1 1 5 LEU HD11 H 7.482 6.275 7.413 1.00 . A A . 5 LEU HD11 1 1
4 803 1 1 5 LEU HD12 H 8.620 6.076 6.080 1.00 . A A . 5 LEU HD12 1 1
4 804 1 1 5 LEU HD13 H 8.751 5.054 7.510 1.00 . A A . 5 LEU HD13 1 1
4 805 1 1 5 LEU HD21 H 5.702 5.562 7.423 1.00 . A A . 5 LEU HD21 1 1
4 806 1 1 5 LEU HD22 H 5.417 3.829 7.252 1.00 . A A . 5 LEU HD22 1 1
4 807 1 1 5 LEU HD23 H 5.054 4.920 5.914 1.00 . A A . 5 LEU HD23 1 1
4 808 1 1 5 LEU HG H 7.479 3.558 6.485 1.00 . A A . 5 LEU HG 1 1
4 809 1 1 5 LEU N N 5.404 3.025 4.114 1.00 . A A . 5 LEU N 1 1
4 810 1 1 5 LEU O O 8.788 2.257 3.281 1.00 . A A . 5 LEU O 1 1
4 811 1 1 6 PRO C C 8.705 -0.676 4.189 1.00 . A A . 6 PRO C 1 1
4 812 1 1 6 PRO CA C 8.705 0.376 5.292 1.00 . A A . 6 PRO CA 1 1
4 813 1 1 6 PRO CB C 8.298 -0.248 6.634 1.00 . A A . 6 PRO CB 1 1
4 814 1 1 6 PRO CD C 6.648 1.359 6.074 1.00 . A A . 6 PRO CD 1 1
4 815 1 1 6 PRO CG C 7.347 0.726 7.235 1.00 . A A . 6 PRO CG 1 1
4 816 1 1 6 PRO HA H 9.696 0.799 5.379 1.00 . A A . 6 PRO HA 1 1
4 817 1 1 6 PRO HB2 H 7.826 -1.205 6.459 1.00 . A A . 6 PRO HB2 1 1
4 818 1 1 6 PRO HB3 H 9.170 -0.380 7.254 1.00 . A A . 6 PRO HB3 1 1
4 819 1 1 6 PRO HD2 H 5.830 0.739 5.741 1.00 . A A . 6 PRO HD2 1 1
4 820 1 1 6 PRO HD3 H 6.295 2.344 6.325 1.00 . A A . 6 PRO HD3 1 1
4 821 1 1 6 PRO HG2 H 6.640 0.210 7.868 1.00 . A A . 6 PRO HG2 1 1
4 822 1 1 6 PRO HG3 H 7.889 1.471 7.799 1.00 . A A . 6 PRO HG3 1 1
4 823 1 1 6 PRO N N 7.702 1.423 5.061 1.00 . A A . 6 PRO N 1 1
4 824 1 1 6 PRO O O 7.683 -0.910 3.537 1.00 . A A . 6 PRO O 1 1
4 825 1 1 7 GLY C C 10.209 -3.667 3.497 1.00 . A A . 7 GLY C 1 1
4 826 1 1 7 GLY CA C 9.999 -2.279 2.934 1.00 . A A . 7 GLY CA 1 1
4 827 1 1 7 GLY H H 10.649 -1.020 4.504 1.00 . A A . 7 GLY H 1 1
4 828 1 1 7 GLY HA2 H 9.106 -2.279 2.327 1.00 . A A . 7 GLY HA2 1 1
4 829 1 1 7 GLY HA3 H 10.845 -2.023 2.313 1.00 . A A . 7 GLY HA3 1 1
4 830 1 1 7 GLY N N 9.862 -1.281 3.971 1.00 . A A . 7 GLY N 1 1
4 831 1 1 7 GLY O O 11.163 -4.361 3.130 1.00 . A A . 7 GLY O 1 1
4 832 1 1 8 GLY C C 8.244 -6.284 4.453 1.00 . A A . 8 GLY C 1 1
4 833 1 1 8 GLY CA C 9.389 -5.419 4.929 1.00 . A A . 8 GLY CA 1 1
4 834 1 1 8 GLY H H 8.555 -3.502 4.610 1.00 . A A . 8 GLY H 1 1
4 835 1 1 8 GLY HA2 H 10.323 -5.872 4.627 1.00 . A A . 8 GLY HA2 1 1
4 836 1 1 8 GLY HA3 H 9.360 -5.355 6.006 1.00 . A A . 8 GLY HA3 1 1
4 837 1 1 8 GLY N N 9.309 -4.089 4.370 1.00 . A A . 8 GLY N 1 1
4 838 1 1 8 GLY O O 7.216 -6.396 5.125 1.00 . A A . 8 GLY O 1 1
4 839 1 1 9 GLY C C 6.596 -6.776 1.579 1.00 . A A . 9 GLY C 1 1
4 840 1 1 9 GLY CA C 7.303 -7.580 2.649 1.00 . A A . 9 GLY CA 1 1
4 841 1 1 9 GLY H H 9.198 -6.641 2.732 1.00 . A A . 9 GLY H 1 1
4 842 1 1 9 GLY HA2 H 7.708 -8.480 2.207 1.00 . A A . 9 GLY HA2 1 1
4 843 1 1 9 GLY HA3 H 6.591 -7.850 3.413 1.00 . A A . 9 GLY HA3 1 1
4 844 1 1 9 GLY N N 8.380 -6.819 3.249 1.00 . A A . 9 GLY N 1 1
4 845 1 1 9 GLY O O 5.388 -6.913 1.372 1.00 . A A . 9 GLY O 1 1
4 846 1 1 10 GLY C C 6.660 -3.569 0.519 1.00 . A A . 10 GLY C 1 1
4 847 1 1 10 GLY CA C 6.762 -4.979 -0.017 1.00 . A A . 10 GLY CA 1 1
4 848 1 1 10 GLY H H 8.279 -5.767 1.218 1.00 . A A . 10 GLY H 1 1
4 849 1 1 10 GLY HA2 H 7.383 -4.980 -0.902 1.00 . A A . 10 GLY HA2 1 1
4 850 1 1 10 GLY HA3 H 5.775 -5.329 -0.276 1.00 . A A . 10 GLY HA3 1 1
4 851 1 1 10 GLY N N 7.337 -5.870 0.964 1.00 . A A . 10 GLY N 1 1
4 852 1 1 10 GLY O O 7.668 -2.965 0.893 1.00 . A A . 10 GLY O 1 1
4 853 1 1 11 VAL C C 4.118 -1.953 2.385 1.00 . A A . 11 VAL C 1 1
4 854 1 1 11 VAL CA C 5.183 -1.820 1.330 1.00 . A A . 11 VAL CA 1 1
4 855 1 1 11 VAL CB C 4.741 -0.723 0.332 1.00 . A A . 11 VAL CB 1 1
4 856 1 1 11 VAL CG1 C 5.896 -0.317 -0.571 1.00 . A A . 11 VAL CG1 1 1
4 857 1 1 11 VAL CG2 C 3.553 -1.191 -0.497 1.00 . A A . 11 VAL CG2 1 1
4 858 1 1 11 VAL H H 4.675 -3.690 0.491 1.00 . A A . 11 VAL H 1 1
4 859 1 1 11 VAL HA H 6.091 -1.488 1.819 1.00 . A A . 11 VAL HA 1 1
4 860 1 1 11 VAL HB H 4.430 0.152 0.904 1.00 . A A . 11 VAL HB 1 1
4 861 1 1 11 VAL HG11 H 6.459 -1.195 -0.849 1.00 . A A . 11 VAL HG11 1 1
4 862 1 1 11 VAL HG12 H 6.539 0.372 -0.045 1.00 . A A . 11 VAL HG12 1 1
4 863 1 1 11 VAL HG13 H 5.507 0.157 -1.461 1.00 . A A . 11 VAL HG13 1 1
4 864 1 1 11 VAL HG21 H 3.111 -2.062 -0.034 1.00 . A A . 11 VAL HG21 1 1
4 865 1 1 11 VAL HG22 H 3.886 -1.443 -1.493 1.00 . A A . 11 VAL HG22 1 1
4 866 1 1 11 VAL HG23 H 2.818 -0.401 -0.552 1.00 . A A . 11 VAL HG23 1 1
4 867 1 1 11 VAL N N 5.436 -3.107 0.697 1.00 . A A . 11 VAL N 1 1
4 868 1 1 11 VAL O O 3.262 -2.835 2.333 1.00 . A A . 11 VAL O 1 1
4 869 1 1 12 CYS C C 1.840 -0.492 3.760 1.00 . A A . 12 CYS C 1 1
4 870 1 1 12 CYS CA C 3.187 -0.904 4.348 1.00 . A A . 12 CYS CA 1 1
4 871 1 1 12 CYS CB C 3.729 0.111 5.348 1.00 . A A . 12 CYS CB 1 1
4 872 1 1 12 CYS H H 4.874 -0.352 3.243 1.00 . A A . 12 CYS H 1 1
4 873 1 1 12 CYS HA H 3.083 -1.863 4.833 1.00 . A A . 12 CYS HA 1 1
4 874 1 1 12 CYS HB2 H 4.306 -0.420 6.086 1.00 . A A . 12 CYS HB2 1 1
4 875 1 1 12 CYS HB3 H 4.392 0.782 4.819 1.00 . A A . 12 CYS HB3 1 1
4 876 1 1 12 CYS N N 4.170 -1.030 3.305 1.00 . A A . 12 CYS N 1 1
4 877 1 1 12 CYS O O 1.663 0.645 3.331 1.00 . A A . 12 CYS O 1 1
4 878 1 1 12 CYS SG S 2.504 1.115 6.203 1.00 . A A . 12 CYS SG 1 1
4 879 1 1 13 ABA C C -0.402 -1.914 1.591 1.00 . A A . 13 ABA C 1 1
4 880 1 1 13 ABA CA C -0.321 -1.212 2.931 1.00 . A A . 13 ABA CA 1 1
4 881 1 1 13 ABA CB C -1.516 -1.674 3.792 1.00 . A A . 13 ABA CB 1 1
4 882 1 1 13 ABA CG C -1.132 -1.770 5.260 1.00 . A A . 13 ABA CG 1 1
4 883 1 1 13 ABA H H 1.204 -2.388 3.813 1.00 . A A . 13 ABA H 1 1
4 884 1 1 13 ABA HA H -0.403 -0.142 2.762 1.00 . A A . 13 ABA HA 1 1
4 885 1 1 13 ABA HB3 H -1.810 -2.659 3.455 1.00 . A A . 13 ABA HB3 1 1
4 886 1 1 13 ABA HG1 H -0.568 -2.677 5.427 1.00 . A A . 13 ABA HG1 1 1
4 887 1 1 13 ABA HG2 H -2.025 -1.788 5.866 1.00 . A A . 13 ABA HG2 1 1
4 888 1 1 13 ABA HG3 H -0.529 -0.916 5.532 1.00 . A A . 13 ABA HG3 1 1
4 889 1 1 13 ABA N N 0.959 -1.465 3.578 1.00 . A A . 13 ABA N 1 1
4 890 1 1 13 ABA O O -1.019 -1.404 0.666 1.00 . A A . 13 ABA O 1 1
4 891 1 1 14 LEU C C -1.156 -4.443 -0.039 1.00 . A A . 14 LEU C 1 1
4 892 1 1 14 LEU CA C 0.215 -3.833 0.258 1.00 . A A . 14 LEU CA 1 1
4 893 1 1 14 LEU CB C 1.283 -4.922 0.349 1.00 . A A . 14 LEU CB 1 1
4 894 1 1 14 LEU CD1 C 1.756 -5.211 -2.088 1.00 . A A . 14 LEU CD1 1 1
4 895 1 1 14 LEU CD2 C 2.168 -7.102 -0.498 1.00 . A A . 14 LEU CD2 1 1
4 896 1 1 14 LEU CG C 1.295 -5.898 -0.812 1.00 . A A . 14 LEU CG 1 1
4 897 1 1 14 LEU H H 0.655 -3.463 2.277 1.00 . A A . 14 LEU H 1 1
4 898 1 1 14 LEU HA H 0.474 -3.154 -0.539 1.00 . A A . 14 LEU HA 1 1
4 899 1 1 14 LEU HB2 H 2.252 -4.446 0.401 1.00 . A A . 14 LEU HB2 1 1
4 900 1 1 14 LEU HB3 H 1.124 -5.480 1.261 1.00 . A A . 14 LEU HB3 1 1
4 901 1 1 14 LEU HD11 H 2.817 -5.022 -2.032 1.00 . A A . 14 LEU HD11 1 1
4 902 1 1 14 LEU HD12 H 1.229 -4.277 -2.203 1.00 . A A . 14 LEU HD12 1 1
4 903 1 1 14 LEU HD13 H 1.548 -5.848 -2.936 1.00 . A A . 14 LEU HD13 1 1
4 904 1 1 14 LEU HD21 H 1.616 -7.798 0.115 1.00 . A A . 14 LEU HD21 1 1
4 905 1 1 14 LEU HD22 H 3.052 -6.778 0.032 1.00 . A A . 14 LEU HD22 1 1
4 906 1 1 14 LEU HD23 H 2.459 -7.587 -1.420 1.00 . A A . 14 LEU HD23 1 1
4 907 1 1 14 LEU HG H 0.287 -6.242 -0.962 1.00 . A A . 14 LEU HG 1 1
4 908 1 1 14 LEU N N 0.200 -3.086 1.495 1.00 . A A . 14 LEU N 1 1
4 909 1 1 14 LEU O O -1.456 -5.568 0.366 1.00 . A A . 14 LEU O 1 1
4 910 1 1 15 ABA C C -4.404 -3.258 -0.504 1.00 . A A . 15 ABA C 1 1
4 911 1 1 15 ABA CA C -3.326 -4.150 -1.096 1.00 . A A . 15 ABA CA 1 1
4 912 1 1 15 ABA CB C -3.507 -4.218 -2.632 1.00 . A A . 15 ABA CB 1 1
4 913 1 1 15 ABA CG C -2.907 -5.518 -3.135 1.00 . A A . 15 ABA CG 1 1
4 914 1 1 15 ABA H H -1.728 -2.763 -0.960 1.00 . A A . 15 ABA H 1 1
4 915 1 1 15 ABA HA H -3.445 -5.146 -0.699 1.00 . A A . 15 ABA HA 1 1
4 916 1 1 15 ABA HB3 H -4.566 -4.234 -2.845 1.00 . A A . 15 ABA HB3 1 1
4 917 1 1 15 ABA HG1 H -3.606 -6.326 -2.973 1.00 . A A . 15 ABA HG1 1 1
4 918 1 1 15 ABA HG2 H -1.992 -5.721 -2.599 1.00 . A A . 15 ABA HG2 1 1
4 919 1 1 15 ABA HG3 H -2.695 -5.433 -4.189 1.00 . A A . 15 ABA HG3 1 1
4 920 1 1 15 ABA N N -1.997 -3.680 -0.726 1.00 . A A . 15 ABA N 1 1
4 921 1 1 15 ABA O O -4.121 -2.140 -0.066 1.00 . A A . 15 ABA O 1 1
4 922 1 1 16 DHA C C -6.653 -2.465 1.313 1.00 . A A . 16 DHA C 1 1
4 923 1 1 16 DHA CA C -6.684 -3.042 0.023 1.00 . A A . 16 DHA CA 1 1
4 924 1 1 16 DHA CB C -7.765 -2.868 -0.746 1.00 . A A . 16 DHA CB 1 1
4 925 1 1 16 DHA H H -5.731 -4.700 -0.796 1.00 . A A . 16 DHA H 1 1
4 926 1 1 16 DHA HB1 H -7.802 -3.302 -1.734 1.00 . A A . 16 DHA HB1 1 1
4 927 1 1 16 DHA HB2 H -8.603 -2.294 -0.378 1.00 . A A . 16 DHA HB2 1 1
4 928 1 1 16 DHA N N -5.632 -3.776 -0.463 1.00 . A A . 16 DHA N 1 1
4 929 1 1 16 DHA O O -7.363 -1.491 1.589 1.00 . A A . 16 DHA O 1 1
4 930 1 1 17 GLU C C -5.148 -1.064 3.500 1.00 . A A . 17 GLU C 1 1
4 931 1 1 17 GLU CA C -5.653 -2.506 3.528 1.00 . A A . 17 GLU CA 1 1
4 932 1 1 17 GLU CB C -4.692 -3.393 4.320 1.00 . A A . 17 GLU CB 1 1
4 933 1 1 17 GLU CD C -3.745 -4.005 6.582 1.00 . A A . 17 GLU CD 1 1
4 934 1 1 17 GLU CG C -4.645 -3.069 5.803 1.00 . A A . 17 GLU CG 1 1
4 935 1 1 17 GLU H H -5.269 -3.792 1.891 1.00 . A A . 17 GLU H 1 1
4 936 1 1 17 GLU HA H -6.623 -2.525 4.004 1.00 . A A . 17 GLU HA 1 1
4 937 1 1 17 GLU HB2 H -4.998 -4.424 4.206 1.00 . A A . 17 GLU HB2 1 1
4 938 1 1 17 GLU HB3 H -3.697 -3.277 3.916 1.00 . A A . 17 GLU HB3 1 1
4 939 1 1 17 GLU HG2 H -4.280 -2.061 5.924 1.00 . A A . 17 GLU HG2 1 1
4 940 1 1 17 GLU HG3 H -5.646 -3.139 6.206 1.00 . A A . 17 GLU HG3 1 1
4 941 1 1 17 GLU N N -5.809 -3.017 2.178 1.00 . A A . 17 GLU N 1 1
4 942 1 1 17 GLU O O -5.582 -0.235 4.299 1.00 . A A . 17 GLU O 1 1
4 943 1 1 17 GLU OE1 O -3.131 -4.897 5.963 1.00 . A A . 17 GLU OE1 1 1
4 944 1 1 17 GLU OE2 O -3.647 -3.857 7.818 1.00 . A A . 17 GLU OE2 1 1
4 945 1 1 18 CYS C C -3.859 1.061 0.896 1.00 . A A . 18 CYS C 1 1
4 946 1 1 18 CYS CA C -3.838 0.624 2.354 1.00 . A A . 18 CYS CA 1 1
4 947 1 1 18 CYS CB C -2.413 0.786 2.861 1.00 . A A . 18 CYS CB 1 1
4 948 1 1 18 CYS H H -4.075 -1.419 1.845 1.00 . A A . 18 CYS H 1 1
4 949 1 1 18 CYS HA H -4.488 1.272 2.923 1.00 . A A . 18 CYS HA 1 1
4 950 1 1 18 CYS HB2 H -1.759 0.406 2.099 1.00 . A A . 18 CYS HB2 1 1
4 951 1 1 18 CYS HB3 H -2.213 1.836 2.991 1.00 . A A . 18 CYS HB3 1 1
4 952 1 1 18 CYS N N -4.314 -0.742 2.515 1.00 . A A . 18 CYS N 1 1
4 953 1 1 18 CYS O O -4.711 1.853 0.496 1.00 . A A . 18 CYS O 1 1
4 954 1 1 18 CYS SG S -2.036 -0.060 4.412 1.00 . A A . 18 CYS SG 1 1
4 955 1 1 19 ILE C C -3.634 0.905 -2.141 1.00 . A A . 19 ILE C 1 1
4 956 1 1 19 ILE CA C -2.546 1.297 -1.142 1.00 . A A . 19 ILE CA 1 1
4 957 1 1 19 ILE CB C -1.168 0.909 -1.722 1.00 . A A . 19 ILE CB 1 1
4 958 1 1 19 ILE CD1 C 0.170 -0.986 -2.781 1.00 . A A . 19 ILE CD1 1 1
4 959 1 1 19 ILE CG1 C -1.119 -0.574 -2.106 1.00 . A A . 19 ILE CG1 1 1
4 960 1 1 19 ILE CG2 C -0.061 1.252 -0.736 1.00 . A A . 19 ILE CG2 1 1
4 961 1 1 19 ILE H H -2.058 0.214 0.593 1.00 . A A . 19 ILE H 1 1
4 962 1 1 19 ILE HA H -2.547 2.360 -1.009 1.00 . A A . 19 ILE HA 1 1
4 963 1 1 19 ILE HB H -1.011 1.499 -2.605 1.00 . A A . 19 ILE HB 1 1
4 964 1 1 19 ILE HD11 H -0.005 -1.863 -3.388 1.00 . A A . 19 ILE HD11 1 1
4 965 1 1 19 ILE HD12 H 0.912 -1.210 -2.030 1.00 . A A . 19 ILE HD12 1 1
4 966 1 1 19 ILE HD13 H 0.520 -0.180 -3.407 1.00 . A A . 19 ILE HD13 1 1
4 967 1 1 19 ILE HG12 H -1.231 -1.173 -1.215 1.00 . A A . 19 ILE HG12 1 1
4 968 1 1 19 ILE HG13 H -1.933 -0.790 -2.782 1.00 . A A . 19 ILE HG13 1 1
4 969 1 1 19 ILE HG21 H -0.221 2.246 -0.345 1.00 . A A . 19 ILE HG21 1 1
4 970 1 1 19 ILE HG22 H 0.895 1.213 -1.239 1.00 . A A . 19 ILE HG22 1 1
4 971 1 1 19 ILE HG23 H -0.069 0.540 0.077 1.00 . A A . 19 ILE HG23 1 1
4 972 1 1 19 ILE N N -2.782 0.725 0.171 1.00 . A A . 19 ILE N 1 1
4 973 1 1 19 ILE O O -3.906 1.627 -3.100 1.00 . A A . 19 ILE O 1 1
4 974 1 1 20 TEE CA C -5.146 -0.741 -2.809 1.00 . A A . 20 TEE CA 1 1
4 975 1 1 20 TEE CB C -4.822 -1.829 -3.642 1.00 . A A . 20 TEE CB 1 1
4 976 1 1 20 TEE HA H -5.229 -1.658 -2.243 1.00 . A A . 20 TEE HA 1 1
4 977 1 1 20 TEE HB2 H -4.006 -2.484 -3.377 1.00 . A A . 20 TEE HB2 1 1
4 978 1 1 20 TEE HN1 H -3.891 -0.783 -1.158 1.00 . A A . 20 TEE HN1 1 1
4 979 1 1 20 TEE N N -4.207 -0.271 -1.934 1.00 . A A . 20 TEE N 1 1
4 980 1 1 20 TEE SG S -3.547 -3.053 -4.019 1.00 . A A . 20 TEE SG 1 1
5 981 1 1 1 CYS C C 3.239 6.310 -1.829 1.00 . A A . 1 CYS C 1 1
5 982 1 1 1 CYS CA C 3.188 7.556 -0.954 1.00 . A A . 1 CYS CA 1 1
5 983 1 1 1 CYS CB C 2.809 8.777 -1.788 1.00 . A A . 1 CYS CB 1 1
5 984 1 1 1 CYS H1 H 4.354 8.333 0.584 1.00 . A A . 1 CYS H1 1 1
5 985 1 1 1 CYS H2 H 5.119 8.331 -0.931 1.00 . A A . 1 CYS H2 1 1
5 986 1 1 1 CYS H3 H 4.943 6.880 -0.067 1.00 . A A . 1 CYS H3 1 1
5 987 1 1 1 CYS HA H 2.441 7.408 -0.186 1.00 . A A . 1 CYS HA 1 1
5 988 1 1 1 CYS HB2 H 2.741 9.639 -1.140 1.00 . A A . 1 CYS HB2 1 1
5 989 1 1 1 CYS HB3 H 3.574 8.949 -2.530 1.00 . A A . 1 CYS HB3 1 1
5 990 1 1 1 CYS N N 4.490 7.793 -0.295 1.00 . A A . 1 CYS N 1 1
5 991 1 1 1 CYS O O 4.294 5.984 -2.376 1.00 . A A . 1 CYS O 1 1
5 992 1 1 1 CYS SG S 1.236 8.579 -2.635 1.00 . A A . 1 CYS SG 1 1
5 993 1 1 2 ABA C C 0.877 5.636 0.219 1.00 . A A . 2 ABA C 1 1
5 994 1 1 2 ABA CA C 0.853 5.920 -1.284 1.00 . A A . 2 ABA CA 1 1
5 995 1 1 2 ABA CB C 0.446 7.393 -1.528 1.00 . A A . 2 ABA CB 1 1
5 996 1 1 2 ABA CG C -0.435 7.497 -2.758 1.00 . A A . 2 ABA CG 1 1
5 997 1 1 2 ABA H H 2.158 4.770 -2.493 1.00 . A A . 2 ABA H 1 1
5 998 1 1 2 ABA HA H 0.093 5.292 -1.730 1.00 . A A . 2 ABA HA 1 1
5 999 1 1 2 ABA HB3 H -0.127 7.731 -0.675 1.00 . A A . 2 ABA HB3 1 1
5 1000 1 1 2 ABA HG1 H -1.314 6.880 -2.629 1.00 . A A . 2 ABA HG1 1 1
5 1001 1 1 2 ABA HG2 H 0.116 7.160 -3.623 1.00 . A A . 2 ABA HG2 1 1
5 1002 1 1 2 ABA HG3 H -0.737 8.525 -2.900 1.00 . A A . 2 ABA HG3 1 1
5 1003 1 1 2 ABA N N 2.127 5.578 -1.935 1.00 . A A . 2 ABA N 1 1
5 1004 1 1 2 ABA O O 1.921 5.717 0.868 1.00 . A A . 2 ABA O 1 1
5 1005 1 1 3 PHE C C 0.314 3.603 2.464 1.00 . A A . 3 PHE C 1 1
5 1006 1 1 3 PHE CA C -0.396 4.925 2.166 1.00 . A A . 3 PHE CA 1 1
5 1007 1 1 3 PHE CB C -1.872 4.853 2.573 1.00 . A A . 3 PHE CB 1 1
5 1008 1 1 3 PHE CD1 C -1.278 5.330 4.968 1.00 . A A . 3 PHE CD1 1 1
5 1009 1 1 3 PHE CD2 C -3.098 3.859 4.520 1.00 . A A . 3 PHE CD2 1 1
5 1010 1 1 3 PHE CE1 C -1.479 5.168 6.325 1.00 . A A . 3 PHE CE1 1 1
5 1011 1 1 3 PHE CE2 C -3.303 3.692 5.875 1.00 . A A . 3 PHE CE2 1 1
5 1012 1 1 3 PHE CG C -2.088 4.679 4.049 1.00 . A A . 3 PHE CG 1 1
5 1013 1 1 3 PHE CZ C -2.490 4.344 6.779 1.00 . A A . 3 PHE CZ 1 1
5 1014 1 1 3 PHE H H -1.074 5.183 0.173 1.00 . A A . 3 PHE H 1 1
5 1015 1 1 3 PHE HA H 0.083 5.710 2.731 1.00 . A A . 3 PHE HA 1 1
5 1016 1 1 3 PHE HB2 H -2.369 5.764 2.274 1.00 . A A . 3 PHE HB2 1 1
5 1017 1 1 3 PHE HB3 H -2.333 4.016 2.068 1.00 . A A . 3 PHE HB3 1 1
5 1018 1 1 3 PHE HD1 H -0.487 5.975 4.615 1.00 . A A . 3 PHE HD1 1 1
5 1019 1 1 3 PHE HD2 H -3.735 3.346 3.815 1.00 . A A . 3 PHE HD2 1 1
5 1020 1 1 3 PHE HE1 H -0.841 5.680 7.030 1.00 . A A . 3 PHE HE1 1 1
5 1021 1 1 3 PHE HE2 H -4.096 3.050 6.226 1.00 . A A . 3 PHE HE2 1 1
5 1022 1 1 3 PHE HZ H -2.648 4.215 7.839 1.00 . A A . 3 PHE HZ 1 1
5 1023 1 1 3 PHE N N -0.278 5.261 0.753 1.00 . A A . 3 PHE N 1 1
5 1024 1 1 3 PHE O O -0.185 2.524 2.139 1.00 . A A . 3 PHE O 1 1
5 1025 1 1 4 ABA C C 3.752 2.749 2.777 1.00 . A A . 4 ABA C 1 1
5 1026 1 1 4 ABA CA C 2.332 2.536 3.310 1.00 . A A . 4 ABA CA 1 1
5 1027 1 1 4 ABA CB C 2.357 2.216 4.828 1.00 . A A . 4 ABA CB 1 1
5 1028 1 1 4 ABA CG C 0.947 2.127 5.397 1.00 . A A . 4 ABA CG 1 1
5 1029 1 1 4 ABA H H 1.879 4.597 3.192 1.00 . A A . 4 ABA H 1 1
5 1030 1 1 4 ABA HA H 1.902 1.688 2.791 1.00 . A A . 4 ABA HA 1 1
5 1031 1 1 4 ABA HB3 H 2.833 1.261 4.964 1.00 . A A . 4 ABA HB3 1 1
5 1032 1 1 4 ABA HG1 H 0.998 2.028 6.471 1.00 . A A . 4 ABA HG1 1 1
5 1033 1 1 4 ABA HG2 H 0.444 1.267 4.981 1.00 . A A . 4 ABA HG2 1 1
5 1034 1 1 4 ABA HG3 H 0.400 3.023 5.142 1.00 . A A . 4 ABA HG3 1 1
5 1035 1 1 4 ABA N N 1.511 3.705 3.023 1.00 . A A . 4 ABA N 1 1
5 1036 1 1 4 ABA O O 3.960 2.741 1.563 1.00 . A A . 4 ABA O 1 1
5 1037 1 1 5 LEU C C 7.139 2.504 3.427 1.00 . A A . 5 LEU C 1 1
5 1038 1 1 5 LEU CA C 6.013 3.534 3.192 1.00 . A A . 5 LEU CA 1 1
5 1039 1 1 5 LEU CB C 6.406 4.865 3.845 1.00 . A A . 5 LEU CB 1 1
5 1040 1 1 5 LEU CD1 C 4.248 6.141 4.086 1.00 . A A . 5 LEU CD1 1 1
5 1041 1 1 5 LEU CD2 C 6.380 7.365 3.665 1.00 . A A . 5 LEU CD2 1 1
5 1042 1 1 5 LEU CG C 5.601 6.090 3.396 1.00 . A A . 5 LEU CG 1 1
5 1043 1 1 5 LEU H H 4.442 3.244 4.594 1.00 . A A . 5 LEU H 1 1
5 1044 1 1 5 LEU HA H 5.936 3.699 2.129 1.00 . A A . 5 LEU HA 1 1
5 1045 1 1 5 LEU HB2 H 6.294 4.759 4.914 1.00 . A A . 5 LEU HB2 1 1
5 1046 1 1 5 LEU HB3 H 7.448 5.049 3.630 1.00 . A A . 5 LEU HB3 1 1
5 1047 1 1 5 LEU HD11 H 3.795 5.161 4.063 1.00 . A A . 5 LEU HD11 1 1
5 1048 1 1 5 LEU HD12 H 3.608 6.847 3.575 1.00 . A A . 5 LEU HD12 1 1
5 1049 1 1 5 LEU HD13 H 4.380 6.452 5.112 1.00 . A A . 5 LEU HD13 1 1
5 1050 1 1 5 LEU HD21 H 6.557 7.460 4.727 1.00 . A A . 5 LEU HD21 1 1
5 1051 1 1 5 LEU HD22 H 5.811 8.213 3.317 1.00 . A A . 5 LEU HD22 1 1
5 1052 1 1 5 LEU HD23 H 7.326 7.325 3.144 1.00 . A A . 5 LEU HD23 1 1
5 1053 1 1 5 LEU HG H 5.427 6.024 2.333 1.00 . A A . 5 LEU HG 1 1
5 1054 1 1 5 LEU N N 4.687 3.114 3.649 1.00 . A A . 5 LEU N 1 1
5 1055 1 1 5 LEU O O 8.044 2.416 2.598 1.00 . A A . 5 LEU O 1 1
5 1056 1 1 6 PRO C C 8.387 -0.314 3.956 1.00 . A A . 6 PRO C 1 1
5 1057 1 1 6 PRO CA C 8.313 0.889 4.885 1.00 . A A . 6 PRO CA 1 1
5 1058 1 1 6 PRO CB C 8.059 0.439 6.325 1.00 . A A . 6 PRO CB 1 1
5 1059 1 1 6 PRO CD C 6.237 1.852 5.691 1.00 . A A . 6 PRO CD 1 1
5 1060 1 1 6 PRO CG C 6.616 0.692 6.566 1.00 . A A . 6 PRO CG 1 1
5 1061 1 1 6 PRO HA H 9.250 1.423 4.838 1.00 . A A . 6 PRO HA 1 1
5 1062 1 1 6 PRO HB2 H 8.296 -0.611 6.422 1.00 . A A . 6 PRO HB2 1 1
5 1063 1 1 6 PRO HB3 H 8.677 1.015 6.998 1.00 . A A . 6 PRO HB3 1 1
5 1064 1 1 6 PRO HD2 H 5.222 1.743 5.338 1.00 . A A . 6 PRO HD2 1 1
5 1065 1 1 6 PRO HD3 H 6.345 2.770 6.221 1.00 . A A . 6 PRO HD3 1 1
5 1066 1 1 6 PRO HG2 H 6.040 -0.182 6.297 1.00 . A A . 6 PRO HG2 1 1
5 1067 1 1 6 PRO HG3 H 6.455 0.939 7.605 1.00 . A A . 6 PRO HG3 1 1
5 1068 1 1 6 PRO N N 7.185 1.782 4.574 1.00 . A A . 6 PRO N 1 1
5 1069 1 1 6 PRO O O 7.379 -0.738 3.395 1.00 . A A . 6 PRO O 1 1
5 1070 1 1 7 GLY C C 10.344 -3.171 3.574 1.00 . A A . 7 GLY C 1 1
5 1071 1 1 7 GLY CA C 9.794 -1.947 2.877 1.00 . A A . 7 GLY CA 1 1
5 1072 1 1 7 GLY H H 10.363 -0.433 4.240 1.00 . A A . 7 GLY H 1 1
5 1073 1 1 7 GLY HA2 H 8.847 -2.202 2.422 1.00 . A A . 7 GLY HA2 1 1
5 1074 1 1 7 GLY HA3 H 10.484 -1.648 2.102 1.00 . A A . 7 GLY HA3 1 1
5 1075 1 1 7 GLY N N 9.594 -0.832 3.775 1.00 . A A . 7 GLY N 1 1
5 1076 1 1 7 GLY O O 11.552 -3.405 3.568 1.00 . A A . 7 GLY O 1 1
5 1077 1 1 8 GLY C C 9.341 -6.419 3.937 1.00 . A A . 8 GLY C 1 1
5 1078 1 1 8 GLY CA C 9.867 -5.237 4.718 1.00 . A A . 8 GLY CA 1 1
5 1079 1 1 8 GLY H H 8.496 -3.776 4.034 1.00 . A A . 8 GLY H 1 1
5 1080 1 1 8 GLY HA2 H 10.946 -5.278 4.745 1.00 . A A . 8 GLY HA2 1 1
5 1081 1 1 8 GLY HA3 H 9.485 -5.283 5.727 1.00 . A A . 8 GLY HA3 1 1
5 1082 1 1 8 GLY N N 9.453 -3.989 4.110 1.00 . A A . 8 GLY N 1 1
5 1083 1 1 8 GLY O O 10.090 -7.326 3.575 1.00 . A A . 8 GLY O 1 1
5 1084 1 1 9 GLY C C 7.037 -6.619 1.383 1.00 . A A . 9 GLY C 1 1
5 1085 1 1 9 GLY CA C 7.490 -7.293 2.654 1.00 . A A . 9 GLY CA 1 1
5 1086 1 1 9 GLY H H 7.572 -5.512 3.779 1.00 . A A . 9 GLY H 1 1
5 1087 1 1 9 GLY HA2 H 8.221 -8.052 2.417 1.00 . A A . 9 GLY HA2 1 1
5 1088 1 1 9 GLY HA3 H 6.639 -7.749 3.137 1.00 . A A . 9 GLY HA3 1 1
5 1089 1 1 9 GLY N N 8.083 -6.319 3.543 1.00 . A A . 9 GLY N 1 1
5 1090 1 1 9 GLY O O 5.927 -6.850 0.900 1.00 . A A . 9 GLY O 1 1
5 1091 1 1 10 GLY C C 7.221 -3.383 0.330 1.00 . A A . 10 GLY C 1 1
5 1092 1 1 10 GLY CA C 7.460 -4.796 -0.150 1.00 . A A . 10 GLY CA 1 1
5 1093 1 1 10 GLY H H 8.654 -5.446 1.459 1.00 . A A . 10 GLY H 1 1
5 1094 1 1 10 GLY HA2 H 8.252 -4.796 -0.884 1.00 . A A . 10 GLY HA2 1 1
5 1095 1 1 10 GLY HA3 H 6.556 -5.175 -0.602 1.00 . A A . 10 GLY HA3 1 1
5 1096 1 1 10 GLY N N 7.836 -5.648 0.953 1.00 . A A . 10 GLY N 1 1
5 1097 1 1 10 GLY O O 8.159 -2.598 0.463 1.00 . A A . 10 GLY O 1 1
5 1098 1 1 11 VAL C C 4.438 -2.070 2.265 1.00 . A A . 11 VAL C 1 1
5 1099 1 1 11 VAL CA C 5.605 -1.856 1.347 1.00 . A A . 11 VAL CA 1 1
5 1100 1 1 11 VAL CB C 5.219 -0.758 0.329 1.00 . A A . 11 VAL CB 1 1
5 1101 1 1 11 VAL CG1 C 6.449 -0.003 -0.148 1.00 . A A . 11 VAL CG1 1 1
5 1102 1 1 11 VAL CG2 C 4.469 -1.360 -0.850 1.00 . A A . 11 VAL CG2 1 1
5 1103 1 1 11 VAL H H 5.313 -3.828 0.664 1.00 . A A . 11 VAL H 1 1
5 1104 1 1 11 VAL HA H 6.433 -1.488 1.953 1.00 . A A . 11 VAL HA 1 1
5 1105 1 1 11 VAL HB H 4.557 -0.051 0.825 1.00 . A A . 11 VAL HB 1 1
5 1106 1 1 11 VAL HG11 H 7.211 -0.708 -0.442 1.00 . A A . 11 VAL HG11 1 1
5 1107 1 1 11 VAL HG12 H 6.822 0.619 0.653 1.00 . A A . 11 VAL HG12 1 1
5 1108 1 1 11 VAL HG13 H 6.186 0.617 -0.992 1.00 . A A . 11 VAL HG13 1 1
5 1109 1 1 11 VAL HG21 H 3.963 -0.576 -1.393 1.00 . A A . 11 VAL HG21 1 1
5 1110 1 1 11 VAL HG22 H 3.744 -2.075 -0.490 1.00 . A A . 11 VAL HG22 1 1
5 1111 1 1 11 VAL HG23 H 5.170 -1.857 -1.506 1.00 . A A . 11 VAL HG23 1 1
5 1112 1 1 11 VAL N N 5.986 -3.115 0.720 1.00 . A A . 11 VAL N 1 1
5 1113 1 1 11 VAL O O 3.570 -2.910 2.018 1.00 . A A . 11 VAL O 1 1
5 1114 1 1 12 CYS C C 2.009 -0.827 3.427 1.00 . A A . 12 CYS C 1 1
5 1115 1 1 12 CYS CA C 3.286 -1.190 4.180 1.00 . A A . 12 CYS CA 1 1
5 1116 1 1 12 CYS CB C 3.635 -0.173 5.259 1.00 . A A . 12 CYS CB 1 1
5 1117 1 1 12 CYS H H 5.120 -0.593 3.372 1.00 . A A . 12 CYS H 1 1
5 1118 1 1 12 CYS HA H 3.169 -2.157 4.635 1.00 . A A . 12 CYS HA 1 1
5 1119 1 1 12 CYS HB2 H 4.110 -0.693 6.071 1.00 . A A . 12 CYS HB2 1 1
5 1120 1 1 12 CYS HB3 H 4.347 0.526 4.844 1.00 . A A . 12 CYS HB3 1 1
5 1121 1 1 12 CYS N N 4.399 -1.250 3.277 1.00 . A A . 12 CYS N 1 1
5 1122 1 1 12 CYS O O 2.060 -0.150 2.396 1.00 . A A . 12 CYS O 1 1
5 1123 1 1 12 CYS SG S 2.250 0.774 5.913 1.00 . A A . 12 CYS SG 1 1
5 1124 1 1 13 ABA C C -0.406 -1.806 1.845 1.00 . A A . 13 ABA C 1 1
5 1125 1 1 13 ABA CA C -0.385 -1.120 3.202 1.00 . A A . 13 ABA CA 1 1
5 1126 1 1 13 ABA CB C -1.587 -1.621 4.032 1.00 . A A . 13 ABA CB 1 1
5 1127 1 1 13 ABA CG C -1.390 -1.304 5.509 1.00 . A A . 13 ABA CG 1 1
5 1128 1 1 13 ABA H H 0.907 -1.955 4.655 1.00 . A A . 13 ABA H 1 1
5 1129 1 1 13 ABA HA H -0.487 -0.053 3.047 1.00 . A A . 13 ABA HA 1 1
5 1130 1 1 13 ABA HB3 H -1.645 -2.693 3.922 1.00 . A A . 13 ABA HB3 1 1
5 1131 1 1 13 ABA HG1 H -0.970 -0.315 5.614 1.00 . A A . 13 ABA HG1 1 1
5 1132 1 1 13 ABA HG2 H -0.719 -2.028 5.947 1.00 . A A . 13 ABA HG2 1 1
5 1133 1 1 13 ABA HG3 H -2.344 -1.347 6.016 1.00 . A A . 13 ABA HG3 1 1
5 1134 1 1 13 ABA N N 0.880 -1.352 3.880 1.00 . A A . 13 ABA N 1 1
5 1135 1 1 13 ABA O O -0.922 -1.256 0.872 1.00 . A A . 13 ABA O 1 1
5 1136 1 1 14 LEU C C -1.114 -4.333 0.173 1.00 . A A . 14 LEU C 1 1
5 1137 1 1 14 LEU CA C 0.247 -3.744 0.550 1.00 . A A . 14 LEU CA 1 1
5 1138 1 1 14 LEU CB C 1.304 -4.841 0.702 1.00 . A A . 14 LEU CB 1 1
5 1139 1 1 14 LEU CD1 C 1.617 -5.288 -1.748 1.00 . A A . 14 LEU CD1 1 1
5 1140 1 1 14 LEU CD2 C 2.324 -6.994 -0.062 1.00 . A A . 14 LEU CD2 1 1
5 1141 1 1 14 LEU CG C 1.318 -5.902 -0.390 1.00 . A A . 14 LEU CG 1 1
5 1142 1 1 14 LEU H H 0.546 -3.393 2.598 1.00 . A A . 14 LEU H 1 1
5 1143 1 1 14 LEU HA H 0.558 -3.064 -0.228 1.00 . A A . 14 LEU HA 1 1
5 1144 1 1 14 LEU HB2 H 2.277 -4.369 0.727 1.00 . A A . 14 LEU HB2 1 1
5 1145 1 1 14 LEU HB3 H 1.143 -5.335 1.649 1.00 . A A . 14 LEU HB3 1 1
5 1146 1 1 14 LEU HD11 H 0.792 -4.656 -2.046 1.00 . A A . 14 LEU HD11 1 1
5 1147 1 1 14 LEU HD12 H 1.751 -6.072 -2.476 1.00 . A A . 14 LEU HD12 1 1
5 1148 1 1 14 LEU HD13 H 2.519 -4.696 -1.685 1.00 . A A . 14 LEU HD13 1 1
5 1149 1 1 14 LEU HD21 H 2.839 -7.291 -0.962 1.00 . A A . 14 LEU HD21 1 1
5 1150 1 1 14 LEU HD22 H 1.805 -7.845 0.355 1.00 . A A . 14 LEU HD22 1 1
5 1151 1 1 14 LEU HD23 H 3.039 -6.620 0.657 1.00 . A A . 14 LEU HD23 1 1
5 1152 1 1 14 LEU HG H 0.339 -6.351 -0.436 1.00 . A A . 14 LEU HG 1 1
5 1153 1 1 14 LEU N N 0.166 -2.996 1.783 1.00 . A A . 14 LEU N 1 1
5 1154 1 1 14 LEU O O -1.411 -5.494 0.453 1.00 . A A . 14 LEU O 1 1
5 1155 1 1 15 ABA C C -4.360 -3.105 -0.430 1.00 . A A . 15 ABA C 1 1
5 1156 1 1 15 ABA CA C -3.234 -3.985 -0.953 1.00 . A A . 15 ABA CA 1 1
5 1157 1 1 15 ABA CB C -3.284 -4.031 -2.499 1.00 . A A . 15 ABA CB 1 1
5 1158 1 1 15 ABA CG C -2.651 -5.330 -2.969 1.00 . A A . 15 ABA CG 1 1
5 1159 1 1 15 ABA H H -1.667 -2.592 -0.640 1.00 . A A . 15 ABA H 1 1
5 1160 1 1 15 ABA HA H -3.379 -4.989 -0.585 1.00 . A A . 15 ABA HA 1 1
5 1161 1 1 15 ABA HB3 H -4.319 -4.030 -2.809 1.00 . A A . 15 ABA HB3 1 1
5 1162 1 1 15 ABA HG1 H -2.407 -5.253 -4.019 1.00 . A A . 15 ABA HG1 1 1
5 1163 1 1 15 ABA HG2 H -3.346 -6.143 -2.819 1.00 . A A . 15 ABA HG2 1 1
5 1164 1 1 15 ABA HG3 H -1.752 -5.517 -2.403 1.00 . A A . 15 ABA HG3 1 1
5 1165 1 1 15 ABA N N -1.936 -3.526 -0.482 1.00 . A A . 15 ABA N 1 1
5 1166 1 1 15 ABA O O -4.114 -2.002 0.070 1.00 . A A . 15 ABA O 1 1
5 1167 1 1 16 DHA C C -6.797 -2.308 1.121 1.00 . A A . 16 DHA C 1 1
5 1168 1 1 16 DHA CA C -6.684 -2.867 -0.175 1.00 . A A . 16 DHA CA 1 1
5 1169 1 1 16 DHA CB C -7.669 -2.672 -1.058 1.00 . A A . 16 DHA CB 1 1
5 1170 1 1 16 DHA H H -5.659 -4.499 -0.961 1.00 . A A . 16 DHA H 1 1
5 1171 1 1 16 DHA HB1 H -7.594 -3.093 -2.049 1.00 . A A . 16 DHA HB1 1 1
5 1172 1 1 16 DHA HB2 H -8.538 -2.095 -0.780 1.00 . A A . 16 DHA HB2 1 1
5 1173 1 1 16 DHA N N -5.587 -3.603 -0.554 1.00 . A A . 16 DHA N 1 1
5 1174 1 1 16 DHA O O -7.536 -1.341 1.324 1.00 . A A . 16 DHA O 1 1
5 1175 1 1 17 GLU C C -5.549 -0.941 3.508 1.00 . A A . 17 GLU C 1 1
5 1176 1 1 17 GLU CA C -6.076 -2.374 3.442 1.00 . A A . 17 GLU CA 1 1
5 1177 1 1 17 GLU CB C -5.241 -3.286 4.349 1.00 . A A . 17 GLU CB 1 1
5 1178 1 1 17 GLU CD C -4.471 -3.832 6.688 1.00 . A A . 17 GLU CD 1 1
5 1179 1 1 17 GLU CG C -5.323 -2.928 5.824 1.00 . A A . 17 GLU CG 1 1
5 1180 1 1 17 GLU H H -5.484 -3.635 1.848 1.00 . A A . 17 GLU H 1 1
5 1181 1 1 17 GLU HA H -7.099 -2.381 3.784 1.00 . A A . 17 GLU HA 1 1
5 1182 1 1 17 GLU HB2 H -5.584 -4.303 4.229 1.00 . A A . 17 GLU HB2 1 1
5 1183 1 1 17 GLU HB3 H -4.206 -3.227 4.045 1.00 . A A . 17 GLU HB3 1 1
5 1184 1 1 17 GLU HG2 H -4.985 -1.910 5.954 1.00 . A A . 17 GLU HG2 1 1
5 1185 1 1 17 GLU HG3 H -6.351 -3.009 6.145 1.00 . A A . 17 GLU HG3 1 1
5 1186 1 1 17 GLU N N -6.062 -2.869 2.075 1.00 . A A . 17 GLU N 1 1
5 1187 1 1 17 GLU O O -6.007 -0.136 4.322 1.00 . A A . 17 GLU O 1 1
5 1188 1 1 17 GLU OE1 O -4.697 -5.060 6.669 1.00 . A A . 17 GLU OE1 1 1
5 1189 1 1 17 GLU OE2 O -3.572 -3.319 7.391 1.00 . A A . 17 GLU OE2 1 1
5 1190 1 1 18 CYS C C -3.915 1.258 1.179 1.00 . A A . 18 CYS C 1 1
5 1191 1 1 18 CYS CA C -4.061 0.736 2.602 1.00 . A A . 18 CYS CA 1 1
5 1192 1 1 18 CYS CB C -2.688 0.791 3.254 1.00 . A A . 18 CYS CB 1 1
5 1193 1 1 18 CYS H H -4.301 -1.273 1.977 1.00 . A A . 18 CYS H 1 1
5 1194 1 1 18 CYS HA H -4.733 1.381 3.145 1.00 . A A . 18 CYS HA 1 1
5 1195 1 1 18 CYS HB2 H -1.972 0.465 2.524 1.00 . A A . 18 CYS HB2 1 1
5 1196 1 1 18 CYS HB3 H -2.472 1.812 3.511 1.00 . A A . 18 CYS HB3 1 1
5 1197 1 1 18 CYS N N -4.607 -0.611 2.632 1.00 . A A . 18 CYS N 1 1
5 1198 1 1 18 CYS O O -4.724 2.062 0.717 1.00 . A A . 18 CYS O 1 1
5 1199 1 1 18 CYS SG S -2.484 -0.219 4.730 1.00 . A A . 18 CYS SG 1 1
5 1200 1 1 19 ILE C C -3.321 1.143 -1.815 1.00 . A A . 19 ILE C 1 1
5 1201 1 1 19 ILE CA C -2.370 1.555 -0.683 1.00 . A A . 19 ILE CA 1 1
5 1202 1 1 19 ILE CB C -0.896 1.197 -1.033 1.00 . A A . 19 ILE CB 1 1
5 1203 1 1 19 ILE CD1 C -0.677 3.044 -2.762 1.00 . A A . 19 ILE CD1 1 1
5 1204 1 1 19 ILE CG1 C -0.130 2.438 -1.501 1.00 . A A . 19 ILE CG1 1 1
5 1205 1 1 19 ILE CG2 C -0.803 0.085 -2.076 1.00 . A A . 19 ILE CG2 1 1
5 1206 1 1 19 ILE H H -2.105 0.411 1.060 1.00 . A A . 19 ILE H 1 1
5 1207 1 1 19 ILE HA H -2.423 2.620 -0.544 1.00 . A A . 19 ILE HA 1 1
5 1208 1 1 19 ILE HB H -0.430 0.835 -0.139 1.00 . A A . 19 ILE HB 1 1
5 1209 1 1 19 ILE HD11 H -0.333 4.062 -2.852 1.00 . A A . 19 ILE HD11 1 1
5 1210 1 1 19 ILE HD12 H -1.753 3.025 -2.724 1.00 . A A . 19 ILE HD12 1 1
5 1211 1 1 19 ILE HD13 H -0.336 2.470 -3.609 1.00 . A A . 19 ILE HD13 1 1
5 1212 1 1 19 ILE HG12 H -0.171 3.192 -0.729 1.00 . A A . 19 ILE HG12 1 1
5 1213 1 1 19 ILE HG13 H 0.902 2.171 -1.680 1.00 . A A . 19 ILE HG13 1 1
5 1214 1 1 19 ILE HG21 H -0.196 0.419 -2.906 1.00 . A A . 19 ILE HG21 1 1
5 1215 1 1 19 ILE HG22 H -1.792 -0.161 -2.431 1.00 . A A . 19 ILE HG22 1 1
5 1216 1 1 19 ILE HG23 H -0.352 -0.789 -1.630 1.00 . A A . 19 ILE HG23 1 1
5 1217 1 1 19 ILE N N -2.765 0.952 0.577 1.00 . A A . 19 ILE N 1 1
5 1218 1 1 19 ILE O O -3.541 1.894 -2.768 1.00 . A A . 19 ILE O 1 1
5 1219 1 1 20 TEE CA C -4.747 -0.499 -2.651 1.00 . A A . 20 TEE CA 1 1
5 1220 1 1 20 TEE CB C -4.310 -1.521 -3.516 1.00 . A A . 20 TEE CB 1 1
5 1221 1 1 20 TEE HA H -4.906 -1.354 -2.008 1.00 . A A . 20 TEE HA 1 1
5 1222 1 1 20 TEE HB2 H -4.862 -1.737 -4.421 1.00 . A A . 20 TEE HB2 1 1
5 1223 1 1 20 TEE HN1 H -3.680 -0.552 -0.872 1.00 . A A . 20 TEE HN1 1 1
5 1224 1 1 20 TEE N N -3.900 -0.042 -1.683 1.00 . A A . 20 TEE N 1 1
5 1225 1 1 20 TEE SG S -3.051 -2.786 -3.789 1.00 . A A . 20 TEE SG 1 1
6 1226 1 1 1 CYS C C 3.089 6.793 -1.731 1.00 . A A . 1 CYS C 1 1
6 1227 1 1 1 CYS CA C 2.486 7.992 -1.003 1.00 . A A . 1 CYS CA 1 1
6 1228 1 1 1 CYS CB C 1.800 8.929 -1.996 1.00 . A A . 1 CYS CB 1 1
6 1229 1 1 1 CYS H1 H 3.325 8.708 0.767 1.00 . A A . 1 CYS H1 1 1
6 1230 1 1 1 CYS H2 H 3.527 9.744 -0.560 1.00 . A A . 1 CYS H2 1 1
6 1231 1 1 1 CYS H3 H 4.466 8.336 -0.434 1.00 . A A . 1 CYS H3 1 1
6 1232 1 1 1 CYS HA H 1.755 7.632 -0.295 1.00 . A A . 1 CYS HA 1 1
6 1233 1 1 1 CYS HB2 H 1.283 9.702 -1.448 1.00 . A A . 1 CYS HB2 1 1
6 1234 1 1 1 CYS HB3 H 2.552 9.385 -2.624 1.00 . A A . 1 CYS HB3 1 1
6 1235 1 1 1 CYS N N 3.521 8.745 -0.257 1.00 . A A . 1 CYS N 1 1
6 1236 1 1 1 CYS O O 4.258 6.829 -2.116 1.00 . A A . 1 CYS O 1 1
6 1237 1 1 1 CYS SG S 0.610 8.091 -3.051 1.00 . A A . 1 CYS SG 1 1
6 1238 1 1 2 ABA C C 0.834 5.519 0.094 1.00 . A A . 2 ABA C 1 1
6 1239 1 1 2 ABA CA C 0.925 5.618 -1.427 1.00 . A A . 2 ABA CA 1 1
6 1240 1 1 2 ABA CB C 0.061 6.795 -1.925 1.00 . A A . 2 ABA CB 1 1
6 1241 1 1 2 ABA CG C -0.561 6.462 -3.269 1.00 . A A . 2 ABA CG 1 1
6 1242 1 1 2 ABA H H 2.702 4.931 -2.349 1.00 . A A . 2 ABA H 1 1
6 1243 1 1 2 ABA HA H 0.510 4.711 -1.844 1.00 . A A . 2 ABA HA 1 1
6 1244 1 1 2 ABA HB3 H -0.738 6.952 -1.216 1.00 . A A . 2 ABA HB3 1 1
6 1245 1 1 2 ABA HG1 H -1.115 7.315 -3.632 1.00 . A A . 2 ABA HG1 1 1
6 1246 1 1 2 ABA HG2 H -1.229 5.621 -3.156 1.00 . A A . 2 ABA HG2 1 1
6 1247 1 1 2 ABA HG3 H 0.219 6.212 -3.973 1.00 . A A . 2 ABA HG3 1 1
6 1248 1 1 2 ABA N N 2.317 5.707 -1.891 1.00 . A A . 2 ABA N 1 1
6 1249 1 1 2 ABA O O 1.830 5.700 0.799 1.00 . A A . 2 ABA O 1 1
6 1250 1 1 3 PHE C C 0.125 3.527 2.361 1.00 . A A . 3 PHE C 1 1
6 1251 1 1 3 PHE CA C -0.508 4.862 1.997 1.00 . A A . 3 PHE CA 1 1
6 1252 1 1 3 PHE CB C -1.994 4.872 2.358 1.00 . A A . 3 PHE CB 1 1
6 1253 1 1 3 PHE CD1 C -1.472 5.387 4.759 1.00 . A A . 3 PHE CD1 1 1
6 1254 1 1 3 PHE CD2 C -3.306 3.944 4.281 1.00 . A A . 3 PHE CD2 1 1
6 1255 1 1 3 PHE CE1 C -1.719 5.257 6.114 1.00 . A A . 3 PHE CE1 1 1
6 1256 1 1 3 PHE CE2 C -3.558 3.810 5.633 1.00 . A A . 3 PHE CE2 1 1
6 1257 1 1 3 PHE CG C -2.263 4.731 3.830 1.00 . A A . 3 PHE CG 1 1
6 1258 1 1 3 PHE CZ C -2.763 4.467 6.552 1.00 . A A . 3 PHE CZ 1 1
6 1259 1 1 3 PHE H H -1.063 4.894 -0.040 1.00 . A A . 3 PHE H 1 1
6 1260 1 1 3 PHE HA H -0.007 5.648 2.541 1.00 . A A . 3 PHE HA 1 1
6 1261 1 1 3 PHE HB2 H -2.429 5.804 2.031 1.00 . A A . 3 PHE HB2 1 1
6 1262 1 1 3 PHE HB3 H -2.487 4.055 1.850 1.00 . A A . 3 PHE HB3 1 1
6 1263 1 1 3 PHE HD1 H -0.655 6.005 4.416 1.00 . A A . 3 PHE HD1 1 1
6 1264 1 1 3 PHE HD2 H -3.926 3.428 3.564 1.00 . A A . 3 PHE HD2 1 1
6 1265 1 1 3 PHE HE1 H -1.094 5.774 6.829 1.00 . A A . 3 PHE HE1 1 1
6 1266 1 1 3 PHE HE2 H -4.374 3.191 5.971 1.00 . A A . 3 PHE HE2 1 1
6 1267 1 1 3 PHE HZ H -2.957 4.363 7.608 1.00 . A A . 3 PHE HZ 1 1
6 1268 1 1 3 PHE N N -0.329 5.114 0.581 1.00 . A A . 3 PHE N 1 1
6 1269 1 1 3 PHE O O -0.410 2.467 2.041 1.00 . A A . 3 PHE O 1 1
6 1270 1 1 4 ABA C C 3.500 2.501 2.583 1.00 . A A . 4 ABA C 1 1
6 1271 1 1 4 ABA CA C 2.097 2.384 3.181 1.00 . A A . 4 ABA CA 1 1
6 1272 1 1 4 ABA CB C 2.171 2.095 4.702 1.00 . A A . 4 ABA CB 1 1
6 1273 1 1 4 ABA CG C 0.778 2.024 5.311 1.00 . A A . 4 ABA CG 1 1
6 1274 1 1 4 ABA H H 1.758 4.462 3.012 1.00 . A A . 4 ABA H 1 1
6 1275 1 1 4 ABA HA H 1.602 1.549 2.703 1.00 . A A . 4 ABA HA 1 1
6 1276 1 1 4 ABA HB3 H 2.645 1.137 4.842 1.00 . A A . 4 ABA HB3 1 1
6 1277 1 1 4 ABA HG1 H 0.833 2.250 6.365 1.00 . A A . 4 ABA HG1 1 1
6 1278 1 1 4 ABA HG2 H 0.375 1.030 5.176 1.00 . A A . 4 ABA HG2 1 1
6 1279 1 1 4 ABA HG3 H 0.137 2.741 4.821 1.00 . A A . 4 ABA HG3 1 1
6 1280 1 1 4 ABA N N 1.331 3.587 2.900 1.00 . A A . 4 ABA N 1 1
6 1281 1 1 4 ABA O O 3.665 2.410 1.366 1.00 . A A . 4 ABA O 1 1
6 1282 1 1 5 LEU C C 6.894 2.168 3.369 1.00 . A A . 5 LEU C 1 1
6 1283 1 1 5 LEU CA C 5.817 3.167 2.902 1.00 . A A . 5 LEU CA 1 1
6 1284 1 1 5 LEU CB C 6.239 4.587 3.313 1.00 . A A . 5 LEU CB 1 1
6 1285 1 1 5 LEU CD1 C 4.070 5.855 3.477 1.00 . A A . 5 LEU CD1 1 1
6 1286 1 1 5 LEU CD2 C 6.165 7.047 2.834 1.00 . A A . 5 LEU CD2 1 1
6 1287 1 1 5 LEU CG C 5.398 5.737 2.746 1.00 . A A . 5 LEU CG 1 1
6 1288 1 1 5 LEU H H 4.263 3.045 4.345 1.00 . A A . 5 LEU H 1 1
6 1289 1 1 5 LEU HA H 5.768 3.129 1.824 1.00 . A A . 5 LEU HA 1 1
6 1290 1 1 5 LEU HB2 H 6.204 4.648 4.391 1.00 . A A . 5 LEU HB2 1 1
6 1291 1 1 5 LEU HB3 H 7.262 4.735 2.999 1.00 . A A . 5 LEU HB3 1 1
6 1292 1 1 5 LEU HD11 H 3.961 5.022 4.160 1.00 . A A . 5 LEU HD11 1 1
6 1293 1 1 5 LEU HD12 H 3.261 5.841 2.760 1.00 . A A . 5 LEU HD12 1 1
6 1294 1 1 5 LEU HD13 H 4.045 6.781 4.031 1.00 . A A . 5 LEU HD13 1 1
6 1295 1 1 5 LEU HD21 H 6.959 6.950 3.560 1.00 . A A . 5 LEU HD21 1 1
6 1296 1 1 5 LEU HD22 H 5.494 7.837 3.139 1.00 . A A . 5 LEU HD22 1 1
6 1297 1 1 5 LEU HD23 H 6.586 7.284 1.869 1.00 . A A . 5 LEU HD23 1 1
6 1298 1 1 5 LEU HG H 5.189 5.542 1.705 1.00 . A A . 5 LEU HG 1 1
6 1299 1 1 5 LEU N N 4.474 2.862 3.405 1.00 . A A . 5 LEU N 1 1
6 1300 1 1 5 LEU O O 7.793 1.846 2.594 1.00 . A A . 5 LEU O 1 1
6 1301 1 1 6 PRO C C 8.096 -0.442 4.506 1.00 . A A . 6 PRO C 1 1
6 1302 1 1 6 PRO CA C 7.988 0.910 5.201 1.00 . A A . 6 PRO CA 1 1
6 1303 1 1 6 PRO CB C 7.599 0.720 6.670 1.00 . A A . 6 PRO CB 1 1
6 1304 1 1 6 PRO CD C 5.984 2.177 5.720 1.00 . A A . 6 PRO CD 1 1
6 1305 1 1 6 PRO CG C 6.742 1.893 6.982 1.00 . A A . 6 PRO CG 1 1
6 1306 1 1 6 PRO HA H 8.943 1.410 5.147 1.00 . A A . 6 PRO HA 1 1
6 1307 1 1 6 PRO HB2 H 7.059 -0.209 6.786 1.00 . A A . 6 PRO HB2 1 1
6 1308 1 1 6 PRO HB3 H 8.490 0.705 7.281 1.00 . A A . 6 PRO HB3 1 1
6 1309 1 1 6 PRO HD2 H 5.073 1.602 5.684 1.00 . A A . 6 PRO HD2 1 1
6 1310 1 1 6 PRO HD3 H 5.763 3.221 5.633 1.00 . A A . 6 PRO HD3 1 1
6 1311 1 1 6 PRO HG2 H 6.062 1.649 7.787 1.00 . A A . 6 PRO HG2 1 1
6 1312 1 1 6 PRO HG3 H 7.356 2.737 7.250 1.00 . A A . 6 PRO HG3 1 1
6 1313 1 1 6 PRO N N 6.911 1.758 4.661 1.00 . A A . 6 PRO N 1 1
6 1314 1 1 6 PRO O O 7.094 -1.018 4.070 1.00 . A A . 6 PRO O 1 1
6 1315 1 1 7 GLY C C 9.212 -3.388 4.612 1.00 . A A . 7 GLY C 1 1
6 1316 1 1 7 GLY CA C 9.577 -2.200 3.748 1.00 . A A . 7 GLY CA 1 1
6 1317 1 1 7 GLY H H 10.078 -0.406 4.745 1.00 . A A . 7 GLY H 1 1
6 1318 1 1 7 GLY HA2 H 8.999 -2.248 2.837 1.00 . A A . 7 GLY HA2 1 1
6 1319 1 1 7 GLY HA3 H 10.626 -2.261 3.499 1.00 . A A . 7 GLY HA3 1 1
6 1320 1 1 7 GLY N N 9.323 -0.931 4.395 1.00 . A A . 7 GLY N 1 1
6 1321 1 1 7 GLY O O 10.083 -4.119 5.083 1.00 . A A . 7 GLY O 1 1
6 1322 1 1 8 GLY C C 6.661 -5.702 4.496 1.00 . A A . 8 GLY C 1 1
6 1323 1 1 8 GLY CA C 7.455 -4.819 5.426 1.00 . A A . 8 GLY CA 1 1
6 1324 1 1 8 GLY H H 7.277 -3.059 4.271 1.00 . A A . 8 GLY H 1 1
6 1325 1 1 8 GLY HA2 H 8.307 -5.369 5.804 1.00 . A A . 8 GLY HA2 1 1
6 1326 1 1 8 GLY HA3 H 6.828 -4.518 6.250 1.00 . A A . 8 GLY HA3 1 1
6 1327 1 1 8 GLY N N 7.922 -3.642 4.728 1.00 . A A . 8 GLY N 1 1
6 1328 1 1 8 GLY O O 5.434 -5.619 4.456 1.00 . A A . 8 GLY O 1 1
6 1329 1 1 9 GLY C C 6.617 -6.312 1.319 1.00 . A A . 9 GLY C 1 1
6 1330 1 1 9 GLY CA C 6.709 -7.150 2.573 1.00 . A A . 9 GLY CA 1 1
6 1331 1 1 9 GLY H H 8.349 -6.331 3.630 1.00 . A A . 9 GLY H 1 1
6 1332 1 1 9 GLY HA2 H 7.273 -8.048 2.361 1.00 . A A . 9 GLY HA2 1 1
6 1333 1 1 9 GLY HA3 H 5.714 -7.420 2.892 1.00 . A A . 9 GLY HA3 1 1
6 1334 1 1 9 GLY N N 7.368 -6.412 3.629 1.00 . A A . 9 GLY N 1 1
6 1335 1 1 9 GLY O O 5.556 -6.207 0.704 1.00 . A A . 9 GLY O 1 1
6 1336 1 1 10 GLY C C 7.293 -3.245 0.506 1.00 . A A . 10 GLY C 1 1
6 1337 1 1 10 GLY CA C 7.668 -4.606 -0.020 1.00 . A A . 10 GLY CA 1 1
6 1338 1 1 10 GLY H H 8.457 -5.607 1.661 1.00 . A A . 10 GLY H 1 1
6 1339 1 1 10 GLY HA2 H 8.647 -4.559 -0.473 1.00 . A A . 10 GLY HA2 1 1
6 1340 1 1 10 GLY HA3 H 6.945 -4.908 -0.762 1.00 . A A . 10 GLY HA3 1 1
6 1341 1 1 10 GLY N N 7.684 -5.574 1.051 1.00 . A A . 10 GLY N 1 1
6 1342 1 1 10 GLY O O 8.154 -2.463 0.908 1.00 . A A . 10 GLY O 1 1
6 1343 1 1 11 VAL C C 4.412 -2.136 2.256 1.00 . A A . 11 VAL C 1 1
6 1344 1 1 11 VAL CA C 5.484 -1.813 1.252 1.00 . A A . 11 VAL CA 1 1
6 1345 1 1 11 VAL CB C 4.905 -0.815 0.221 1.00 . A A . 11 VAL CB 1 1
6 1346 1 1 11 VAL CG1 C 6.019 -0.161 -0.582 1.00 . A A . 11 VAL CG1 1 1
6 1347 1 1 11 VAL CG2 C 3.915 -1.507 -0.710 1.00 . A A . 11 VAL CG2 1 1
6 1348 1 1 11 VAL H H 5.370 -3.735 0.392 1.00 . A A . 11 VAL H 1 1
6 1349 1 1 11 VAL HA H 6.292 -1.317 1.786 1.00 . A A . 11 VAL HA 1 1
6 1350 1 1 11 VAL HB H 4.369 -0.039 0.763 1.00 . A A . 11 VAL HB 1 1
6 1351 1 1 11 VAL HG11 H 6.472 0.627 0.001 1.00 . A A . 11 VAL HG11 1 1
6 1352 1 1 11 VAL HG12 H 5.610 0.256 -1.492 1.00 . A A . 11 VAL HG12 1 1
6 1353 1 1 11 VAL HG13 H 6.766 -0.900 -0.832 1.00 . A A . 11 VAL HG13 1 1
6 1354 1 1 11 VAL HG21 H 3.558 -2.415 -0.246 1.00 . A A . 11 VAL HG21 1 1
6 1355 1 1 11 VAL HG22 H 4.406 -1.747 -1.641 1.00 . A A . 11 VAL HG22 1 1
6 1356 1 1 11 VAL HG23 H 3.080 -0.849 -0.901 1.00 . A A . 11 VAL HG23 1 1
6 1357 1 1 11 VAL N N 6.000 -3.022 0.635 1.00 . A A . 11 VAL N 1 1
6 1358 1 1 11 VAL O O 3.594 -3.039 2.066 1.00 . A A . 11 VAL O 1 1
6 1359 1 1 12 CYS C C 1.976 -0.966 3.449 1.00 . A A . 12 CYS C 1 1
6 1360 1 1 12 CYS CA C 3.279 -1.258 4.182 1.00 . A A . 12 CYS CA 1 1
6 1361 1 1 12 CYS CB C 3.618 -0.183 5.207 1.00 . A A . 12 CYS CB 1 1
6 1362 1 1 12 CYS H H 5.009 -0.554 3.259 1.00 . A A . 12 CYS H 1 1
6 1363 1 1 12 CYS HA H 3.220 -2.216 4.669 1.00 . A A . 12 CYS HA 1 1
6 1364 1 1 12 CYS HB2 H 4.148 -0.648 6.017 1.00 . A A . 12 CYS HB2 1 1
6 1365 1 1 12 CYS HB3 H 4.275 0.535 4.737 1.00 . A A . 12 CYS HB3 1 1
6 1366 1 1 12 CYS N N 4.359 -1.286 3.242 1.00 . A A . 12 CYS N 1 1
6 1367 1 1 12 CYS O O 1.990 -0.302 2.415 1.00 . A A . 12 CYS O 1 1
6 1368 1 1 12 CYS SG S 2.212 0.718 5.879 1.00 . A A . 12 CYS SG 1 1
6 1369 1 1 13 ABA C C -0.436 -1.877 1.882 1.00 . A A . 13 ABA C 1 1
6 1370 1 1 13 ABA CA C -0.407 -1.254 3.270 1.00 . A A . 13 ABA CA 1 1
6 1371 1 1 13 ABA CB C -1.618 -1.780 4.073 1.00 . A A . 13 ABA CB 1 1
6 1372 1 1 13 ABA CG C -1.341 -1.733 5.570 1.00 . A A . 13 ABA CG 1 1
6 1373 1 1 13 ABA H H 0.903 -2.070 4.729 1.00 . A A . 13 ABA H 1 1
6 1374 1 1 13 ABA HA H -0.504 -0.182 3.165 1.00 . A A . 13 ABA HA 1 1
6 1375 1 1 13 ABA HB3 H -1.780 -2.814 3.792 1.00 . A A . 13 ABA HB3 1 1
6 1376 1 1 13 ABA HG1 H -0.744 -2.588 5.855 1.00 . A A . 13 ABA HG1 1 1
6 1377 1 1 13 ABA HG2 H -2.276 -1.752 6.109 1.00 . A A . 13 ABA HG2 1 1
6 1378 1 1 13 ABA HG3 H -0.805 -0.826 5.806 1.00 . A A . 13 ABA HG3 1 1
6 1379 1 1 13 ABA N N 0.866 -1.500 3.930 1.00 . A A . 13 ABA N 1 1
6 1380 1 1 13 ABA O O -1.010 -1.309 0.958 1.00 . A A . 13 ABA O 1 1
6 1381 1 1 14 LEU C C -1.126 -4.317 0.106 1.00 . A A . 14 LEU C 1 1
6 1382 1 1 14 LEU CA C 0.231 -3.716 0.469 1.00 . A A . 14 LEU CA 1 1
6 1383 1 1 14 LEU CB C 1.309 -4.798 0.523 1.00 . A A . 14 LEU CB 1 1
6 1384 1 1 14 LEU CD1 C 1.699 -4.979 -1.944 1.00 . A A . 14 LEU CD1 1 1
6 1385 1 1 14 LEU CD2 C 2.315 -6.879 -0.434 1.00 . A A . 14 LEU CD2 1 1
6 1386 1 1 14 LEU CG C 1.341 -5.737 -0.673 1.00 . A A . 14 LEU CG 1 1
6 1387 1 1 14 LEU H H 0.589 -3.466 2.517 1.00 . A A . 14 LEU H 1 1
6 1388 1 1 14 LEU HA H 0.500 -2.987 -0.282 1.00 . A A . 14 LEU HA 1 1
6 1389 1 1 14 LEU HB2 H 2.270 -4.313 0.600 1.00 . A A . 14 LEU HB2 1 1
6 1390 1 1 14 LEU HB3 H 1.152 -5.390 1.413 1.00 . A A . 14 LEU HB3 1 1
6 1391 1 1 14 LEU HD11 H 2.290 -5.615 -2.587 1.00 . A A . 14 LEU HD11 1 1
6 1392 1 1 14 LEU HD12 H 2.269 -4.099 -1.688 1.00 . A A . 14 LEU HD12 1 1
6 1393 1 1 14 LEU HD13 H 0.795 -4.687 -2.456 1.00 . A A . 14 LEU HD13 1 1
6 1394 1 1 14 LEU HD21 H 3.268 -6.640 -0.881 1.00 . A A . 14 LEU HD21 1 1
6 1395 1 1 14 LEU HD22 H 1.925 -7.783 -0.879 1.00 . A A . 14 LEU HD22 1 1
6 1396 1 1 14 LEU HD23 H 2.444 -7.029 0.628 1.00 . A A . 14 LEU HD23 1 1
6 1397 1 1 14 LEU HG H 0.356 -6.152 -0.795 1.00 . A A . 14 LEU HG 1 1
6 1398 1 1 14 LEU N N 0.172 -3.041 1.741 1.00 . A A . 14 LEU N 1 1
6 1399 1 1 14 LEU O O -1.414 -5.476 0.407 1.00 . A A . 14 LEU O 1 1
6 1400 1 1 15 ABA C C -4.376 -3.059 -0.411 1.00 . A A . 15 ABA C 1 1
6 1401 1 1 15 ABA CA C -3.278 -3.962 -0.950 1.00 . A A . 15 ABA CA 1 1
6 1402 1 1 15 ABA CB C -3.370 -4.020 -2.494 1.00 . A A . 15 ABA CB 1 1
6 1403 1 1 15 ABA CG C -2.944 -5.399 -2.975 1.00 . A A . 15 ABA CG 1 1
6 1404 1 1 15 ABA H H -1.709 -2.571 -0.661 1.00 . A A . 15 ABA H 1 1
6 1405 1 1 15 ABA HA H -3.426 -4.961 -0.567 1.00 . A A . 15 ABA HA 1 1
6 1406 1 1 15 ABA HB3 H -4.403 -3.873 -2.774 1.00 . A A . 15 ABA HB3 1 1
6 1407 1 1 15 ABA HG1 H -2.864 -6.068 -2.131 1.00 . A A . 15 ABA HG1 1 1
6 1408 1 1 15 ABA HG2 H -1.985 -5.329 -3.470 1.00 . A A . 15 ABA HG2 1 1
6 1409 1 1 15 ABA HG3 H -3.678 -5.781 -3.670 1.00 . A A . 15 ABA HG3 1 1
6 1410 1 1 15 ABA N N -1.965 -3.509 -0.519 1.00 . A A . 15 ABA N 1 1
6 1411 1 1 15 ABA O O -4.099 -1.958 0.071 1.00 . A A . 15 ABA O 1 1
6 1412 1 1 16 DHA C C -6.769 -2.197 1.180 1.00 . A A . 16 DHA C 1 1
6 1413 1 1 16 DHA CA C -6.688 -2.766 -0.112 1.00 . A A . 16 DHA CA 1 1
6 1414 1 1 16 DHA CB C -7.681 -2.547 -0.983 1.00 . A A . 16 DHA CB 1 1
6 1415 1 1 16 DHA H H -5.713 -4.441 -0.879 1.00 . A A . 16 DHA H 1 1
6 1416 1 1 16 DHA HB1 H -7.636 -2.972 -1.975 1.00 . A A . 16 DHA HB1 1 1
6 1417 1 1 16 DHA HB2 H -8.527 -1.940 -0.695 1.00 . A A . 16 DHA HB2 1 1
6 1418 1 1 16 DHA N N -5.617 -3.533 -0.499 1.00 . A A . 16 DHA N 1 1
6 1419 1 1 16 DHA O O -7.432 -1.174 1.373 1.00 . A A . 16 DHA O 1 1
6 1420 1 1 17 GLU C C -5.505 -0.870 3.535 1.00 . A A . 17 GLU C 1 1
6 1421 1 1 17 GLU CA C -6.054 -2.292 3.498 1.00 . A A . 17 GLU CA 1 1
6 1422 1 1 17 GLU CB C -5.202 -3.201 4.387 1.00 . A A . 17 GLU CB 1 1
6 1423 1 1 17 GLU CD C -6.611 -3.025 6.476 1.00 . A A . 17 GLU CD 1 1
6 1424 1 1 17 GLU CG C -5.238 -2.842 5.864 1.00 . A A . 17 GLU CG 1 1
6 1425 1 1 17 GLU H H -5.547 -3.601 1.912 1.00 . A A . 17 GLU H 1 1
6 1426 1 1 17 GLU HA H -7.068 -2.287 3.868 1.00 . A A . 17 GLU HA 1 1
6 1427 1 1 17 GLU HB2 H -5.552 -4.217 4.278 1.00 . A A . 17 GLU HB2 1 1
6 1428 1 1 17 GLU HB3 H -4.176 -3.150 4.052 1.00 . A A . 17 GLU HB3 1 1
6 1429 1 1 17 GLU HG2 H -4.539 -3.474 6.392 1.00 . A A . 17 GLU HG2 1 1
6 1430 1 1 17 GLU HG3 H -4.945 -1.809 5.978 1.00 . A A . 17 GLU HG3 1 1
6 1431 1 1 17 GLU N N -6.074 -2.799 2.135 1.00 . A A . 17 GLU N 1 1
6 1432 1 1 17 GLU O O -5.982 -0.030 4.299 1.00 . A A . 17 GLU O 1 1
6 1433 1 1 17 GLU OE1 O -7.527 -2.247 6.145 1.00 . A A . 17 GLU OE1 1 1
6 1434 1 1 17 GLU OE2 O -6.783 -3.960 7.286 1.00 . A A . 17 GLU OE2 1 1
6 1435 1 1 18 CYS C C -3.758 1.244 1.213 1.00 . A A . 18 CYS C 1 1
6 1436 1 1 18 CYS CA C -3.928 0.736 2.643 1.00 . A A . 18 CYS CA 1 1
6 1437 1 1 18 CYS CB C -2.557 0.736 3.303 1.00 . A A . 18 CYS CB 1 1
6 1438 1 1 18 CYS H H -4.212 -1.282 2.065 1.00 . A A . 18 CYS H 1 1
6 1439 1 1 18 CYS HA H -4.575 1.412 3.179 1.00 . A A . 18 CYS HA 1 1
6 1440 1 1 18 CYS HB2 H -1.852 0.395 2.570 1.00 . A A . 18 CYS HB2 1 1
6 1441 1 1 18 CYS HB3 H -2.305 1.748 3.575 1.00 . A A . 18 CYS HB3 1 1
6 1442 1 1 18 CYS N N -4.524 -0.591 2.686 1.00 . A A . 18 CYS N 1 1
6 1443 1 1 18 CYS O O -4.509 2.107 0.759 1.00 . A A . 18 CYS O 1 1
6 1444 1 1 18 CYS SG S -2.392 -0.304 4.775 1.00 . A A . 18 CYS SG 1 1
6 1445 1 1 19 ILE C C -3.205 1.149 -1.795 1.00 . A A . 19 ILE C 1 1
6 1446 1 1 19 ILE CA C -2.206 1.441 -0.667 1.00 . A A . 19 ILE CA 1 1
6 1447 1 1 19 ILE CB C -0.779 0.941 -1.048 1.00 . A A . 19 ILE CB 1 1
6 1448 1 1 19 ILE CD1 C -0.338 2.528 -2.994 1.00 . A A . 19 ILE CD1 1 1
6 1449 1 1 19 ILE CG1 C 0.074 2.082 -1.616 1.00 . A A . 19 ILE CG1 1 1
6 1450 1 1 19 ILE CG2 C -0.823 -0.230 -2.029 1.00 . A A . 19 ILE CG2 1 1
6 1451 1 1 19 ILE H H -2.013 0.272 1.075 1.00 . A A . 19 ILE H 1 1
6 1452 1 1 19 ILE HA H -2.148 2.505 -0.513 1.00 . A A . 19 ILE HA 1 1
6 1453 1 1 19 ILE HB H -0.310 0.587 -0.152 1.00 . A A . 19 ILE HB 1 1
6 1454 1 1 19 ILE HD11 H -0.978 1.777 -3.430 1.00 . A A . 19 ILE HD11 1 1
6 1455 1 1 19 ILE HD12 H 0.541 2.656 -3.607 1.00 . A A . 19 ILE HD12 1 1
6 1456 1 1 19 ILE HD13 H -0.873 3.462 -2.924 1.00 . A A . 19 ILE HD13 1 1
6 1457 1 1 19 ILE HG12 H 0.002 2.934 -0.959 1.00 . A A . 19 ILE HG12 1 1
6 1458 1 1 19 ILE HG13 H 1.103 1.760 -1.665 1.00 . A A . 19 ILE HG13 1 1
6 1459 1 1 19 ILE HG21 H 0.131 -0.317 -2.529 1.00 . A A . 19 ILE HG21 1 1
6 1460 1 1 19 ILE HG22 H -1.599 -0.059 -2.763 1.00 . A A . 19 ILE HG22 1 1
6 1461 1 1 19 ILE HG23 H -1.034 -1.142 -1.491 1.00 . A A . 19 ILE HG23 1 1
6 1462 1 1 19 ILE N N -2.639 0.858 0.597 1.00 . A A . 19 ILE N 1 1
6 1463 1 1 19 ILE O O -3.376 1.951 -2.713 1.00 . A A . 19 ILE O 1 1
6 1464 1 1 20 TEE CA C -4.772 -0.337 -2.675 1.00 . A A . 20 TEE CA 1 1
6 1465 1 1 20 TEE CB C -4.605 -1.555 -3.363 1.00 . A A . 20 TEE CB 1 1
6 1466 1 1 20 TEE HA H -5.013 -1.302 -2.255 1.00 . A A . 20 TEE HA 1 1
6 1467 1 1 20 TEE HB2 H -3.673 -1.768 -3.868 1.00 . A A . 20 TEE HB2 1 1
6 1468 1 1 20 TEE HN1 H -3.694 -0.547 -0.910 1.00 . A A . 20 TEE HN1 1 1
6 1469 1 1 20 TEE N N -3.879 0.011 -1.699 1.00 . A A . 20 TEE N 1 1
6 1470 1 1 20 TEE SG S -4.563 -3.333 -3.671 1.00 . A A . 20 TEE SG 1 1
7 1471 1 1 1 CYS C C 3.339 7.773 -1.757 1.00 . A A . 1 CYS C 1 1
7 1472 1 1 1 CYS CA C 2.222 8.213 -2.725 1.00 . A A . 1 CYS CA 1 1
7 1473 1 1 1 CYS CB C 0.865 7.597 -2.380 1.00 . A A . 1 CYS CB 1 1
7 1474 1 1 1 CYS H1 H 3.128 8.516 -4.570 1.00 . A A . 1 CYS H1 1 1
7 1475 1 1 1 CYS H2 H 1.694 7.620 -4.650 1.00 . A A . 1 CYS H2 1 1
7 1476 1 1 1 CYS H3 H 3.119 6.897 -4.070 1.00 . A A . 1 CYS H3 1 1
7 1477 1 1 1 CYS HA H 2.145 9.290 -2.711 1.00 . A A . 1 CYS HA 1 1
7 1478 1 1 1 CYS HB2 H 0.292 7.486 -3.289 1.00 . A A . 1 CYS HB2 1 1
7 1479 1 1 1 CYS HB3 H 1.027 6.620 -1.948 1.00 . A A . 1 CYS HB3 1 1
7 1480 1 1 1 CYS N N 2.563 7.781 -4.097 1.00 . A A . 1 CYS N 1 1
7 1481 1 1 1 CYS O O 4.494 7.704 -2.173 1.00 . A A . 1 CYS O 1 1
7 1482 1 1 1 CYS SG S -0.110 8.573 -1.218 1.00 . A A . 1 CYS SG 1 1
7 1483 1 1 2 ABA C C 1.688 6.939 1.488 1.00 . A A . 2 ABA C 1 1
7 1484 1 1 2 ABA CA C 1.692 7.479 0.068 1.00 . A A . 2 ABA CA 1 1
7 1485 1 1 2 ABA CB C 1.116 8.909 0.060 1.00 . A A . 2 ABA CB 1 1
7 1486 1 1 2 ABA CG C 2.144 9.895 0.581 1.00 . A A . 2 ABA CG 1 1
7 1487 1 1 2 ABA H H 3.771 7.159 0.103 1.00 . A A . 2 ABA H 1 1
7 1488 1 1 2 ABA HA H 1.062 6.856 -0.532 1.00 . A A . 2 ABA HA 1 1
7 1489 1 1 2 ABA HB3 H 0.261 8.935 0.719 1.00 . A A . 2 ABA HB3 1 1
7 1490 1 1 2 ABA HG1 H 1.845 10.249 1.556 1.00 . A A . 2 ABA HG1 1 1
7 1491 1 1 2 ABA HG2 H 2.221 10.726 -0.100 1.00 . A A . 2 ABA HG2 1 1
7 1492 1 1 2 ABA HG3 H 3.100 9.400 0.655 1.00 . A A . 2 ABA HG3 1 1
7 1493 1 1 2 ABA N N 3.036 7.431 -0.491 1.00 . A A . 2 ABA N 1 1
7 1494 1 1 2 ABA O O 2.679 7.064 2.212 1.00 . A A . 2 ABA O 1 1
7 1495 1 1 3 PHE C C 1.483 4.527 3.294 1.00 . A A . 3 PHE C 1 1
7 1496 1 1 3 PHE CA C 0.475 5.665 3.161 1.00 . A A . 3 PHE CA 1 1
7 1497 1 1 3 PHE CB C -0.947 5.139 3.376 1.00 . A A . 3 PHE CB 1 1
7 1498 1 1 3 PHE CD1 C -0.963 5.491 5.862 1.00 . A A . 3 PHE CD1 1 1
7 1499 1 1 3 PHE CD2 C -1.738 3.405 5.009 1.00 . A A . 3 PHE CD2 1 1
7 1500 1 1 3 PHE CE1 C -1.223 5.063 7.151 1.00 . A A . 3 PHE CE1 1 1
7 1501 1 1 3 PHE CE2 C -2.003 2.974 6.295 1.00 . A A . 3 PHE CE2 1 1
7 1502 1 1 3 PHE CG C -1.219 4.668 4.777 1.00 . A A . 3 PHE CG 1 1
7 1503 1 1 3 PHE CZ C -1.740 3.803 7.367 1.00 . A A . 3 PHE CZ 1 1
7 1504 1 1 3 PHE H H -0.148 6.201 1.214 1.00 . A A . 3 PHE H 1 1
7 1505 1 1 3 PHE HA H 0.692 6.414 3.908 1.00 . A A . 3 PHE HA 1 1
7 1506 1 1 3 PHE HB2 H -1.653 5.926 3.151 1.00 . A A . 3 PHE HB2 1 1
7 1507 1 1 3 PHE HB3 H -1.121 4.307 2.707 1.00 . A A . 3 PHE HB3 1 1
7 1508 1 1 3 PHE HD1 H -0.558 6.478 5.696 1.00 . A A . 3 PHE HD1 1 1
7 1509 1 1 3 PHE HD2 H -1.942 2.753 4.170 1.00 . A A . 3 PHE HD2 1 1
7 1510 1 1 3 PHE HE1 H -1.017 5.716 7.987 1.00 . A A . 3 PHE HE1 1 1
7 1511 1 1 3 PHE HE2 H -2.409 1.988 6.460 1.00 . A A . 3 PHE HE2 1 1
7 1512 1 1 3 PHE HZ H -1.947 3.469 8.375 1.00 . A A . 3 PHE HZ 1 1
7 1513 1 1 3 PHE N N 0.594 6.292 1.857 1.00 . A A . 3 PHE N 1 1
7 1514 1 1 3 PHE O O 1.406 3.524 2.582 1.00 . A A . 3 PHE O 1 1
7 1515 1 1 4 ABA C C 4.869 4.445 4.520 1.00 . A A . 4 ABA C 1 1
7 1516 1 1 4 ABA CA C 3.517 3.749 4.378 1.00 . A A . 4 ABA CA 1 1
7 1517 1 1 4 ABA CB C 3.246 2.901 5.649 1.00 . A A . 4 ABA CB 1 1
7 1518 1 1 4 ABA CG C 2.224 3.565 6.561 1.00 . A A . 4 ABA CG 1 1
7 1519 1 1 4 ABA H H 2.514 5.594 4.618 1.00 . A A . 4 ABA H 1 1
7 1520 1 1 4 ABA HA H 3.553 3.079 3.520 1.00 . A A . 4 ABA HA 1 1
7 1521 1 1 4 ABA HB3 H 2.850 1.941 5.332 1.00 . A A . 4 ABA HB3 1 1
7 1522 1 1 4 ABA HG1 H 1.260 3.571 6.073 1.00 . A A . 4 ABA HG1 1 1
7 1523 1 1 4 ABA HG2 H 2.531 4.579 6.769 1.00 . A A . 4 ABA HG2 1 1
7 1524 1 1 4 ABA HG3 H 2.155 3.011 7.486 1.00 . A A . 4 ABA HG3 1 1
7 1525 1 1 4 ABA N N 2.466 4.730 4.149 1.00 . A A . 4 ABA N 1 1
7 1526 1 1 4 ABA O O 4.936 5.675 4.593 1.00 . A A . 4 ABA O 1 1
7 1527 1 1 5 LEU C C 8.365 3.042 4.488 1.00 . A A . 5 LEU C 1 1
7 1528 1 1 5 LEU CA C 7.304 4.162 4.583 1.00 . A A . 5 LEU CA 1 1
7 1529 1 1 5 LEU CB C 7.537 4.983 5.871 1.00 . A A . 5 LEU CB 1 1
7 1530 1 1 5 LEU CD1 C 8.345 4.825 8.240 1.00 . A A . 5 LEU CD1 1 1
7 1531 1 1 5 LEU CD2 C 5.972 4.290 7.721 1.00 . A A . 5 LEU CD2 1 1
7 1532 1 1 5 LEU CG C 7.403 4.232 7.205 1.00 . A A . 5 LEU CG 1 1
7 1533 1 1 5 LEU H H 5.803 2.690 4.343 1.00 . A A . 5 LEU H 1 1
7 1534 1 1 5 LEU HA H 7.446 4.820 3.738 1.00 . A A . 5 LEU HA 1 1
7 1535 1 1 5 LEU HB2 H 8.532 5.399 5.823 1.00 . A A . 5 LEU HB2 1 1
7 1536 1 1 5 LEU HB3 H 6.830 5.799 5.875 1.00 . A A . 5 LEU HB3 1 1
7 1537 1 1 5 LEU HD11 H 8.373 4.187 9.111 1.00 . A A . 5 LEU HD11 1 1
7 1538 1 1 5 LEU HD12 H 7.993 5.805 8.523 1.00 . A A . 5 LEU HD12 1 1
7 1539 1 1 5 LEU HD13 H 9.337 4.905 7.821 1.00 . A A . 5 LEU HD13 1 1
7 1540 1 1 5 LEU HD21 H 5.807 3.483 8.419 1.00 . A A . 5 LEU HD21 1 1
7 1541 1 1 5 LEU HD22 H 5.286 4.196 6.890 1.00 . A A . 5 LEU HD22 1 1
7 1542 1 1 5 LEU HD23 H 5.810 5.234 8.218 1.00 . A A . 5 LEU HD23 1 1
7 1543 1 1 5 LEU HG H 7.670 3.194 7.063 1.00 . A A . 5 LEU HG 1 1
7 1544 1 1 5 LEU N N 5.936 3.652 4.494 1.00 . A A . 5 LEU N 1 1
7 1545 1 1 5 LEU O O 9.438 3.278 3.933 1.00 . A A . 5 LEU O 1 1
7 1546 1 1 6 PRO C C 9.024 -0.169 3.868 1.00 . A A . 6 PRO C 1 1
7 1547 1 1 6 PRO CA C 9.149 0.767 5.070 1.00 . A A . 6 PRO CA 1 1
7 1548 1 1 6 PRO CB C 8.852 0.011 6.382 1.00 . A A . 6 PRO CB 1 1
7 1549 1 1 6 PRO CD C 6.965 1.377 5.810 1.00 . A A . 6 PRO CD 1 1
7 1550 1 1 6 PRO CG C 7.593 0.608 6.933 1.00 . A A . 6 PRO CG 1 1
7 1551 1 1 6 PRO HA H 10.149 1.174 5.104 1.00 . A A . 6 PRO HA 1 1
7 1552 1 1 6 PRO HB2 H 8.722 -1.039 6.170 1.00 . A A . 6 PRO HB2 1 1
7 1553 1 1 6 PRO HB3 H 9.679 0.139 7.067 1.00 . A A . 6 PRO HB3 1 1
7 1554 1 1 6 PRO HD2 H 6.341 0.731 5.208 1.00 . A A . 6 PRO HD2 1 1
7 1555 1 1 6 PRO HD3 H 6.400 2.213 6.183 1.00 . A A . 6 PRO HD3 1 1
7 1556 1 1 6 PRO HG2 H 6.930 -0.177 7.265 1.00 . A A . 6 PRO HG2 1 1
7 1557 1 1 6 PRO HG3 H 7.829 1.270 7.754 1.00 . A A . 6 PRO HG3 1 1
7 1558 1 1 6 PRO N N 8.139 1.823 5.061 1.00 . A A . 6 PRO N 1 1
7 1559 1 1 6 PRO O O 8.467 0.207 2.833 1.00 . A A . 6 PRO O 1 1
7 1560 1 1 7 GLY C C 9.365 -3.742 3.370 1.00 . A A . 7 GLY C 1 1
7 1561 1 1 7 GLY CA C 9.563 -2.318 2.898 1.00 . A A . 7 GLY CA 1 1
7 1562 1 1 7 GLY H H 10.044 -1.603 4.829 1.00 . A A . 7 GLY H 1 1
7 1563 1 1 7 GLY HA2 H 8.762 -2.058 2.223 1.00 . A A . 7 GLY HA2 1 1
7 1564 1 1 7 GLY HA3 H 10.501 -2.252 2.368 1.00 . A A . 7 GLY HA3 1 1
7 1565 1 1 7 GLY N N 9.580 -1.369 3.993 1.00 . A A . 7 GLY N 1 1
7 1566 1 1 7 GLY O O 10.005 -4.663 2.861 1.00 . A A . 7 GLY O 1 1
7 1567 1 1 8 GLY C C 7.448 -6.086 3.911 1.00 . A A . 8 GLY C 1 1
7 1568 1 1 8 GLY CA C 8.240 -5.246 4.892 1.00 . A A . 8 GLY CA 1 1
7 1569 1 1 8 GLY H H 8.053 -3.141 4.758 1.00 . A A . 8 GLY H 1 1
7 1570 1 1 8 GLY HA2 H 9.178 -5.740 5.102 1.00 . A A . 8 GLY HA2 1 1
7 1571 1 1 8 GLY HA3 H 7.678 -5.156 5.809 1.00 . A A . 8 GLY HA3 1 1
7 1572 1 1 8 GLY N N 8.512 -3.920 4.372 1.00 . A A . 8 GLY N 1 1
7 1573 1 1 8 GLY O O 8.012 -6.656 2.977 1.00 . A A . 8 GLY O 1 1
7 1574 1 1 9 GLY C C 5.085 -5.836 1.858 1.00 . A A . 9 GLY C 1 1
7 1575 1 1 9 GLY CA C 5.283 -6.711 3.073 1.00 . A A . 9 GLY CA 1 1
7 1576 1 1 9 GLY H H 5.730 -5.496 4.748 1.00 . A A . 9 GLY H 1 1
7 1577 1 1 9 GLY HA2 H 5.740 -7.643 2.771 1.00 . A A . 9 GLY HA2 1 1
7 1578 1 1 9 GLY HA3 H 4.323 -6.915 3.521 1.00 . A A . 9 GLY HA3 1 1
7 1579 1 1 9 GLY N N 6.132 -6.055 4.044 1.00 . A A . 9 GLY N 1 1
7 1580 1 1 9 GLY O O 4.139 -5.045 1.806 1.00 . A A . 9 GLY O 1 1
7 1581 1 1 10 GLY C C 6.450 -3.528 0.306 1.00 . A A . 10 GLY C 1 1
7 1582 1 1 10 GLY CA C 6.087 -4.926 -0.149 1.00 . A A . 10 GLY CA 1 1
7 1583 1 1 10 GLY H H 6.859 -6.410 1.143 1.00 . A A . 10 GLY H 1 1
7 1584 1 1 10 GLY HA2 H 6.812 -5.260 -0.879 1.00 . A A . 10 GLY HA2 1 1
7 1585 1 1 10 GLY HA3 H 5.109 -4.902 -0.604 1.00 . A A . 10 GLY HA3 1 1
7 1586 1 1 10 GLY N N 6.070 -5.854 0.965 1.00 . A A . 10 GLY N 1 1
7 1587 1 1 10 GLY O O 7.628 -3.170 0.367 1.00 . A A . 10 GLY O 1 1
7 1588 1 1 11 VAL C C 4.964 -1.409 2.717 1.00 . A A . 11 VAL C 1 1
7 1589 1 1 11 VAL CA C 5.654 -1.491 1.365 1.00 . A A . 11 VAL CA 1 1
7 1590 1 1 11 VAL CB C 5.142 -0.344 0.457 1.00 . A A . 11 VAL CB 1 1
7 1591 1 1 11 VAL CG1 C 6.259 0.146 -0.453 1.00 . A A . 11 VAL CG1 1 1
7 1592 1 1 11 VAL CG2 C 3.943 -0.790 -0.375 1.00 . A A . 11 VAL CG2 1 1
7 1593 1 1 11 VAL H H 4.557 -3.205 0.808 1.00 . A A . 11 VAL H 1 1
7 1594 1 1 11 VAL HA H 6.716 -1.354 1.513 1.00 . A A . 11 VAL HA 1 1
7 1595 1 1 11 VAL HB H 4.828 0.481 1.093 1.00 . A A . 11 VAL HB 1 1
7 1596 1 1 11 VAL HG11 H 5.860 0.356 -1.434 1.00 . A A . 11 VAL HG11 1 1
7 1597 1 1 11 VAL HG12 H 7.021 -0.616 -0.529 1.00 . A A . 11 VAL HG12 1 1
7 1598 1 1 11 VAL HG13 H 6.689 1.047 -0.040 1.00 . A A . 11 VAL HG13 1 1
7 1599 1 1 11 VAL HG21 H 4.192 -0.735 -1.425 1.00 . A A . 11 VAL HG21 1 1
7 1600 1 1 11 VAL HG22 H 3.105 -0.144 -0.172 1.00 . A A . 11 VAL HG22 1 1
7 1601 1 1 11 VAL HG23 H 3.683 -1.807 -0.119 1.00 . A A . 11 VAL HG23 1 1
7 1602 1 1 11 VAL N N 5.449 -2.801 0.766 1.00 . A A . 11 VAL N 1 1
7 1603 1 1 11 VAL O O 5.585 -1.620 3.758 1.00 . A A . 11 VAL O 1 1
7 1604 1 1 12 CYS C C 1.501 -0.474 3.435 1.00 . A A . 12 CYS C 1 1
7 1605 1 1 12 CYS CA C 2.927 -0.762 3.871 1.00 . A A . 12 CYS CA 1 1
7 1606 1 1 12 CYS CB C 3.541 0.429 4.602 1.00 . A A . 12 CYS CB 1 1
7 1607 1 1 12 CYS H H 3.318 -0.759 1.828 1.00 . A A . 12 CYS H 1 1
7 1608 1 1 12 CYS HA H 2.952 -1.641 4.499 1.00 . A A . 12 CYS HA 1 1
7 1609 1 1 12 CYS HB2 H 4.399 0.083 5.158 1.00 . A A . 12 CYS HB2 1 1
7 1610 1 1 12 CYS HB3 H 3.877 1.141 3.862 1.00 . A A . 12 CYS HB3 1 1
7 1611 1 1 12 CYS N N 3.707 -1.011 2.685 1.00 . A A . 12 CYS N 1 1
7 1612 1 1 12 CYS O O 1.170 0.655 3.079 1.00 . A A . 12 CYS O 1 1
7 1613 1 1 12 CYS SG S 2.461 1.287 5.745 1.00 . A A . 12 CYS SG 1 1
7 1614 1 1 13 ABA C C -0.511 -2.079 1.171 1.00 . A A . 13 ABA C 1 1
7 1615 1 1 13 ABA CA C -0.523 -1.394 2.522 1.00 . A A . 13 ABA CA 1 1
7 1616 1 1 13 ABA CB C -1.698 -1.966 3.359 1.00 . A A . 13 ABA CB 1 1
7 1617 1 1 13 ABA CG C -1.248 -2.356 4.761 1.00 . A A . 13 ABA CG 1 1
7 1618 1 1 13 ABA H H 1.153 -2.431 3.252 1.00 . A A . 13 ABA H 1 1
7 1619 1 1 13 ABA HA H -0.689 -0.344 2.364 1.00 . A A . 13 ABA HA 1 1
7 1620 1 1 13 ABA HB3 H -2.057 -2.859 2.866 1.00 . A A . 13 ABA HB3 1 1
7 1621 1 1 13 ABA HG1 H -0.970 -3.398 4.771 1.00 . A A . 13 ABA HG1 1 1
7 1622 1 1 13 ABA HG2 H -2.057 -2.193 5.460 1.00 . A A . 13 ABA HG2 1 1
7 1623 1 1 13 ABA HG3 H -0.398 -1.755 5.047 1.00 . A A . 13 ABA HG3 1 1
7 1624 1 1 13 ABA N N 0.759 -1.536 3.171 1.00 . A A . 13 ABA N 1 1
7 1625 1 1 13 ABA O O -1.161 -1.617 0.235 1.00 . A A . 13 ABA O 1 1
7 1626 1 1 14 LEU C C -1.074 -4.715 -0.325 1.00 . A A . 14 LEU C 1 1
7 1627 1 1 14 LEU CA C 0.249 -3.967 -0.137 1.00 . A A . 14 LEU CA 1 1
7 1628 1 1 14 LEU CB C 1.431 -4.933 -0.080 1.00 . A A . 14 LEU CB 1 1
7 1629 1 1 14 LEU CD1 C 1.756 -5.202 -2.547 1.00 . A A . 14 LEU CD1 1 1
7 1630 1 1 14 LEU CD2 C 2.576 -6.971 -0.974 1.00 . A A . 14 LEU CD2 1 1
7 1631 1 1 14 LEU CG C 1.505 -5.923 -1.231 1.00 . A A . 14 LEU CG 1 1
7 1632 1 1 14 LEU H H 0.677 -3.535 1.869 1.00 . A A . 14 LEU H 1 1
7 1633 1 1 14 LEU HA H 0.387 -3.283 -0.962 1.00 . A A . 14 LEU HA 1 1
7 1634 1 1 14 LEU HB2 H 2.342 -4.353 -0.070 1.00 . A A . 14 LEU HB2 1 1
7 1635 1 1 14 LEU HB3 H 1.367 -5.491 0.842 1.00 . A A . 14 LEU HB3 1 1
7 1636 1 1 14 LEU HD11 H 0.819 -5.047 -3.059 1.00 . A A . 14 LEU HD11 1 1
7 1637 1 1 14 LEU HD12 H 2.412 -5.796 -3.165 1.00 . A A . 14 LEU HD12 1 1
7 1638 1 1 14 LEU HD13 H 2.218 -4.246 -2.349 1.00 . A A . 14 LEU HD13 1 1
7 1639 1 1 14 LEU HD21 H 2.861 -6.946 0.067 1.00 . A A . 14 LEU HD21 1 1
7 1640 1 1 14 LEU HD22 H 3.439 -6.762 -1.587 1.00 . A A . 14 LEU HD22 1 1
7 1641 1 1 14 LEU HD23 H 2.189 -7.948 -1.217 1.00 . A A . 14 LEU HD23 1 1
7 1642 1 1 14 LEU HG H 0.553 -6.421 -1.299 1.00 . A A . 14 LEU HG 1 1
7 1643 1 1 14 LEU N N 0.201 -3.195 1.080 1.00 . A A . 14 LEU N 1 1
7 1644 1 1 14 LEU O O -1.173 -5.921 -0.094 1.00 . A A . 14 LEU O 1 1
7 1645 1 1 15 ABA C C -4.431 -3.383 -0.168 1.00 . A A . 15 ABA C 1 1
7 1646 1 1 15 ABA CA C -3.468 -4.463 -0.620 1.00 . A A . 15 ABA CA 1 1
7 1647 1 1 15 ABA CB C -3.836 -4.896 -2.053 1.00 . A A . 15 ABA CB 1 1
7 1648 1 1 15 ABA CG C -4.376 -6.311 -2.049 1.00 . A A . 15 ABA CG 1 1
7 1649 1 1 15 ABA H H -1.997 -2.960 -0.512 1.00 . A A . 15 ABA H 1 1
7 1650 1 1 15 ABA HA H -3.547 -5.316 0.038 1.00 . A A . 15 ABA HA 1 1
7 1651 1 1 15 ABA HB3 H -4.613 -4.240 -2.417 1.00 . A A . 15 ABA HB3 1 1
7 1652 1 1 15 ABA HG1 H -3.885 -6.887 -2.819 1.00 . A A . 15 ABA HG1 1 1
7 1653 1 1 15 ABA HG2 H -5.438 -6.288 -2.238 1.00 . A A . 15 ABA HG2 1 1
7 1654 1 1 15 ABA HG3 H -4.191 -6.763 -1.086 1.00 . A A . 15 ABA HG3 1 1
7 1655 1 1 15 ABA N N -2.120 -3.941 -0.550 1.00 . A A . 15 ABA N 1 1
7 1656 1 1 15 ABA O O -3.996 -2.345 0.343 1.00 . A A . 15 ABA O 1 1
7 1657 1 1 16 DHA C C -6.828 -2.156 1.189 1.00 . A A . 16 DHA C 1 1
7 1658 1 1 16 DHA CA C -6.623 -2.599 -0.138 1.00 . A A . 16 DHA CA 1 1
7 1659 1 1 16 DHA CB C -7.305 -2.038 -1.140 1.00 . A A . 16 DHA CB 1 1
7 1660 1 1 16 DHA H H -5.958 -4.425 -0.869 1.00 . A A . 16 DHA H 1 1
7 1661 1 1 16 DHA HB1 H -7.148 -2.372 -2.154 1.00 . A A . 16 DHA HB1 1 1
7 1662 1 1 16 DHA HB2 H -7.991 -1.232 -0.941 1.00 . A A . 16 DHA HB2 1 1
7 1663 1 1 16 DHA N N -5.717 -3.582 -0.429 1.00 . A A . 16 DHA N 1 1
7 1664 1 1 16 DHA O O -7.515 -1.163 1.422 1.00 . A A . 16 DHA O 1 1
7 1665 1 1 17 GLU C C -5.631 -0.971 3.638 1.00 . A A . 17 GLU C 1 1
7 1666 1 1 17 GLU CA C -6.171 -2.390 3.524 1.00 . A A . 17 GLU CA 1 1
7 1667 1 1 17 GLU CB C -5.302 -3.331 4.367 1.00 . A A . 17 GLU CB 1 1
7 1668 1 1 17 GLU CD C -6.789 -3.181 6.400 1.00 . A A . 17 GLU CD 1 1
7 1669 1 1 17 GLU CG C -5.380 -3.063 5.862 1.00 . A A . 17 GLU CG 1 1
7 1670 1 1 17 GLU H H -5.574 -3.555 1.867 1.00 . A A . 17 GLU H 1 1
7 1671 1 1 17 GLU HA H -7.188 -2.420 3.878 1.00 . A A . 17 GLU HA 1 1
7 1672 1 1 17 GLU HB2 H -5.607 -4.348 4.186 1.00 . A A . 17 GLU HB2 1 1
7 1673 1 1 17 GLU HB3 H -4.274 -3.217 4.061 1.00 . A A . 17 GLU HB3 1 1
7 1674 1 1 17 GLU HG2 H -4.755 -3.778 6.377 1.00 . A A . 17 GLU HG2 1 1
7 1675 1 1 17 GLU HG3 H -5.017 -2.062 6.055 1.00 . A A . 17 GLU HG3 1 1
7 1676 1 1 17 GLU N N -6.153 -2.809 2.131 1.00 . A A . 17 GLU N 1 1
7 1677 1 1 17 GLU O O -6.079 -0.180 4.466 1.00 . A A . 17 GLU O 1 1
7 1678 1 1 17 GLU OE1 O -7.329 -4.304 6.422 1.00 . A A . 17 GLU OE1 1 1
7 1679 1 1 17 GLU OE2 O -7.360 -2.153 6.820 1.00 . A A . 17 GLU OE2 1 1
7 1680 1 1 18 CYS C C -4.058 1.226 1.331 1.00 . A A . 18 CYS C 1 1
7 1681 1 1 18 CYS CA C -4.103 0.679 2.744 1.00 . A A . 18 CYS CA 1 1
7 1682 1 1 18 CYS CB C -2.673 0.639 3.258 1.00 . A A . 18 CYS CB 1 1
7 1683 1 1 18 CYS H H -4.422 -1.302 2.087 1.00 . A A . 18 CYS H 1 1
7 1684 1 1 18 CYS HA H -4.694 1.331 3.368 1.00 . A A . 18 CYS HA 1 1
7 1685 1 1 18 CYS HB2 H -2.031 0.507 2.412 1.00 . A A . 18 CYS HB2 1 1
7 1686 1 1 18 CYS HB3 H -2.444 1.581 3.709 1.00 . A A . 18 CYS HB3 1 1
7 1687 1 1 18 CYS N N -4.693 -0.645 2.762 1.00 . A A . 18 CYS N 1 1
7 1688 1 1 18 CYS O O -4.630 2.275 1.034 1.00 . A A . 18 CYS O 1 1
7 1689 1 1 18 CYS SG S -2.319 -0.667 4.453 1.00 . A A . 18 CYS SG 1 1
7 1690 1 1 19 ILE C C -3.546 0.309 -1.868 1.00 . A A . 19 ILE C 1 1
7 1691 1 1 19 ILE CA C -2.849 1.107 -0.773 1.00 . A A . 19 ILE CA 1 1
7 1692 1 1 19 ILE CB C -1.312 1.051 -0.964 1.00 . A A . 19 ILE CB 1 1
7 1693 1 1 19 ILE CD1 C -1.096 3.357 0.013 1.00 . A A . 19 ILE CD1 1 1
7 1694 1 1 19 ILE CG1 C -0.620 1.934 0.069 1.00 . A A . 19 ILE CG1 1 1
7 1695 1 1 19 ILE CG2 C -0.899 1.456 -2.369 1.00 . A A . 19 ILE CG2 1 1
7 1696 1 1 19 ILE H H -2.690 -0.152 0.895 1.00 . A A . 19 ILE H 1 1
7 1697 1 1 19 ILE HA H -3.157 2.136 -0.823 1.00 . A A . 19 ILE HA 1 1
7 1698 1 1 19 ILE HB H -1.000 0.039 -0.809 1.00 . A A . 19 ILE HB 1 1
7 1699 1 1 19 ILE HD11 H -1.788 3.457 -0.810 1.00 . A A . 19 ILE HD11 1 1
7 1700 1 1 19 ILE HD12 H -0.253 4.013 -0.136 1.00 . A A . 19 ILE HD12 1 1
7 1701 1 1 19 ILE HD13 H -1.596 3.605 0.936 1.00 . A A . 19 ILE HD13 1 1
7 1702 1 1 19 ILE HG12 H -0.820 1.552 1.059 1.00 . A A . 19 ILE HG12 1 1
7 1703 1 1 19 ILE HG13 H 0.445 1.929 -0.111 1.00 . A A . 19 ILE HG13 1 1
7 1704 1 1 19 ILE HG21 H -1.149 2.492 -2.535 1.00 . A A . 19 ILE HG21 1 1
7 1705 1 1 19 ILE HG22 H -1.417 0.839 -3.087 1.00 . A A . 19 ILE HG22 1 1
7 1706 1 1 19 ILE HG23 H 0.168 1.320 -2.479 1.00 . A A . 19 ILE HG23 1 1
7 1707 1 1 19 ILE N N -3.198 0.603 0.538 1.00 . A A . 19 ILE N 1 1
7 1708 1 1 19 ILE O O -4.532 0.760 -2.449 1.00 . A A . 19 ILE O 1 1
7 1709 1 1 20 TEE CA C -3.587 -1.647 -3.124 1.00 . A A . 20 TEE CA 1 1
7 1710 1 1 20 TEE CB C -2.858 -2.738 -3.632 1.00 . A A . 20 TEE CB 1 1
7 1711 1 1 20 TEE HA H -4.194 -1.418 -2.252 1.00 . A A . 20 TEE HA 1 1
7 1712 1 1 20 TEE HB2 H -3.161 -3.207 -4.557 1.00 . A A . 20 TEE HB2 1 1
7 1713 1 1 20 TEE HN1 H -2.234 -1.141 -1.628 1.00 . A A . 20 TEE HN1 1 1
7 1714 1 1 20 TEE N N -3.026 -0.874 -2.146 1.00 . A A . 20 TEE N 1 1
7 1715 1 1 20 TEE SG S -3.156 -4.511 -3.678 1.00 . A A . 20 TEE SG 1 1
8 1716 1 1 1 CYS C C -0.108 4.140 -3.619 1.00 . A A . 1 CYS C 1 1
8 1717 1 1 1 CYS CA C -1.442 4.667 -4.184 1.00 . A A . 1 CYS CA 1 1
8 1718 1 1 1 CYS CB C -2.528 4.780 -3.113 1.00 . A A . 1 CYS CB 1 1
8 1719 1 1 1 CYS H1 H -2.979 3.656 -5.160 1.00 . A A . 1 CYS H1 1 1
8 1720 1 1 1 CYS H2 H -1.529 2.781 -5.059 1.00 . A A . 1 CYS H2 1 1
8 1721 1 1 1 CYS H3 H -1.670 4.061 -6.159 1.00 . A A . 1 CYS H3 1 1
8 1722 1 1 1 CYS HA H -1.279 5.632 -4.642 1.00 . A A . 1 CYS HA 1 1
8 1723 1 1 1 CYS HB2 H -3.489 4.637 -3.581 1.00 . A A . 1 CYS HB2 1 1
8 1724 1 1 1 CYS HB3 H -2.378 3.998 -2.382 1.00 . A A . 1 CYS HB3 1 1
8 1725 1 1 1 CYS N N -1.940 3.729 -5.209 1.00 . A A . 1 CYS N 1 1
8 1726 1 1 1 CYS O O 0.637 3.491 -4.355 1.00 . A A . 1 CYS O 1 1
8 1727 1 1 1 CYS SG S -2.556 6.364 -2.253 1.00 . A A . 1 CYS SG 1 1
8 1728 1 1 2 ABA C C 0.021 5.168 -0.020 1.00 . A A . 2 ABA C 1 1
8 1729 1 1 2 ABA CA C -0.606 5.148 -1.409 1.00 . A A . 2 ABA CA 1 1
8 1730 1 1 2 ABA CB C -0.806 6.596 -1.901 1.00 . A A . 2 ABA CB 1 1
8 1731 1 1 2 ABA CG C 0.532 7.220 -2.253 1.00 . A A . 2 ABA CG 1 1
8 1732 1 1 2 ABA H H 1.073 4.026 -2.001 1.00 . A A . 2 ABA H 1 1
8 1733 1 1 2 ABA HA H -1.565 4.680 -1.343 1.00 . A A . 2 ABA HA 1 1
8 1734 1 1 2 ABA HB3 H -1.249 7.169 -1.099 1.00 . A A . 2 ABA HB3 1 1
8 1735 1 1 2 ABA HG1 H 0.472 7.676 -3.229 1.00 . A A . 2 ABA HG1 1 1
8 1736 1 1 2 ABA HG2 H 1.288 6.450 -2.259 1.00 . A A . 2 ABA HG2 1 1
8 1737 1 1 2 ABA HG3 H 0.786 7.969 -1.517 1.00 . A A . 2 ABA HG3 1 1
8 1738 1 1 2 ABA N N 0.214 4.370 -2.333 1.00 . A A . 2 ABA N 1 1
8 1739 1 1 2 ABA O O 1.246 5.192 0.116 1.00 . A A . 2 ABA O 1 1
8 1740 1 1 3 PHE C C 0.350 3.807 2.696 1.00 . A A . 3 PHE C 1 1
8 1741 1 1 3 PHE CA C -0.366 5.117 2.383 1.00 . A A . 3 PHE CA 1 1
8 1742 1 1 3 PHE CB C -1.550 5.314 3.335 1.00 . A A . 3 PHE CB 1 1
8 1743 1 1 3 PHE CD1 C -0.295 6.447 5.190 1.00 . A A . 3 PHE CD1 1 1
8 1744 1 1 3 PHE CD2 C -1.661 4.567 5.729 1.00 . A A . 3 PHE CD2 1 1
8 1745 1 1 3 PHE CE1 C 0.066 6.569 6.518 1.00 . A A . 3 PHE CE1 1 1
8 1746 1 1 3 PHE CE2 C -1.302 4.683 7.059 1.00 . A A . 3 PHE CE2 1 1
8 1747 1 1 3 PHE CG C -1.160 5.445 4.781 1.00 . A A . 3 PHE CG 1 1
8 1748 1 1 3 PHE CZ C -0.440 5.689 7.454 1.00 . A A . 3 PHE CZ 1 1
8 1749 1 1 3 PHE H H -1.787 5.099 0.821 1.00 . A A . 3 PHE H 1 1
8 1750 1 1 3 PHE HA H 0.327 5.934 2.511 1.00 . A A . 3 PHE HA 1 1
8 1751 1 1 3 PHE HB2 H -2.082 6.213 3.056 1.00 . A A . 3 PHE HB2 1 1
8 1752 1 1 3 PHE HB3 H -2.215 4.469 3.248 1.00 . A A . 3 PHE HB3 1 1
8 1753 1 1 3 PHE HD1 H 0.099 7.140 4.459 1.00 . A A . 3 PHE HD1 1 1
8 1754 1 1 3 PHE HD2 H -2.335 3.781 5.422 1.00 . A A . 3 PHE HD2 1 1
8 1755 1 1 3 PHE HE1 H 0.742 7.353 6.825 1.00 . A A . 3 PHE HE1 1 1
8 1756 1 1 3 PHE HE2 H -1.699 3.993 7.789 1.00 . A A . 3 PHE HE2 1 1
8 1757 1 1 3 PHE HZ H -0.162 5.784 8.494 1.00 . A A . 3 PHE HZ 1 1
8 1758 1 1 3 PHE N N -0.823 5.134 1.000 1.00 . A A . 3 PHE N 1 1
8 1759 1 1 3 PHE O O -0.274 2.751 2.771 1.00 . A A . 3 PHE O 1 1
8 1760 1 1 4 ABA C C 3.885 2.875 2.511 1.00 . A A . 4 ABA C 1 1
8 1761 1 1 4 ABA CA C 2.479 2.700 3.089 1.00 . A A . 4 ABA CA 1 1
8 1762 1 1 4 ABA CB C 2.557 2.374 4.607 1.00 . A A . 4 ABA CB 1 1
8 1763 1 1 4 ABA CG C 2.253 3.594 5.466 1.00 . A A . 4 ABA CG 1 1
8 1764 1 1 4 ABA H H 2.109 4.749 2.686 1.00 . A A . 4 ABA H 1 1
8 1765 1 1 4 ABA HA H 2.017 1.858 2.590 1.00 . A A . 4 ABA HA 1 1
8 1766 1 1 4 ABA HB3 H 1.826 1.612 4.830 1.00 . A A . 4 ABA HB3 1 1
8 1767 1 1 4 ABA HG1 H 1.606 3.304 6.280 1.00 . A A . 4 ABA HG1 1 1
8 1768 1 1 4 ABA HG2 H 1.763 4.345 4.866 1.00 . A A . 4 ABA HG2 1 1
8 1769 1 1 4 ABA HG3 H 3.176 3.994 5.862 1.00 . A A . 4 ABA HG3 1 1
8 1770 1 1 4 ABA N N 1.665 3.880 2.822 1.00 . A A . 4 ABA N 1 1
8 1771 1 1 4 ABA O O 4.226 2.269 1.497 1.00 . A A . 4 ABA O 1 1
8 1772 1 1 5 LEU C C 7.071 3.060 2.829 1.00 . A A . 5 LEU C 1 1
8 1773 1 1 5 LEU CA C 5.979 4.129 2.570 1.00 . A A . 5 LEU CA 1 1
8 1774 1 1 5 LEU CB C 6.447 5.500 3.097 1.00 . A A . 5 LEU CB 1 1
8 1775 1 1 5 LEU CD1 C 7.645 6.655 4.972 1.00 . A A . 5 LEU CD1 1 1
8 1776 1 1 5 LEU CD2 C 5.233 6.086 5.228 1.00 . A A . 5 LEU CD2 1 1
8 1777 1 1 5 LEU CG C 6.561 5.647 4.620 1.00 . A A . 5 LEU CG 1 1
8 1778 1 1 5 LEU H H 4.294 4.303 3.843 1.00 . A A . 5 LEU H 1 1
8 1779 1 1 5 LEU HA H 5.866 4.216 1.502 1.00 . A A . 5 LEU HA 1 1
8 1780 1 1 5 LEU HB2 H 7.417 5.708 2.668 1.00 . A A . 5 LEU HB2 1 1
8 1781 1 1 5 LEU HB3 H 5.755 6.249 2.742 1.00 . A A . 5 LEU HB3 1 1
8 1782 1 1 5 LEU HD11 H 7.737 6.724 6.047 1.00 . A A . 5 LEU HD11 1 1
8 1783 1 1 5 LEU HD12 H 7.382 7.621 4.569 1.00 . A A . 5 LEU HD12 1 1
8 1784 1 1 5 LEU HD13 H 8.586 6.333 4.551 1.00 . A A . 5 LEU HD13 1 1
8 1785 1 1 5 LEU HD21 H 4.548 6.363 4.440 1.00 . A A . 5 LEU HD21 1 1
8 1786 1 1 5 LEU HD22 H 5.398 6.934 5.875 1.00 . A A . 5 LEU HD22 1 1
8 1787 1 1 5 LEU HD23 H 4.813 5.274 5.803 1.00 . A A . 5 LEU HD23 1 1
8 1788 1 1 5 LEU HG H 6.832 4.696 5.052 1.00 . A A . 5 LEU HG 1 1
8 1789 1 1 5 LEU N N 4.656 3.787 3.093 1.00 . A A . 5 LEU N 1 1
8 1790 1 1 5 LEU O O 7.963 2.908 1.995 1.00 . A A . 5 LEU O 1 1
8 1791 1 1 6 PRO C C 7.911 0.048 3.520 1.00 . A A . 6 PRO C 1 1
8 1792 1 1 6 PRO CA C 8.121 1.350 4.276 1.00 . A A . 6 PRO CA 1 1
8 1793 1 1 6 PRO CB C 7.998 1.127 5.795 1.00 . A A . 6 PRO CB 1 1
8 1794 1 1 6 PRO CD C 6.121 2.399 5.080 1.00 . A A . 6 PRO CD 1 1
8 1795 1 1 6 PRO CG C 6.991 2.126 6.265 1.00 . A A . 6 PRO CG 1 1
8 1796 1 1 6 PRO HA H 9.102 1.737 4.045 1.00 . A A . 6 PRO HA 1 1
8 1797 1 1 6 PRO HB2 H 7.667 0.116 5.984 1.00 . A A . 6 PRO HB2 1 1
8 1798 1 1 6 PRO HB3 H 8.960 1.287 6.261 1.00 . A A . 6 PRO HB3 1 1
8 1799 1 1 6 PRO HD2 H 5.361 1.639 4.984 1.00 . A A . 6 PRO HD2 1 1
8 1800 1 1 6 PRO HD3 H 5.676 3.371 5.138 1.00 . A A . 6 PRO HD3 1 1
8 1801 1 1 6 PRO HG2 H 6.408 1.712 7.074 1.00 . A A . 6 PRO HG2 1 1
8 1802 1 1 6 PRO HG3 H 7.488 3.032 6.583 1.00 . A A . 6 PRO HG3 1 1
8 1803 1 1 6 PRO N N 7.072 2.328 3.976 1.00 . A A . 6 PRO N 1 1
8 1804 1 1 6 PRO O O 7.050 -0.035 2.645 1.00 . A A . 6 PRO O 1 1
8 1805 1 1 7 GLY C C 7.965 -3.316 4.125 1.00 . A A . 7 GLY C 1 1
8 1806 1 1 7 GLY CA C 8.541 -2.249 3.228 1.00 . A A . 7 GLY CA 1 1
8 1807 1 1 7 GLY H H 9.309 -0.861 4.625 1.00 . A A . 7 GLY H 1 1
8 1808 1 1 7 GLY HA2 H 7.901 -2.135 2.367 1.00 . A A . 7 GLY HA2 1 1
8 1809 1 1 7 GLY HA3 H 9.519 -2.563 2.897 1.00 . A A . 7 GLY HA3 1 1
8 1810 1 1 7 GLY N N 8.662 -0.974 3.891 1.00 . A A . 7 GLY N 1 1
8 1811 1 1 7 GLY O O 6.747 -3.486 4.193 1.00 . A A . 7 GLY O 1 1
8 1812 1 1 8 GLY C C 7.693 -6.213 4.915 1.00 . A A . 8 GLY C 1 1
8 1813 1 1 8 GLY CA C 8.402 -5.113 5.682 1.00 . A A . 8 GLY CA 1 1
8 1814 1 1 8 GLY H H 9.801 -3.832 4.728 1.00 . A A . 8 GLY H 1 1
8 1815 1 1 8 GLY HA2 H 9.263 -5.533 6.180 1.00 . A A . 8 GLY HA2 1 1
8 1816 1 1 8 GLY HA3 H 7.728 -4.712 6.425 1.00 . A A . 8 GLY HA3 1 1
8 1817 1 1 8 GLY N N 8.840 -4.036 4.812 1.00 . A A . 8 GLY N 1 1
8 1818 1 1 8 GLY O O 6.656 -6.718 5.347 1.00 . A A . 8 GLY O 1 1
8 1819 1 1 9 GLY C C 7.010 -6.811 1.605 1.00 . A A . 9 GLY C 1 1
8 1820 1 1 9 GLY CA C 7.552 -7.469 2.857 1.00 . A A . 9 GLY CA 1 1
8 1821 1 1 9 GLY H H 8.990 -6.017 3.408 1.00 . A A . 9 GLY H 1 1
8 1822 1 1 9 GLY HA2 H 8.267 -8.229 2.576 1.00 . A A . 9 GLY HA2 1 1
8 1823 1 1 9 GLY HA3 H 6.736 -7.933 3.390 1.00 . A A . 9 GLY HA3 1 1
8 1824 1 1 9 GLY N N 8.199 -6.506 3.725 1.00 . A A . 9 GLY N 1 1
8 1825 1 1 9 GLY O O 5.905 -7.123 1.159 1.00 . A A . 9 GLY O 1 1
8 1826 1 1 10 GLY C C 7.017 -3.630 0.321 1.00 . A A . 10 GLY C 1 1
8 1827 1 1 10 GLY CA C 7.280 -5.074 -0.046 1.00 . A A . 10 GLY CA 1 1
8 1828 1 1 10 GLY H H 8.590 -5.582 1.531 1.00 . A A . 10 GLY H 1 1
8 1829 1 1 10 GLY HA2 H 8.032 -5.113 -0.823 1.00 . A A . 10 GLY HA2 1 1
8 1830 1 1 10 GLY HA3 H 6.367 -5.517 -0.415 1.00 . A A . 10 GLY HA3 1 1
8 1831 1 1 10 GLY N N 7.744 -5.830 1.095 1.00 . A A . 10 GLY N 1 1
8 1832 1 1 10 GLY O O 7.931 -2.808 0.320 1.00 . A A . 10 GLY O 1 1
8 1833 1 1 11 VAL C C 4.333 -2.176 2.296 1.00 . A A . 11 VAL C 1 1
8 1834 1 1 11 VAL CA C 5.405 -2.041 1.252 1.00 . A A . 11 VAL CA 1 1
8 1835 1 1 11 VAL CB C 4.875 -1.100 0.137 1.00 . A A . 11 VAL CB 1 1
8 1836 1 1 11 VAL CG1 C 6.022 -0.516 -0.678 1.00 . A A . 11 VAL CG1 1 1
8 1837 1 1 11 VAL CG2 C 3.893 -1.832 -0.769 1.00 . A A . 11 VAL CG2 1 1
8 1838 1 1 11 VAL H H 5.150 -4.093 0.827 1.00 . A A . 11 VAL H 1 1
8 1839 1 1 11 VAL HA H 6.261 -1.563 1.725 1.00 . A A . 11 VAL HA 1 1
8 1840 1 1 11 VAL HB H 4.344 -0.278 0.613 1.00 . A A . 11 VAL HB 1 1
8 1841 1 1 11 VAL HG11 H 5.736 -0.469 -1.719 1.00 . A A . 11 VAL HG11 1 1
8 1842 1 1 11 VAL HG12 H 6.894 -1.142 -0.572 1.00 . A A . 11 VAL HG12 1 1
8 1843 1 1 11 VAL HG13 H 6.248 0.477 -0.321 1.00 . A A . 11 VAL HG13 1 1
8 1844 1 1 11 VAL HG21 H 3.151 -1.138 -1.132 1.00 . A A . 11 VAL HG21 1 1
8 1845 1 1 11 VAL HG22 H 3.405 -2.618 -0.212 1.00 . A A . 11 VAL HG22 1 1
8 1846 1 1 11 VAL HG23 H 4.424 -2.261 -1.605 1.00 . A A . 11 VAL HG23 1 1
8 1847 1 1 11 VAL N N 5.796 -3.359 0.757 1.00 . A A . 11 VAL N 1 1
8 1848 1 1 11 VAL O O 3.472 -3.052 2.230 1.00 . A A . 11 VAL O 1 1
8 1849 1 1 12 CYS C C 1.998 -0.715 3.490 1.00 . A A . 12 CYS C 1 1
8 1850 1 1 12 CYS CA C 3.313 -1.073 4.176 1.00 . A A . 12 CYS CA 1 1
8 1851 1 1 12 CYS CB C 3.785 0.001 5.150 1.00 . A A . 12 CYS CB 1 1
8 1852 1 1 12 CYS H H 5.038 -0.533 3.121 1.00 . A A . 12 CYS H 1 1
8 1853 1 1 12 CYS HA H 3.198 -2.007 4.704 1.00 . A A . 12 CYS HA 1 1
8 1854 1 1 12 CYS HB2 H 4.298 -0.482 5.960 1.00 . A A . 12 CYS HB2 1 1
8 1855 1 1 12 CYS HB3 H 4.490 0.637 4.631 1.00 . A A . 12 CYS HB3 1 1
8 1856 1 1 12 CYS N N 4.351 -1.230 3.194 1.00 . A A . 12 CYS N 1 1
8 1857 1 1 12 CYS O O 2.004 -0.088 2.430 1.00 . A A . 12 CYS O 1 1
8 1858 1 1 12 CYS SG S 2.499 1.052 5.834 1.00 . A A . 12 CYS SG 1 1
8 1859 1 1 13 ABA C C -0.450 -1.729 2.043 1.00 . A A . 13 ABA C 1 1
8 1860 1 1 13 ABA CA C -0.405 -1.010 3.379 1.00 . A A . 13 ABA CA 1 1
8 1861 1 1 13 ABA CB C -1.587 -1.506 4.244 1.00 . A A . 13 ABA CB 1 1
8 1862 1 1 13 ABA CG C -1.368 -1.175 5.715 1.00 . A A . 13 ABA CG 1 1
8 1863 1 1 13 ABA H H 0.947 -1.780 4.823 1.00 . A A . 13 ABA H 1 1
8 1864 1 1 13 ABA HA H -0.523 0.054 3.199 1.00 . A A . 13 ABA HA 1 1
8 1865 1 1 13 ABA HB3 H -1.646 -2.584 4.146 1.00 . A A . 13 ABA HB3 1 1
8 1866 1 1 13 ABA HG1 H -0.720 -1.917 6.158 1.00 . A A . 13 ABA HG1 1 1
8 1867 1 1 13 ABA HG2 H -2.317 -1.175 6.229 1.00 . A A . 13 ABA HG2 1 1
8 1868 1 1 13 ABA HG3 H -0.911 -0.200 5.801 1.00 . A A . 13 ABA HG3 1 1
8 1869 1 1 13 ABA N N 0.888 -1.212 4.023 1.00 . A A . 13 ABA N 1 1
8 1870 1 1 13 ABA O O -0.964 -1.193 1.067 1.00 . A A . 13 ABA O 1 1
8 1871 1 1 14 LEU C C -1.106 -4.194 0.281 1.00 . A A . 14 LEU C 1 1
8 1872 1 1 14 LEU CA C 0.244 -3.653 0.754 1.00 . A A . 14 LEU CA 1 1
8 1873 1 1 14 LEU CB C 1.247 -4.791 0.938 1.00 . A A . 14 LEU CB 1 1
8 1874 1 1 14 LEU CD1 C 1.804 -5.127 -1.478 1.00 . A A . 14 LEU CD1 1 1
8 1875 1 1 14 LEU CD2 C 2.166 -6.983 0.164 1.00 . A A . 14 LEU CD2 1 1
8 1876 1 1 14 LEU CG C 1.301 -5.789 -0.204 1.00 . A A . 14 LEU CG 1 1
8 1877 1 1 14 LEU H H 0.544 -3.293 2.798 1.00 . A A . 14 LEU H 1 1
8 1878 1 1 14 LEU HA H 0.623 -2.974 0.006 1.00 . A A . 14 LEU HA 1 1
8 1879 1 1 14 LEU HB2 H 2.232 -4.360 1.059 1.00 . A A . 14 LEU HB2 1 1
8 1880 1 1 14 LEU HB3 H 0.991 -5.324 1.841 1.00 . A A . 14 LEU HB3 1 1
8 1881 1 1 14 LEU HD11 H 2.749 -4.643 -1.281 1.00 . A A . 14 LEU HD11 1 1
8 1882 1 1 14 LEU HD12 H 1.085 -4.393 -1.810 1.00 . A A . 14 LEU HD12 1 1
8 1883 1 1 14 LEU HD13 H 1.935 -5.876 -2.246 1.00 . A A . 14 LEU HD13 1 1
8 1884 1 1 14 LEU HD21 H 2.485 -6.894 1.192 1.00 . A A . 14 LEU HD21 1 1
8 1885 1 1 14 LEU HD22 H 3.034 -7.013 -0.479 1.00 . A A . 14 LEU HD22 1 1
8 1886 1 1 14 LEU HD23 H 1.596 -7.892 0.043 1.00 . A A . 14 LEU HD23 1 1
8 1887 1 1 14 LEU HG H 0.299 -6.140 -0.382 1.00 . A A . 14 LEU HG 1 1
8 1888 1 1 14 LEU N N 0.124 -2.921 1.992 1.00 . A A . 14 LEU N 1 1
8 1889 1 1 14 LEU O O -1.483 -5.329 0.577 1.00 . A A . 14 LEU O 1 1
8 1890 1 1 15 ABA C C -4.225 -3.034 -0.540 1.00 . A A . 15 ABA C 1 1
8 1891 1 1 15 ABA CA C -3.049 -3.789 -1.129 1.00 . A A . 15 ABA CA 1 1
8 1892 1 1 15 ABA CB C -2.994 -3.545 -2.658 1.00 . A A . 15 ABA CB 1 1
8 1893 1 1 15 ABA CG C -1.993 -4.509 -3.275 1.00 . A A . 15 ABA CG 1 1
8 1894 1 1 15 ABA H H -1.451 -2.481 -0.681 1.00 . A A . 15 ABA H 1 1
8 1895 1 1 15 ABA HA H -3.184 -4.847 -0.958 1.00 . A A . 15 ABA HA 1 1
8 1896 1 1 15 ABA HB3 H -3.968 -3.762 -3.071 1.00 . A A . 15 ABA HB3 1 1
8 1897 1 1 15 ABA HG1 H -1.566 -5.132 -2.503 1.00 . A A . 15 ABA HG1 1 1
8 1898 1 1 15 ABA HG2 H -1.205 -3.950 -3.762 1.00 . A A . 15 ABA HG2 1 1
8 1899 1 1 15 ABA HG3 H -2.493 -5.131 -4.004 1.00 . A A . 15 ABA HG3 1 1
8 1900 1 1 15 ABA N N -1.802 -3.381 -0.500 1.00 . A A . 15 ABA N 1 1
8 1901 1 1 15 ABA O O -4.053 -1.935 -0.010 1.00 . A A . 15 ABA O 1 1
8 1902 1 1 16 DHA C C -6.654 -2.506 1.112 1.00 . A A . 16 DHA C 1 1
8 1903 1 1 16 DHA CA C -6.550 -2.987 -0.214 1.00 . A A . 16 DHA CA 1 1
8 1904 1 1 16 DHA CB C -7.580 -2.827 -1.055 1.00 . A A . 16 DHA CB 1 1
8 1905 1 1 16 DHA H H -5.434 -4.488 -1.124 1.00 . A A . 16 DHA H 1 1
8 1906 1 1 16 DHA HB1 H -7.509 -3.189 -2.069 1.00 . A A . 16 DHA HB1 1 1
8 1907 1 1 16 DHA HB2 H -8.482 -2.335 -0.719 1.00 . A A . 16 DHA HB2 1 1
8 1908 1 1 16 DHA N N -5.417 -3.618 -0.661 1.00 . A A . 16 DHA N 1 1
8 1909 1 1 16 DHA O O -7.418 -1.581 1.390 1.00 . A A . 16 DHA O 1 1
8 1910 1 1 17 GLU C C -5.421 -1.153 3.458 1.00 . A A . 17 GLU C 1 1
8 1911 1 1 17 GLU CA C -5.827 -2.626 3.386 1.00 . A A . 17 GLU CA 1 1
8 1912 1 1 17 GLU CB C -4.856 -3.489 4.200 1.00 . A A . 17 GLU CB 1 1
8 1913 1 1 17 GLU CD C -6.181 -3.323 6.348 1.00 . A A . 17 GLU CD 1 1
8 1914 1 1 17 GLU CG C -4.829 -3.163 5.685 1.00 . A A . 17 GLU CG 1 1
8 1915 1 1 17 GLU H H -5.261 -3.806 1.724 1.00 . A A . 17 GLU H 1 1
8 1916 1 1 17 GLU HA H -6.822 -2.733 3.793 1.00 . A A . 17 GLU HA 1 1
8 1917 1 1 17 GLU HB2 H -5.133 -4.526 4.090 1.00 . A A . 17 GLU HB2 1 1
8 1918 1 1 17 GLU HB3 H -3.858 -3.351 3.806 1.00 . A A . 17 GLU HB3 1 1
8 1919 1 1 17 GLU HG2 H -4.127 -3.824 6.171 1.00 . A A . 17 GLU HG2 1 1
8 1920 1 1 17 GLU HG3 H -4.504 -2.141 5.810 1.00 . A A . 17 GLU HG3 1 1
8 1921 1 1 17 GLU N N -5.857 -3.074 2.007 1.00 . A A . 17 GLU N 1 1
8 1922 1 1 17 GLU O O -6.046 -0.363 4.165 1.00 . A A . 17 GLU O 1 1
8 1923 1 1 17 GLU OE1 O -6.792 -4.403 6.201 1.00 . A A . 17 GLU OE1 1 1
8 1924 1 1 17 GLU OE2 O -6.650 -2.365 6.997 1.00 . A A . 17 GLU OE2 1 1
8 1925 1 1 18 CYS C C -3.961 1.155 1.142 1.00 . A A . 18 CYS C 1 1
8 1926 1 1 18 CYS CA C -4.044 0.637 2.576 1.00 . A A . 18 CYS CA 1 1
8 1927 1 1 18 CYS CB C -2.684 0.843 3.231 1.00 . A A . 18 CYS CB 1 1
8 1928 1 1 18 CYS H H -4.063 -1.403 2.005 1.00 . A A . 18 CYS H 1 1
8 1929 1 1 18 CYS HA H -4.780 1.218 3.112 1.00 . A A . 18 CYS HA 1 1
8 1930 1 1 18 CYS HB2 H -1.940 0.502 2.538 1.00 . A A . 18 CYS HB2 1 1
8 1931 1 1 18 CYS HB3 H -2.538 1.897 3.394 1.00 . A A . 18 CYS HB3 1 1
8 1932 1 1 18 CYS N N -4.455 -0.759 2.632 1.00 . A A . 18 CYS N 1 1
8 1933 1 1 18 CYS O O -4.804 1.948 0.719 1.00 . A A . 18 CYS O 1 1
8 1934 1 1 18 CYS SG S -2.431 -0.014 4.804 1.00 . A A . 18 CYS SG 1 1
8 1935 1 1 19 ILE C C -3.519 1.243 -1.871 1.00 . A A . 19 ILE C 1 1
8 1936 1 1 19 ILE CA C -2.496 1.533 -0.772 1.00 . A A . 19 ILE CA 1 1
8 1937 1 1 19 ILE CB C -1.094 1.152 -1.289 1.00 . A A . 19 ILE CB 1 1
8 1938 1 1 19 ILE CD1 C 0.296 -0.720 -2.318 1.00 . A A . 19 ILE CD1 1 1
8 1939 1 1 19 ILE CG1 C -1.034 -0.316 -1.719 1.00 . A A . 19 ILE CG1 1 1
8 1940 1 1 19 ILE CG2 C -0.039 1.450 -0.235 1.00 . A A . 19 ILE CG2 1 1
8 1941 1 1 19 ILE H H -2.124 0.366 0.938 1.00 . A A . 19 ILE H 1 1
8 1942 1 1 19 ILE HA H -2.486 2.586 -0.568 1.00 . A A . 19 ILE HA 1 1
8 1943 1 1 19 ILE HB H -0.888 1.771 -2.141 1.00 . A A . 19 ILE HB 1 1
8 1944 1 1 19 ILE HD11 H 1.052 -0.007 -2.023 1.00 . A A . 19 ILE HD11 1 1
8 1945 1 1 19 ILE HD12 H 0.216 -0.735 -3.394 1.00 . A A . 19 ILE HD12 1 1
8 1946 1 1 19 ILE HD13 H 0.567 -1.702 -1.961 1.00 . A A . 19 ILE HD13 1 1
8 1947 1 1 19 ILE HG12 H -1.213 -0.943 -0.859 1.00 . A A . 19 ILE HG12 1 1
8 1948 1 1 19 ILE HG13 H -1.801 -0.499 -2.458 1.00 . A A . 19 ILE HG13 1 1
8 1949 1 1 19 ILE HG21 H -0.100 0.715 0.554 1.00 . A A . 19 ILE HG21 1 1
8 1950 1 1 19 ILE HG22 H -0.210 2.434 0.179 1.00 . A A . 19 ILE HG22 1 1
8 1951 1 1 19 ILE HG23 H 0.941 1.414 -0.686 1.00 . A A . 19 ILE HG23 1 1
8 1952 1 1 19 ILE N N -2.825 0.881 0.487 1.00 . A A . 19 ILE N 1 1
8 1953 1 1 19 ILE O O -3.651 2.005 -2.824 1.00 . A A . 19 ILE O 1 1
8 1954 1 1 20 TEE CA C -5.060 -0.263 -2.746 1.00 . A A . 20 TEE CA 1 1
8 1955 1 1 20 TEE CB C -5.000 -1.561 -3.289 1.00 . A A . 20 TEE CB 1 1
8 1956 1 1 20 TEE HA H -5.103 -1.166 -2.156 1.00 . A A . 20 TEE HA 1 1
8 1957 1 1 20 TEE HB2 H -5.082 -2.421 -2.639 1.00 . A A . 20 TEE HB2 1 1
8 1958 1 1 20 TEE HN1 H -3.954 -0.465 -0.997 1.00 . A A . 20 TEE HN1 1 1
8 1959 1 1 20 TEE N N -4.174 0.099 -1.770 1.00 . A A . 20 TEE N 1 1
8 1960 1 1 20 TEE SG S -4.143 -3.008 -3.948 1.00 . A A . 20 TEE SG 1 1
9 1961 1 1 1 CYS C C 3.370 6.113 -1.682 1.00 . A A . 1 CYS C 1 1
9 1962 1 1 1 CYS CA C 3.243 7.408 -0.890 1.00 . A A . 1 CYS CA 1 1
9 1963 1 1 1 CYS CB C 2.814 8.552 -1.803 1.00 . A A . 1 CYS CB 1 1
9 1964 1 1 1 CYS H1 H 5.032 8.473 -0.802 1.00 . A A . 1 CYS H1 1 1
9 1965 1 1 1 CYS H2 H 5.127 6.907 -0.161 1.00 . A A . 1 CYS H2 1 1
9 1966 1 1 1 CYS H3 H 4.355 8.136 0.716 1.00 . A A . 1 CYS H3 1 1
9 1967 1 1 1 CYS HA H 2.498 7.273 -0.119 1.00 . A A . 1 CYS HA 1 1
9 1968 1 1 1 CYS HB2 H 2.628 9.429 -1.202 1.00 . A A . 1 CYS HB2 1 1
9 1969 1 1 1 CYS HB3 H 3.613 8.764 -2.499 1.00 . A A . 1 CYS HB3 1 1
9 1970 1 1 1 CYS N N 4.525 7.756 -0.240 1.00 . A A . 1 CYS N 1 1
9 1971 1 1 1 CYS O O 4.447 5.814 -2.201 1.00 . A A . 1 CYS O 1 1
9 1972 1 1 1 CYS SG S 1.326 8.180 -2.743 1.00 . A A . 1 CYS SG 1 1
9 1973 1 1 2 ABA C C 0.971 5.500 0.329 1.00 . A A . 2 ABA C 1 1
9 1974 1 1 2 ABA CA C 0.981 5.647 -1.195 1.00 . A A . 2 ABA CA 1 1
9 1975 1 1 2 ABA CB C 0.501 7.064 -1.590 1.00 . A A . 2 ABA CB 1 1
9 1976 1 1 2 ABA CG C -0.394 6.998 -2.816 1.00 . A A . 2 ABA CG 1 1
9 1977 1 1 2 ABA H H 2.382 4.481 -2.275 1.00 . A A . 2 ABA H 1 1
9 1978 1 1 2 ABA HA H 0.271 4.940 -1.599 1.00 . A A . 2 ABA HA 1 1
9 1979 1 1 2 ABA HB3 H -0.077 7.468 -0.772 1.00 . A A . 2 ABA HB3 1 1
9 1980 1 1 2 ABA HG1 H -0.580 7.997 -3.183 1.00 . A A . 2 ABA HG1 1 1
9 1981 1 1 2 ABA HG2 H -1.330 6.532 -2.552 1.00 . A A . 2 ABA HG2 1 1
9 1982 1 1 2 ABA HG3 H 0.093 6.415 -3.586 1.00 . A A . 2 ABA HG3 1 1
9 1983 1 1 2 ABA N N 2.292 5.325 -1.782 1.00 . A A . 2 ABA N 1 1
9 1984 1 1 2 ABA O O 1.996 5.673 0.995 1.00 . A A . 2 ABA O 1 1
9 1985 1 1 3 PHE C C 0.431 3.525 2.608 1.00 . A A . 3 PHE C 1 1
9 1986 1 1 3 PHE CA C -0.287 4.830 2.286 1.00 . A A . 3 PHE CA 1 1
9 1987 1 1 3 PHE CB C -1.756 4.764 2.719 1.00 . A A . 3 PHE CB 1 1
9 1988 1 1 3 PHE CD1 C -1.128 5.335 5.084 1.00 . A A . 3 PHE CD1 1 1
9 1989 1 1 3 PHE CD2 C -2.914 3.798 4.726 1.00 . A A . 3 PHE CD2 1 1
9 1990 1 1 3 PHE CE1 C -1.290 5.211 6.451 1.00 . A A . 3 PHE CE1 1 1
9 1991 1 1 3 PHE CE2 C -3.082 3.670 6.090 1.00 . A A . 3 PHE CE2 1 1
9 1992 1 1 3 PHE CG C -1.938 4.632 4.206 1.00 . A A . 3 PHE CG 1 1
9 1993 1 1 3 PHE CZ C -2.268 4.373 6.954 1.00 . A A . 3 PHE CZ 1 1
9 1994 1 1 3 PHE H H -0.948 4.928 0.278 1.00 . A A . 3 PHE H 1 1
9 1995 1 1 3 PHE HA H 0.200 5.634 2.818 1.00 . A A . 3 PHE HA 1 1
9 1996 1 1 3 PHE HB2 H -2.257 5.666 2.403 1.00 . A A . 3 PHE HB2 1 1
9 1997 1 1 3 PHE HB3 H -2.227 3.913 2.248 1.00 . A A . 3 PHE HB3 1 1
9 1998 1 1 3 PHE HD1 H -0.365 5.990 4.689 1.00 . A A . 3 PHE HD1 1 1
9 1999 1 1 3 PHE HD2 H -3.549 3.243 4.052 1.00 . A A . 3 PHE HD2 1 1
9 2000 1 1 3 PHE HE1 H -0.650 5.762 7.127 1.00 . A A . 3 PHE HE1 1 1
9 2001 1 1 3 PHE HE2 H -3.849 3.017 6.481 1.00 . A A . 3 PHE HE2 1 1
9 2002 1 1 3 PHE HZ H -2.397 4.273 8.021 1.00 . A A . 3 PHE HZ 1 1
9 2003 1 1 3 PHE N N -0.174 5.108 0.867 1.00 . A A . 3 PHE N 1 1
9 2004 1 1 3 PHE O O 0.039 2.454 2.140 1.00 . A A . 3 PHE O 1 1
9 2005 1 1 4 ABA C C 3.829 2.802 3.199 1.00 . A A . 4 ABA C 1 1
9 2006 1 1 4 ABA CA C 2.387 2.497 3.610 1.00 . A A . 4 ABA CA 1 1
9 2007 1 1 4 ABA CB C 2.322 2.111 5.111 1.00 . A A . 4 ABA CB 1 1
9 2008 1 1 4 ABA CG C 0.881 1.933 5.568 1.00 . A A . 4 ABA CG 1 1
9 2009 1 1 4 ABA H H 1.845 4.534 3.580 1.00 . A A . 4 ABA H 1 1
9 2010 1 1 4 ABA HA H 2.036 1.654 3.021 1.00 . A A . 4 ABA HA 1 1
9 2011 1 1 4 ABA HB3 H 2.831 1.172 5.242 1.00 . A A . 4 ABA HB3 1 1
9 2012 1 1 4 ABA HG1 H 0.307 2.805 5.293 1.00 . A A . 4 ABA HG1 1 1
9 2013 1 1 4 ABA HG2 H 0.858 1.808 6.641 1.00 . A A . 4 ABA HG2 1 1
9 2014 1 1 4 ABA HG3 H 0.458 1.060 5.093 1.00 . A A . 4 ABA HG3 1 1
9 2015 1 1 4 ABA N N 1.543 3.640 3.313 1.00 . A A . 4 ABA N 1 1
9 2016 1 1 4 ABA O O 4.334 2.257 2.213 1.00 . A A . 4 ABA O 1 1
9 2017 1 1 5 LEU C C 6.938 3.338 3.706 1.00 . A A . 5 LEU C 1 1
9 2018 1 1 5 LEU CA C 5.744 4.303 3.479 1.00 . A A . 5 LEU CA 1 1
9 2019 1 1 5 LEU CB C 6.004 5.651 4.171 1.00 . A A . 5 LEU CB 1 1
9 2020 1 1 5 LEU CD1 C 7.175 5.330 6.379 1.00 . A A . 5 LEU CD1 1 1
9 2021 1 1 5 LEU CD2 C 5.359 7.032 6.157 1.00 . A A . 5 LEU CD2 1 1
9 2022 1 1 5 LEU CG C 5.858 5.672 5.697 1.00 . A A . 5 LEU CG 1 1
9 2023 1 1 5 LEU H H 3.922 4.258 4.566 1.00 . A A . 5 LEU H 1 1
9 2024 1 1 5 LEU HA H 5.692 4.495 2.417 1.00 . A A . 5 LEU HA 1 1
9 2025 1 1 5 LEU HB2 H 7.008 5.964 3.928 1.00 . A A . 5 LEU HB2 1 1
9 2026 1 1 5 LEU HB3 H 5.316 6.374 3.760 1.00 . A A . 5 LEU HB3 1 1
9 2027 1 1 5 LEU HD11 H 7.989 5.797 5.843 1.00 . A A . 5 LEU HD11 1 1
9 2028 1 1 5 LEU HD12 H 7.313 4.259 6.380 1.00 . A A . 5 LEU HD12 1 1
9 2029 1 1 5 LEU HD13 H 7.159 5.693 7.397 1.00 . A A . 5 LEU HD13 1 1
9 2030 1 1 5 LEU HD21 H 5.480 7.749 5.359 1.00 . A A . 5 LEU HD21 1 1
9 2031 1 1 5 LEU HD22 H 5.929 7.351 7.017 1.00 . A A . 5 LEU HD22 1 1
9 2032 1 1 5 LEU HD23 H 4.314 6.962 6.423 1.00 . A A . 5 LEU HD23 1 1
9 2033 1 1 5 LEU HG H 5.130 4.934 5.991 1.00 . A A . 5 LEU HG 1 1
9 2034 1 1 5 LEU N N 4.428 3.786 3.864 1.00 . A A . 5 LEU N 1 1
9 2035 1 1 5 LEU O O 7.945 3.479 3.015 1.00 . A A . 5 LEU O 1 1
9 2036 1 1 6 PRO C C 8.100 0.317 4.025 1.00 . A A . 6 PRO C 1 1
9 2037 1 1 6 PRO CA C 8.061 1.528 4.950 1.00 . A A . 6 PRO CA 1 1
9 2038 1 1 6 PRO CB C 7.866 1.090 6.413 1.00 . A A . 6 PRO CB 1 1
9 2039 1 1 6 PRO CD C 5.847 2.104 5.640 1.00 . A A . 6 PRO CD 1 1
9 2040 1 1 6 PRO CG C 6.616 1.765 6.878 1.00 . A A . 6 PRO CG 1 1
9 2041 1 1 6 PRO HA H 8.990 2.071 4.860 1.00 . A A . 6 PRO HA 1 1
9 2042 1 1 6 PRO HB2 H 7.773 0.016 6.456 1.00 . A A . 6 PRO HB2 1 1
9 2043 1 1 6 PRO HB3 H 8.719 1.403 6.997 1.00 . A A . 6 PRO HB3 1 1
9 2044 1 1 6 PRO HD2 H 5.258 1.258 5.317 1.00 . A A . 6 PRO HD2 1 1
9 2045 1 1 6 PRO HD3 H 5.223 2.962 5.792 1.00 . A A . 6 PRO HD3 1 1
9 2046 1 1 6 PRO HG2 H 6.046 1.091 7.500 1.00 . A A . 6 PRO HG2 1 1
9 2047 1 1 6 PRO HG3 H 6.865 2.664 7.426 1.00 . A A . 6 PRO HG3 1 1
9 2048 1 1 6 PRO N N 6.914 2.393 4.684 1.00 . A A . 6 PRO N 1 1
9 2049 1 1 6 PRO O O 7.084 -0.058 3.430 1.00 . A A . 6 PRO O 1 1
9 2050 1 1 7 GLY C C 9.700 -2.685 3.730 1.00 . A A . 7 GLY C 1 1
9 2051 1 1 7 GLY CA C 9.450 -1.391 2.985 1.00 . A A . 7 GLY CA 1 1
9 2052 1 1 7 GLY H H 10.063 0.110 4.347 1.00 . A A . 7 GLY H 1 1
9 2053 1 1 7 GLY HA2 H 8.556 -1.500 2.388 1.00 . A A . 7 GLY HA2 1 1
9 2054 1 1 7 GLY HA3 H 10.287 -1.199 2.330 1.00 . A A . 7 GLY HA3 1 1
9 2055 1 1 7 GLY N N 9.283 -0.262 3.874 1.00 . A A . 7 GLY N 1 1
9 2056 1 1 7 GLY O O 10.811 -3.218 3.716 1.00 . A A . 7 GLY O 1 1
9 2057 1 1 8 GLY C C 7.948 -5.547 4.365 1.00 . A A . 8 GLY C 1 1
9 2058 1 1 8 GLY CA C 8.757 -4.471 5.048 1.00 . A A . 8 GLY CA 1 1
9 2059 1 1 8 GLY H H 7.788 -2.747 4.307 1.00 . A A . 8 GLY H 1 1
9 2060 1 1 8 GLY HA2 H 9.795 -4.772 5.079 1.00 . A A . 8 GLY HA2 1 1
9 2061 1 1 8 GLY HA3 H 8.396 -4.342 6.058 1.00 . A A . 8 GLY HA3 1 1
9 2062 1 1 8 GLY N N 8.654 -3.211 4.346 1.00 . A A . 8 GLY N 1 1
9 2063 1 1 8 GLY O O 6.720 -5.562 4.465 1.00 . A A . 8 GLY O 1 1
9 2064 1 1 9 GLY C C 7.317 -6.544 1.465 1.00 . A A . 9 GLY C 1 1
9 2065 1 1 9 GLY CA C 7.906 -7.251 2.664 1.00 . A A . 9 GLY CA 1 1
9 2066 1 1 9 GLY H H 9.566 -6.142 3.357 1.00 . A A . 9 GLY H 1 1
9 2067 1 1 9 GLY HA2 H 8.597 -8.012 2.325 1.00 . A A . 9 GLY HA2 1 1
9 2068 1 1 9 GLY HA3 H 7.112 -7.717 3.228 1.00 . A A . 9 GLY HA3 1 1
9 2069 1 1 9 GLY N N 8.611 -6.316 3.515 1.00 . A A . 9 GLY N 1 1
9 2070 1 1 9 GLY O O 6.173 -6.789 1.077 1.00 . A A . 9 GLY O 1 1
9 2071 1 1 10 GLY C C 7.255 -3.343 0.382 1.00 . A A . 10 GLY C 1 1
9 2072 1 1 10 GLY CA C 7.582 -4.735 -0.110 1.00 . A A . 10 GLY CA 1 1
9 2073 1 1 10 GLY H H 8.927 -5.370 1.385 1.00 . A A . 10 GLY H 1 1
9 2074 1 1 10 GLY HA2 H 8.346 -4.674 -0.871 1.00 . A A . 10 GLY HA2 1 1
9 2075 1 1 10 GLY HA3 H 6.694 -5.177 -0.533 1.00 . A A . 10 GLY HA3 1 1
9 2076 1 1 10 GLY N N 8.059 -5.568 0.968 1.00 . A A . 10 GLY N 1 1
9 2077 1 1 10 GLY O O 8.143 -2.509 0.544 1.00 . A A . 10 GLY O 1 1
9 2078 1 1 11 VAL C C 4.426 -2.172 2.313 1.00 . A A . 11 VAL C 1 1
9 2079 1 1 11 VAL CA C 5.532 -1.898 1.336 1.00 . A A . 11 VAL CA 1 1
9 2080 1 1 11 VAL CB C 5.004 -0.880 0.295 1.00 . A A . 11 VAL CB 1 1
9 2081 1 1 11 VAL CG1 C 6.145 -0.263 -0.499 1.00 . A A . 11 VAL CG1 1 1
9 2082 1 1 11 VAL CG2 C 3.999 -1.539 -0.642 1.00 . A A . 11 VAL CG2 1 1
9 2083 1 1 11 VAL H H 5.362 -3.891 0.661 1.00 . A A . 11 VAL H 1 1
9 2084 1 1 11 VAL HA H 6.348 -1.436 1.886 1.00 . A A . 11 VAL HA 1 1
9 2085 1 1 11 VAL HB H 4.494 -0.084 0.830 1.00 . A A . 11 VAL HB 1 1
9 2086 1 1 11 VAL HG11 H 7.033 -0.863 -0.374 1.00 . A A . 11 VAL HG11 1 1
9 2087 1 1 11 VAL HG12 H 6.334 0.739 -0.142 1.00 . A A . 11 VAL HG12 1 1
9 2088 1 1 11 VAL HG13 H 5.878 -0.227 -1.546 1.00 . A A . 11 VAL HG13 1 1
9 2089 1 1 11 VAL HG21 H 3.012 -1.145 -0.447 1.00 . A A . 11 VAL HG21 1 1
9 2090 1 1 11 VAL HG22 H 4.000 -2.606 -0.476 1.00 . A A . 11 VAL HG22 1 1
9 2091 1 1 11 VAL HG23 H 4.274 -1.334 -1.667 1.00 . A A . 11 VAL HG23 1 1
9 2092 1 1 11 VAL N N 5.997 -3.144 0.737 1.00 . A A . 11 VAL N 1 1
9 2093 1 1 11 VAL O O 3.651 -3.118 2.165 1.00 . A A . 11 VAL O 1 1
9 2094 1 1 12 CYS C C 1.946 -0.816 3.420 1.00 . A A . 12 CYS C 1 1
9 2095 1 1 12 CYS CA C 3.205 -1.257 4.159 1.00 . A A . 12 CYS CA 1 1
9 2096 1 1 12 CYS CB C 3.571 -0.327 5.310 1.00 . A A . 12 CYS CB 1 1
9 2097 1 1 12 CYS H H 4.935 -0.515 3.249 1.00 . A A . 12 CYS H 1 1
9 2098 1 1 12 CYS HA H 3.064 -2.259 4.540 1.00 . A A . 12 CYS HA 1 1
9 2099 1 1 12 CYS HB2 H 4.053 -0.910 6.073 1.00 . A A . 12 CYS HB2 1 1
9 2100 1 1 12 CYS HB3 H 4.280 0.402 4.940 1.00 . A A . 12 CYS HB3 1 1
9 2101 1 1 12 CYS N N 4.310 -1.273 3.247 1.00 . A A . 12 CYS N 1 1
9 2102 1 1 12 CYS O O 2.032 -0.105 2.416 1.00 . A A . 12 CYS O 1 1
9 2103 1 1 12 CYS SG S 2.192 0.567 6.046 1.00 . A A . 12 CYS SG 1 1
9 2104 1 1 13 ABA C C -0.432 -1.717 1.752 1.00 . A A . 13 ABA C 1 1
9 2105 1 1 13 ABA CA C -0.443 -1.056 3.117 1.00 . A A . 13 ABA CA 1 1
9 2106 1 1 13 ABA CB C -1.690 -1.546 3.887 1.00 . A A . 13 ABA CB 1 1
9 2107 1 1 13 ABA CG C -1.503 -1.390 5.388 1.00 . A A . 13 ABA CG 1 1
9 2108 1 1 13 ABA H H 0.795 -1.979 4.572 1.00 . A A . 13 ABA H 1 1
9 2109 1 1 13 ABA HA H -0.515 0.016 2.979 1.00 . A A . 13 ABA HA 1 1
9 2110 1 1 13 ABA HB3 H -1.823 -2.599 3.668 1.00 . A A . 13 ABA HB3 1 1
9 2111 1 1 13 ABA HG1 H -1.009 -2.266 5.781 1.00 . A A . 13 ABA HG1 1 1
9 2112 1 1 13 ABA HG2 H -2.467 -1.279 5.862 1.00 . A A . 13 ABA HG2 1 1
9 2113 1 1 13 ABA HG3 H -0.901 -0.516 5.588 1.00 . A A . 13 ABA HG3 1 1
9 2114 1 1 13 ABA N N 0.798 -1.336 3.826 1.00 . A A . 13 ABA N 1 1
9 2115 1 1 13 ABA O O -0.985 -1.183 0.793 1.00 . A A . 13 ABA O 1 1
9 2116 1 1 14 LEU C C -1.050 -4.260 0.077 1.00 . A A . 14 LEU C 1 1
9 2117 1 1 14 LEU CA C 0.286 -3.608 0.433 1.00 . A A . 14 LEU CA 1 1
9 2118 1 1 14 LEU CB C 1.387 -4.659 0.547 1.00 . A A . 14 LEU CB 1 1
9 2119 1 1 14 LEU CD1 C 1.834 -4.880 -1.905 1.00 . A A . 14 LEU CD1 1 1
9 2120 1 1 14 LEU CD2 C 2.485 -6.718 -0.334 1.00 . A A . 14 LEU CD2 1 1
9 2121 1 1 14 LEU CG C 1.477 -5.621 -0.622 1.00 . A A . 14 LEU CG 1 1
9 2122 1 1 14 LEU H H 0.581 -3.274 2.474 1.00 . A A . 14 LEU H 1 1
9 2123 1 1 14 LEU HA H 0.550 -2.909 -0.345 1.00 . A A . 14 LEU HA 1 1
9 2124 1 1 14 LEU HB2 H 2.335 -4.148 0.641 1.00 . A A . 14 LEU HB2 1 1
9 2125 1 1 14 LEU HB3 H 1.217 -5.233 1.445 1.00 . A A . 14 LEU HB3 1 1
9 2126 1 1 14 LEU HD11 H 0.964 -4.828 -2.543 1.00 . A A . 14 LEU HD11 1 1
9 2127 1 1 14 LEU HD12 H 2.625 -5.408 -2.417 1.00 . A A . 14 LEU HD12 1 1
9 2128 1 1 14 LEU HD13 H 2.164 -3.882 -1.663 1.00 . A A . 14 LEU HD13 1 1
9 2129 1 1 14 LEU HD21 H 3.029 -6.480 0.568 1.00 . A A . 14 LEU HD21 1 1
9 2130 1 1 14 LEU HD22 H 3.177 -6.797 -1.160 1.00 . A A . 14 LEU HD22 1 1
9 2131 1 1 14 LEU HD23 H 1.968 -7.658 -0.206 1.00 . A A . 14 LEU HD23 1 1
9 2132 1 1 14 LEU HG H 0.510 -6.076 -0.750 1.00 . A A . 14 LEU HG 1 1
9 2133 1 1 14 LEU N N 0.191 -2.879 1.671 1.00 . A A . 14 LEU N 1 1
9 2134 1 1 14 LEU O O -1.286 -5.434 0.368 1.00 . A A . 14 LEU O 1 1
9 2135 1 1 15 ABA C C -4.367 -3.178 -0.387 1.00 . A A . 15 ABA C 1 1
9 2136 1 1 15 ABA CA C -3.219 -3.997 -0.965 1.00 . A A . 15 ABA CA 1 1
9 2137 1 1 15 ABA CB C -3.352 -4.011 -2.509 1.00 . A A . 15 ABA CB 1 1
9 2138 1 1 15 ABA CG C -2.051 -3.576 -3.173 1.00 . A A . 15 ABA CG 1 1
9 2139 1 1 15 ABA H H -1.717 -2.533 -0.672 1.00 . A A . 15 ABA H 1 1
9 2140 1 1 15 ABA HA H -3.303 -5.014 -0.612 1.00 . A A . 15 ABA HA 1 1
9 2141 1 1 15 ABA HB3 H -4.125 -3.313 -2.790 1.00 . A A . 15 ABA HB3 1 1
9 2142 1 1 15 ABA HG1 H -1.225 -4.112 -2.729 1.00 . A A . 15 ABA HG1 1 1
9 2143 1 1 15 ABA HG2 H -1.912 -2.515 -3.028 1.00 . A A . 15 ABA HG2 1 1
9 2144 1 1 15 ABA HG3 H -2.094 -3.792 -4.229 1.00 . A A . 15 ABA HG3 1 1
9 2145 1 1 15 ABA N N -1.928 -3.484 -0.536 1.00 . A A . 15 ABA N 1 1
9 2146 1 1 15 ABA O O -4.198 -1.999 -0.071 1.00 . A A . 15 ABA O 1 1
9 2147 1 1 16 DHA C C -6.763 -2.415 1.278 1.00 . A A . 16 DHA C 1 1
9 2148 1 1 16 DHA CA C -6.678 -3.121 0.054 1.00 . A A . 16 DHA CA 1 1
9 2149 1 1 16 DHA CB C -7.740 -3.131 -0.764 1.00 . A A . 16 DHA CB 1 1
9 2150 1 1 16 DHA H H -5.556 -4.734 -0.630 1.00 . A A . 16 DHA H 1 1
9 2151 1 1 16 DHA HB1 H -7.696 -3.663 -1.702 1.00 . A A . 16 DHA HB1 1 1
9 2152 1 1 16 DHA HB2 H -8.645 -2.611 -0.480 1.00 . A A . 16 DHA HB2 1 1
9 2153 1 1 16 DHA N N -5.544 -3.799 -0.327 1.00 . A A . 16 DHA N 1 1
9 2154 1 1 16 DHA O O -7.529 -1.455 1.395 1.00 . A A . 16 DHA O 1 1
9 2155 1 1 17 GLU C C -5.514 -0.769 3.488 1.00 . A A . 17 GLU C 1 1
9 2156 1 1 17 GLU CA C -6.016 -2.208 3.572 1.00 . A A . 17 GLU CA 1 1
9 2157 1 1 17 GLU CB C -5.170 -3.006 4.567 1.00 . A A . 17 GLU CB 1 1
9 2158 1 1 17 GLU CD C -6.571 -2.548 6.625 1.00 . A A . 17 GLU CD 1 1
9 2159 1 1 17 GLU CG C -5.200 -2.454 5.983 1.00 . A A . 17 GLU CG 1 1
9 2160 1 1 17 GLU H H -5.416 -3.625 2.120 1.00 . A A . 17 GLU H 1 1
9 2161 1 1 17 GLU HA H -7.038 -2.194 3.920 1.00 . A A . 17 GLU HA 1 1
9 2162 1 1 17 GLU HB2 H -5.532 -4.022 4.594 1.00 . A A . 17 GLU HB2 1 1
9 2163 1 1 17 GLU HB3 H -4.144 -3.008 4.228 1.00 . A A . 17 GLU HB3 1 1
9 2164 1 1 17 GLU HG2 H -4.499 -3.011 6.587 1.00 . A A . 17 GLU HG2 1 1
9 2165 1 1 17 GLU HG3 H -4.902 -1.415 5.957 1.00 . A A . 17 GLU HG3 1 1
9 2166 1 1 17 GLU N N -5.999 -2.845 2.266 1.00 . A A . 17 GLU N 1 1
9 2167 1 1 17 GLU O O -5.995 0.107 4.207 1.00 . A A . 17 GLU O 1 1
9 2168 1 1 17 GLU OE1 O -7.515 -1.883 6.145 1.00 . A A . 17 GLU OE1 1 1
9 2169 1 1 17 GLU OE2 O -6.706 -3.284 7.621 1.00 . A A . 17 GLU OE2 1 1
9 2170 1 1 18 CYS C C -3.918 1.277 1.010 1.00 . A A . 18 CYS C 1 1
9 2171 1 1 18 CYS CA C -4.025 0.832 2.467 1.00 . A A . 18 CYS CA 1 1
9 2172 1 1 18 CYS CB C -2.639 0.936 3.092 1.00 . A A . 18 CYS CB 1 1
9 2173 1 1 18 CYS H H -4.222 -1.234 2.026 1.00 . A A . 18 CYS H 1 1
9 2174 1 1 18 CYS HA H -4.691 1.504 2.987 1.00 . A A . 18 CYS HA 1 1
9 2175 1 1 18 CYS HB2 H -1.927 0.614 2.357 1.00 . A A . 18 CYS HB2 1 1
9 2176 1 1 18 CYS HB3 H -2.445 1.969 3.327 1.00 . A A . 18 CYS HB3 1 1
9 2177 1 1 18 CYS N N -4.561 -0.513 2.600 1.00 . A A . 18 CYS N 1 1
9 2178 1 1 18 CYS O O -4.710 2.098 0.547 1.00 . A A . 18 CYS O 1 1
9 2179 1 1 18 CYS SG S -2.392 -0.041 4.592 1.00 . A A . 18 CYS SG 1 1
9 2180 1 1 19 ILE C C -3.400 1.124 -2.004 1.00 . A A . 19 ILE C 1 1
9 2181 1 1 19 ILE CA C -2.399 1.483 -0.893 1.00 . A A . 19 ILE CA 1 1
9 2182 1 1 19 ILE CB C -0.952 1.044 -1.273 1.00 . A A . 19 ILE CB 1 1
9 2183 1 1 19 ILE CD1 C -0.625 2.635 -3.241 1.00 . A A . 19 ILE CD1 1 1
9 2184 1 1 19 ILE CG1 C -0.160 2.214 -1.871 1.00 . A A . 19 ILE CG1 1 1
9 2185 1 1 19 ILE CG2 C -0.941 -0.151 -2.221 1.00 . A A . 19 ILE CG2 1 1
9 2186 1 1 19 ILE H H -2.125 0.395 0.889 1.00 . A A . 19 ILE H 1 1
9 2187 1 1 19 ILE HA H -2.386 2.550 -0.766 1.00 . A A . 19 ILE HA 1 1
9 2188 1 1 19 ILE HB H -0.462 0.737 -0.370 1.00 . A A . 19 ILE HB 1 1
9 2189 1 1 19 ILE HD11 H -1.177 3.559 -3.164 1.00 . A A . 19 ILE HD11 1 1
9 2190 1 1 19 ILE HD12 H -1.263 1.865 -3.646 1.00 . A A . 19 ILE HD12 1 1
9 2191 1 1 19 ILE HD13 H 0.229 2.775 -3.884 1.00 . A A . 19 ILE HD13 1 1
9 2192 1 1 19 ILE HG12 H -0.246 3.069 -1.217 1.00 . A A . 19 ILE HG12 1 1
9 2193 1 1 19 ILE HG13 H 0.880 1.931 -1.947 1.00 . A A . 19 ILE HG13 1 1
9 2194 1 1 19 ILE HG21 H -0.812 0.195 -3.236 1.00 . A A . 19 ILE HG21 1 1
9 2195 1 1 19 ILE HG22 H -1.878 -0.682 -2.139 1.00 . A A . 19 ILE HG22 1 1
9 2196 1 1 19 ILE HG23 H -0.129 -0.812 -1.957 1.00 . A A . 19 ILE HG23 1 1
9 2197 1 1 19 ILE N N -2.789 0.920 0.391 1.00 . A A . 19 ILE N 1 1
9 2198 1 1 19 ILE O O -3.611 1.894 -2.946 1.00 . A A . 19 ILE O 1 1
9 2199 1 1 20 TEE CA C -4.943 -0.427 -2.820 1.00 . A A . 20 TEE CA 1 1
9 2200 1 1 20 TEE CB C -4.819 -1.697 -3.421 1.00 . A A . 20 TEE CB 1 1
9 2201 1 1 20 TEE HA H -5.609 -0.697 -2.014 1.00 . A A . 20 TEE HA 1 1
9 2202 1 1 20 TEE HB2 H -3.843 -2.140 -3.548 1.00 . A A . 20 TEE HB2 1 1
9 2203 1 1 20 TEE HN1 H -3.828 -0.561 -1.071 1.00 . A A . 20 TEE HN1 1 1
9 2204 1 1 20 TEE N N -4.036 -0.033 -1.872 1.00 . A A . 20 TEE N 1 1
9 2205 1 1 20 TEE SG S -4.749 -3.498 -3.533 1.00 . A A . 20 TEE SG 1 1
10 2206 1 1 1 CYS C C 2.567 7.355 -2.309 1.00 . A A . 1 CYS C 1 1
10 2207 1 1 1 CYS CA C 1.562 7.574 -3.450 1.00 . A A . 1 CYS CA 1 1
10 2208 1 1 1 CYS CB C 0.393 6.601 -3.372 1.00 . A A . 1 CYS CB 1 1
10 2209 1 1 1 CYS H1 H 1.536 7.045 -5.460 1.00 . A A . 1 CYS H1 1 1
10 2210 1 1 1 CYS H2 H 2.968 6.619 -4.651 1.00 . A A . 1 CYS H2 1 1
10 2211 1 1 1 CYS H3 H 2.679 8.237 -5.071 1.00 . A A . 1 CYS H3 1 1
10 2212 1 1 1 CYS HA H 1.195 8.590 -3.414 1.00 . A A . 1 CYS HA 1 1
10 2213 1 1 1 CYS HB2 H 0.041 6.399 -4.374 1.00 . A A . 1 CYS HB2 1 1
10 2214 1 1 1 CYS HB3 H 0.736 5.678 -2.929 1.00 . A A . 1 CYS HB3 1 1
10 2215 1 1 1 CYS N N 2.231 7.354 -4.747 1.00 . A A . 1 CYS N 1 1
10 2216 1 1 1 CYS O O 3.760 7.576 -2.517 1.00 . A A . 1 CYS O 1 1
10 2217 1 1 1 CYS SG S -0.990 7.214 -2.399 1.00 . A A . 1 CYS SG 1 1
10 2218 1 1 2 ABA C C 0.706 6.086 0.662 1.00 . A A . 2 ABA C 1 1
10 2219 1 1 2 ABA CA C 0.756 6.574 -0.783 1.00 . A A . 2 ABA CA 1 1
10 2220 1 1 2 ABA CB C -0.143 7.821 -0.925 1.00 . A A . 2 ABA CB 1 1
10 2221 1 1 2 ABA CG C -1.617 7.444 -1.049 1.00 . A A . 2 ABA CG 1 1
10 2222 1 1 2 ABA H H 2.825 6.749 -0.420 1.00 . A A . 2 ABA H 1 1
10 2223 1 1 2 ABA HA H 0.392 5.796 -1.438 1.00 . A A . 2 ABA HA 1 1
10 2224 1 1 2 ABA HB3 H -0.037 8.396 -0.021 1.00 . A A . 2 ABA HB3 1 1
10 2225 1 1 2 ABA HG1 H -2.092 8.064 -1.798 1.00 . A A . 2 ABA HG1 1 1
10 2226 1 1 2 ABA HG2 H -2.104 7.600 -0.098 1.00 . A A . 2 ABA HG2 1 1
10 2227 1 1 2 ABA HG3 H -1.705 6.402 -1.327 1.00 . A A . 2 ABA HG3 1 1
10 2228 1 1 2 ABA N N 2.150 6.867 -1.128 1.00 . A A . 2 ABA N 1 1
10 2229 1 1 2 ABA O O 1.693 6.215 1.390 1.00 . A A . 2 ABA O 1 1
10 2230 1 1 3 PHE C C 0.293 3.809 2.649 1.00 . A A . 3 PHE C 1 1
10 2231 1 1 3 PHE CA C -0.584 5.044 2.441 1.00 . A A . 3 PHE CA 1 1
10 2232 1 1 3 PHE CB C -2.052 4.723 2.736 1.00 . A A . 3 PHE CB 1 1
10 2233 1 1 3 PHE CD1 C -1.824 5.580 5.087 1.00 . A A . 3 PHE CD1 1 1
10 2234 1 1 3 PHE CD2 C -3.204 3.675 4.706 1.00 . A A . 3 PHE CD2 1 1
10 2235 1 1 3 PHE CE1 C -2.107 5.518 6.438 1.00 . A A . 3 PHE CE1 1 1
10 2236 1 1 3 PHE CE2 C -3.488 3.606 6.056 1.00 . A A . 3 PHE CE2 1 1
10 2237 1 1 3 PHE CG C -2.369 4.662 4.206 1.00 . A A . 3 PHE CG 1 1
10 2238 1 1 3 PHE CZ C -2.971 4.570 6.917 1.00 . A A . 3 PHE CZ 1 1
10 2239 1 1 3 PHE H H -1.187 5.492 0.456 1.00 . A A . 3 PHE H 1 1
10 2240 1 1 3 PHE HA H -0.251 5.821 3.114 1.00 . A A . 3 PHE HA 1 1
10 2241 1 1 3 PHE HB2 H -2.675 5.485 2.292 1.00 . A A . 3 PHE HB2 1 1
10 2242 1 1 3 PHE HB3 H -2.300 3.765 2.300 1.00 . A A . 3 PHE HB3 1 1
10 2243 1 1 3 PHE HD1 H -1.174 6.357 4.710 1.00 . A A . 3 PHE HD1 1 1
10 2244 1 1 3 PHE HD2 H -3.634 2.954 4.028 1.00 . A A . 3 PHE HD2 1 1
10 2245 1 1 3 PHE HE1 H -1.678 6.244 7.115 1.00 . A A . 3 PHE HE1 1 1
10 2246 1 1 3 PHE HE2 H -4.139 2.831 6.432 1.00 . A A . 3 PHE HE2 1 1
10 2247 1 1 3 PHE HZ H -3.205 4.536 7.970 1.00 . A A . 3 PHE HZ 1 1
10 2248 1 1 3 PHE N N -0.429 5.544 1.078 1.00 . A A . 3 PHE N 1 1
10 2249 1 1 3 PHE O O -0.060 2.701 2.244 1.00 . A A . 3 PHE O 1 1
10 2250 1 1 4 ABA C C 3.902 3.645 3.096 1.00 . A A . 4 ABA C 1 1
10 2251 1 1 4 ABA CA C 2.513 3.018 3.307 1.00 . A A . 4 ABA CA 1 1
10 2252 1 1 4 ABA CB C 2.424 2.312 4.687 1.00 . A A . 4 ABA CB 1 1
10 2253 1 1 4 ABA CG C 1.831 3.226 5.751 1.00 . A A . 4 ABA CG 1 1
10 2254 1 1 4 ABA H H 1.735 4.979 3.363 1.00 . A A . 4 ABA H 1 1
10 2255 1 1 4 ABA HA H 2.357 2.270 2.532 1.00 . A A . 4 ABA HA 1 1
10 2256 1 1 4 ABA HB3 H 3.417 2.019 4.994 1.00 . A A . 4 ABA HB3 1 1
10 2257 1 1 4 ABA HG1 H 2.034 4.256 5.495 1.00 . A A . 4 ABA HG1 1 1
10 2258 1 1 4 ABA HG2 H 2.276 2.999 6.708 1.00 . A A . 4 ABA HG2 1 1
10 2259 1 1 4 ABA HG3 H 0.763 3.072 5.804 1.00 . A A . 4 ABA HG3 1 1
10 2260 1 1 4 ABA N N 1.493 4.050 3.160 1.00 . A A . 4 ABA N 1 1
10 2261 1 1 4 ABA O O 4.235 4.017 1.969 1.00 . A A . 4 ABA O 1 1
10 2262 1 1 5 LEU C C 6.935 3.983 3.189 1.00 . A A . 5 LEU C 1 1
10 2263 1 1 5 LEU CA C 5.893 4.669 4.088 1.00 . A A . 5 LEU CA 1 1
10 2264 1 1 5 LEU CB C 6.492 4.920 5.478 1.00 . A A . 5 LEU CB 1 1
10 2265 1 1 5 LEU CD1 C 4.466 5.782 6.701 1.00 . A A . 5 LEU CD1 1 1
10 2266 1 1 5 LEU CD2 C 6.753 6.410 7.478 1.00 . A A . 5 LEU CD2 1 1
10 2267 1 1 5 LEU CG C 5.888 6.088 6.269 1.00 . A A . 5 LEU CG 1 1
10 2268 1 1 5 LEU H H 4.258 3.740 5.068 1.00 . A A . 5 LEU H 1 1
10 2269 1 1 5 LEU HA H 5.659 5.624 3.648 1.00 . A A . 5 LEU HA 1 1
10 2270 1 1 5 LEU HB2 H 6.371 4.020 6.064 1.00 . A A . 5 LEU HB2 1 1
10 2271 1 1 5 LEU HB3 H 7.548 5.107 5.359 1.00 . A A . 5 LEU HB3 1 1
10 2272 1 1 5 LEU HD11 H 4.168 6.476 7.473 1.00 . A A . 5 LEU HD11 1 1
10 2273 1 1 5 LEU HD12 H 4.415 4.773 7.084 1.00 . A A . 5 LEU HD12 1 1
10 2274 1 1 5 LEU HD13 H 3.804 5.881 5.853 1.00 . A A . 5 LEU HD13 1 1
10 2275 1 1 5 LEU HD21 H 7.380 7.261 7.254 1.00 . A A . 5 LEU HD21 1 1
10 2276 1 1 5 LEU HD22 H 7.374 5.559 7.715 1.00 . A A . 5 LEU HD22 1 1
10 2277 1 1 5 LEU HD23 H 6.122 6.642 8.322 1.00 . A A . 5 LEU HD23 1 1
10 2278 1 1 5 LEU HG H 5.859 6.963 5.637 1.00 . A A . 5 LEU HG 1 1
10 2279 1 1 5 LEU N N 4.630 3.925 4.180 1.00 . A A . 5 LEU N 1 1
10 2280 1 1 5 LEU O O 7.480 4.632 2.295 1.00 . A A . 5 LEU O 1 1
10 2281 1 1 6 PRO C C 8.020 2.010 1.140 1.00 . A A . 6 PRO C 1 1
10 2282 1 1 6 PRO CA C 8.306 1.992 2.640 1.00 . A A . 6 PRO CA 1 1
10 2283 1 1 6 PRO CB C 8.254 0.556 3.169 1.00 . A A . 6 PRO CB 1 1
10 2284 1 1 6 PRO CD C 6.740 1.827 4.501 1.00 . A A . 6 PRO CD 1 1
10 2285 1 1 6 PRO CG C 7.711 0.683 4.548 1.00 . A A . 6 PRO CG 1 1
10 2286 1 1 6 PRO HA H 9.287 2.407 2.820 1.00 . A A . 6 PRO HA 1 1
10 2287 1 1 6 PRO HB2 H 7.606 -0.038 2.541 1.00 . A A . 6 PRO HB2 1 1
10 2288 1 1 6 PRO HB3 H 9.246 0.134 3.173 1.00 . A A . 6 PRO HB3 1 1
10 2289 1 1 6 PRO HD2 H 5.752 1.470 4.248 1.00 . A A . 6 PRO HD2 1 1
10 2290 1 1 6 PRO HD3 H 6.725 2.351 5.444 1.00 . A A . 6 PRO HD3 1 1
10 2291 1 1 6 PRO HG2 H 7.204 -0.228 4.830 1.00 . A A . 6 PRO HG2 1 1
10 2292 1 1 6 PRO HG3 H 8.512 0.900 5.241 1.00 . A A . 6 PRO HG3 1 1
10 2293 1 1 6 PRO N N 7.275 2.690 3.428 1.00 . A A . 6 PRO N 1 1
10 2294 1 1 6 PRO O O 6.862 2.006 0.718 1.00 . A A . 6 PRO O 1 1
10 2295 1 1 7 GLY C C 9.736 1.076 -1.821 1.00 . A A . 7 GLY C 1 1
10 2296 1 1 7 GLY CA C 8.928 2.137 -1.098 1.00 . A A . 7 GLY CA 1 1
10 2297 1 1 7 GLY H H 9.978 2.106 0.743 1.00 . A A . 7 GLY H 1 1
10 2298 1 1 7 GLY HA2 H 7.885 2.009 -1.343 1.00 . A A . 7 GLY HA2 1 1
10 2299 1 1 7 GLY HA3 H 9.248 3.111 -1.436 1.00 . A A . 7 GLY HA3 1 1
10 2300 1 1 7 GLY N N 9.078 2.071 0.344 1.00 . A A . 7 GLY N 1 1
10 2301 1 1 7 GLY O O 10.935 1.250 -2.054 1.00 . A A . 7 GLY O 1 1
10 2302 1 1 8 GLY C C 8.818 -2.226 -3.202 1.00 . A A . 8 GLY C 1 1
10 2303 1 1 8 GLY CA C 9.757 -1.084 -2.893 1.00 . A A . 8 GLY CA 1 1
10 2304 1 1 8 GLY H H 8.131 -0.099 -1.975 1.00 . A A . 8 GLY H 1 1
10 2305 1 1 8 GLY HA2 H 10.155 -0.694 -3.819 1.00 . A A . 8 GLY HA2 1 1
10 2306 1 1 8 GLY HA3 H 10.570 -1.455 -2.290 1.00 . A A . 8 GLY HA3 1 1
10 2307 1 1 8 GLY N N 9.084 -0.019 -2.181 1.00 . A A . 8 GLY N 1 1
10 2308 1 1 8 GLY O O 7.605 -2.024 -3.301 1.00 . A A . 8 GLY O 1 1
10 2309 1 1 9 GLY C C 7.720 -4.970 -2.341 1.00 . A A . 9 GLY C 1 1
10 2310 1 1 9 GLY CA C 8.554 -4.602 -3.554 1.00 . A A . 9 GLY CA 1 1
10 2311 1 1 9 GLY H H 10.340 -3.523 -3.193 1.00 . A A . 9 GLY H 1 1
10 2312 1 1 9 GLY HA2 H 7.895 -4.409 -4.389 1.00 . A A . 9 GLY HA2 1 1
10 2313 1 1 9 GLY HA3 H 9.200 -5.432 -3.800 1.00 . A A . 9 GLY HA3 1 1
10 2314 1 1 9 GLY N N 9.367 -3.428 -3.312 1.00 . A A . 9 GLY N 1 1
10 2315 1 1 9 GLY O O 6.587 -5.434 -2.468 1.00 . A A . 9 GLY O 1 1
10 2316 1 1 10 GLY C C 7.162 -3.666 0.760 1.00 . A A . 10 GLY C 1 1
10 2317 1 1 10 GLY CA C 7.552 -4.953 0.069 1.00 . A A . 10 GLY CA 1 1
10 2318 1 1 10 GLY H H 9.153 -4.277 -1.132 1.00 . A A . 10 GLY H 1 1
10 2319 1 1 10 GLY HA2 H 6.660 -5.522 -0.150 1.00 . A A . 10 GLY HA2 1 1
10 2320 1 1 10 GLY HA3 H 8.185 -5.529 0.729 1.00 . A A . 10 GLY HA3 1 1
10 2321 1 1 10 GLY N N 8.264 -4.698 -1.164 1.00 . A A . 10 GLY N 1 1
10 2322 1 1 10 GLY O O 7.995 -3.010 1.388 1.00 . A A . 10 GLY O 1 1
10 2323 1 1 11 VAL C C 4.385 -2.211 2.187 1.00 . A A . 11 VAL C 1 1
10 2324 1 1 11 VAL CA C 5.448 -2.000 1.142 1.00 . A A . 11 VAL CA 1 1
10 2325 1 1 11 VAL CB C 4.886 -1.042 0.064 1.00 . A A . 11 VAL CB 1 1
10 2326 1 1 11 VAL CG1 C 5.990 -0.582 -0.873 1.00 . A A . 11 VAL CG1 1 1
10 2327 1 1 11 VAL CG2 C 3.768 -1.712 -0.723 1.00 . A A . 11 VAL CG2 1 1
10 2328 1 1 11 VAL H H 5.308 -3.799 0.041 1.00 . A A . 11 VAL H 1 1
10 2329 1 1 11 VAL HA H 6.286 -1.510 1.621 1.00 . A A . 11 VAL HA 1 1
10 2330 1 1 11 VAL HB H 4.472 -0.166 0.564 1.00 . A A . 11 VAL HB 1 1
10 2331 1 1 11 VAL HG11 H 6.210 0.457 -0.685 1.00 . A A . 11 VAL HG11 1 1
10 2332 1 1 11 VAL HG12 H 5.667 -0.701 -1.897 1.00 . A A . 11 VAL HG12 1 1
10 2333 1 1 11 VAL HG13 H 6.876 -1.175 -0.703 1.00 . A A . 11 VAL HG13 1 1
10 2334 1 1 11 VAL HG21 H 3.099 -0.960 -1.113 1.00 . A A . 11 VAL HG21 1 1
10 2335 1 1 11 VAL HG22 H 3.220 -2.377 -0.071 1.00 . A A . 11 VAL HG22 1 1
10 2336 1 1 11 VAL HG23 H 4.192 -2.279 -1.540 1.00 . A A . 11 VAL HG23 1 1
10 2337 1 1 11 VAL N N 5.919 -3.256 0.582 1.00 . A A . 11 VAL N 1 1
10 2338 1 1 11 VAL O O 3.579 -3.140 2.121 1.00 . A A . 11 VAL O 1 1
10 2339 1 1 12 CYS C C 1.965 -0.784 3.335 1.00 . A A . 12 CYS C 1 1
10 2340 1 1 12 CYS CA C 3.269 -1.142 4.037 1.00 . A A . 12 CYS CA 1 1
10 2341 1 1 12 CYS CB C 3.674 -0.081 5.049 1.00 . A A . 12 CYS CB 1 1
10 2342 1 1 12 CYS H H 4.950 -0.498 2.981 1.00 . A A . 12 CYS H 1 1
10 2343 1 1 12 CYS HA H 3.161 -2.093 4.533 1.00 . A A . 12 CYS HA 1 1
10 2344 1 1 12 CYS HB2 H 4.210 -0.560 5.844 1.00 . A A . 12 CYS HB2 1 1
10 2345 1 1 12 CYS HB3 H 4.338 0.616 4.559 1.00 . A A . 12 CYS HB3 1 1
10 2346 1 1 12 CYS N N 4.324 -1.246 3.068 1.00 . A A . 12 CYS N 1 1
10 2347 1 1 12 CYS O O 1.976 -0.064 2.337 1.00 . A A . 12 CYS O 1 1
10 2348 1 1 12 CYS SG S 2.310 0.857 5.749 1.00 . A A . 12 CYS SG 1 1
10 2349 1 1 13 ABA C C -0.455 -1.829 1.820 1.00 . A A . 13 ABA C 1 1
10 2350 1 1 13 ABA CA C -0.418 -1.124 3.165 1.00 . A A . 13 ABA CA 1 1
10 2351 1 1 13 ABA CB C -1.603 -1.622 4.023 1.00 . A A . 13 ABA CB 1 1
10 2352 1 1 13 ABA CG C -1.400 -1.272 5.493 1.00 . A A . 13 ABA CG 1 1
10 2353 1 1 13 ABA H H 0.922 -1.958 4.575 1.00 . A A . 13 ABA H 1 1
10 2354 1 1 13 ABA HA H -0.524 -0.059 3.003 1.00 . A A . 13 ABA HA 1 1
10 2355 1 1 13 ABA HB3 H -1.650 -2.700 3.935 1.00 . A A . 13 ABA HB3 1 1
10 2356 1 1 13 ABA HG1 H -0.925 -0.304 5.572 1.00 . A A . 13 ABA HG1 1 1
10 2357 1 1 13 ABA HG2 H -0.772 -2.019 5.955 1.00 . A A . 13 ABA HG2 1 1
10 2358 1 1 13 ABA HG3 H -2.357 -1.247 5.992 1.00 . A A . 13 ABA HG3 1 1
10 2359 1 1 13 ABA N N 0.863 -1.345 3.808 1.00 . A A . 13 ABA N 1 1
10 2360 1 1 13 ABA O O -0.955 -1.284 0.836 1.00 . A A . 13 ABA O 1 1
10 2361 1 1 14 LEU C C -1.147 -4.364 0.153 1.00 . A A . 14 LEU C 1 1
10 2362 1 1 14 LEU CA C 0.209 -3.785 0.557 1.00 . A A . 14 LEU CA 1 1
10 2363 1 1 14 LEU CB C 1.246 -4.895 0.743 1.00 . A A . 14 LEU CB 1 1
10 2364 1 1 14 LEU CD1 C 1.762 -5.275 -1.674 1.00 . A A . 14 LEU CD1 1 1
10 2365 1 1 14 LEU CD2 C 2.214 -7.074 0.003 1.00 . A A . 14 LEU CD2 1 1
10 2366 1 1 14 LEU CG C 1.304 -5.919 -0.377 1.00 . A A . 14 LEU CG 1 1
10 2367 1 1 14 LEU H H 0.487 -3.410 2.598 1.00 . A A . 14 LEU H 1 1
10 2368 1 1 14 LEU HA H 0.547 -3.118 -0.219 1.00 . A A . 14 LEU HA 1 1
10 2369 1 1 14 LEU HB2 H 2.219 -4.436 0.833 1.00 . A A . 14 LEU HB2 1 1
10 2370 1 1 14 LEU HB3 H 1.023 -5.414 1.665 1.00 . A A . 14 LEU HB3 1 1
10 2371 1 1 14 LEU HD11 H 2.614 -4.638 -1.480 1.00 . A A . 14 LEU HD11 1 1
10 2372 1 1 14 LEU HD12 H 0.958 -4.684 -2.087 1.00 . A A . 14 LEU HD12 1 1
10 2373 1 1 14 LEU HD13 H 2.042 -6.045 -2.379 1.00 . A A . 14 LEU HD13 1 1
10 2374 1 1 14 LEU HD21 H 1.834 -7.553 0.894 1.00 . A A . 14 LEU HD21 1 1
10 2375 1 1 14 LEU HD22 H 3.208 -6.699 0.193 1.00 . A A . 14 LEU HD22 1 1
10 2376 1 1 14 LEU HD23 H 2.245 -7.788 -0.805 1.00 . A A . 14 LEU HD23 1 1
10 2377 1 1 14 LEU HG H 0.309 -6.305 -0.525 1.00 . A A . 14 LEU HG 1 1
10 2378 1 1 14 LEU N N 0.109 -3.026 1.779 1.00 . A A . 14 LEU N 1 1
10 2379 1 1 14 LEU O O -1.461 -5.519 0.441 1.00 . A A . 14 LEU O 1 1
10 2380 1 1 15 ABA C C -4.344 -3.094 -0.478 1.00 . A A . 15 ABA C 1 1
10 2381 1 1 15 ABA CA C -3.237 -3.989 -1.011 1.00 . A A . 15 ABA CA 1 1
10 2382 1 1 15 ABA CB C -3.272 -3.994 -2.558 1.00 . A A . 15 ABA CB 1 1
10 2383 1 1 15 ABA CG C -2.684 -5.300 -3.071 1.00 . A A . 15 ABA CG 1 1
10 2384 1 1 15 ABA H H -1.657 -2.623 -0.677 1.00 . A A . 15 ABA H 1 1
10 2385 1 1 15 ABA HA H -3.405 -4.999 -0.663 1.00 . A A . 15 ABA HA 1 1
10 2386 1 1 15 ABA HB3 H -4.302 -3.942 -2.874 1.00 . A A . 15 ABA HB3 1 1
10 2387 1 1 15 ABA HG1 H -1.726 -5.472 -2.603 1.00 . A A . 15 ABA HG1 1 1
10 2388 1 1 15 ABA HG2 H -2.559 -5.242 -4.140 1.00 . A A . 15 ABA HG2 1 1
10 2389 1 1 15 ABA HG3 H -3.354 -6.113 -2.832 1.00 . A A . 15 ABA HG3 1 1
10 2390 1 1 15 ABA N N -1.943 -3.553 -0.522 1.00 . A A . 15 ABA N 1 1
10 2391 1 1 15 ABA O O -4.081 -1.972 -0.035 1.00 . A A . 15 ABA O 1 1
10 2392 1 1 16 DHA C C -6.712 -2.356 1.239 1.00 . A A . 16 DHA C 1 1
10 2393 1 1 16 DHA CA C -6.638 -2.843 -0.086 1.00 . A A . 16 DHA CA 1 1
10 2394 1 1 16 DHA CB C -7.621 -2.556 -0.948 1.00 . A A . 16 DHA CB 1 1
10 2395 1 1 16 DHA H H -5.666 -4.518 -0.855 1.00 . A A . 16 DHA H 1 1
10 2396 1 1 16 DHA HB1 H -7.574 -2.923 -1.963 1.00 . A A . 16 DHA HB1 1 1
10 2397 1 1 16 DHA HB2 H -8.454 -1.946 -0.633 1.00 . A A . 16 DHA HB2 1 1
10 2398 1 1 16 DHA N N -5.575 -3.598 -0.509 1.00 . A A . 16 DHA N 1 1
10 2399 1 1 16 DHA O O -7.442 -1.406 1.520 1.00 . A A . 16 DHA O 1 1
10 2400 1 1 17 GLU C C -5.351 -1.084 3.596 1.00 . A A . 17 GLU C 1 1
10 2401 1 1 17 GLU CA C -5.861 -2.522 3.511 1.00 . A A . 17 GLU CA 1 1
10 2402 1 1 17 GLU CB C -4.963 -3.472 4.314 1.00 . A A . 17 GLU CB 1 1
10 2403 1 1 17 GLU CD C -4.017 -4.103 6.569 1.00 . A A . 17 GLU CD 1 1
10 2404 1 1 17 GLU CG C -4.716 -3.038 5.750 1.00 . A A . 17 GLU CG 1 1
10 2405 1 1 17 GLU H H -5.358 -3.708 1.832 1.00 . A A . 17 GLU H 1 1
10 2406 1 1 17 GLU HA H -6.862 -2.561 3.916 1.00 . A A . 17 GLU HA 1 1
10 2407 1 1 17 GLU HB2 H -5.424 -4.449 4.336 1.00 . A A . 17 GLU HB2 1 1
10 2408 1 1 17 GLU HB3 H -4.009 -3.548 3.815 1.00 . A A . 17 GLU HB3 1 1
10 2409 1 1 17 GLU HG2 H -4.103 -2.149 5.742 1.00 . A A . 17 GLU HG2 1 1
10 2410 1 1 17 GLU HG3 H -5.667 -2.814 6.211 1.00 . A A . 17 GLU HG3 1 1
10 2411 1 1 17 GLU N N -5.929 -2.959 2.126 1.00 . A A . 17 GLU N 1 1
10 2412 1 1 17 GLU O O -5.715 -0.341 4.511 1.00 . A A . 17 GLU O 1 1
10 2413 1 1 17 GLU OE1 O -3.001 -4.660 6.096 1.00 . A A . 17 GLU OE1 1 1
10 2414 1 1 17 GLU OE2 O -4.479 -4.385 7.695 1.00 . A A . 17 GLU OE2 1 1
10 2415 1 1 18 CYS C C -3.941 1.226 1.154 1.00 . A A . 18 CYS C 1 1
10 2416 1 1 18 CYS CA C -4.052 0.694 2.579 1.00 . A A . 18 CYS CA 1 1
10 2417 1 1 18 CYS CB C -2.666 0.796 3.201 1.00 . A A . 18 CYS CB 1 1
10 2418 1 1 18 CYS H H -4.337 -1.287 1.877 1.00 . A A . 18 CYS H 1 1
10 2419 1 1 18 CYS HA H -4.735 1.316 3.135 1.00 . A A . 18 CYS HA 1 1
10 2420 1 1 18 CYS HB2 H -1.960 0.460 2.467 1.00 . A A . 18 CYS HB2 1 1
10 2421 1 1 18 CYS HB3 H -2.462 1.831 3.419 1.00 . A A . 18 CYS HB3 1 1
10 2422 1 1 18 CYS N N -4.551 -0.674 2.614 1.00 . A A . 18 CYS N 1 1
10 2423 1 1 18 CYS O O -4.741 2.062 0.728 1.00 . A A . 18 CYS O 1 1
10 2424 1 1 18 CYS SG S -2.406 -0.159 4.707 1.00 . A A . 18 CYS SG 1 1
10 2425 1 1 19 ILE C C -3.316 1.218 -1.880 1.00 . A A . 19 ILE C 1 1
10 2426 1 1 19 ILE CA C -2.387 1.560 -0.704 1.00 . A A . 19 ILE CA 1 1
10 2427 1 1 19 ILE CB C -0.906 1.199 -1.024 1.00 . A A . 19 ILE CB 1 1
10 2428 1 1 19 ILE CD1 C -0.569 3.162 -2.606 1.00 . A A . 19 ILE CD1 1 1
10 2429 1 1 19 ILE CG1 C -0.097 2.453 -1.367 1.00 . A A . 19 ILE CG1 1 1
10 2430 1 1 19 ILE CG2 C -0.792 0.160 -2.133 1.00 . A A . 19 ILE CG2 1 1
10 2431 1 1 19 ILE H H -2.142 0.368 1.006 1.00 . A A . 19 ILE H 1 1
10 2432 1 1 19 ILE HA H -2.424 2.623 -0.528 1.00 . A A . 19 ILE HA 1 1
10 2433 1 1 19 ILE HB H -0.484 0.764 -0.139 1.00 . A A . 19 ILE HB 1 1
10 2434 1 1 19 ILE HD11 H -0.801 4.187 -2.368 1.00 . A A . 19 ILE HD11 1 1
10 2435 1 1 19 ILE HD12 H -1.455 2.668 -2.978 1.00 . A A . 19 ILE HD12 1 1
10 2436 1 1 19 ILE HD13 H 0.204 3.129 -3.358 1.00 . A A . 19 ILE HD13 1 1
10 2437 1 1 19 ILE HG12 H -0.160 3.148 -0.545 1.00 . A A . 19 ILE HG12 1 1
10 2438 1 1 19 ILE HG13 H 0.938 2.177 -1.518 1.00 . A A . 19 ILE HG13 1 1
10 2439 1 1 19 ILE HG21 H -0.404 0.626 -3.025 1.00 . A A . 19 ILE HG21 1 1
10 2440 1 1 19 ILE HG22 H -1.767 -0.255 -2.338 1.00 . A A . 19 ILE HG22 1 1
10 2441 1 1 19 ILE HG23 H -0.124 -0.627 -1.817 1.00 . A A . 19 ILE HG23 1 1
10 2442 1 1 19 ILE N N -2.801 0.919 0.533 1.00 . A A . 19 ILE N 1 1
10 2443 1 1 19 ILE O O -3.485 2.013 -2.807 1.00 . A A . 19 ILE O 1 1
10 2444 1 1 20 TEE CA C -4.761 -0.331 -2.851 1.00 . A A . 20 TEE CA 1 1
10 2445 1 1 20 TEE CB C -4.813 -1.679 -3.247 1.00 . A A . 20 TEE CB 1 1
10 2446 1 1 20 TEE HA H -4.984 -1.232 -2.297 1.00 . A A . 20 TEE HA 1 1
10 2447 1 1 20 TEE HB2 H -3.924 -2.289 -3.198 1.00 . A A . 20 TEE HB2 1 1
10 2448 1 1 20 TEE HN1 H -3.740 -0.521 -1.044 1.00 . A A . 20 TEE HN1 1 1
10 2449 1 1 20 TEE N N -3.924 0.041 -1.830 1.00 . A A . 20 TEE N 1 1
10 2450 1 1 20 TEE SG S -4.434 -3.355 -3.783 1.00 . A A . 20 TEE SG 1 1
11 2451 1 1 1 CYS C C 3.524 6.641 -1.552 1.00 . A A . 1 CYS C 1 1
11 2452 1 1 1 CYS CA C 3.239 7.847 -0.661 1.00 . A A . 1 CYS CA 1 1
11 2453 1 1 1 CYS CB C 2.512 8.941 -1.439 1.00 . A A . 1 CYS CB 1 1
11 2454 1 1 1 CYS H1 H 4.452 8.503 0.901 1.00 . A A . 1 CYS H1 1 1
11 2455 1 1 1 CYS H2 H 4.707 9.325 -0.559 1.00 . A A . 1 CYS H2 1 1
11 2456 1 1 1 CYS H3 H 5.296 7.748 -0.360 1.00 . A A . 1 CYS H3 1 1
11 2457 1 1 1 CYS HA H 2.628 7.531 0.173 1.00 . A A . 1 CYS HA 1 1
11 2458 1 1 1 CYS HB2 H 2.841 9.907 -1.084 1.00 . A A . 1 CYS HB2 1 1
11 2459 1 1 1 CYS HB3 H 2.751 8.847 -2.488 1.00 . A A . 1 CYS HB3 1 1
11 2460 1 1 1 CYS N N 4.509 8.394 -0.133 1.00 . A A . 1 CYS N 1 1
11 2461 1 1 1 CYS O O 4.637 6.522 -2.064 1.00 . A A . 1 CYS O 1 1
11 2462 1 1 1 CYS SG S 0.728 8.846 -1.251 1.00 . A A . 1 CYS SG 1 1
11 2463 1 1 2 ABA C C 1.218 5.620 0.399 1.00 . A A . 2 ABA C 1 1
11 2464 1 1 2 ABA CA C 1.222 5.777 -1.120 1.00 . A A . 2 ABA CA 1 1
11 2465 1 1 2 ABA CB C 0.510 7.082 -1.526 1.00 . A A . 2 ABA CB 1 1
11 2466 1 1 2 ABA CG C -0.307 6.868 -2.788 1.00 . A A . 2 ABA CG 1 1
11 2467 1 1 2 ABA H H 2.785 4.915 -2.255 1.00 . A A . 2 ABA H 1 1
11 2468 1 1 2 ABA HA H 0.653 4.959 -1.536 1.00 . A A . 2 ABA HA 1 1
11 2469 1 1 2 ABA HB3 H -0.169 7.357 -0.730 1.00 . A A . 2 ABA HB3 1 1
11 2470 1 1 2 ABA HG1 H -1.141 6.216 -2.571 1.00 . A A . 2 ABA HG1 1 1
11 2471 1 1 2 ABA HG2 H 0.314 6.413 -3.547 1.00 . A A . 2 ABA HG2 1 1
11 2472 1 1 2 ABA HG3 H -0.676 7.818 -3.145 1.00 . A A . 2 ABA HG3 1 1
11 2473 1 1 2 ABA N N 2.574 5.698 -1.696 1.00 . A A . 2 ABA N 1 1
11 2474 1 1 2 ABA O O 2.245 5.790 1.059 1.00 . A A . 2 ABA O 1 1
11 2475 1 1 3 PHE C C 0.862 3.614 2.640 1.00 . A A . 3 PHE C 1 1
11 2476 1 1 3 PHE CA C -0.014 4.826 2.339 1.00 . A A . 3 PHE CA 1 1
11 2477 1 1 3 PHE CB C -1.477 4.554 2.715 1.00 . A A . 3 PHE CB 1 1
11 2478 1 1 3 PHE CD1 C -0.976 5.212 5.088 1.00 . A A . 3 PHE CD1 1 1
11 2479 1 1 3 PHE CD2 C -2.698 3.609 4.706 1.00 . A A . 3 PHE CD2 1 1
11 2480 1 1 3 PHE CE1 C -1.190 5.122 6.449 1.00 . A A . 3 PHE CE1 1 1
11 2481 1 1 3 PHE CE2 C -2.916 3.512 6.068 1.00 . A A . 3 PHE CE2 1 1
11 2482 1 1 3 PHE CG C -1.727 4.459 4.199 1.00 . A A . 3 PHE CG 1 1
11 2483 1 1 3 PHE CZ C -2.215 4.298 6.934 1.00 . A A . 3 PHE CZ 1 1
11 2484 1 1 3 PHE H H -0.658 4.931 0.328 1.00 . A A . 3 PHE H 1 1
11 2485 1 1 3 PHE HA H 0.347 5.671 2.908 1.00 . A A . 3 PHE HA 1 1
11 2486 1 1 3 PHE HB2 H -2.090 5.356 2.331 1.00 . A A . 3 PHE HB2 1 1
11 2487 1 1 3 PHE HB3 H -1.790 3.623 2.264 1.00 . A A . 3 PHE HB3 1 1
11 2488 1 1 3 PHE HD1 H -0.217 5.878 4.705 1.00 . A A . 3 PHE HD1 1 1
11 2489 1 1 3 PHE HD2 H -3.289 3.014 4.023 1.00 . A A . 3 PHE HD2 1 1
11 2490 1 1 3 PHE HE1 H -0.598 5.718 7.129 1.00 . A A . 3 PHE HE1 1 1
11 2491 1 1 3 PHE HE2 H -3.674 2.845 6.450 1.00 . A A . 3 PHE HE2 1 1
11 2492 1 1 3 PHE HZ H -2.404 4.235 7.995 1.00 . A A . 3 PHE HZ 1 1
11 2493 1 1 3 PHE N N 0.092 5.155 0.926 1.00 . A A . 3 PHE N 1 1
11 2494 1 1 3 PHE O O 0.669 2.545 2.061 1.00 . A A . 3 PHE O 1 1
11 2495 1 1 4 ABA C C 4.287 3.527 3.904 1.00 . A A . 4 ABA C 1 1
11 2496 1 1 4 ABA CA C 2.955 2.836 3.629 1.00 . A A . 4 ABA CA 1 1
11 2497 1 1 4 ABA CB C 2.612 1.869 4.795 1.00 . A A . 4 ABA CB 1 1
11 2498 1 1 4 ABA CG C 1.423 2.353 5.616 1.00 . A A . 4 ABA CG 1 1
11 2499 1 1 4 ABA H H 2.097 4.767 3.699 1.00 . A A . 4 ABA H 1 1
11 2500 1 1 4 ABA HA H 3.055 2.250 2.718 1.00 . A A . 4 ABA HA 1 1
11 2501 1 1 4 ABA HB3 H 2.373 0.896 4.377 1.00 . A A . 4 ABA HB3 1 1
11 2502 1 1 4 ABA HG1 H 0.978 3.208 5.129 1.00 . A A . 4 ABA HG1 1 1
11 2503 1 1 4 ABA HG2 H 1.759 2.634 6.602 1.00 . A A . 4 ABA HG2 1 1
11 2504 1 1 4 ABA HG3 H 0.693 1.563 5.694 1.00 . A A . 4 ABA HG3 1 1
11 2505 1 1 4 ABA N N 1.925 3.846 3.398 1.00 . A A . 4 ABA N 1 1
11 2506 1 1 4 ABA O O 4.304 4.680 4.333 1.00 . A A . 4 ABA O 1 1
11 2507 1 1 5 LEU C C 7.575 3.205 2.442 1.00 . A A . 5 LEU C 1 1
11 2508 1 1 5 LEU CA C 6.711 3.495 3.678 1.00 . A A . 5 LEU CA 1 1
11 2509 1 1 5 LEU CB C 7.424 3.054 4.965 1.00 . A A . 5 LEU CB 1 1
11 2510 1 1 5 LEU CD1 C 7.414 2.795 7.442 1.00 . A A . 5 LEU CD1 1 1
11 2511 1 1 5 LEU CD2 C 6.947 5.024 6.431 1.00 . A A . 5 LEU CD2 1 1
11 2512 1 1 5 LEU CG C 6.785 3.521 6.270 1.00 . A A . 5 LEU CG 1 1
11 2513 1 1 5 LEU H H 5.312 1.996 3.120 1.00 . A A . 5 LEU H 1 1
11 2514 1 1 5 LEU HA H 6.557 4.563 3.727 1.00 . A A . 5 LEU HA 1 1
11 2515 1 1 5 LEU HB2 H 7.462 1.974 4.977 1.00 . A A . 5 LEU HB2 1 1
11 2516 1 1 5 LEU HB3 H 8.436 3.429 4.934 1.00 . A A . 5 LEU HB3 1 1
11 2517 1 1 5 LEU HD11 H 8.220 3.391 7.845 1.00 . A A . 5 LEU HD11 1 1
11 2518 1 1 5 LEU HD12 H 7.803 1.843 7.105 1.00 . A A . 5 LEU HD12 1 1
11 2519 1 1 5 LEU HD13 H 6.671 2.628 8.205 1.00 . A A . 5 LEU HD13 1 1
11 2520 1 1 5 LEU HD21 H 7.707 5.225 7.172 1.00 . A A . 5 LEU HD21 1 1
11 2521 1 1 5 LEU HD22 H 6.008 5.455 6.750 1.00 . A A . 5 LEU HD22 1 1
11 2522 1 1 5 LEU HD23 H 7.240 5.454 5.485 1.00 . A A . 5 LEU HD23 1 1
11 2523 1 1 5 LEU HG H 5.729 3.293 6.254 1.00 . A A . 5 LEU HG 1 1
11 2524 1 1 5 LEU N N 5.391 2.875 3.556 1.00 . A A . 5 LEU N 1 1
11 2525 1 1 5 LEU O O 7.874 4.122 1.674 1.00 . A A . 5 LEU O 1 1
11 2526 1 1 6 PRO C C 8.110 1.811 -0.268 1.00 . A A . 6 PRO C 1 1
11 2527 1 1 6 PRO CA C 8.831 1.580 1.056 1.00 . A A . 6 PRO CA 1 1
11 2528 1 1 6 PRO CB C 9.119 0.089 1.246 1.00 . A A . 6 PRO CB 1 1
11 2529 1 1 6 PRO CD C 7.726 0.755 3.052 1.00 . A A . 6 PRO CD 1 1
11 2530 1 1 6 PRO CG C 8.833 -0.180 2.680 1.00 . A A . 6 PRO CG 1 1
11 2531 1 1 6 PRO HA H 9.760 2.131 1.056 1.00 . A A . 6 PRO HA 1 1
11 2532 1 1 6 PRO HB2 H 8.475 -0.488 0.600 1.00 . A A . 6 PRO HB2 1 1
11 2533 1 1 6 PRO HB3 H 10.153 -0.112 1.006 1.00 . A A . 6 PRO HB3 1 1
11 2534 1 1 6 PRO HD2 H 6.766 0.325 2.813 1.00 . A A . 6 PRO HD2 1 1
11 2535 1 1 6 PRO HD3 H 7.780 1.006 4.101 1.00 . A A . 6 PRO HD3 1 1
11 2536 1 1 6 PRO HG2 H 8.519 -1.204 2.808 1.00 . A A . 6 PRO HG2 1 1
11 2537 1 1 6 PRO HG3 H 9.711 0.024 3.274 1.00 . A A . 6 PRO HG3 1 1
11 2538 1 1 6 PRO N N 8.000 1.937 2.216 1.00 . A A . 6 PRO N 1 1
11 2539 1 1 6 PRO O O 6.894 2.016 -0.301 1.00 . A A . 6 PRO O 1 1
11 2540 1 1 7 GLY C C 8.206 0.713 -3.480 1.00 . A A . 7 GLY C 1 1
11 2541 1 1 7 GLY CA C 8.290 1.989 -2.667 1.00 . A A . 7 GLY CA 1 1
11 2542 1 1 7 GLY H H 9.829 1.589 -1.269 1.00 . A A . 7 GLY H 1 1
11 2543 1 1 7 GLY HA2 H 7.296 2.395 -2.548 1.00 . A A . 7 GLY HA2 1 1
11 2544 1 1 7 GLY HA3 H 8.899 2.704 -3.201 1.00 . A A . 7 GLY HA3 1 1
11 2545 1 1 7 GLY N N 8.864 1.771 -1.356 1.00 . A A . 7 GLY N 1 1
11 2546 1 1 7 GLY O O 7.362 0.592 -4.370 1.00 . A A . 7 GLY O 1 1
11 2547 1 1 8 GLY C C 8.894 -2.693 -2.956 1.00 . A A . 8 GLY C 1 1
11 2548 1 1 8 GLY CA C 9.054 -1.507 -3.884 1.00 . A A . 8 GLY CA 1 1
11 2549 1 1 8 GLY H H 9.705 -0.105 -2.435 1.00 . A A . 8 GLY H 1 1
11 2550 1 1 8 GLY HA2 H 8.233 -1.502 -4.587 1.00 . A A . 8 GLY HA2 1 1
11 2551 1 1 8 GLY HA3 H 9.982 -1.612 -4.429 1.00 . A A . 8 GLY HA3 1 1
11 2552 1 1 8 GLY N N 9.067 -0.245 -3.170 1.00 . A A . 8 GLY N 1 1
11 2553 1 1 8 GLY O O 9.340 -2.652 -1.805 1.00 . A A . 8 GLY O 1 1
11 2554 1 1 9 GLY C C 7.120 -4.719 -1.504 1.00 . A A . 9 GLY C 1 1
11 2555 1 1 9 GLY CA C 8.070 -4.952 -2.660 1.00 . A A . 9 GLY CA 1 1
11 2556 1 1 9 GLY H H 7.932 -3.720 -4.381 1.00 . A A . 9 GLY H 1 1
11 2557 1 1 9 GLY HA2 H 7.668 -5.731 -3.293 1.00 . A A . 9 GLY HA2 1 1
11 2558 1 1 9 GLY HA3 H 9.023 -5.274 -2.268 1.00 . A A . 9 GLY HA3 1 1
11 2559 1 1 9 GLY N N 8.270 -3.754 -3.457 1.00 . A A . 9 GLY N 1 1
11 2560 1 1 9 GLY O O 6.021 -4.192 -1.695 1.00 . A A . 9 GLY O 1 1
11 2561 1 1 10 GLY C C 6.634 -3.378 1.178 1.00 . A A . 10 GLY C 1 1
11 2562 1 1 10 GLY CA C 6.748 -4.858 0.880 1.00 . A A . 10 GLY CA 1 1
11 2563 1 1 10 GLY H H 8.434 -5.511 -0.220 1.00 . A A . 10 GLY H 1 1
11 2564 1 1 10 GLY HA2 H 5.759 -5.265 0.730 1.00 . A A . 10 GLY HA2 1 1
11 2565 1 1 10 GLY HA3 H 7.209 -5.352 1.723 1.00 . A A . 10 GLY HA3 1 1
11 2566 1 1 10 GLY N N 7.547 -5.098 -0.305 1.00 . A A . 10 GLY N 1 1
11 2567 1 1 10 GLY O O 7.560 -2.781 1.716 1.00 . A A . 10 GLY O 1 1
11 2568 1 1 11 VAL C C 4.765 -0.829 1.997 1.00 . A A . 11 VAL C 1 1
11 2569 1 1 11 VAL CA C 5.425 -1.312 0.736 1.00 . A A . 11 VAL CA 1 1
11 2570 1 1 11 VAL CB C 4.605 -0.774 -0.442 1.00 . A A . 11 VAL CB 1 1
11 2571 1 1 11 VAL CG1 C 5.462 -0.654 -1.689 1.00 . A A . 11 VAL CG1 1 1
11 2572 1 1 11 VAL CG2 C 3.393 -1.655 -0.707 1.00 . A A . 11 VAL CG2 1 1
11 2573 1 1 11 VAL H H 4.931 -3.283 0.149 1.00 . A A . 11 VAL H 1 1
11 2574 1 1 11 VAL HA H 6.409 -0.880 0.694 1.00 . A A . 11 VAL HA 1 1
11 2575 1 1 11 VAL HB H 4.248 0.208 -0.164 1.00 . A A . 11 VAL HB 1 1
11 2576 1 1 11 VAL HG11 H 4.843 -0.375 -2.528 1.00 . A A . 11 VAL HG11 1 1
11 2577 1 1 11 VAL HG12 H 5.936 -1.602 -1.892 1.00 . A A . 11 VAL HG12 1 1
11 2578 1 1 11 VAL HG13 H 6.221 0.101 -1.533 1.00 . A A . 11 VAL HG13 1 1
11 2579 1 1 11 VAL HG21 H 3.668 -2.452 -1.380 1.00 . A A . 11 VAL HG21 1 1
11 2580 1 1 11 VAL HG22 H 2.607 -1.064 -1.150 1.00 . A A . 11 VAL HG22 1 1
11 2581 1 1 11 VAL HG23 H 3.045 -2.075 0.224 1.00 . A A . 11 VAL HG23 1 1
11 2582 1 1 11 VAL N N 5.570 -2.762 0.683 1.00 . A A . 11 VAL N 1 1
11 2583 1 1 11 VAL O O 4.724 0.383 2.228 1.00 . A A . 11 VAL O 1 1
11 2584 1 1 12 CYS C C 1.984 -0.829 3.400 1.00 . A A . 12 CYS C 1 1
11 2585 1 1 12 CYS CA C 3.321 -1.396 3.863 1.00 . A A . 12 CYS CA 1 1
11 2586 1 1 12 CYS CB C 4.123 -0.421 4.741 1.00 . A A . 12 CYS CB 1 1
11 2587 1 1 12 CYS H H 4.058 -2.644 2.340 1.00 . A A . 12 CYS H 1 1
11 2588 1 1 12 CYS HA H 3.139 -2.305 4.418 1.00 . A A . 12 CYS HA 1 1
11 2589 1 1 12 CYS HB2 H 4.865 -0.980 5.283 1.00 . A A . 12 CYS HB2 1 1
11 2590 1 1 12 CYS HB3 H 4.637 0.266 4.084 1.00 . A A . 12 CYS HB3 1 1
11 2591 1 1 12 CYS N N 4.112 -1.742 2.696 1.00 . A A . 12 CYS N 1 1
11 2592 1 1 12 CYS O O 1.941 0.014 2.504 1.00 . A A . 12 CYS O 1 1
11 2593 1 1 12 CYS SG S 3.169 0.563 5.909 1.00 . A A . 12 CYS SG 1 1
11 2594 1 1 13 ABA C C -0.487 -1.815 1.850 1.00 . A A . 13 ABA C 1 1
11 2595 1 1 13 ABA CA C -0.392 -1.188 3.226 1.00 . A A . 13 ABA CA 1 1
11 2596 1 1 13 ABA CB C -1.564 -1.716 4.082 1.00 . A A . 13 ABA CB 1 1
11 2597 1 1 13 ABA CG C -1.288 -1.524 5.563 1.00 . A A . 13 ABA CG 1 1
11 2598 1 1 13 ABA H H 1.012 -2.288 4.354 1.00 . A A . 13 ABA H 1 1
11 2599 1 1 13 ABA HA H -0.481 -0.111 3.125 1.00 . A A . 13 ABA HA 1 1
11 2600 1 1 13 ABA HB3 H -1.666 -2.777 3.892 1.00 . A A . 13 ABA HB3 1 1
11 2601 1 1 13 ABA HG1 H -0.565 -2.255 5.890 1.00 . A A . 13 ABA HG1 1 1
11 2602 1 1 13 ABA HG2 H -2.205 -1.648 6.118 1.00 . A A . 13 ABA HG2 1 1
11 2603 1 1 13 ABA HG3 H -0.896 -0.532 5.731 1.00 . A A . 13 ABA HG3 1 1
11 2604 1 1 13 ABA N N 0.906 -1.481 3.804 1.00 . A A . 13 ABA N 1 1
11 2605 1 1 13 ABA O O -1.101 -1.261 0.947 1.00 . A A . 13 ABA O 1 1
11 2606 1 1 14 LEU C C -1.178 -4.297 0.109 1.00 . A A . 14 LEU C 1 1
11 2607 1 1 14 LEU CA C 0.175 -3.653 0.425 1.00 . A A . 14 LEU CA 1 1
11 2608 1 1 14 LEU CB C 1.288 -4.701 0.448 1.00 . A A . 14 LEU CB 1 1
11 2609 1 1 14 LEU CD1 C 1.508 -4.944 -2.036 1.00 . A A . 14 LEU CD1 1 1
11 2610 1 1 14 LEU CD2 C 2.322 -6.759 -0.518 1.00 . A A . 14 LEU CD2 1 1
11 2611 1 1 14 LEU CG C 1.278 -5.673 -0.720 1.00 . A A . 14 LEU CG 1 1
11 2612 1 1 14 LEU H H 0.621 -3.362 2.455 1.00 . A A . 14 LEU H 1 1
11 2613 1 1 14 LEU HA H 0.397 -2.925 -0.337 1.00 . A A . 14 LEU HA 1 1
11 2614 1 1 14 LEU HB2 H 2.237 -4.187 0.456 1.00 . A A . 14 LEU HB2 1 1
11 2615 1 1 14 LEU HB3 H 1.199 -5.271 1.362 1.00 . A A . 14 LEU HB3 1 1
11 2616 1 1 14 LEU HD11 H 2.396 -5.336 -2.514 1.00 . A A . 14 LEU HD11 1 1
11 2617 1 1 14 LEU HD12 H 1.637 -3.888 -1.847 1.00 . A A . 14 LEU HD12 1 1
11 2618 1 1 14 LEU HD13 H 0.658 -5.093 -2.684 1.00 . A A . 14 LEU HD13 1 1
11 2619 1 1 14 LEU HD21 H 1.838 -7.671 -0.201 1.00 . A A . 14 LEU HD21 1 1
11 2620 1 1 14 LEU HD22 H 3.027 -6.445 0.236 1.00 . A A . 14 LEU HD22 1 1
11 2621 1 1 14 LEU HD23 H 2.844 -6.934 -1.448 1.00 . A A . 14 LEU HD23 1 1
11 2622 1 1 14 LEU HG H 0.309 -6.139 -0.756 1.00 . A A . 14 LEU HG 1 1
11 2623 1 1 14 LEU N N 0.143 -2.967 1.694 1.00 . A A . 14 LEU N 1 1
11 2624 1 1 14 LEU O O -1.474 -5.416 0.537 1.00 . A A . 14 LEU O 1 1
11 2625 1 1 15 ABA C C -4.414 -3.135 -0.472 1.00 . A A . 15 ABA C 1 1
11 2626 1 1 15 ABA CA C -3.323 -4.046 -1.008 1.00 . A A . 15 ABA CA 1 1
11 2627 1 1 15 ABA CB C -3.444 -4.162 -2.544 1.00 . A A . 15 ABA CB 1 1
11 2628 1 1 15 ABA CG C -3.076 -5.576 -2.959 1.00 . A A . 15 ABA CG 1 1
11 2629 1 1 15 ABA H H -1.742 -2.648 -0.860 1.00 . A A . 15 ABA H 1 1
11 2630 1 1 15 ABA HA H -3.454 -5.032 -0.584 1.00 . A A . 15 ABA HA 1 1
11 2631 1 1 15 ABA HB3 H -4.474 -3.988 -2.822 1.00 . A A . 15 ABA HB3 1 1
11 2632 1 1 15 ABA HG1 H -2.200 -5.895 -2.413 1.00 . A A . 15 ABA HG1 1 1
11 2633 1 1 15 ABA HG2 H -2.867 -5.598 -4.020 1.00 . A A . 15 ABA HG2 1 1
11 2634 1 1 15 ABA HG3 H -3.899 -6.241 -2.742 1.00 . A A . 15 ABA HG3 1 1
11 2635 1 1 15 ABA N N -2.009 -3.560 -0.613 1.00 . A A . 15 ABA N 1 1
11 2636 1 1 15 ABA O O -4.119 -2.050 0.040 1.00 . A A . 15 ABA O 1 1
11 2637 1 1 16 DHA C C -6.763 -2.371 1.216 1.00 . A A . 16 DHA C 1 1
11 2638 1 1 16 DHA CA C -6.716 -2.836 -0.117 1.00 . A A . 16 DHA CA 1 1
11 2639 1 1 16 DHA CB C -7.707 -2.531 -0.963 1.00 . A A . 16 DHA CB 1 1
11 2640 1 1 16 DHA H H -5.776 -4.484 -0.972 1.00 . A A . 16 DHA H 1 1
11 2641 1 1 16 DHA HB1 H -7.674 -2.882 -1.983 1.00 . A A . 16 DHA HB1 1 1
11 2642 1 1 16 DHA HB2 H -8.540 -1.933 -0.624 1.00 . A A . 16 DHA HB2 1 1
11 2643 1 1 16 DHA N N -5.661 -3.595 -0.562 1.00 . A A . 16 DHA N 1 1
11 2644 1 1 16 DHA O O -7.450 -1.394 1.523 1.00 . A A . 16 DHA O 1 1
11 2645 1 1 17 GLU C C -5.334 -1.159 3.553 1.00 . A A . 17 GLU C 1 1
11 2646 1 1 17 GLU CA C -5.846 -2.598 3.460 1.00 . A A . 17 GLU CA 1 1
11 2647 1 1 17 GLU CB C -4.901 -3.555 4.198 1.00 . A A . 17 GLU CB 1 1
11 2648 1 1 17 GLU CD C -5.928 -3.287 6.502 1.00 . A A . 17 GLU CD 1 1
11 2649 1 1 17 GLU CG C -4.672 -3.203 5.660 1.00 . A A . 17 GLU CG 1 1
11 2650 1 1 17 GLU H H -5.419 -3.750 1.744 1.00 . A A . 17 GLU H 1 1
11 2651 1 1 17 GLU HA H -6.824 -2.651 3.913 1.00 . A A . 17 GLU HA 1 1
11 2652 1 1 17 GLU HB2 H -5.317 -4.551 4.157 1.00 . A A . 17 GLU HB2 1 1
11 2653 1 1 17 GLU HB3 H -3.944 -3.555 3.697 1.00 . A A . 17 GLU HB3 1 1
11 2654 1 1 17 GLU HG2 H -3.941 -3.884 6.069 1.00 . A A . 17 GLU HG2 1 1
11 2655 1 1 17 GLU HG3 H -4.289 -2.194 5.715 1.00 . A A . 17 GLU HG3 1 1
11 2656 1 1 17 GLU N N -5.971 -3.007 2.073 1.00 . A A . 17 GLU N 1 1
11 2657 1 1 17 GLU O O -5.727 -0.406 4.446 1.00 . A A . 17 GLU O 1 1
11 2658 1 1 17 GLU OE1 O -6.966 -3.728 5.972 1.00 . A A . 17 GLU OE1 1 1
11 2659 1 1 17 GLU OE2 O -5.891 -2.911 7.693 1.00 . A A . 17 GLU OE2 1 1
11 2660 1 1 18 CYS C C -3.895 1.134 1.125 1.00 . A A . 18 CYS C 1 1
11 2661 1 1 18 CYS CA C -4.000 0.605 2.552 1.00 . A A . 18 CYS CA 1 1
11 2662 1 1 18 CYS CB C -2.611 0.686 3.163 1.00 . A A . 18 CYS CB 1 1
11 2663 1 1 18 CYS H H -4.291 -1.376 1.857 1.00 . A A . 18 CYS H 1 1
11 2664 1 1 18 CYS HA H -4.672 1.234 3.115 1.00 . A A . 18 CYS HA 1 1
11 2665 1 1 18 CYS HB2 H -1.919 0.304 2.437 1.00 . A A . 18 CYS HB2 1 1
11 2666 1 1 18 CYS HB3 H -2.378 1.720 3.346 1.00 . A A . 18 CYS HB3 1 1
11 2667 1 1 18 CYS N N -4.512 -0.758 2.588 1.00 . A A . 18 CYS N 1 1
11 2668 1 1 18 CYS O O -4.648 2.020 0.720 1.00 . A A . 18 CYS O 1 1
11 2669 1 1 18 CYS SG S -2.375 -0.229 4.702 1.00 . A A . 18 CYS SG 1 1
11 2670 1 1 19 ILE C C -3.364 1.042 -1.914 1.00 . A A . 19 ILE C 1 1
11 2671 1 1 19 ILE CA C -2.382 1.363 -0.780 1.00 . A A . 19 ILE CA 1 1
11 2672 1 1 19 ILE CB C -0.936 0.920 -1.155 1.00 . A A . 19 ILE CB 1 1
11 2673 1 1 19 ILE CD1 C -0.505 2.266 -3.279 1.00 . A A . 19 ILE CD1 1 1
11 2674 1 1 19 ILE CG1 C -0.161 2.059 -1.828 1.00 . A A . 19 ILE CG1 1 1
11 2675 1 1 19 ILE CG2 C -0.931 -0.322 -2.040 1.00 . A A . 19 ILE CG2 1 1
11 2676 1 1 19 ILE H H -2.157 0.160 0.932 1.00 . A A . 19 ILE H 1 1
11 2677 1 1 19 ILE HA H -2.364 2.424 -0.614 1.00 . A A . 19 ILE HA 1 1
11 2678 1 1 19 ILE HB H -0.430 0.662 -0.245 1.00 . A A . 19 ILE HB 1 1
11 2679 1 1 19 ILE HD11 H -1.157 3.122 -3.376 1.00 . A A . 19 ILE HD11 1 1
11 2680 1 1 19 ILE HD12 H -1.007 1.388 -3.650 1.00 . A A . 19 ILE HD12 1 1
11 2681 1 1 19 ILE HD13 H 0.397 2.433 -3.844 1.00 . A A . 19 ILE HD13 1 1
11 2682 1 1 19 ILE HG12 H -0.369 2.981 -1.307 1.00 . A A . 19 ILE HG12 1 1
11 2683 1 1 19 ILE HG13 H 0.897 1.847 -1.767 1.00 . A A . 19 ILE HG13 1 1
11 2684 1 1 19 ILE HG21 H 0.089 -0.613 -2.250 1.00 . A A . 19 ILE HG21 1 1
11 2685 1 1 19 ILE HG22 H -1.441 -0.106 -2.969 1.00 . A A . 19 ILE HG22 1 1
11 2686 1 1 19 ILE HG23 H -1.438 -1.129 -1.530 1.00 . A A . 19 ILE HG23 1 1
11 2687 1 1 19 ILE N N -2.794 0.756 0.475 1.00 . A A . 19 ILE N 1 1
11 2688 1 1 19 ILE O O -3.527 1.821 -2.855 1.00 . A A . 19 ILE O 1 1
11 2689 1 1 20 TEE CA C -4.879 -0.490 -2.804 1.00 . A A . 20 TEE CA 1 1
11 2690 1 1 20 TEE CB C -4.695 -1.723 -3.458 1.00 . A A . 20 TEE CB 1 1
11 2691 1 1 20 TEE HA H -5.124 -1.410 -2.294 1.00 . A A . 20 TEE HA 1 1
11 2692 1 1 20 TEE HB2 H -4.653 -1.761 -4.537 1.00 . A A . 20 TEE HB2 1 1
11 2693 1 1 20 TEE HN1 H -3.829 -0.656 -1.016 1.00 . A A . 20 TEE HN1 1 1
11 2694 1 1 20 TEE N N -4.012 -0.113 -1.816 1.00 . A A . 20 TEE N 1 1
11 2695 1 1 20 TEE SG S -4.635 -3.503 -3.735 1.00 . A A . 20 TEE SG 1 1
12 2696 1 1 1 CYS C C 4.483 5.831 -2.610 1.00 . A A . 1 CYS C 1 1
12 2697 1 1 1 CYS CA C 3.615 5.741 -3.883 1.00 . A A . 1 CYS CA 1 1
12 2698 1 1 1 CYS CB C 2.187 5.258 -3.609 1.00 . A A . 1 CYS CB 1 1
12 2699 1 1 1 CYS H1 H 4.240 3.822 -4.365 1.00 . A A . 1 CYS H1 1 1
12 2700 1 1 1 CYS H2 H 5.210 5.054 -5.025 1.00 . A A . 1 CYS H2 1 1
12 2701 1 1 1 CYS H3 H 3.693 4.723 -5.696 1.00 . A A . 1 CYS H3 1 1
12 2702 1 1 1 CYS HA H 3.586 6.708 -4.366 1.00 . A A . 1 CYS HA 1 1
12 2703 1 1 1 CYS HB2 H 1.811 4.764 -4.492 1.00 . A A . 1 CYS HB2 1 1
12 2704 1 1 1 CYS HB3 H 2.215 4.545 -2.796 1.00 . A A . 1 CYS HB3 1 1
12 2705 1 1 1 CYS N N 4.230 4.769 -4.809 1.00 . A A . 1 CYS N 1 1
12 2706 1 1 1 CYS O O 5.704 5.723 -2.717 1.00 . A A . 1 CYS O 1 1
12 2707 1 1 1 CYS SG S 1.029 6.571 -3.164 1.00 . A A . 1 CYS SG 1 1
12 2708 1 1 2 ABA C C 2.174 6.069 0.294 1.00 . A A . 2 ABA C 1 1
12 2709 1 1 2 ABA CA C 2.479 6.098 -1.189 1.00 . A A . 2 ABA CA 1 1
12 2710 1 1 2 ABA CB C 1.915 7.384 -1.821 1.00 . A A . 2 ABA CB 1 1
12 2711 1 1 2 ABA CG C 2.615 8.605 -1.258 1.00 . A A . 2 ABA CG 1 1
12 2712 1 1 2 ABA H H 4.495 6.007 -0.615 1.00 . A A . 2 ABA H 1 1
12 2713 1 1 2 ABA HA H 1.999 5.257 -1.643 1.00 . A A . 2 ABA HA 1 1
12 2714 1 1 2 ABA HB3 H 0.869 7.454 -1.567 1.00 . A A . 2 ABA HB3 1 1
12 2715 1 1 2 ABA HG1 H 3.356 8.285 -0.542 1.00 . A A . 2 ABA HG1 1 1
12 2716 1 1 2 ABA HG2 H 1.893 9.242 -0.771 1.00 . A A . 2 ABA HG2 1 1
12 2717 1 1 2 ABA HG3 H 3.096 9.147 -2.057 1.00 . A A . 2 ABA HG3 1 1
12 2718 1 1 2 ABA N N 3.907 5.972 -1.405 1.00 . A A . 2 ABA N 1 1
12 2719 1 1 2 ABA O O 3.022 6.429 1.119 1.00 . A A . 2 ABA O 1 1
12 2720 1 1 3 PHE C C 1.646 4.075 2.513 1.00 . A A . 3 PHE C 1 1
12 2721 1 1 3 PHE CA C 0.738 5.194 2.021 1.00 . A A . 3 PHE CA 1 1
12 2722 1 1 3 PHE CB C -0.733 4.806 2.197 1.00 . A A . 3 PHE CB 1 1
12 2723 1 1 3 PHE CD1 C -0.954 5.844 4.472 1.00 . A A . 3 PHE CD1 1 1
12 2724 1 1 3 PHE CD2 C -1.816 3.647 4.142 1.00 . A A . 3 PHE CD2 1 1
12 2725 1 1 3 PHE CE1 C -1.365 5.810 5.792 1.00 . A A . 3 PHE CE1 1 1
12 2726 1 1 3 PHE CE2 C -2.230 3.606 5.461 1.00 . A A . 3 PHE CE2 1 1
12 2727 1 1 3 PHE CG C -1.175 4.765 3.635 1.00 . A A . 3 PHE CG 1 1
12 2728 1 1 3 PHE CZ C -1.979 4.691 6.295 1.00 . A A . 3 PHE CZ 1 1
12 2729 1 1 3 PHE H H 0.487 5.069 -0.067 1.00 . A A . 3 PHE H 1 1
12 2730 1 1 3 PHE HA H 0.945 6.087 2.592 1.00 . A A . 3 PHE HA 1 1
12 2731 1 1 3 PHE HB2 H -1.352 5.525 1.682 1.00 . A A . 3 PHE HB2 1 1
12 2732 1 1 3 PHE HB3 H -0.897 3.827 1.771 1.00 . A A . 3 PHE HB3 1 1
12 2733 1 1 3 PHE HD1 H -0.457 6.721 4.088 1.00 . A A . 3 PHE HD1 1 1
12 2734 1 1 3 PHE HD2 H -1.993 2.798 3.496 1.00 . A A . 3 PHE HD2 1 1
12 2735 1 1 3 PHE HE1 H -1.187 6.659 6.436 1.00 . A A . 3 PHE HE1 1 1
12 2736 1 1 3 PHE HE2 H -2.728 2.727 5.844 1.00 . A A . 3 PHE HE2 1 1
12 2737 1 1 3 PHE HZ H -2.291 4.661 7.330 1.00 . A A . 3 PHE HZ 1 1
12 2738 1 1 3 PHE N N 1.047 5.466 0.633 1.00 . A A . 3 PHE N 1 1
12 2739 1 1 3 PHE O O 1.779 3.044 1.854 1.00 . A A . 3 PHE O 1 1
12 2740 1 1 4 ABA C C 4.814 4.062 3.754 1.00 . A A . 4 ABA C 1 1
12 2741 1 1 4 ABA CA C 3.435 3.461 4.026 1.00 . A A . 4 ABA CA 1 1
12 2742 1 1 4 ABA CB C 3.267 3.177 5.545 1.00 . A A . 4 ABA CB 1 1
12 2743 1 1 4 ABA CG C 1.797 3.076 5.927 1.00 . A A . 4 ABA CG 1 1
12 2744 1 1 4 ABA H H 2.392 5.295 3.888 1.00 . A A . 4 ABA H 1 1
12 2745 1 1 4 ABA HA H 3.344 2.525 3.479 1.00 . A A . 4 ABA HA 1 1
12 2746 1 1 4 ABA HB3 H 3.739 2.232 5.766 1.00 . A A . 4 ABA HB3 1 1
12 2747 1 1 4 ABA HG1 H 1.311 2.339 5.303 1.00 . A A . 4 ABA HG1 1 1
12 2748 1 1 4 ABA HG2 H 1.322 4.035 5.788 1.00 . A A . 4 ABA HG2 1 1
12 2749 1 1 4 ABA HG3 H 1.713 2.780 6.964 1.00 . A A . 4 ABA HG3 1 1
12 2750 1 1 4 ABA N N 2.416 4.376 3.537 1.00 . A A . 4 ABA N 1 1
12 2751 1 1 4 ABA O O 4.958 4.895 2.858 1.00 . A A . 4 ABA O 1 1
12 2752 1 1 5 LEU C C 7.767 3.717 2.985 1.00 . A A . 5 LEU C 1 1
12 2753 1 1 5 LEU CA C 7.171 4.189 4.320 1.00 . A A . 5 LEU CA 1 1
12 2754 1 1 5 LEU CB C 8.091 3.819 5.487 1.00 . A A . 5 LEU CB 1 1
12 2755 1 1 5 LEU CD1 C 8.721 4.047 7.896 1.00 . A A . 5 LEU CD1 1 1
12 2756 1 1 5 LEU CD2 C 7.580 5.935 6.721 1.00 . A A . 5 LEU CD2 1 1
12 2757 1 1 5 LEU CG C 7.702 4.422 6.834 1.00 . A A . 5 LEU CG 1 1
12 2758 1 1 5 LEU H H 5.663 2.998 5.226 1.00 . A A . 5 LEU H 1 1
12 2759 1 1 5 LEU HA H 7.086 5.265 4.286 1.00 . A A . 5 LEU HA 1 1
12 2760 1 1 5 LEU HB2 H 8.094 2.741 5.585 1.00 . A A . 5 LEU HB2 1 1
12 2761 1 1 5 LEU HB3 H 9.092 4.143 5.245 1.00 . A A . 5 LEU HB3 1 1
12 2762 1 1 5 LEU HD11 H 9.192 3.111 7.629 1.00 . A A . 5 LEU HD11 1 1
12 2763 1 1 5 LEU HD12 H 8.224 3.938 8.849 1.00 . A A . 5 LEU HD12 1 1
12 2764 1 1 5 LEU HD13 H 9.472 4.819 7.968 1.00 . A A . 5 LEU HD13 1 1
12 2765 1 1 5 LEU HD21 H 8.442 6.400 7.175 1.00 . A A . 5 LEU HD21 1 1
12 2766 1 1 5 LEU HD22 H 6.684 6.263 7.229 1.00 . A A . 5 LEU HD22 1 1
12 2767 1 1 5 LEU HD23 H 7.526 6.217 5.680 1.00 . A A . 5 LEU HD23 1 1
12 2768 1 1 5 LEU HG H 6.742 4.028 7.135 1.00 . A A . 5 LEU HG 1 1
12 2769 1 1 5 LEU N N 5.823 3.662 4.522 1.00 . A A . 5 LEU N 1 1
12 2770 1 1 5 LEU O O 8.160 4.548 2.164 1.00 . A A . 5 LEU O 1 1
12 2771 1 1 6 PRO C C 7.490 2.253 0.279 1.00 . A A . 6 PRO C 1 1
12 2772 1 1 6 PRO CA C 8.374 1.877 1.464 1.00 . A A . 6 PRO CA 1 1
12 2773 1 1 6 PRO CB C 8.398 0.359 1.658 1.00 . A A . 6 PRO CB 1 1
12 2774 1 1 6 PRO CD C 7.413 1.297 3.622 1.00 . A A . 6 PRO CD 1 1
12 2775 1 1 6 PRO CG C 7.401 0.091 2.729 1.00 . A A . 6 PRO CG 1 1
12 2776 1 1 6 PRO HA H 9.378 2.234 1.286 1.00 . A A . 6 PRO HA 1 1
12 2777 1 1 6 PRO HB2 H 8.127 -0.130 0.734 1.00 . A A . 6 PRO HB2 1 1
12 2778 1 1 6 PRO HB3 H 9.387 0.049 1.958 1.00 . A A . 6 PRO HB3 1 1
12 2779 1 1 6 PRO HD2 H 6.423 1.489 4.011 1.00 . A A . 6 PRO HD2 1 1
12 2780 1 1 6 PRO HD3 H 8.117 1.162 4.429 1.00 . A A . 6 PRO HD3 1 1
12 2781 1 1 6 PRO HG2 H 6.422 -0.047 2.293 1.00 . A A . 6 PRO HG2 1 1
12 2782 1 1 6 PRO HG3 H 7.692 -0.788 3.284 1.00 . A A . 6 PRO HG3 1 1
12 2783 1 1 6 PRO N N 7.843 2.390 2.729 1.00 . A A . 6 PRO N 1 1
12 2784 1 1 6 PRO O O 6.289 2.501 0.437 1.00 . A A . 6 PRO O 1 1
12 2785 1 1 7 GLY C C 7.272 1.520 -3.077 1.00 . A A . 7 GLY C 1 1
12 2786 1 1 7 GLY CA C 7.347 2.664 -2.090 1.00 . A A . 7 GLY CA 1 1
12 2787 1 1 7 GLY H H 9.049 2.105 -0.961 1.00 . A A . 7 GLY H 1 1
12 2788 1 1 7 GLY HA2 H 6.346 2.952 -1.804 1.00 . A A . 7 GLY HA2 1 1
12 2789 1 1 7 GLY HA3 H 7.830 3.504 -2.566 1.00 . A A . 7 GLY HA3 1 1
12 2790 1 1 7 GLY N N 8.088 2.308 -0.898 1.00 . A A . 7 GLY N 1 1
12 2791 1 1 7 GLY O O 6.312 1.408 -3.837 1.00 . A A . 7 GLY O 1 1
12 2792 1 1 8 GLY C C 8.368 -1.808 -3.159 1.00 . A A . 8 GLY C 1 1
12 2793 1 1 8 GLY CA C 8.277 -0.504 -3.921 1.00 . A A . 8 GLY CA 1 1
12 2794 1 1 8 GLY H H 8.991 0.760 -2.386 1.00 . A A . 8 GLY H 1 1
12 2795 1 1 8 GLY HA2 H 7.370 -0.504 -4.508 1.00 . A A . 8 GLY HA2 1 1
12 2796 1 1 8 GLY HA3 H 9.124 -0.430 -4.586 1.00 . A A . 8 GLY HA3 1 1
12 2797 1 1 8 GLY N N 8.267 0.644 -3.040 1.00 . A A . 8 GLY N 1 1
12 2798 1 1 8 GLY O O 8.906 -1.847 -2.050 1.00 . A A . 8 GLY O 1 1
12 2799 1 1 9 GLY C C 6.920 -4.286 -1.957 1.00 . A A . 9 GLY C 1 1
12 2800 1 1 9 GLY CA C 7.887 -4.175 -3.118 1.00 . A A . 9 GLY CA 1 1
12 2801 1 1 9 GLY H H 7.422 -2.767 -4.632 1.00 . A A . 9 GLY H 1 1
12 2802 1 1 9 GLY HA2 H 7.635 -4.927 -3.853 1.00 . A A . 9 GLY HA2 1 1
12 2803 1 1 9 GLY HA3 H 8.888 -4.359 -2.758 1.00 . A A . 9 GLY HA3 1 1
12 2804 1 1 9 GLY N N 7.848 -2.871 -3.752 1.00 . A A . 9 GLY N 1 1
12 2805 1 1 9 GLY O O 5.792 -3.791 -2.034 1.00 . A A . 9 GLY O 1 1
12 2806 1 1 10 GLY C C 6.313 -3.851 1.033 1.00 . A A . 10 GLY C 1 1
12 2807 1 1 10 GLY CA C 6.513 -5.144 0.273 1.00 . A A . 10 GLY CA 1 1
12 2808 1 1 10 GLY H H 8.248 -5.361 -0.917 1.00 . A A . 10 GLY H 1 1
12 2809 1 1 10 GLY HA2 H 5.549 -5.524 -0.036 1.00 . A A . 10 GLY HA2 1 1
12 2810 1 1 10 GLY HA3 H 6.980 -5.866 0.929 1.00 . A A . 10 GLY HA3 1 1
12 2811 1 1 10 GLY N N 7.347 -4.968 -0.900 1.00 . A A . 10 GLY N 1 1
12 2812 1 1 10 GLY O O 7.136 -3.477 1.870 1.00 . A A . 10 GLY O 1 1
12 2813 1 1 11 VAL C C 4.056 -1.888 2.417 1.00 . A A . 11 VAL C 1 1
12 2814 1 1 11 VAL CA C 5.028 -1.821 1.262 1.00 . A A . 11 VAL CA 1 1
12 2815 1 1 11 VAL CB C 4.496 -0.800 0.236 1.00 . A A . 11 VAL CB 1 1
12 2816 1 1 11 VAL CG1 C 5.517 -0.567 -0.863 1.00 . A A . 11 VAL CG1 1 1
12 2817 1 1 11 VAL CG2 C 3.170 -1.252 -0.359 1.00 . A A . 11 VAL CG2 1 1
12 2818 1 1 11 VAL H H 4.698 -3.436 -0.053 1.00 . A A . 11 VAL H 1 1
12 2819 1 1 11 VAL HA H 5.967 -1.449 1.644 1.00 . A A . 11 VAL HA 1 1
12 2820 1 1 11 VAL HB H 4.331 0.141 0.756 1.00 . A A . 11 VAL HB 1 1
12 2821 1 1 11 VAL HG11 H 6.038 -1.490 -1.072 1.00 . A A . 11 VAL HG11 1 1
12 2822 1 1 11 VAL HG12 H 6.227 0.182 -0.541 1.00 . A A . 11 VAL HG12 1 1
12 2823 1 1 11 VAL HG13 H 5.013 -0.227 -1.755 1.00 . A A . 11 VAL HG13 1 1
12 2824 1 1 11 VAL HG21 H 2.527 -1.620 0.428 1.00 . A A . 11 VAL HG21 1 1
12 2825 1 1 11 VAL HG22 H 3.348 -2.039 -1.075 1.00 . A A . 11 VAL HG22 1 1
12 2826 1 1 11 VAL HG23 H 2.695 -0.417 -0.851 1.00 . A A . 11 VAL HG23 1 1
12 2827 1 1 11 VAL N N 5.271 -3.124 0.675 1.00 . A A . 11 VAL N 1 1
12 2828 1 1 11 VAL O O 3.251 -2.816 2.540 1.00 . A A . 11 VAL O 1 1
12 2829 1 1 12 CYS C C 1.824 -0.301 3.813 1.00 . A A . 12 CYS C 1 1
12 2830 1 1 12 CYS CA C 3.229 -0.624 4.320 1.00 . A A . 12 CYS CA 1 1
12 2831 1 1 12 CYS CB C 3.830 0.516 5.145 1.00 . A A . 12 CYS CB 1 1
12 2832 1 1 12 CYS H H 4.760 -0.140 2.987 1.00 . A A . 12 CYS H 1 1
12 2833 1 1 12 CYS HA H 3.197 -1.523 4.916 1.00 . A A . 12 CYS HA 1 1
12 2834 1 1 12 CYS HB2 H 4.514 0.088 5.859 1.00 . A A . 12 CYS HB2 1 1
12 2835 1 1 12 CYS HB3 H 4.391 1.154 4.479 1.00 . A A . 12 CYS HB3 1 1
12 2836 1 1 12 CYS N N 4.118 -0.843 3.207 1.00 . A A . 12 CYS N 1 1
12 2837 1 1 12 CYS O O 1.544 0.819 3.402 1.00 . A A . 12 CYS O 1 1
12 2838 1 1 12 CYS SG S 2.661 1.549 6.043 1.00 . A A . 12 CYS SG 1 1
12 2839 1 1 13 ABA C C -0.403 -1.744 1.724 1.00 . A A . 13 ABA C 1 1
12 2840 1 1 13 ABA CA C -0.331 -1.144 3.115 1.00 . A A . 13 ABA CA 1 1
12 2841 1 1 13 ABA CB C -1.434 -1.784 3.982 1.00 . A A . 13 ABA CB 1 1
12 2842 1 1 13 ABA CG C -1.156 -1.560 5.460 1.00 . A A . 13 ABA CG 1 1
12 2843 1 1 13 ABA H H 1.296 -2.226 3.930 1.00 . A A . 13 ABA H 1 1
12 2844 1 1 13 ABA HA H -0.523 -0.075 3.036 1.00 . A A . 13 ABA HA 1 1
12 2845 1 1 13 ABA HB3 H -1.426 -2.851 3.793 1.00 . A A . 13 ABA HB3 1 1
12 2846 1 1 13 ABA HG1 H -0.423 -2.277 5.800 1.00 . A A . 13 ABA HG1 1 1
12 2847 1 1 13 ABA HG2 H -2.070 -1.686 6.022 1.00 . A A . 13 ABA HG2 1 1
12 2848 1 1 13 ABA HG3 H -0.776 -0.561 5.607 1.00 . A A . 13 ABA HG3 1 1
12 2849 1 1 13 ABA N N 0.992 -1.323 3.690 1.00 . A A . 13 ABA N 1 1
12 2850 1 1 13 ABA O O -1.056 -1.195 0.848 1.00 . A A . 13 ABA O 1 1
12 2851 1 1 14 LEU C C -1.013 -4.159 -0.134 1.00 . A A . 14 LEU C 1 1
12 2852 1 1 14 LEU CA C 0.320 -3.486 0.221 1.00 . A A . 14 LEU CA 1 1
12 2853 1 1 14 LEU CB C 1.472 -4.491 0.195 1.00 . A A . 14 LEU CB 1 1
12 2854 1 1 14 LEU CD1 C 1.640 -4.586 -2.305 1.00 . A A . 14 LEU CD1 1 1
12 2855 1 1 14 LEU CD2 C 2.632 -6.410 -0.909 1.00 . A A . 14 LEU CD2 1 1
12 2856 1 1 14 LEU CG C 1.504 -5.396 -1.024 1.00 . A A . 14 LEU CG 1 1
12 2857 1 1 14 LEU H H 0.765 -3.270 2.258 1.00 . A A . 14 LEU H 1 1
12 2858 1 1 14 LEU HA H 0.517 -2.715 -0.508 1.00 . A A . 14 LEU HA 1 1
12 2859 1 1 14 LEU HB2 H 2.403 -3.943 0.238 1.00 . A A . 14 LEU HB2 1 1
12 2860 1 1 14 LEU HB3 H 1.399 -5.112 1.076 1.00 . A A . 14 LEU HB3 1 1
12 2861 1 1 14 LEU HD11 H 1.781 -5.255 -3.141 1.00 . A A . 14 LEU HD11 1 1
12 2862 1 1 14 LEU HD12 H 2.490 -3.923 -2.228 1.00 . A A . 14 LEU HD12 1 1
12 2863 1 1 14 LEU HD13 H 0.744 -4.004 -2.458 1.00 . A A . 14 LEU HD13 1 1
12 2864 1 1 14 LEU HD21 H 2.819 -6.849 -1.878 1.00 . A A . 14 LEU HD21 1 1
12 2865 1 1 14 LEU HD22 H 2.350 -7.184 -0.212 1.00 . A A . 14 LEU HD22 1 1
12 2866 1 1 14 LEU HD23 H 3.527 -5.918 -0.560 1.00 . A A . 14 LEU HD23 1 1
12 2867 1 1 14 LEU HG H 0.572 -5.931 -1.060 1.00 . A A . 14 LEU HG 1 1
12 2868 1 1 14 LEU N N 0.271 -2.860 1.521 1.00 . A A . 14 LEU N 1 1
12 2869 1 1 14 LEU O O -1.244 -5.324 0.185 1.00 . A A . 14 LEU O 1 1
12 2870 1 1 15 ABA C C -4.314 -3.180 -0.633 1.00 . A A . 15 ABA C 1 1
12 2871 1 1 15 ABA CA C -3.158 -3.935 -1.268 1.00 . A A . 15 ABA CA 1 1
12 2872 1 1 15 ABA CB C -3.273 -3.862 -2.809 1.00 . A A . 15 ABA CB 1 1
12 2873 1 1 15 ABA CG C -2.434 -4.981 -3.401 1.00 . A A . 15 ABA CG 1 1
12 2874 1 1 15 ABA H H -1.640 -2.481 -1.015 1.00 . A A . 15 ABA H 1 1
12 2875 1 1 15 ABA HA H -3.217 -4.972 -0.975 1.00 . A A . 15 ABA HA 1 1
12 2876 1 1 15 ABA HB3 H -4.302 -4.033 -3.079 1.00 . A A . 15 ABA HB3 1 1
12 2877 1 1 15 ABA HG1 H -1.527 -5.091 -2.828 1.00 . A A . 15 ABA HG1 1 1
12 2878 1 1 15 ABA HG2 H -2.186 -4.746 -4.426 1.00 . A A . 15 ABA HG2 1 1
12 2879 1 1 15 ABA HG3 H -2.992 -5.905 -3.370 1.00 . A A . 15 ABA HG3 1 1
12 2880 1 1 15 ABA N N -1.876 -3.412 -0.810 1.00 . A A . 15 ABA N 1 1
12 2881 1 1 15 ABA O O -4.111 -2.112 -0.049 1.00 . A A . 15 ABA O 1 1
12 2882 1 1 16 DHA C C -6.663 -2.736 1.164 1.00 . A A . 16 DHA C 1 1
12 2883 1 1 16 DHA CA C -6.622 -3.160 -0.184 1.00 . A A . 16 DHA CA 1 1
12 2884 1 1 16 DHA CB C -7.691 -2.962 -0.967 1.00 . A A . 16 DHA CB 1 1
12 2885 1 1 16 DHA H H -5.536 -4.649 -1.149 1.00 . A A . 16 DHA H 1 1
12 2886 1 1 16 DHA HB1 H -7.671 -3.279 -2.001 1.00 . A A . 16 DHA HB1 1 1
12 2887 1 1 16 DHA HB2 H -8.575 -2.487 -0.566 1.00 . A A . 16 DHA HB2 1 1
12 2888 1 1 16 DHA N N -5.507 -3.768 -0.708 1.00 . A A . 16 DHA N 1 1
12 2889 1 1 16 DHA O O -7.401 -1.810 1.510 1.00 . A A . 16 DHA O 1 1
12 2890 1 1 17 GLU C C -5.298 -1.502 3.524 1.00 . A A . 17 GLU C 1 1
12 2891 1 1 17 GLU CA C -5.712 -2.969 3.391 1.00 . A A . 17 GLU CA 1 1
12 2892 1 1 17 GLU CB C -4.693 -3.872 4.090 1.00 . A A . 17 GLU CB 1 1
12 2893 1 1 17 GLU CD C -3.318 -4.334 6.146 1.00 . A A . 17 GLU CD 1 1
12 2894 1 1 17 GLU CG C -4.425 -3.504 5.538 1.00 . A A . 17 GLU CG 1 1
12 2895 1 1 17 GLU H H -5.235 -4.055 1.638 1.00 . A A . 17 GLU H 1 1
12 2896 1 1 17 GLU HA H -6.679 -3.103 3.852 1.00 . A A . 17 GLU HA 1 1
12 2897 1 1 17 GLU HB2 H -5.056 -4.890 4.062 1.00 . A A . 17 GLU HB2 1 1
12 2898 1 1 17 GLU HB3 H -3.761 -3.819 3.550 1.00 . A A . 17 GLU HB3 1 1
12 2899 1 1 17 GLU HG2 H -4.143 -2.464 5.589 1.00 . A A . 17 GLU HG2 1 1
12 2900 1 1 17 GLU HG3 H -5.328 -3.662 6.111 1.00 . A A . 17 GLU HG3 1 1
12 2901 1 1 17 GLU N N -5.823 -3.346 1.991 1.00 . A A . 17 GLU N 1 1
12 2902 1 1 17 GLU O O -5.768 -0.795 4.414 1.00 . A A . 17 GLU O 1 1
12 2903 1 1 17 GLU OE1 O -2.917 -5.341 5.530 1.00 . A A . 17 GLU OE1 1 1
12 2904 1 1 17 GLU OE2 O -2.838 -3.986 7.244 1.00 . A A . 17 GLU OE2 1 1
12 2905 1 1 18 CYS C C -4.102 0.970 1.191 1.00 . A A . 18 CYS C 1 1
12 2906 1 1 18 CYS CA C -4.076 0.375 2.594 1.00 . A A . 18 CYS CA 1 1
12 2907 1 1 18 CYS CB C -2.673 0.557 3.152 1.00 . A A . 18 CYS CB 1 1
12 2908 1 1 18 CYS H H -4.183 -1.612 1.864 1.00 . A A . 18 CYS H 1 1
12 2909 1 1 18 CYS HA H -4.772 0.919 3.215 1.00 . A A . 18 CYS HA 1 1
12 2910 1 1 18 CYS HB2 H -1.981 0.248 2.391 1.00 . A A . 18 CYS HB2 1 1
12 2911 1 1 18 CYS HB3 H -2.515 1.607 3.352 1.00 . A A . 18 CYS HB3 1 1
12 2912 1 1 18 CYS N N -4.475 -1.027 2.596 1.00 . A A . 18 CYS N 1 1
12 2913 1 1 18 CYS O O -4.998 1.746 0.857 1.00 . A A . 18 CYS O 1 1
12 2914 1 1 18 CYS SG S -2.311 -0.363 4.660 1.00 . A A . 18 CYS SG 1 1
12 2915 1 1 19 ILE C C -3.832 1.119 -1.844 1.00 . A A . 19 ILE C 1 1
12 2916 1 1 19 ILE CA C -2.787 1.482 -0.792 1.00 . A A . 19 ILE CA 1 1
12 2917 1 1 19 ILE CB C -1.385 1.240 -1.390 1.00 . A A . 19 ILE CB 1 1
12 2918 1 1 19 ILE CD1 C 0.075 -0.468 -2.597 1.00 . A A . 19 ILE CD1 1 1
12 2919 1 1 19 ILE CG1 C -1.226 -0.204 -1.872 1.00 . A A . 19 ILE CG1 1 1
12 2920 1 1 19 ILE CG2 C -0.308 1.596 -0.376 1.00 . A A . 19 ILE CG2 1 1
12 2921 1 1 19 ILE H H -2.256 0.254 0.831 1.00 . A A . 19 ILE H 1 1
12 2922 1 1 19 ILE HA H -2.858 2.524 -0.557 1.00 . A A . 19 ILE HA 1 1
12 2923 1 1 19 ILE HB H -1.275 1.900 -2.229 1.00 . A A . 19 ILE HB 1 1
12 2924 1 1 19 ILE HD11 H 0.225 0.291 -3.351 1.00 . A A . 19 ILE HD11 1 1
12 2925 1 1 19 ILE HD12 H 0.037 -1.439 -3.066 1.00 . A A . 19 ILE HD12 1 1
12 2926 1 1 19 ILE HD13 H 0.892 -0.440 -1.890 1.00 . A A . 19 ILE HD13 1 1
12 2927 1 1 19 ILE HG12 H -1.271 -0.866 -1.019 1.00 . A A . 19 ILE HG12 1 1
12 2928 1 1 19 ILE HG13 H -2.039 -0.441 -2.546 1.00 . A A . 19 ILE HG13 1 1
12 2929 1 1 19 ILE HG21 H 0.364 2.324 -0.803 1.00 . A A . 19 ILE HG21 1 1
12 2930 1 1 19 ILE HG22 H 0.245 0.705 -0.116 1.00 . A A . 19 ILE HG22 1 1
12 2931 1 1 19 ILE HG23 H -0.768 2.005 0.510 1.00 . A A . 19 ILE HG23 1 1
12 2932 1 1 19 ILE N N -3.000 0.773 0.455 1.00 . A A . 19 ILE N 1 1
12 2933 1 1 19 ILE O O -4.077 1.872 -2.786 1.00 . A A . 19 ILE O 1 1
12 2934 1 1 20 TEE CA C -5.238 -0.545 -2.673 1.00 . A A . 20 TEE CA 1 1
12 2935 1 1 20 TEE CB C -4.807 -1.516 -3.597 1.00 . A A . 20 TEE CB 1 1
12 2936 1 1 20 TEE HA H -5.292 -1.461 -2.104 1.00 . A A . 20 TEE HA 1 1
12 2937 1 1 20 TEE HB2 H -4.914 -2.566 -3.367 1.00 . A A . 20 TEE HB2 1 1
12 2938 1 1 20 TEE HN1 H -4.046 -0.634 -0.977 1.00 . A A . 20 TEE HN1 1 1
12 2939 1 1 20 TEE N N -4.360 -0.088 -1.730 1.00 . A A . 20 TEE N 1 1
12 2940 1 1 20 TEE SG S -3.391 -2.545 -4.048 1.00 . A A . 20 TEE SG 1 1
13 2941 1 1 1 CYS C C 1.976 7.700 -0.900 1.00 . A A . 1 CYS C 1 1
13 2942 1 1 1 CYS CA C 2.264 8.664 0.258 1.00 . A A . 1 CYS CA 1 1
13 2943 1 1 1 CYS CB C 1.560 10.007 0.059 1.00 . A A . 1 CYS CB 1 1
13 2944 1 1 1 CYS H1 H 4.100 9.177 -0.570 1.00 . A A . 1 CYS H1 1 1
13 2945 1 1 1 CYS H2 H 4.198 8.026 0.670 1.00 . A A . 1 CYS H2 1 1
13 2946 1 1 1 CYS H3 H 3.917 9.656 1.049 1.00 . A A . 1 CYS H3 1 1
13 2947 1 1 1 CYS HA H 1.924 8.215 1.181 1.00 . A A . 1 CYS HA 1 1
13 2948 1 1 1 CYS HB2 H 2.179 10.794 0.463 1.00 . A A . 1 CYS HB2 1 1
13 2949 1 1 1 CYS HB3 H 1.415 10.177 -0.998 1.00 . A A . 1 CYS HB3 1 1
13 2950 1 1 1 CYS N N 3.719 8.897 0.361 1.00 . A A . 1 CYS N 1 1
13 2951 1 1 1 CYS O O 2.820 7.556 -1.788 1.00 . A A . 1 CYS O 1 1
13 2952 1 1 1 CYS SG S -0.045 10.072 0.869 1.00 . A A . 1 CYS SG 1 1
13 2953 1 1 2 ABA C C 0.261 6.524 1.524 1.00 . A A . 2 ABA C 1 1
13 2954 1 1 2 ABA CA C -0.191 7.048 0.161 1.00 . A A . 2 ABA CA 1 1
13 2955 1 1 2 ABA CB C -0.705 8.497 0.305 1.00 . A A . 2 ABA CB 1 1
13 2956 1 1 2 ABA CG C -1.841 8.767 -0.668 1.00 . A A . 2 ABA CG 1 1
13 2957 1 1 2 ABA H H 0.705 6.328 -1.614 1.00 . A A . 2 ABA H 1 1
13 2958 1 1 2 ABA HA H -1.020 6.442 -0.173 1.00 . A A . 2 ABA HA 1 1
13 2959 1 1 2 ABA HB3 H -1.085 8.622 1.309 1.00 . A A . 2 ABA HB3 1 1
13 2960 1 1 2 ABA HG1 H -2.256 7.830 -1.008 1.00 . A A . 2 ABA HG1 1 1
13 2961 1 1 2 ABA HG2 H -1.463 9.322 -1.515 1.00 . A A . 2 ABA HG2 1 1
13 2962 1 1 2 ABA HG3 H -2.611 9.344 -0.175 1.00 . A A . 2 ABA HG3 1 1
13 2963 1 1 2 ABA N N 0.856 6.949 -0.868 1.00 . A A . 2 ABA N 1 1
13 2964 1 1 2 ABA O O 1.445 6.563 1.862 1.00 . A A . 2 ABA O 1 1
13 2965 1 1 3 PHE C C 0.469 4.269 3.563 1.00 . A A . 3 PHE C 1 1
13 2966 1 1 3 PHE CA C -0.409 5.514 3.635 1.00 . A A . 3 PHE CA 1 1
13 2967 1 1 3 PHE CB C -1.708 5.202 4.382 1.00 . A A . 3 PHE CB 1 1
13 2968 1 1 3 PHE CD1 C -0.748 5.750 6.638 1.00 . A A . 3 PHE CD1 1 1
13 2969 1 1 3 PHE CD2 C -2.059 3.772 6.419 1.00 . A A . 3 PHE CD2 1 1
13 2970 1 1 3 PHE CE1 C -0.558 5.478 7.980 1.00 . A A . 3 PHE CE1 1 1
13 2971 1 1 3 PHE CE2 C -1.873 3.495 7.760 1.00 . A A . 3 PHE CE2 1 1
13 2972 1 1 3 PHE CG C -1.502 4.904 5.843 1.00 . A A . 3 PHE CG 1 1
13 2973 1 1 3 PHE CZ C -1.125 4.356 8.544 1.00 . A A . 3 PHE CZ 1 1
13 2974 1 1 3 PHE H H -1.618 6.006 1.972 1.00 . A A . 3 PHE H 1 1
13 2975 1 1 3 PHE HA H 0.129 6.281 4.174 1.00 . A A . 3 PHE HA 1 1
13 2976 1 1 3 PHE HB2 H -2.372 6.051 4.306 1.00 . A A . 3 PHE HB2 1 1
13 2977 1 1 3 PHE HB3 H -2.178 4.341 3.928 1.00 . A A . 3 PHE HB3 1 1
13 2978 1 1 3 PHE HD1 H -0.307 6.634 6.203 1.00 . A A . 3 PHE HD1 1 1
13 2979 1 1 3 PHE HD2 H -2.648 3.103 5.807 1.00 . A A . 3 PHE HD2 1 1
13 2980 1 1 3 PHE HE1 H 0.033 6.147 8.589 1.00 . A A . 3 PHE HE1 1 1
13 2981 1 1 3 PHE HE2 H -2.313 2.609 8.196 1.00 . A A . 3 PHE HE2 1 1
13 2982 1 1 3 PHE HZ H -0.978 4.141 9.592 1.00 . A A . 3 PHE HZ 1 1
13 2983 1 1 3 PHE N N -0.694 6.028 2.303 1.00 . A A . 3 PHE N 1 1
13 2984 1 1 3 PHE O O 0.003 3.187 3.207 1.00 . A A . 3 PHE O 1 1
13 2985 1 1 4 ABA C C 4.103 3.938 3.490 1.00 . A A . 4 ABA C 1 1
13 2986 1 1 4 ABA CA C 2.719 3.368 3.829 1.00 . A A . 4 ABA CA 1 1
13 2987 1 1 4 ABA CB C 2.757 2.596 5.179 1.00 . A A . 4 ABA CB 1 1
13 2988 1 1 4 ABA CG C 2.477 3.511 6.365 1.00 . A A . 4 ABA CG 1 1
13 2989 1 1 4 ABA H H 2.053 5.352 4.107 1.00 . A A . 4 ABA H 1 1
13 2990 1 1 4 ABA HA H 2.432 2.671 3.042 1.00 . A A . 4 ABA HA 1 1
13 2991 1 1 4 ABA HB3 H 3.737 2.165 5.303 1.00 . A A . 4 ABA HB3 1 1
13 2992 1 1 4 ABA HG1 H 1.412 3.553 6.545 1.00 . A A . 4 ABA HG1 1 1
13 2993 1 1 4 ABA HG2 H 2.844 4.504 6.151 1.00 . A A . 4 ABA HG2 1 1
13 2994 1 1 4 ABA HG3 H 2.975 3.125 7.243 1.00 . A A . 4 ABA HG3 1 1
13 2995 1 1 4 ABA N N 1.744 4.448 3.866 1.00 . A A . 4 ABA N 1 1
13 2996 1 1 4 ABA O O 4.330 4.362 2.356 1.00 . A A . 4 ABA O 1 1
13 2997 1 1 5 LEU C C 7.152 4.052 3.294 1.00 . A A . 5 LEU C 1 1
13 2998 1 1 5 LEU CA C 6.253 4.756 4.326 1.00 . A A . 5 LEU CA 1 1
13 2999 1 1 5 LEU CB C 6.979 4.868 5.673 1.00 . A A . 5 LEU CB 1 1
13 3000 1 1 5 LEU CD1 C 7.027 5.675 8.047 1.00 . A A . 5 LEU CD1 1 1
13 3001 1 1 5 LEU CD2 C 6.153 7.165 6.241 1.00 . A A . 5 LEU CD2 1 1
13 3002 1 1 5 LEU CG C 6.275 5.728 6.725 1.00 . A A . 5 LEU CG 1 1
13 3003 1 1 5 LEU H H 4.676 3.852 5.407 1.00 . A A . 5 LEU H 1 1
13 3004 1 1 5 LEU HA H 6.052 5.754 3.967 1.00 . A A . 5 LEU HA 1 1
13 3005 1 1 5 LEU HB2 H 7.098 3.872 6.076 1.00 . A A . 5 LEU HB2 1 1
13 3006 1 1 5 LEU HB3 H 7.958 5.286 5.497 1.00 . A A . 5 LEU HB3 1 1
13 3007 1 1 5 LEU HD11 H 7.444 4.689 8.183 1.00 . A A . 5 LEU HD11 1 1
13 3008 1 1 5 LEU HD12 H 6.348 5.895 8.857 1.00 . A A . 5 LEU HD12 1 1
13 3009 1 1 5 LEU HD13 H 7.823 6.405 8.037 1.00 . A A . 5 LEU HD13 1 1
13 3010 1 1 5 LEU HD21 H 5.215 7.579 6.578 1.00 . A A . 5 LEU HD21 1 1
13 3011 1 1 5 LEU HD22 H 6.189 7.184 5.161 1.00 . A A . 5 LEU HD22 1 1
13 3012 1 1 5 LEU HD23 H 6.969 7.750 6.639 1.00 . A A . 5 LEU HD23 1 1
13 3013 1 1 5 LEU HG H 5.280 5.344 6.891 1.00 . A A . 5 LEU HG 1 1
13 3014 1 1 5 LEU N N 4.959 4.095 4.502 1.00 . A A . 5 LEU N 1 1
13 3015 1 1 5 LEU O O 7.629 4.701 2.362 1.00 . A A . 5 LEU O 1 1
13 3016 1 1 6 PRO C C 7.727 1.967 1.092 1.00 . A A . 6 PRO C 1 1
13 3017 1 1 6 PRO CA C 8.308 2.018 2.502 1.00 . A A . 6 PRO CA 1 1
13 3018 1 1 6 PRO CB C 8.418 0.610 3.095 1.00 . A A . 6 PRO CB 1 1
13 3019 1 1 6 PRO CD C 6.961 1.850 4.521 1.00 . A A . 6 PRO CD 1 1
13 3020 1 1 6 PRO CG C 7.235 0.475 3.986 1.00 . A A . 6 PRO CG 1 1
13 3021 1 1 6 PRO HA H 9.288 2.472 2.463 1.00 . A A . 6 PRO HA 1 1
13 3022 1 1 6 PRO HB2 H 8.399 -0.121 2.302 1.00 . A A . 6 PRO HB2 1 1
13 3023 1 1 6 PRO HB3 H 9.340 0.523 3.651 1.00 . A A . 6 PRO HB3 1 1
13 3024 1 1 6 PRO HD2 H 5.904 1.985 4.694 1.00 . A A . 6 PRO HD2 1 1
13 3025 1 1 6 PRO HD3 H 7.520 2.020 5.428 1.00 . A A . 6 PRO HD3 1 1
13 3026 1 1 6 PRO HG2 H 6.385 0.116 3.421 1.00 . A A . 6 PRO HG2 1 1
13 3027 1 1 6 PRO HG3 H 7.460 -0.204 4.797 1.00 . A A . 6 PRO HG3 1 1
13 3028 1 1 6 PRO N N 7.433 2.734 3.441 1.00 . A A . 6 PRO N 1 1
13 3029 1 1 6 PRO O O 6.509 2.020 0.912 1.00 . A A . 6 PRO O 1 1
13 3030 1 1 7 GLY C C 9.115 1.150 -2.186 1.00 . A A . 7 GLY C 1 1
13 3031 1 1 7 GLY CA C 8.162 1.905 -1.283 1.00 . A A . 7 GLY CA 1 1
13 3032 1 1 7 GLY H H 9.564 1.911 0.305 1.00 . A A . 7 GLY H 1 1
13 3033 1 1 7 GLY HA2 H 7.188 1.441 -1.337 1.00 . A A . 7 GLY HA2 1 1
13 3034 1 1 7 GLY HA3 H 8.084 2.924 -1.629 1.00 . A A . 7 GLY HA3 1 1
13 3035 1 1 7 GLY N N 8.602 1.911 0.098 1.00 . A A . 7 GLY N 1 1
13 3036 1 1 7 GLY O O 9.553 1.671 -3.209 1.00 . A A . 7 GLY O 1 1
13 3037 1 1 8 GLY C C 9.792 -2.206 -2.973 1.00 . A A . 8 GLY C 1 1
13 3038 1 1 8 GLY CA C 10.383 -0.869 -2.575 1.00 . A A . 8 GLY CA 1 1
13 3039 1 1 8 GLY H H 9.085 -0.430 -0.951 1.00 . A A . 8 GLY H 1 1
13 3040 1 1 8 GLY HA2 H 10.645 -0.325 -3.469 1.00 . A A . 8 GLY HA2 1 1
13 3041 1 1 8 GLY HA3 H 11.279 -1.042 -1.995 1.00 . A A . 8 GLY HA3 1 1
13 3042 1 1 8 GLY N N 9.461 -0.068 -1.791 1.00 . A A . 8 GLY N 1 1
13 3043 1 1 8 GLY O O 10.494 -3.215 -3.017 1.00 . A A . 8 GLY O 1 1
13 3044 1 1 9 GLY C C 6.783 -3.849 -2.569 1.00 . A A . 9 GLY C 1 1
13 3045 1 1 9 GLY CA C 7.824 -3.453 -3.593 1.00 . A A . 9 GLY CA 1 1
13 3046 1 1 9 GLY H H 7.980 -1.382 -3.173 1.00 . A A . 9 GLY H 1 1
13 3047 1 1 9 GLY HA2 H 7.344 -3.324 -4.552 1.00 . A A . 9 GLY HA2 1 1
13 3048 1 1 9 GLY HA3 H 8.557 -4.243 -3.670 1.00 . A A . 9 GLY HA3 1 1
13 3049 1 1 9 GLY N N 8.494 -2.219 -3.232 1.00 . A A . 9 GLY N 1 1
13 3050 1 1 9 GLY O O 5.646 -3.376 -2.620 1.00 . A A . 9 GLY O 1 1
13 3051 1 1 10 GLY C C 6.138 -3.770 0.457 1.00 . A A . 10 GLY C 1 1
13 3052 1 1 10 GLY CA C 6.328 -4.948 -0.470 1.00 . A A . 10 GLY CA 1 1
13 3053 1 1 10 GLY H H 8.154 -4.868 -1.532 1.00 . A A . 10 GLY H 1 1
13 3054 1 1 10 GLY HA2 H 5.367 -5.247 -0.864 1.00 . A A . 10 GLY HA2 1 1
13 3055 1 1 10 GLY HA3 H 6.755 -5.770 0.085 1.00 . A A . 10 GLY HA3 1 1
13 3056 1 1 10 GLY N N 7.206 -4.614 -1.572 1.00 . A A . 10 GLY N 1 1
13 3057 1 1 10 GLY O O 6.963 -3.521 1.337 1.00 . A A . 10 GLY O 1 1
13 3058 1 1 11 VAL C C 4.041 -1.929 2.101 1.00 . A A . 11 VAL C 1 1
13 3059 1 1 11 VAL CA C 4.928 -1.721 0.904 1.00 . A A . 11 VAL CA 1 1
13 3060 1 1 11 VAL CB C 4.306 -0.610 0.027 1.00 . A A . 11 VAL CB 1 1
13 3061 1 1 11 VAL CG1 C 5.268 -0.185 -1.069 1.00 . A A . 11 VAL CG1 1 1
13 3062 1 1 11 VAL CG2 C 2.988 -1.073 -0.573 1.00 . A A . 11 VAL CG2 1 1
13 3063 1 1 11 VAL H H 4.586 -3.145 -0.619 1.00 . A A . 11 VAL H 1 1
13 3064 1 1 11 VAL HA H 5.884 -1.371 1.264 1.00 . A A . 11 VAL HA 1 1
13 3065 1 1 11 VAL HB H 4.103 0.253 0.660 1.00 . A A . 11 VAL HB 1 1
13 3066 1 1 11 VAL HG11 H 4.900 0.712 -1.544 1.00 . A A . 11 VAL HG11 1 1
13 3067 1 1 11 VAL HG12 H 5.351 -0.972 -1.803 1.00 . A A . 11 VAL HG12 1 1
13 3068 1 1 11 VAL HG13 H 6.239 0.009 -0.638 1.00 . A A . 11 VAL HG13 1 1
13 3069 1 1 11 VAL HG21 H 2.821 -2.109 -0.315 1.00 . A A . 11 VAL HG21 1 1
13 3070 1 1 11 VAL HG22 H 3.023 -0.970 -1.647 1.00 . A A . 11 VAL HG22 1 1
13 3071 1 1 11 VAL HG23 H 2.182 -0.472 -0.179 1.00 . A A . 11 VAL HG23 1 1
13 3072 1 1 11 VAL N N 5.140 -2.956 0.168 1.00 . A A . 11 VAL N 1 1
13 3073 1 1 11 VAL O O 3.259 -2.878 2.182 1.00 . A A . 11 VAL O 1 1
13 3074 1 1 12 CYS C C 1.849 -0.461 3.627 1.00 . A A . 12 CYS C 1 1
13 3075 1 1 12 CYS CA C 3.234 -0.880 4.103 1.00 . A A . 12 CYS CA 1 1
13 3076 1 1 12 CYS CB C 3.840 0.103 5.095 1.00 . A A . 12 CYS CB 1 1
13 3077 1 1 12 CYS H H 4.706 -0.209 2.789 1.00 . A A . 12 CYS H 1 1
13 3078 1 1 12 CYS HA H 3.172 -1.856 4.559 1.00 . A A . 12 CYS HA 1 1
13 3079 1 1 12 CYS HB2 H 4.485 -0.442 5.759 1.00 . A A . 12 CYS HB2 1 1
13 3080 1 1 12 CYS HB3 H 4.442 0.813 4.542 1.00 . A A . 12 CYS HB3 1 1
13 3081 1 1 12 CYS N N 4.114 -0.965 2.977 1.00 . A A . 12 CYS N 1 1
13 3082 1 1 12 CYS O O 1.658 0.661 3.174 1.00 . A A . 12 CYS O 1 1
13 3083 1 1 12 CYS SG S 2.651 1.031 6.072 1.00 . A A . 12 CYS SG 1 1
13 3084 1 1 13 ABA C C -0.300 -1.971 1.472 1.00 . A A . 13 ABA C 1 1
13 3085 1 1 13 ABA CA C -0.272 -1.216 2.779 1.00 . A A . 13 ABA CA 1 1
13 3086 1 1 13 ABA CB C -1.491 -1.661 3.620 1.00 . A A . 13 ABA CB 1 1
13 3087 1 1 13 ABA CG C -1.163 -1.672 5.106 1.00 . A A . 13 ABA CG 1 1
13 3088 1 1 13 ABA H H 1.282 -2.366 3.585 1.00 . A A . 13 ABA H 1 1
13 3089 1 1 13 ABA HA H -0.351 -0.160 2.573 1.00 . A A . 13 ABA HA 1 1
13 3090 1 1 13 ABA HB3 H -1.750 -2.669 3.325 1.00 . A A . 13 ABA HB3 1 1
13 3091 1 1 13 ABA HG1 H -0.512 -0.842 5.337 1.00 . A A . 13 ABA HG1 1 1
13 3092 1 1 13 ABA HG2 H -0.668 -2.599 5.357 1.00 . A A . 13 ABA HG2 1 1
13 3093 1 1 13 ABA HG3 H -2.075 -1.587 5.676 1.00 . A A . 13 ABA HG3 1 1
13 3094 1 1 13 ABA N N 0.990 -1.447 3.442 1.00 . A A . 13 ABA N 1 1
13 3095 1 1 13 ABA O O -0.961 -1.553 0.529 1.00 . A A . 13 ABA O 1 1
13 3096 1 1 14 LEU C C -0.896 -4.654 0.099 1.00 . A A . 14 LEU C 1 1
13 3097 1 1 14 LEU CA C 0.430 -3.919 0.246 1.00 . A A . 14 LEU CA 1 1
13 3098 1 1 14 LEU CB C 1.597 -4.903 0.333 1.00 . A A . 14 LEU CB 1 1
13 3099 1 1 14 LEU CD1 C 1.875 -5.314 -2.120 1.00 . A A . 14 LEU CD1 1 1
13 3100 1 1 14 LEU CD2 C 2.673 -7.013 -0.465 1.00 . A A . 14 LEU CD2 1 1
13 3101 1 1 14 LEU CG C 1.625 -5.953 -0.762 1.00 . A A . 14 LEU CG 1 1
13 3102 1 1 14 LEU H H 0.895 -3.396 2.216 1.00 . A A . 14 LEU H 1 1
13 3103 1 1 14 LEU HA H 0.571 -3.274 -0.607 1.00 . A A . 14 LEU HA 1 1
13 3104 1 1 14 LEU HB2 H 2.520 -4.341 0.289 1.00 . A A . 14 LEU HB2 1 1
13 3105 1 1 14 LEU HB3 H 1.547 -5.408 1.285 1.00 . A A . 14 LEU HB3 1 1
13 3106 1 1 14 LEU HD11 H 2.812 -5.674 -2.519 1.00 . A A . 14 LEU HD11 1 1
13 3107 1 1 14 LEU HD12 H 1.920 -4.242 -2.010 1.00 . A A . 14 LEU HD12 1 1
13 3108 1 1 14 LEU HD13 H 1.072 -5.574 -2.793 1.00 . A A . 14 LEU HD13 1 1
13 3109 1 1 14 LEU HD21 H 2.661 -7.244 0.590 1.00 . A A . 14 LEU HD21 1 1
13 3110 1 1 14 LEU HD22 H 3.648 -6.641 -0.742 1.00 . A A . 14 LEU HD22 1 1
13 3111 1 1 14 LEU HD23 H 2.452 -7.905 -1.033 1.00 . A A . 14 LEU HD23 1 1
13 3112 1 1 14 LEU HG H 0.661 -6.428 -0.784 1.00 . A A . 14 LEU HG 1 1
13 3113 1 1 14 LEU N N 0.401 -3.097 1.426 1.00 . A A . 14 LEU N 1 1
13 3114 1 1 14 LEU O O -1.030 -5.820 0.476 1.00 . A A . 14 LEU O 1 1
13 3115 1 1 15 ABA C C -4.245 -3.328 -0.140 1.00 . A A . 15 ABA C 1 1
13 3116 1 1 15 ABA CA C -3.248 -4.433 -0.425 1.00 . A A . 15 ABA CA 1 1
13 3117 1 1 15 ABA CB C -3.502 -5.020 -1.826 1.00 . A A . 15 ABA CB 1 1
13 3118 1 1 15 ABA CG C -3.277 -6.513 -1.796 1.00 . A A . 15 ABA CG 1 1
13 3119 1 1 15 ABA H H -1.755 -2.938 -0.439 1.00 . A A . 15 ABA H 1 1
13 3120 1 1 15 ABA HA H -3.368 -5.220 0.307 1.00 . A A . 15 ABA HA 1 1
13 3121 1 1 15 ABA HB3 H -4.534 -4.837 -2.092 1.00 . A A . 15 ABA HB3 1 1
13 3122 1 1 15 ABA HG1 H -2.339 -6.741 -2.275 1.00 . A A . 15 ABA HG1 1 1
13 3123 1 1 15 ABA HG2 H -4.082 -7.004 -2.320 1.00 . A A . 15 ABA HG2 1 1
13 3124 1 1 15 ABA HG3 H -3.253 -6.850 -0.771 1.00 . A A . 15 ABA HG3 1 1
13 3125 1 1 15 ABA N N -1.902 -3.911 -0.313 1.00 . A A . 15 ABA N 1 1
13 3126 1 1 15 ABA O O -3.853 -2.239 0.290 1.00 . A A . 15 ABA O 1 1
13 3127 1 1 16 DHA C C -6.673 -2.049 1.081 1.00 . A A . 16 DHA C 1 1
13 3128 1 1 16 DHA CA C -6.457 -2.607 -0.203 1.00 . A A . 16 DHA CA 1 1
13 3129 1 1 16 DHA CB C -7.159 -2.159 -1.245 1.00 . A A . 16 DHA CB 1 1
13 3130 1 1 16 DHA H H -5.734 -4.478 -0.765 1.00 . A A . 16 DHA H 1 1
13 3131 1 1 16 DHA HB1 H -6.995 -2.578 -2.227 1.00 . A A . 16 DHA HB1 1 1
13 3132 1 1 16 DHA HB2 H -7.865 -1.358 -1.113 1.00 . A A . 16 DHA HB2 1 1
13 3133 1 1 16 DHA N N -5.521 -3.586 -0.400 1.00 . A A . 16 DHA N 1 1
13 3134 1 1 16 DHA O O -7.340 -1.022 1.219 1.00 . A A . 16 DHA O 1 1
13 3135 1 1 17 GLU C C -5.504 -0.722 3.471 1.00 . A A . 17 GLU C 1 1
13 3136 1 1 17 GLU CA C -6.076 -2.131 3.445 1.00 . A A . 17 GLU CA 1 1
13 3137 1 1 17 GLU CB C -5.255 -3.034 4.372 1.00 . A A . 17 GLU CB 1 1
13 3138 1 1 17 GLU CD C -6.796 -2.986 6.394 1.00 . A A . 17 GLU CD 1 1
13 3139 1 1 17 GLU CG C -5.404 -2.711 5.851 1.00 . A A . 17 GLU CG 1 1
13 3140 1 1 17 GLU H H -5.486 -3.434 1.894 1.00 . A A . 17 GLU H 1 1
13 3141 1 1 17 GLU HA H -7.104 -2.108 3.775 1.00 . A A . 17 GLU HA 1 1
13 3142 1 1 17 GLU HB2 H -5.551 -4.058 4.218 1.00 . A A . 17 GLU HB2 1 1
13 3143 1 1 17 GLU HB3 H -4.210 -2.933 4.113 1.00 . A A . 17 GLU HB3 1 1
13 3144 1 1 17 GLU HG2 H -4.699 -3.310 6.407 1.00 . A A . 17 GLU HG2 1 1
13 3145 1 1 17 GLU HG3 H -5.178 -1.666 5.999 1.00 . A A . 17 GLU HG3 1 1
13 3146 1 1 17 GLU N N -6.040 -2.649 2.087 1.00 . A A . 17 GLU N 1 1
13 3147 1 1 17 GLU O O -6.034 0.167 4.136 1.00 . A A . 17 GLU O 1 1
13 3148 1 1 17 GLU OE1 O -7.689 -3.318 5.588 1.00 . A A . 17 GLU OE1 1 1
13 3149 1 1 17 GLU OE2 O -7.010 -2.872 7.620 1.00 . A A . 17 GLU OE2 1 1
13 3150 1 1 18 CYS C C -3.782 1.197 1.053 1.00 . A A . 18 CYS C 1 1
13 3151 1 1 18 CYS CA C -3.893 0.819 2.522 1.00 . A A . 18 CYS CA 1 1
13 3152 1 1 18 CYS CB C -2.493 0.876 3.128 1.00 . A A . 18 CYS CB 1 1
13 3153 1 1 18 CYS H H -4.149 -1.233 2.088 1.00 . A A . 18 CYS H 1 1
13 3154 1 1 18 CYS HA H -4.530 1.528 3.026 1.00 . A A . 18 CYS HA 1 1
13 3155 1 1 18 CYS HB2 H -1.793 0.647 2.349 1.00 . A A . 18 CYS HB2 1 1
13 3156 1 1 18 CYS HB3 H -2.307 1.873 3.463 1.00 . A A . 18 CYS HB3 1 1
13 3157 1 1 18 CYS N N -4.475 -0.502 2.660 1.00 . A A . 18 CYS N 1 1
13 3158 1 1 18 CYS O O -4.630 1.899 0.507 1.00 . A A . 18 CYS O 1 1
13 3159 1 1 18 CYS SG S -2.196 -0.253 4.502 1.00 . A A . 18 CYS SG 1 1
13 3160 1 1 19 ILE C C -3.277 0.465 -1.908 1.00 . A A . 19 ILE C 1 1
13 3161 1 1 19 ILE CA C -2.329 1.121 -0.910 1.00 . A A . 19 ILE CA 1 1
13 3162 1 1 19 ILE CB C -0.857 0.738 -1.195 1.00 . A A . 19 ILE CB 1 1
13 3163 1 1 19 ILE CD1 C -0.187 3.074 -0.564 1.00 . A A . 19 ILE CD1 1 1
13 3164 1 1 19 ILE CG1 C 0.067 1.609 -0.352 1.00 . A A . 19 ILE CG1 1 1
13 3165 1 1 19 ILE CG2 C -0.502 0.863 -2.664 1.00 . A A . 19 ILE CG2 1 1
13 3166 1 1 19 ILE H H -2.031 0.248 0.969 1.00 . A A . 19 ILE H 1 1
13 3167 1 1 19 ILE HA H -2.414 2.189 -0.999 1.00 . A A . 19 ILE HA 1 1
13 3168 1 1 19 ILE HB H -0.715 -0.286 -0.906 1.00 . A A . 19 ILE HB 1 1
13 3169 1 1 19 ILE HD11 H -0.843 3.191 -1.412 1.00 . A A . 19 ILE HD11 1 1
13 3170 1 1 19 ILE HD12 H 0.747 3.578 -0.750 1.00 . A A . 19 ILE HD12 1 1
13 3171 1 1 19 ILE HD13 H -0.657 3.486 0.315 1.00 . A A . 19 ILE HD13 1 1
13 3172 1 1 19 ILE HG12 H -0.089 1.389 0.694 1.00 . A A . 19 ILE HG12 1 1
13 3173 1 1 19 ILE HG13 H 1.093 1.404 -0.616 1.00 . A A . 19 ILE HG13 1 1
13 3174 1 1 19 ILE HG21 H -0.316 1.898 -2.903 1.00 . A A . 19 ILE HG21 1 1
13 3175 1 1 19 ILE HG22 H -1.319 0.491 -3.263 1.00 . A A . 19 ILE HG22 1 1
13 3176 1 1 19 ILE HG23 H 0.386 0.281 -2.861 1.00 . A A . 19 ILE HG23 1 1
13 3177 1 1 19 ILE N N -2.672 0.778 0.454 1.00 . A A . 19 ILE N 1 1
13 3178 1 1 19 ILE O O -4.181 1.118 -2.438 1.00 . A A . 19 ILE O 1 1
13 3179 1 1 20 TEE CA C -3.901 -1.461 -3.042 1.00 . A A . 20 TEE CA 1 1
13 3180 1 1 20 TEE CB C -3.560 -2.733 -3.526 1.00 . A A . 20 TEE CB 1 1
13 3181 1 1 20 TEE HA H -3.958 -1.601 -1.969 1.00 . A A . 20 TEE HA 1 1
13 3182 1 1 20 TEE HB2 H -4.204 -3.577 -3.326 1.00 . A A . 20 TEE HB2 1 1
13 3183 1 1 20 TEE HN1 H -2.328 -1.252 -1.691 1.00 . A A . 20 TEE HN1 1 1
13 3184 1 1 20 TEE N N -3.077 -0.817 -2.159 1.00 . A A . 20 TEE N 1 1
13 3185 1 1 20 TEE SG S -2.772 -4.339 -3.329 1.00 . A A . 20 TEE SG 1 1
14 3186 1 1 1 CYS C C 1.318 6.223 -2.479 1.00 . A A . 1 CYS C 1 1
14 3187 1 1 1 CYS CA C 1.209 7.529 -1.704 1.00 . A A . 1 CYS CA 1 1
14 3188 1 1 1 CYS CB C 0.411 8.555 -2.503 1.00 . A A . 1 CYS CB 1 1
14 3189 1 1 1 CYS H1 H 2.968 8.494 -2.251 1.00 . A A . 1 CYS H1 1 1
14 3190 1 1 1 CYS H2 H 3.163 7.312 -1.047 1.00 . A A . 1 CYS H2 1 1
14 3191 1 1 1 CYS H3 H 2.467 8.809 -0.659 1.00 . A A . 1 CYS H3 1 1
14 3192 1 1 1 CYS HA H 0.699 7.338 -0.772 1.00 . A A . 1 CYS HA 1 1
14 3193 1 1 1 CYS HB2 H 0.276 9.443 -1.902 1.00 . A A . 1 CYS HB2 1 1
14 3194 1 1 1 CYS HB3 H 0.962 8.812 -3.396 1.00 . A A . 1 CYS HB3 1 1
14 3195 1 1 1 CYS N N 2.544 8.074 -1.393 1.00 . A A . 1 CYS N 1 1
14 3196 1 1 1 CYS O O 2.271 6.034 -3.236 1.00 . A A . 1 CYS O 1 1
14 3197 1 1 1 CYS SG S -1.209 7.941 -2.986 1.00 . A A . 1 CYS SG 1 1
14 3198 1 1 2 ABA C C -0.339 5.383 0.102 1.00 . A A . 2 ABA C 1 1
14 3199 1 1 2 ABA CA C -0.764 5.471 -1.365 1.00 . A A . 2 ABA CA 1 1
14 3200 1 1 2 ABA CB C -1.517 6.801 -1.618 1.00 . A A . 2 ABA CB 1 1
14 3201 1 1 2 ABA CG C -2.777 6.558 -2.434 1.00 . A A . 2 ABA CG 1 1
14 3202 1 1 2 ABA H H 0.443 4.452 -2.771 1.00 . A A . 2 ABA H 1 1
14 3203 1 1 2 ABA HA H -1.453 4.663 -1.557 1.00 . A A . 2 ABA HA 1 1
14 3204 1 1 2 ABA HB3 H -1.809 7.212 -0.662 1.00 . A A . 2 ABA HB3 1 1
14 3205 1 1 2 ABA HG1 H -2.530 5.989 -3.317 1.00 . A A . 2 ABA HG1 1 1
14 3206 1 1 2 ABA HG2 H -3.205 7.506 -2.724 1.00 . A A . 2 ABA HG2 1 1
14 3207 1 1 2 ABA HG3 H -3.489 6.007 -1.837 1.00 . A A . 2 ABA HG3 1 1
14 3208 1 1 2 ABA N N 0.374 5.295 -2.278 1.00 . A A . 2 ABA N 1 1
14 3209 1 1 2 ABA O O 0.793 5.713 0.459 1.00 . A A . 2 ABA O 1 1
14 3210 1 1 3 PHE C C 0.084 3.562 2.510 1.00 . A A . 3 PHE C 1 1
14 3211 1 1 3 PHE CA C -0.951 4.670 2.341 1.00 . A A . 3 PHE CA 1 1
14 3212 1 1 3 PHE CB C -2.232 4.329 3.110 1.00 . A A . 3 PHE CB 1 1
14 3213 1 1 3 PHE CD1 C -1.460 5.444 5.227 1.00 . A A . 3 PHE CD1 1 1
14 3214 1 1 3 PHE CD2 C -2.538 3.325 5.393 1.00 . A A . 3 PHE CD2 1 1
14 3215 1 1 3 PHE CE1 C -1.313 5.480 6.601 1.00 . A A . 3 PHE CE1 1 1
14 3216 1 1 3 PHE CE2 C -2.394 3.355 6.766 1.00 . A A . 3 PHE CE2 1 1
14 3217 1 1 3 PHE CG C -2.071 4.364 4.607 1.00 . A A . 3 PHE CG 1 1
14 3218 1 1 3 PHE CZ C -1.783 4.435 7.372 1.00 . A A . 3 PHE CZ 1 1
14 3219 1 1 3 PHE H H -2.110 4.585 0.573 1.00 . A A . 3 PHE H 1 1
14 3220 1 1 3 PHE HA H -0.541 5.587 2.731 1.00 . A A . 3 PHE HA 1 1
14 3221 1 1 3 PHE HB2 H -3.000 5.039 2.845 1.00 . A A . 3 PHE HB2 1 1
14 3222 1 1 3 PHE HB3 H -2.556 3.336 2.835 1.00 . A A . 3 PHE HB3 1 1
14 3223 1 1 3 PHE HD1 H -1.092 6.263 4.625 1.00 . A A . 3 PHE HD1 1 1
14 3224 1 1 3 PHE HD2 H -3.012 2.478 4.920 1.00 . A A . 3 PHE HD2 1 1
14 3225 1 1 3 PHE HE1 H -0.833 6.325 7.073 1.00 . A A . 3 PHE HE1 1 1
14 3226 1 1 3 PHE HE2 H -2.761 2.536 7.365 1.00 . A A . 3 PHE HE2 1 1
14 3227 1 1 3 PHE HZ H -1.670 4.461 8.445 1.00 . A A . 3 PHE HZ 1 1
14 3228 1 1 3 PHE N N -1.238 4.874 0.931 1.00 . A A . 3 PHE N 1 1
14 3229 1 1 3 PHE O O -0.182 2.400 2.207 1.00 . A A . 3 PHE O 1 1
14 3230 1 1 4 ABA C C 3.691 3.693 2.522 1.00 . A A . 4 ABA C 1 1
14 3231 1 1 4 ABA CA C 2.404 3.025 3.014 1.00 . A A . 4 ABA CA 1 1
14 3232 1 1 4 ABA CB C 2.583 2.535 4.478 1.00 . A A . 4 ABA CB 1 1
14 3233 1 1 4 ABA CG C 1.893 3.464 5.472 1.00 . A A . 4 ABA CG 1 1
14 3234 1 1 4 ABA H H 1.452 4.915 3.018 1.00 . A A . 4 ABA H 1 1
14 3235 1 1 4 ABA HA H 2.202 2.159 2.383 1.00 . A A . 4 ABA HA 1 1
14 3236 1 1 4 ABA HB3 H 2.135 1.556 4.567 1.00 . A A . 4 ABA HB3 1 1
14 3237 1 1 4 ABA HG1 H 2.604 3.786 6.219 1.00 . A A . 4 ABA HG1 1 1
14 3238 1 1 4 ABA HG2 H 1.081 2.937 5.951 1.00 . A A . 4 ABA HG2 1 1
14 3239 1 1 4 ABA HG3 H 1.503 4.324 4.950 1.00 . A A . 4 ABA HG3 1 1
14 3240 1 1 4 ABA N N 1.289 3.954 2.889 1.00 . A A . 4 ABA N 1 1
14 3241 1 1 4 ABA O O 3.868 3.885 1.319 1.00 . A A . 4 ABA O 1 1
14 3242 1 1 5 LEU C C 6.704 4.105 2.244 1.00 . A A . 5 LEU C 1 1
14 3243 1 1 5 LEU CA C 5.728 4.920 3.103 1.00 . A A . 5 LEU CA 1 1
14 3244 1 1 5 LEU CB C 6.445 5.446 4.357 1.00 . A A . 5 LEU CB 1 1
14 3245 1 1 5 LEU CD1 C 4.526 6.219 5.787 1.00 . A A . 5 LEU CD1 1 1
14 3246 1 1 5 LEU CD2 C 6.765 7.305 6.002 1.00 . A A . 5 LEU CD2 1 1
14 3247 1 1 5 LEU CG C 5.785 6.641 5.049 1.00 . A A . 5 LEU CG 1 1
14 3248 1 1 5 LEU H H 4.282 4.061 4.399 1.00 . A A . 5 LEU H 1 1
14 3249 1 1 5 LEU HA H 5.405 5.771 2.519 1.00 . A A . 5 LEU HA 1 1
14 3250 1 1 5 LEU HB2 H 6.513 4.637 5.070 1.00 . A A . 5 LEU HB2 1 1
14 3251 1 1 5 LEU HB3 H 7.447 5.735 4.074 1.00 . A A . 5 LEU HB3 1 1
14 3252 1 1 5 LEU HD11 H 3.711 6.128 5.085 1.00 . A A . 5 LEU HD11 1 1
14 3253 1 1 5 LEU HD12 H 4.279 6.962 6.531 1.00 . A A . 5 LEU HD12 1 1
14 3254 1 1 5 LEU HD13 H 4.694 5.268 6.270 1.00 . A A . 5 LEU HD13 1 1
14 3255 1 1 5 LEU HD21 H 7.594 7.709 5.441 1.00 . A A . 5 LEU HD21 1 1
14 3256 1 1 5 LEU HD22 H 7.130 6.576 6.710 1.00 . A A . 5 LEU HD22 1 1
14 3257 1 1 5 LEU HD23 H 6.265 8.103 6.533 1.00 . A A . 5 LEU HD23 1 1
14 3258 1 1 5 LEU HG H 5.504 7.368 4.301 1.00 . A A . 5 LEU HG 1 1
14 3259 1 1 5 LEU N N 4.520 4.164 3.452 1.00 . A A . 5 LEU N 1 1
14 3260 1 1 5 LEU O O 7.124 4.579 1.188 1.00 . A A . 5 LEU O 1 1
14 3261 1 1 6 PRO C C 7.409 1.545 0.619 1.00 . A A . 6 PRO C 1 1
14 3262 1 1 6 PRO CA C 8.042 2.056 1.904 1.00 . A A . 6 PRO CA 1 1
14 3263 1 1 6 PRO CB C 8.368 0.882 2.842 1.00 . A A . 6 PRO CB 1 1
14 3264 1 1 6 PRO CD C 6.706 2.215 3.921 1.00 . A A . 6 PRO CD 1 1
14 3265 1 1 6 PRO CG C 7.850 1.283 4.180 1.00 . A A . 6 PRO CG 1 1
14 3266 1 1 6 PRO HA H 8.947 2.595 1.668 1.00 . A A . 6 PRO HA 1 1
14 3267 1 1 6 PRO HB2 H 7.877 -0.011 2.484 1.00 . A A . 6 PRO HB2 1 1
14 3268 1 1 6 PRO HB3 H 9.436 0.724 2.863 1.00 . A A . 6 PRO HB3 1 1
14 3269 1 1 6 PRO HD2 H 5.788 1.662 3.785 1.00 . A A . 6 PRO HD2 1 1
14 3270 1 1 6 PRO HD3 H 6.605 2.924 4.727 1.00 . A A . 6 PRO HD3 1 1
14 3271 1 1 6 PRO HG2 H 7.509 0.411 4.717 1.00 . A A . 6 PRO HG2 1 1
14 3272 1 1 6 PRO HG3 H 8.626 1.787 4.737 1.00 . A A . 6 PRO HG3 1 1
14 3273 1 1 6 PRO N N 7.108 2.885 2.675 1.00 . A A . 6 PRO N 1 1
14 3274 1 1 6 PRO O O 6.722 0.525 0.624 1.00 . A A . 6 PRO O 1 1
14 3275 1 1 7 GLY C C 7.981 1.290 -2.674 1.00 . A A . 7 GLY C 1 1
14 3276 1 1 7 GLY CA C 6.985 1.917 -1.724 1.00 . A A . 7 GLY CA 1 1
14 3277 1 1 7 GLY H H 8.109 3.119 -0.393 1.00 . A A . 7 GLY H 1 1
14 3278 1 1 7 GLY HA2 H 6.190 1.211 -1.536 1.00 . A A . 7 GLY HA2 1 1
14 3279 1 1 7 GLY HA3 H 6.570 2.800 -2.184 1.00 . A A . 7 GLY HA3 1 1
14 3280 1 1 7 GLY N N 7.592 2.285 -0.463 1.00 . A A . 7 GLY N 1 1
14 3281 1 1 7 GLY O O 8.539 1.963 -3.540 1.00 . A A . 7 GLY O 1 1
14 3282 1 1 8 GLY C C 9.035 -2.209 -3.147 1.00 . A A . 8 GLY C 1 1
14 3283 1 1 8 GLY CA C 9.119 -0.718 -3.368 1.00 . A A . 8 GLY CA 1 1
14 3284 1 1 8 GLY H H 7.725 -0.483 -1.802 1.00 . A A . 8 GLY H 1 1
14 3285 1 1 8 GLY HA2 H 8.888 -0.501 -4.401 1.00 . A A . 8 GLY HA2 1 1
14 3286 1 1 8 GLY HA3 H 10.125 -0.388 -3.153 1.00 . A A . 8 GLY HA3 1 1
14 3287 1 1 8 GLY N N 8.196 -0.004 -2.515 1.00 . A A . 8 GLY N 1 1
14 3288 1 1 8 GLY O O 9.746 -2.757 -2.304 1.00 . A A . 8 GLY O 1 1
14 3289 1 1 9 GLY C C 7.209 -4.541 -2.320 1.00 . A A . 9 GLY C 1 1
14 3290 1 1 9 GLY CA C 7.869 -4.267 -3.654 1.00 . A A . 9 GLY CA 1 1
14 3291 1 1 9 GLY H H 7.531 -2.338 -4.459 1.00 . A A . 9 GLY H 1 1
14 3292 1 1 9 GLY HA2 H 7.231 -4.631 -4.447 1.00 . A A . 9 GLY HA2 1 1
14 3293 1 1 9 GLY HA3 H 8.812 -4.790 -3.692 1.00 . A A . 9 GLY HA3 1 1
14 3294 1 1 9 GLY N N 8.107 -2.849 -3.847 1.00 . A A . 9 GLY N 1 1
14 3295 1 1 9 GLY O O 5.990 -4.417 -2.189 1.00 . A A . 9 GLY O 1 1
14 3296 1 1 10 GLY C C 7.024 -3.569 0.579 1.00 . A A . 10 GLY C 1 1
14 3297 1 1 10 GLY CA C 7.516 -4.898 0.044 1.00 . A A . 10 GLY CA 1 1
14 3298 1 1 10 GLY H H 8.996 -4.732 -1.457 1.00 . A A . 10 GLY H 1 1
14 3299 1 1 10 GLY HA2 H 6.701 -5.607 0.046 1.00 . A A . 10 GLY HA2 1 1
14 3300 1 1 10 GLY HA3 H 8.303 -5.265 0.685 1.00 . A A . 10 GLY HA3 1 1
14 3301 1 1 10 GLY N N 8.026 -4.769 -1.304 1.00 . A A . 10 GLY N 1 1
14 3302 1 1 10 GLY O O 7.827 -2.698 0.917 1.00 . A A . 10 GLY O 1 1
14 3303 1 1 11 VAL C C 4.312 -2.213 2.193 1.00 . A A . 11 VAL C 1 1
14 3304 1 1 11 VAL CA C 5.148 -2.085 0.946 1.00 . A A . 11 VAL CA 1 1
14 3305 1 1 11 VAL CB C 4.271 -1.437 -0.156 1.00 . A A . 11 VAL CB 1 1
14 3306 1 1 11 VAL CG1 C 5.086 -1.162 -1.410 1.00 . A A . 11 VAL CG1 1 1
14 3307 1 1 11 VAL CG2 C 3.074 -2.315 -0.492 1.00 . A A . 11 VAL CG2 1 1
14 3308 1 1 11 VAL H H 5.129 -4.057 0.181 1.00 . A A . 11 VAL H 1 1
14 3309 1 1 11 VAL HA H 5.962 -1.408 1.169 1.00 . A A . 11 VAL HA 1 1
14 3310 1 1 11 VAL HB H 3.896 -0.486 0.225 1.00 . A A . 11 VAL HB 1 1
14 3311 1 1 11 VAL HG11 H 4.467 -1.312 -2.281 1.00 . A A . 11 VAL HG11 1 1
14 3312 1 1 11 VAL HG12 H 5.928 -1.837 -1.447 1.00 . A A . 11 VAL HG12 1 1
14 3313 1 1 11 VAL HG13 H 5.442 -0.142 -1.392 1.00 . A A . 11 VAL HG13 1 1
14 3314 1 1 11 VAL HG21 H 2.672 -2.741 0.416 1.00 . A A . 11 VAL HG21 1 1
14 3315 1 1 11 VAL HG22 H 3.385 -3.108 -1.156 1.00 . A A . 11 VAL HG22 1 1
14 3316 1 1 11 VAL HG23 H 2.316 -1.717 -0.977 1.00 . A A . 11 VAL HG23 1 1
14 3317 1 1 11 VAL N N 5.718 -3.361 0.542 1.00 . A A . 11 VAL N 1 1
14 3318 1 1 11 VAL O O 3.635 -3.216 2.425 1.00 . A A . 11 VAL O 1 1
14 3319 1 1 12 CYS C C 1.964 -0.642 3.450 1.00 . A A . 12 CYS C 1 1
14 3320 1 1 12 CYS CA C 3.356 -0.941 3.995 1.00 . A A . 12 CYS CA 1 1
14 3321 1 1 12 CYS CB C 3.906 0.183 4.865 1.00 . A A . 12 CYS CB 1 1
14 3322 1 1 12 CYS H H 4.735 -0.325 2.559 1.00 . A A . 12 CYS H 1 1
14 3323 1 1 12 CYS HA H 3.332 -1.860 4.562 1.00 . A A . 12 CYS HA 1 1
14 3324 1 1 12 CYS HB2 H 4.549 -0.250 5.610 1.00 . A A . 12 CYS HB2 1 1
14 3325 1 1 12 CYS HB3 H 4.500 0.833 4.240 1.00 . A A . 12 CYS HB3 1 1
14 3326 1 1 12 CYS N N 4.258 -1.112 2.894 1.00 . A A . 12 CYS N 1 1
14 3327 1 1 12 CYS O O 1.840 0.029 2.426 1.00 . A A . 12 CYS O 1 1
14 3328 1 1 12 CYS SG S 2.669 1.194 5.686 1.00 . A A . 12 CYS SG 1 1
14 3329 1 1 13 ABA C C -0.459 -1.925 2.132 1.00 . A A . 13 ABA C 1 1
14 3330 1 1 13 ABA CA C -0.394 -1.170 3.457 1.00 . A A . 13 ABA CA 1 1
14 3331 1 1 13 ABA CB C -1.479 -1.715 4.416 1.00 . A A . 13 ABA CB 1 1
14 3332 1 1 13 ABA CG C -1.265 -1.184 5.829 1.00 . A A . 13 ABA CG 1 1
14 3333 1 1 13 ABA H H 1.115 -1.896 4.759 1.00 . A A . 13 ABA H 1 1
14 3334 1 1 13 ABA HA H -0.601 -0.120 3.258 1.00 . A A . 13 ABA HA 1 1
14 3335 1 1 13 ABA HB3 H -1.393 -2.792 4.443 1.00 . A A . 13 ABA HB3 1 1
14 3336 1 1 13 ABA HG1 H -0.819 -0.202 5.784 1.00 . A A . 13 ABA HG1 1 1
14 3337 1 1 13 ABA HG2 H -0.608 -1.852 6.368 1.00 . A A . 13 ABA HG2 1 1
14 3338 1 1 13 ABA HG3 H -2.215 -1.126 6.340 1.00 . A A . 13 ABA HG3 1 1
14 3339 1 1 13 ABA N N 0.944 -1.268 4.020 1.00 . A A . 13 ABA N 1 1
14 3340 1 1 13 ABA O O -0.822 -1.353 1.110 1.00 . A A . 13 ABA O 1 1
14 3341 1 1 14 LEU C C -1.283 -4.382 0.399 1.00 . A A . 14 LEU C 1 1
14 3342 1 1 14 LEU CA C 0.087 -3.967 0.937 1.00 . A A . 14 LEU CA 1 1
14 3343 1 1 14 LEU CB C 0.953 -5.195 1.230 1.00 . A A . 14 LEU CB 1 1
14 3344 1 1 14 LEU CD1 C 1.610 -5.743 -1.130 1.00 . A A . 14 LEU CD1 1 1
14 3345 1 1 14 LEU CD2 C 1.678 -7.513 0.649 1.00 . A A . 14 LEU CD2 1 1
14 3346 1 1 14 LEU CG C 0.967 -6.264 0.147 1.00 . A A . 14 LEU CG 1 1
14 3347 1 1 14 LEU H H 0.294 -3.565 2.986 1.00 . A A . 14 LEU H 1 1
14 3348 1 1 14 LEU HA H 0.582 -3.364 0.195 1.00 . A A . 14 LEU HA 1 1
14 3349 1 1 14 LEU HB2 H 1.969 -4.860 1.384 1.00 . A A . 14 LEU HB2 1 1
14 3350 1 1 14 LEU HB3 H 0.601 -5.646 2.146 1.00 . A A . 14 LEU HB3 1 1
14 3351 1 1 14 LEU HD11 H 1.132 -6.195 -1.985 1.00 . A A . 14 LEU HD11 1 1
14 3352 1 1 14 LEU HD12 H 2.662 -5.991 -1.133 1.00 . A A . 14 LEU HD12 1 1
14 3353 1 1 14 LEU HD13 H 1.494 -4.669 -1.179 1.00 . A A . 14 LEU HD13 1 1
14 3354 1 1 14 LEU HD21 H 1.782 -8.220 -0.161 1.00 . A A . 14 LEU HD21 1 1
14 3355 1 1 14 LEU HD22 H 1.100 -7.960 1.444 1.00 . A A . 14 LEU HD22 1 1
14 3356 1 1 14 LEU HD23 H 2.655 -7.247 1.023 1.00 . A A . 14 LEU HD23 1 1
14 3357 1 1 14 LEU HG H -0.053 -6.526 -0.074 1.00 . A A . 14 LEU HG 1 1
14 3358 1 1 14 LEU N N -0.027 -3.176 2.145 1.00 . A A . 14 LEU N 1 1
14 3359 1 1 14 LEU O O -1.820 -5.429 0.754 1.00 . A A . 14 LEU O 1 1
14 3360 1 1 15 ABA C C -4.199 -2.951 -0.554 1.00 . A A . 15 ABA C 1 1
14 3361 1 1 15 ABA CA C -3.102 -3.832 -1.127 1.00 . A A . 15 ABA CA 1 1
14 3362 1 1 15 ABA CB C -3.010 -3.597 -2.655 1.00 . A A . 15 ABA CB 1 1
14 3363 1 1 15 ABA CG C -2.123 -4.670 -3.269 1.00 . A A . 15 ABA CG 1 1
14 3364 1 1 15 ABA H H -1.352 -2.724 -0.701 1.00 . A A . 15 ABA H 1 1
14 3365 1 1 15 ABA HA H -3.349 -4.869 -0.954 1.00 . A A . 15 ABA HA 1 1
14 3366 1 1 15 ABA HB3 H -3.999 -3.698 -3.074 1.00 . A A . 15 ABA HB3 1 1
14 3367 1 1 15 ABA HG1 H -1.090 -4.455 -3.041 1.00 . A A . 15 ABA HG1 1 1
14 3368 1 1 15 ABA HG2 H -2.261 -4.683 -4.340 1.00 . A A . 15 ABA HG2 1 1
14 3369 1 1 15 ABA HG3 H -2.387 -5.634 -2.860 1.00 . A A . 15 ABA HG3 1 1
14 3370 1 1 15 ABA N N -1.828 -3.551 -0.478 1.00 . A A . 15 ABA N 1 1
14 3371 1 1 15 ABA O O -3.914 -1.896 0.019 1.00 . A A . 15 ABA O 1 1
14 3372 1 1 16 DHA C C -6.599 -2.226 1.080 1.00 . A A . 16 DHA C 1 1
14 3373 1 1 16 DHA CA C -6.502 -2.622 -0.272 1.00 . A A . 16 DHA CA 1 1
14 3374 1 1 16 DHA CB C -7.447 -2.242 -1.142 1.00 . A A . 16 DHA CB 1 1
14 3375 1 1 16 DHA H H -5.565 -4.244 -1.182 1.00 . A A . 16 DHA H 1 1
14 3376 1 1 16 DHA HB1 H -7.378 -2.538 -2.178 1.00 . A A . 16 DHA HB1 1 1
14 3377 1 1 16 DHA HB2 H -8.268 -1.629 -0.810 1.00 . A A . 16 DHA HB2 1 1
14 3378 1 1 16 DHA N N -5.450 -3.383 -0.716 1.00 . A A . 16 DHA N 1 1
14 3379 1 1 16 DHA O O -7.260 -1.241 1.405 1.00 . A A . 16 DHA O 1 1
14 3380 1 1 17 GLU C C -5.261 -1.166 3.516 1.00 . A A . 17 GLU C 1 1
14 3381 1 1 17 GLU CA C -5.804 -2.584 3.349 1.00 . A A . 17 GLU CA 1 1
14 3382 1 1 17 GLU CB C -4.904 -3.589 4.073 1.00 . A A . 17 GLU CB 1 1
14 3383 1 1 17 GLU CD C -3.903 -4.393 6.234 1.00 . A A . 17 GLU CD 1 1
14 3384 1 1 17 GLU CG C -4.782 -3.357 5.568 1.00 . A A . 17 GLU CG 1 1
14 3385 1 1 17 GLU H H -5.328 -3.677 1.605 1.00 . A A . 17 GLU H 1 1
14 3386 1 1 17 GLU HA H -6.801 -2.634 3.760 1.00 . A A . 17 GLU HA 1 1
14 3387 1 1 17 GLU HB2 H -5.300 -4.581 3.920 1.00 . A A . 17 GLU HB2 1 1
14 3388 1 1 17 GLU HB3 H -3.914 -3.539 3.644 1.00 . A A . 17 GLU HB3 1 1
14 3389 1 1 17 GLU HG2 H -4.352 -2.380 5.734 1.00 . A A . 17 GLU HG2 1 1
14 3390 1 1 17 GLU HG3 H -5.766 -3.399 6.009 1.00 . A A . 17 GLU HG3 1 1
14 3391 1 1 17 GLU N N -5.873 -2.926 1.940 1.00 . A A . 17 GLU N 1 1
14 3392 1 1 17 GLU O O -5.763 -0.394 4.333 1.00 . A A . 17 GLU O 1 1
14 3393 1 1 17 GLU OE1 O -4.252 -5.592 6.184 1.00 . A A . 17 GLU OE1 1 1
14 3394 1 1 17 GLU OE2 O -2.850 -4.019 6.789 1.00 . A A . 17 GLU OE2 1 1
14 3395 1 1 18 CYS C C -3.715 1.138 1.233 1.00 . A A . 18 CYS C 1 1
14 3396 1 1 18 CYS CA C -3.804 0.570 2.649 1.00 . A A . 18 CYS CA 1 1
14 3397 1 1 18 CYS CB C -2.417 0.618 3.278 1.00 . A A . 18 CYS CB 1 1
14 3398 1 1 18 CYS H H -4.050 -1.409 1.942 1.00 . A A . 18 CYS H 1 1
14 3399 1 1 18 CYS HA H -4.475 1.184 3.232 1.00 . A A . 18 CYS HA 1 1
14 3400 1 1 18 CYS HB2 H -1.731 0.116 2.618 1.00 . A A . 18 CYS HB2 1 1
14 3401 1 1 18 CYS HB3 H -2.113 1.645 3.365 1.00 . A A . 18 CYS HB3 1 1
14 3402 1 1 18 CYS N N -4.329 -0.786 2.649 1.00 . A A . 18 CYS N 1 1
14 3403 1 1 18 CYS O O -4.572 1.918 0.813 1.00 . A A . 18 CYS O 1 1
14 3404 1 1 18 CYS SG S -2.269 -0.163 4.895 1.00 . A A . 18 CYS SG 1 1
14 3405 1 1 19 ILE C C -3.289 1.284 -1.768 1.00 . A A . 19 ILE C 1 1
14 3406 1 1 19 ILE CA C -2.226 1.496 -0.681 1.00 . A A . 19 ILE CA 1 1
14 3407 1 1 19 ILE CB C -0.868 0.957 -1.195 1.00 . A A . 19 ILE CB 1 1
14 3408 1 1 19 ILE CD1 C 0.884 1.309 -2.999 1.00 . A A . 19 ILE CD1 1 1
14 3409 1 1 19 ILE CG1 C -0.316 1.877 -2.276 1.00 . A A . 19 ILE CG1 1 1
14 3410 1 1 19 ILE CG2 C -0.994 -0.469 -1.727 1.00 . A A . 19 ILE CG2 1 1
14 3411 1 1 19 ILE H H -1.881 0.373 1.054 1.00 . A A . 19 ILE H 1 1
14 3412 1 1 19 ILE HA H -2.110 2.547 -0.495 1.00 . A A . 19 ILE HA 1 1
14 3413 1 1 19 ILE HB H -0.179 0.941 -0.364 1.00 . A A . 19 ILE HB 1 1
14 3414 1 1 19 ILE HD11 H 1.294 2.057 -3.660 1.00 . A A . 19 ILE HD11 1 1
14 3415 1 1 19 ILE HD12 H 0.579 0.446 -3.573 1.00 . A A . 19 ILE HD12 1 1
14 3416 1 1 19 ILE HD13 H 1.632 1.016 -2.277 1.00 . A A . 19 ILE HD13 1 1
14 3417 1 1 19 ILE HG12 H -1.086 2.068 -3.009 1.00 . A A . 19 ILE HG12 1 1
14 3418 1 1 19 ILE HG13 H -0.021 2.807 -1.818 1.00 . A A . 19 ILE HG13 1 1
14 3419 1 1 19 ILE HG21 H -0.848 -0.469 -2.797 1.00 . A A . 19 ILE HG21 1 1
14 3420 1 1 19 ILE HG22 H -1.977 -0.854 -1.497 1.00 . A A . 19 ILE HG22 1 1
14 3421 1 1 19 ILE HG23 H -0.245 -1.093 -1.262 1.00 . A A . 19 ILE HG23 1 1
14 3422 1 1 19 ILE N N -2.578 0.876 0.586 1.00 . A A . 19 ILE N 1 1
14 3423 1 1 19 ILE O O -3.414 2.088 -2.695 1.00 . A A . 19 ILE O 1 1
14 3424 1 1 20 TEE CA C -4.872 -0.152 -2.693 1.00 . A A . 20 TEE CA 1 1
14 3425 1 1 20 TEE CB C -4.836 -1.436 -3.272 1.00 . A A . 20 TEE CB 1 1
14 3426 1 1 20 TEE HA H -4.590 -1.099 -2.259 1.00 . A A . 20 TEE HA 1 1
14 3427 1 1 20 TEE HB2 H -5.223 -2.285 -2.727 1.00 . A A . 20 TEE HB2 1 1
14 3428 1 1 20 TEE HN1 H -3.777 -0.443 -0.950 1.00 . A A . 20 TEE HN1 1 1
14 3429 1 1 20 TEE N N -3.981 0.158 -1.703 1.00 . A A . 20 TEE N 1 1
14 3430 1 1 20 TEE SG S -4.107 -2.948 -3.942 1.00 . A A . 20 TEE SG 1 1
15 3431 1 1 1 CYS C C 4.490 7.055 -0.959 1.00 . A A . 1 CYS C 1 1
15 3432 1 1 1 CYS CA C 4.110 8.268 -0.118 1.00 . A A . 1 CYS CA 1 1
15 3433 1 1 1 CYS CB C 3.674 9.432 -1.010 1.00 . A A . 1 CYS CB 1 1
15 3434 1 1 1 CYS H1 H 5.791 7.865 1.044 1.00 . A A . 1 CYS H1 1 1
15 3435 1 1 1 CYS H2 H 4.882 9.194 1.579 1.00 . A A . 1 CYS H2 1 1
15 3436 1 1 1 CYS H3 H 5.870 9.339 0.208 1.00 . A A . 1 CYS H3 1 1
15 3437 1 1 1 CYS HA H 3.288 7.995 0.528 1.00 . A A . 1 CYS HA 1 1
15 3438 1 1 1 CYS HB2 H 3.342 10.248 -0.384 1.00 . A A . 1 CYS HB2 1 1
15 3439 1 1 1 CYS HB3 H 4.515 9.758 -1.601 1.00 . A A . 1 CYS HB3 1 1
15 3440 1 1 1 CYS N N 5.239 8.695 0.735 1.00 . A A . 1 CYS N 1 1
15 3441 1 1 1 CYS O O 5.654 6.900 -1.327 1.00 . A A . 1 CYS O 1 1
15 3442 1 1 1 CYS SG S 2.332 8.994 -2.129 1.00 . A A . 1 CYS SG 1 1
15 3443 1 1 2 ABA C C 1.964 6.061 0.697 1.00 . A A . 2 ABA C 1 1
15 3444 1 1 2 ABA CA C 2.133 6.298 -0.800 1.00 . A A . 2 ABA CA 1 1
15 3445 1 1 2 ABA CB C 1.542 7.677 -1.177 1.00 . A A . 2 ABA CB 1 1
15 3446 1 1 2 ABA CG C 0.842 7.601 -2.525 1.00 . A A . 2 ABA CG 1 1
15 3447 1 1 2 ABA H H 3.772 5.366 -1.761 1.00 . A A . 2 ABA H 1 1
15 3448 1 1 2 ABA HA H 1.562 5.546 -1.320 1.00 . A A . 2 ABA HA 1 1
15 3449 1 1 2 ABA HB3 H 0.807 7.946 -0.433 1.00 . A A . 2 ABA HB3 1 1
15 3450 1 1 2 ABA HG1 H 0.378 8.549 -2.746 1.00 . A A . 2 ABA HG1 1 1
15 3451 1 1 2 ABA HG2 H 0.086 6.829 -2.495 1.00 . A A . 2 ABA HG2 1 1
15 3452 1 1 2 ABA HG3 H 1.566 7.367 -3.291 1.00 . A A . 2 ABA HG3 1 1
15 3453 1 1 2 ABA N N 3.530 6.159 -1.233 1.00 . A A . 2 ABA N 1 1
15 3454 1 1 2 ABA O O 2.879 6.299 1.489 1.00 . A A . 2 ABA O 1 1
15 3455 1 1 3 PHE C C 1.416 4.045 2.898 1.00 . A A . 3 PHE C 1 1
15 3456 1 1 3 PHE CA C 0.533 5.205 2.461 1.00 . A A . 3 PHE CA 1 1
15 3457 1 1 3 PHE CB C -0.943 4.850 2.654 1.00 . A A . 3 PHE CB 1 1
15 3458 1 1 3 PHE CD1 C -1.079 5.785 4.979 1.00 . A A . 3 PHE CD1 1 1
15 3459 1 1 3 PHE CD2 C -2.035 3.644 4.565 1.00 . A A . 3 PHE CD2 1 1
15 3460 1 1 3 PHE CE1 C -1.455 5.702 6.305 1.00 . A A . 3 PHE CE1 1 1
15 3461 1 1 3 PHE CE2 C -2.414 3.553 5.889 1.00 . A A . 3 PHE CE2 1 1
15 3462 1 1 3 PHE CG C -1.360 4.758 4.095 1.00 . A A . 3 PHE CG 1 1
15 3463 1 1 3 PHE CZ C -2.136 4.590 6.757 1.00 . A A . 3 PHE CZ 1 1
15 3464 1 1 3 PHE H H 0.133 5.318 0.387 1.00 . A A . 3 PHE H 1 1
15 3465 1 1 3 PHE HA H 0.770 6.071 3.062 1.00 . A A . 3 PHE HA 1 1
15 3466 1 1 3 PHE HB2 H -1.554 5.604 2.178 1.00 . A A . 3 PHE HB2 1 1
15 3467 1 1 3 PHE HB3 H -1.138 3.894 2.191 1.00 . A A . 3 PHE HB3 1 1
15 3468 1 1 3 PHE HD1 H -0.554 6.661 4.622 1.00 . A A . 3 PHE HD1 1 1
15 3469 1 1 3 PHE HD2 H -2.258 2.835 3.884 1.00 . A A . 3 PHE HD2 1 1
15 3470 1 1 3 PHE HE1 H -1.231 6.512 6.983 1.00 . A A . 3 PHE HE1 1 1
15 3471 1 1 3 PHE HE2 H -2.939 2.678 6.243 1.00 . A A . 3 PHE HE2 1 1
15 3472 1 1 3 PHE HZ H -2.440 4.527 7.792 1.00 . A A . 3 PHE HZ 1 1
15 3473 1 1 3 PHE N N 0.806 5.537 1.072 1.00 . A A . 3 PHE N 1 1
15 3474 1 1 3 PHE O O 1.316 2.943 2.364 1.00 . A A . 3 PHE O 1 1
15 3475 1 1 4 ABA C C 4.745 3.960 4.063 1.00 . A A . 4 ABA C 1 1
15 3476 1 1 4 ABA CA C 3.343 3.363 4.211 1.00 . A A . 4 ABA CA 1 1
15 3477 1 1 4 ABA CB C 3.101 2.922 5.682 1.00 . A A . 4 ABA CB 1 1
15 3478 1 1 4 ABA CG C 1.614 2.780 5.989 1.00 . A A . 4 ABA CG 1 1
15 3479 1 1 4 ABA H H 2.448 5.268 4.070 1.00 . A A . 4 ABA H 1 1
15 3480 1 1 4 ABA HA H 3.263 2.492 3.565 1.00 . A A . 4 ABA HA 1 1
15 3481 1 1 4 ABA HB3 H 3.568 1.961 5.831 1.00 . A A . 4 ABA HB3 1 1
15 3482 1 1 4 ABA HG1 H 1.490 2.247 6.919 1.00 . A A . 4 ABA HG1 1 1
15 3483 1 1 4 ABA HG2 H 1.130 2.232 5.191 1.00 . A A . 4 ABA HG2 1 1
15 3484 1 1 4 ABA HG3 H 1.170 3.761 6.075 1.00 . A A . 4 ABA HG3 1 1
15 3485 1 1 4 ABA N N 2.357 4.339 3.773 1.00 . A A . 4 ABA N 1 1
15 3486 1 1 4 ABA O O 5.003 4.709 3.119 1.00 . A A . 4 ABA O 1 1
15 3487 1 1 5 LEU C C 7.850 3.674 3.903 1.00 . A A . 5 LEU C 1 1
15 3488 1 1 5 LEU CA C 6.961 4.282 5.000 1.00 . A A . 5 LEU CA 1 1
15 3489 1 1 5 LEU CB C 7.630 4.156 6.371 1.00 . A A . 5 LEU CB 1 1
15 3490 1 1 5 LEU CD1 C 7.624 4.637 8.827 1.00 . A A . 5 LEU CD1 1 1
15 3491 1 1 5 LEU CD2 C 6.795 6.362 7.227 1.00 . A A . 5 LEU CD2 1 1
15 3492 1 1 5 LEU CG C 6.904 4.873 7.512 1.00 . A A . 5 LEU CG 1 1
15 3493 1 1 5 LEU H H 5.360 3.133 5.783 1.00 . A A . 5 LEU H 1 1
15 3494 1 1 5 LEU HA H 6.841 5.332 4.782 1.00 . A A . 5 LEU HA 1 1
15 3495 1 1 5 LEU HB2 H 7.700 3.106 6.618 1.00 . A A . 5 LEU HB2 1 1
15 3496 1 1 5 LEU HB3 H 8.629 4.559 6.299 1.00 . A A . 5 LEU HB3 1 1
15 3497 1 1 5 LEU HD11 H 8.232 3.747 8.748 1.00 . A A . 5 LEU HD11 1 1
15 3498 1 1 5 LEU HD12 H 6.899 4.507 9.617 1.00 . A A . 5 LEU HD12 1 1
15 3499 1 1 5 LEU HD13 H 8.256 5.484 9.049 1.00 . A A . 5 LEU HD13 1 1
15 3500 1 1 5 LEU HD21 H 7.747 6.732 6.874 1.00 . A A . 5 LEU HD21 1 1
15 3501 1 1 5 LEU HD22 H 6.522 6.885 8.132 1.00 . A A . 5 LEU HD22 1 1
15 3502 1 1 5 LEU HD23 H 6.041 6.531 6.473 1.00 . A A . 5 LEU HD23 1 1
15 3503 1 1 5 LEU HG H 5.903 4.474 7.602 1.00 . A A . 5 LEU HG 1 1
15 3504 1 1 5 LEU N N 5.624 3.695 5.021 1.00 . A A . 5 LEU N 1 1
15 3505 1 1 5 LEU O O 8.418 4.416 3.100 1.00 . A A . 5 LEU O 1 1
15 3506 1 1 6 PRO C C 8.369 1.956 1.418 1.00 . A A . 6 PRO C 1 1
15 3507 1 1 6 PRO CA C 8.857 1.685 2.838 1.00 . A A . 6 PRO CA 1 1
15 3508 1 1 6 PRO CB C 8.755 0.187 3.160 1.00 . A A . 6 PRO CB 1 1
15 3509 1 1 6 PRO CD C 7.409 1.336 4.759 1.00 . A A . 6 PRO CD 1 1
15 3510 1 1 6 PRO CG C 7.525 0.053 3.988 1.00 . A A . 6 PRO CG 1 1
15 3511 1 1 6 PRO HA H 9.887 2.004 2.925 1.00 . A A . 6 PRO HA 1 1
15 3512 1 1 6 PRO HB2 H 8.672 -0.376 2.242 1.00 . A A . 6 PRO HB2 1 1
15 3513 1 1 6 PRO HB3 H 9.632 -0.128 3.704 1.00 . A A . 6 PRO HB3 1 1
15 3514 1 1 6 PRO HD2 H 6.371 1.568 4.953 1.00 . A A . 6 PRO HD2 1 1
15 3515 1 1 6 PRO HD3 H 7.964 1.277 5.685 1.00 . A A . 6 PRO HD3 1 1
15 3516 1 1 6 PRO HG2 H 6.666 -0.083 3.348 1.00 . A A . 6 PRO HG2 1 1
15 3517 1 1 6 PRO HG3 H 7.627 -0.784 4.663 1.00 . A A . 6 PRO HG3 1 1
15 3518 1 1 6 PRO N N 8.010 2.329 3.849 1.00 . A A . 6 PRO N 1 1
15 3519 1 1 6 PRO O O 7.164 2.049 1.174 1.00 . A A . 6 PRO O 1 1
15 3520 1 1 7 GLY C C 9.649 1.446 -1.854 1.00 . A A . 7 GLY C 1 1
15 3521 1 1 7 GLY CA C 8.963 2.386 -0.883 1.00 . A A . 7 GLY CA 1 1
15 3522 1 1 7 GLY H H 10.254 2.034 0.759 1.00 . A A . 7 GLY H 1 1
15 3523 1 1 7 GLY HA2 H 7.894 2.292 -1.000 1.00 . A A . 7 GLY HA2 1 1
15 3524 1 1 7 GLY HA3 H 9.252 3.400 -1.115 1.00 . A A . 7 GLY HA3 1 1
15 3525 1 1 7 GLY N N 9.308 2.105 0.496 1.00 . A A . 7 GLY N 1 1
15 3526 1 1 7 GLY O O 10.768 1.709 -2.294 1.00 . A A . 7 GLY O 1 1
15 3527 1 1 8 GLY C C 8.661 -1.828 -3.240 1.00 . A A . 8 GLY C 1 1
15 3528 1 1 8 GLY CA C 9.550 -0.614 -3.105 1.00 . A A . 8 GLY CA 1 1
15 3529 1 1 8 GLY H H 8.101 0.189 -1.794 1.00 . A A . 8 GLY H 1 1
15 3530 1 1 8 GLY HA2 H 9.663 -0.146 -4.072 1.00 . A A . 8 GLY HA2 1 1
15 3531 1 1 8 GLY HA3 H 10.520 -0.927 -2.749 1.00 . A A . 8 GLY HA3 1 1
15 3532 1 1 8 GLY N N 8.990 0.347 -2.177 1.00 . A A . 8 GLY N 1 1
15 3533 1 1 8 GLY O O 7.469 -1.755 -2.945 1.00 . A A . 8 GLY O 1 1
15 3534 1 1 9 GLY C C 8.190 -4.768 -2.371 1.00 . A A . 9 GLY C 1 1
15 3535 1 1 9 GLY CA C 8.490 -4.184 -3.733 1.00 . A A . 9 GLY CA 1 1
15 3536 1 1 9 GLY H H 10.210 -2.949 -3.827 1.00 . A A . 9 GLY H 1 1
15 3537 1 1 9 GLY HA2 H 7.559 -3.987 -4.244 1.00 . A A . 9 GLY HA2 1 1
15 3538 1 1 9 GLY HA3 H 9.058 -4.899 -4.302 1.00 . A A . 9 GLY HA3 1 1
15 3539 1 1 9 GLY N N 9.244 -2.949 -3.634 1.00 . A A . 9 GLY N 1 1
15 3540 1 1 9 GLY O O 9.042 -5.419 -1.765 1.00 . A A . 9 GLY O 1 1
15 3541 1 1 10 GLY C C 6.559 -3.675 0.423 1.00 . A A . 10 GLY C 1 1
15 3542 1 1 10 GLY CA C 6.679 -4.860 -0.502 1.00 . A A . 10 GLY CA 1 1
15 3543 1 1 10 GLY H H 6.428 -3.832 -2.329 1.00 . A A . 10 GLY H 1 1
15 3544 1 1 10 GLY HA2 H 5.734 -5.386 -0.530 1.00 . A A . 10 GLY HA2 1 1
15 3545 1 1 10 GLY HA3 H 7.444 -5.524 -0.129 1.00 . A A . 10 GLY HA3 1 1
15 3546 1 1 10 GLY N N 7.027 -4.440 -1.839 1.00 . A A . 10 GLY N 1 1
15 3547 1 1 10 GLY O O 7.499 -3.338 1.143 1.00 . A A . 10 GLY O 1 1
15 3548 1 1 11 VAL C C 4.215 -1.941 2.191 1.00 . A A . 11 VAL C 1 1
15 3549 1 1 11 VAL CA C 5.238 -1.761 1.096 1.00 . A A . 11 VAL CA 1 1
15 3550 1 1 11 VAL CB C 4.779 -0.576 0.215 1.00 . A A . 11 VAL CB 1 1
15 3551 1 1 11 VAL CG1 C 5.885 -0.155 -0.735 1.00 . A A . 11 VAL CG1 1 1
15 3552 1 1 11 VAL CG2 C 3.515 -0.936 -0.558 1.00 . A A . 11 VAL CG2 1 1
15 3553 1 1 11 VAL H H 4.771 -3.244 -0.338 1.00 . A A . 11 VAL H 1 1
15 3554 1 1 11 VAL HA H 6.176 -1.489 1.559 1.00 . A A . 11 VAL HA 1 1
15 3555 1 1 11 VAL HB H 4.550 0.264 0.866 1.00 . A A . 11 VAL HB 1 1
15 3556 1 1 11 VAL HG11 H 6.387 -1.033 -1.114 1.00 . A A . 11 VAL HG11 1 1
15 3557 1 1 11 VAL HG12 H 6.593 0.468 -0.209 1.00 . A A . 11 VAL HG12 1 1
15 3558 1 1 11 VAL HG13 H 5.458 0.398 -1.559 1.00 . A A . 11 VAL HG13 1 1
15 3559 1 1 11 VAL HG21 H 3.781 -1.500 -1.440 1.00 . A A . 11 VAL HG21 1 1
15 3560 1 1 11 VAL HG22 H 3.002 -0.031 -0.850 1.00 . A A . 11 VAL HG22 1 1
15 3561 1 1 11 VAL HG23 H 2.866 -1.530 0.068 1.00 . A A . 11 VAL HG23 1 1
15 3562 1 1 11 VAL N N 5.443 -2.977 0.326 1.00 . A A . 11 VAL N 1 1
15 3563 1 1 11 VAL O O 3.402 -2.868 2.181 1.00 . A A . 11 VAL O 1 1
15 3564 1 1 12 CYS C C 1.871 -0.499 3.452 1.00 . A A . 12 CYS C 1 1
15 3565 1 1 12 CYS CA C 3.224 -0.808 4.088 1.00 . A A . 12 CYS CA 1 1
15 3566 1 1 12 CYS CB C 3.701 0.328 4.983 1.00 . A A . 12 CYS CB 1 1
15 3567 1 1 12 CYS H H 4.840 -0.222 2.913 1.00 . A A . 12 CYS H 1 1
15 3568 1 1 12 CYS HA H 3.164 -1.725 4.656 1.00 . A A . 12 CYS HA 1 1
15 3569 1 1 12 CYS HB2 H 4.356 -0.088 5.731 1.00 . A A . 12 CYS HB2 1 1
15 3570 1 1 12 CYS HB3 H 4.271 1.018 4.379 1.00 . A A . 12 CYS HB3 1 1
15 3571 1 1 12 CYS N N 4.213 -0.957 3.055 1.00 . A A . 12 CYS N 1 1
15 3572 1 1 12 CYS O O 1.814 0.178 2.428 1.00 . A A . 12 CYS O 1 1
15 3573 1 1 12 CYS SG S 2.408 1.259 5.816 1.00 . A A . 12 CYS SG 1 1
15 3574 1 1 13 ABA C C -0.545 -1.719 2.030 1.00 . A A . 13 ABA C 1 1
15 3575 1 1 13 ABA CA C -0.502 -0.957 3.345 1.00 . A A . 13 ABA CA 1 1
15 3576 1 1 13 ABA CB C -1.647 -1.466 4.251 1.00 . A A . 13 ABA CB 1 1
15 3577 1 1 13 ABA CG C -1.424 -1.042 5.695 1.00 . A A . 13 ABA CG 1 1
15 3578 1 1 13 ABA H H 0.921 -1.733 4.713 1.00 . A A . 13 ABA H 1 1
15 3579 1 1 13 ABA HA H -0.658 0.098 3.139 1.00 . A A . 13 ABA HA 1 1
15 3580 1 1 13 ABA HB3 H -1.655 -2.545 4.214 1.00 . A A . 13 ABA HB3 1 1
15 3581 1 1 13 ABA HG1 H -0.564 -1.561 6.096 1.00 . A A . 13 ABA HG1 1 1
15 3582 1 1 13 ABA HG2 H -2.298 -1.288 6.281 1.00 . A A . 13 ABA HG2 1 1
15 3583 1 1 13 ABA HG3 H -1.250 0.024 5.736 1.00 . A A . 13 ABA HG3 1 1
15 3584 1 1 13 ABA N N 0.806 -1.101 3.967 1.00 . A A . 13 ABA N 1 1
15 3585 1 1 13 ABA O O -1.068 -1.225 1.031 1.00 . A A . 13 ABA O 1 1
15 3586 1 1 14 LEU C C -1.200 -4.311 0.439 1.00 . A A . 14 LEU C 1 1
15 3587 1 1 14 LEU CA C 0.148 -3.707 0.832 1.00 . A A . 14 LEU CA 1 1
15 3588 1 1 14 LEU CB C 1.178 -4.813 1.059 1.00 . A A . 14 LEU CB 1 1
15 3589 1 1 14 LEU CD1 C 1.726 -5.336 -1.333 1.00 . A A . 14 LEU CD1 1 1
15 3590 1 1 14 LEU CD2 C 2.050 -7.075 0.445 1.00 . A A . 14 LEU CD2 1 1
15 3591 1 1 14 LEU CG C 1.210 -5.894 -0.014 1.00 . A A . 14 LEU CG 1 1
15 3592 1 1 14 LEU H H 0.456 -3.234 2.848 1.00 . A A . 14 LEU H 1 1
15 3593 1 1 14 LEU HA H 0.491 -3.068 0.032 1.00 . A A . 14 LEU HA 1 1
15 3594 1 1 14 LEU HB2 H 2.159 -4.359 1.112 1.00 . A A . 14 LEU HB2 1 1
15 3595 1 1 14 LEU HB3 H 0.967 -5.284 2.007 1.00 . A A . 14 LEU HB3 1 1
15 3596 1 1 14 LEU HD11 H 1.281 -4.368 -1.513 1.00 . A A . 14 LEU HD11 1 1
15 3597 1 1 14 LEU HD12 H 1.462 -6.009 -2.137 1.00 . A A . 14 LEU HD12 1 1
15 3598 1 1 14 LEU HD13 H 2.800 -5.236 -1.287 1.00 . A A . 14 LEU HD13 1 1
15 3599 1 1 14 LEU HD21 H 1.400 -7.871 0.776 1.00 . A A . 14 LEU HD21 1 1
15 3600 1 1 14 LEU HD22 H 2.689 -6.768 1.260 1.00 . A A . 14 LEU HD22 1 1
15 3601 1 1 14 LEU HD23 H 2.656 -7.425 -0.376 1.00 . A A . 14 LEU HD23 1 1
15 3602 1 1 14 LEU HG H 0.202 -6.238 -0.169 1.00 . A A . 14 LEU HG 1 1
15 3603 1 1 14 LEU N N 0.043 -2.903 2.027 1.00 . A A . 14 LEU N 1 1
15 3604 1 1 14 LEU O O -1.585 -5.380 0.918 1.00 . A A . 14 LEU O 1 1
15 3605 1 1 15 ABA C C -4.326 -3.256 -0.544 1.00 . A A . 15 ABA C 1 1
15 3606 1 1 15 ABA CA C -3.162 -4.128 -0.974 1.00 . A A . 15 ABA CA 1 1
15 3607 1 1 15 ABA CB C -3.113 -4.236 -2.514 1.00 . A A . 15 ABA CB 1 1
15 3608 1 1 15 ABA CG C -2.339 -5.490 -2.886 1.00 . A A . 15 ABA CG 1 1
15 3609 1 1 15 ABA H H -1.565 -2.758 -0.759 1.00 . A A . 15 ABA H 1 1
15 3610 1 1 15 ABA HA H -3.314 -5.121 -0.575 1.00 . A A . 15 ABA HA 1 1
15 3611 1 1 15 ABA HB3 H -4.125 -4.344 -2.879 1.00 . A A . 15 ABA HB3 1 1
15 3612 1 1 15 ABA HG1 H -3.023 -6.232 -3.271 1.00 . A A . 15 ABA HG1 1 1
15 3613 1 1 15 ABA HG2 H -1.841 -5.880 -2.011 1.00 . A A . 15 ABA HG2 1 1
15 3614 1 1 15 ABA HG3 H -1.606 -5.250 -3.642 1.00 . A A . 15 ABA HG3 1 1
15 3615 1 1 15 ABA N N -1.905 -3.625 -0.447 1.00 . A A . 15 ABA N 1 1
15 3616 1 1 15 ABA O O -4.124 -2.155 -0.025 1.00 . A A . 15 ABA O 1 1
15 3617 1 1 16 DHA C C -6.786 -2.609 1.029 1.00 . A A . 16 DHA C 1 1
15 3618 1 1 16 DHA CA C -6.653 -3.104 -0.289 1.00 . A A . 16 DHA CA 1 1
15 3619 1 1 16 DHA CB C -7.630 -2.895 -1.173 1.00 . A A . 16 DHA CB 1 1
15 3620 1 1 16 DHA H H -5.569 -4.706 -1.053 1.00 . A A . 16 DHA H 1 1
15 3621 1 1 16 DHA HB1 H -7.535 -3.271 -2.181 1.00 . A A . 16 DHA HB1 1 1
15 3622 1 1 16 DHA HB2 H -8.514 -2.349 -0.880 1.00 . A A . 16 DHA HB2 1 1
15 3623 1 1 16 DHA N N -5.534 -3.794 -0.678 1.00 . A A . 16 DHA N 1 1
15 3624 1 1 16 DHA O O -7.561 -1.686 1.281 1.00 . A A . 16 DHA O 1 1
15 3625 1 1 17 GLU C C -5.548 -1.246 3.391 1.00 . A A . 17 GLU C 1 1
15 3626 1 1 17 GLU CA C -5.964 -2.716 3.320 1.00 . A A . 17 GLU CA 1 1
15 3627 1 1 17 GLU CB C -4.983 -3.574 4.123 1.00 . A A . 17 GLU CB 1 1
15 3628 1 1 17 GLU CD C -6.298 -3.752 6.274 1.00 . A A . 17 GLU CD 1 1
15 3629 1 1 17 GLU CG C -5.005 -3.313 5.619 1.00 . A A . 17 GLU CG 1 1
15 3630 1 1 17 GLU H H -5.392 -3.895 1.660 1.00 . A A . 17 GLU H 1 1
15 3631 1 1 17 GLU HA H -6.956 -2.824 3.733 1.00 . A A . 17 GLU HA 1 1
15 3632 1 1 17 GLU HB2 H -5.219 -4.616 3.961 1.00 . A A . 17 GLU HB2 1 1
15 3633 1 1 17 GLU HB3 H -3.982 -3.384 3.764 1.00 . A A . 17 GLU HB3 1 1
15 3634 1 1 17 GLU HG2 H -4.189 -3.849 6.078 1.00 . A A . 17 GLU HG2 1 1
15 3635 1 1 17 GLU HG3 H -4.877 -2.253 5.790 1.00 . A A . 17 GLU HG3 1 1
15 3636 1 1 17 GLU N N -5.997 -3.169 1.938 1.00 . A A . 17 GLU N 1 1
15 3637 1 1 17 GLU O O -6.016 -0.497 4.251 1.00 . A A . 17 GLU O 1 1
15 3638 1 1 17 GLU OE1 O -7.351 -3.131 6.014 1.00 . A A . 17 GLU OE1 1 1
15 3639 1 1 17 GLU OE2 O -6.269 -4.732 7.047 1.00 . A A . 17 GLU OE2 1 1
15 3640 1 1 18 CYS C C -4.079 1.041 0.973 1.00 . A A . 18 CYS C 1 1
15 3641 1 1 18 CYS CA C -4.242 0.551 2.407 1.00 . A A . 18 CYS CA 1 1
15 3642 1 1 18 CYS CB C -2.893 0.701 3.089 1.00 . A A . 18 CYS CB 1 1
15 3643 1 1 18 CYS H H -4.401 -1.460 1.765 1.00 . A A . 18 CYS H 1 1
15 3644 1 1 18 CYS HA H -4.966 1.168 2.913 1.00 . A A . 18 CYS HA 1 1
15 3645 1 1 18 CYS HB2 H -2.155 0.277 2.430 1.00 . A A . 18 CYS HB2 1 1
15 3646 1 1 18 CYS HB3 H -2.680 1.749 3.209 1.00 . A A . 18 CYS HB3 1 1
15 3647 1 1 18 CYS N N -4.698 -0.829 2.458 1.00 . A A . 18 CYS N 1 1
15 3648 1 1 18 CYS O O -4.895 1.817 0.473 1.00 . A A . 18 CYS O 1 1
15 3649 1 1 18 CYS SG S -2.732 -0.097 4.697 1.00 . A A . 18 CYS SG 1 1
15 3650 1 1 19 ILE C C -3.383 0.916 -1.996 1.00 . A A . 19 ILE C 1 1
15 3651 1 1 19 ILE CA C -2.482 1.363 -0.841 1.00 . A A . 19 ILE CA 1 1
15 3652 1 1 19 ILE CB C -0.987 1.048 -1.144 1.00 . A A . 19 ILE CB 1 1
15 3653 1 1 19 ILE CD1 C -0.706 2.325 -3.341 1.00 . A A . 19 ILE CD1 1 1
15 3654 1 1 19 ILE CG1 C -0.314 2.209 -1.888 1.00 . A A . 19 ILE CG1 1 1
15 3655 1 1 19 ILE CG2 C -0.823 -0.250 -1.928 1.00 . A A . 19 ILE CG2 1 1
15 3656 1 1 19 ILE H H -2.235 0.259 0.936 1.00 . A A . 19 ILE H 1 1
15 3657 1 1 19 ILE HA H -2.571 2.426 -0.713 1.00 . A A . 19 ILE HA 1 1
15 3658 1 1 19 ILE HB H -0.488 0.918 -0.205 1.00 . A A . 19 ILE HB 1 1
15 3659 1 1 19 ILE HD11 H -1.664 1.850 -3.486 1.00 . A A . 19 ILE HD11 1 1
15 3660 1 1 19 ILE HD12 H 0.035 1.834 -3.950 1.00 . A A . 19 ILE HD12 1 1
15 3661 1 1 19 ILE HD13 H -0.773 3.365 -3.617 1.00 . A A . 19 ILE HD13 1 1
15 3662 1 1 19 ILE HG12 H -0.575 3.138 -1.403 1.00 . A A . 19 ILE HG12 1 1
15 3663 1 1 19 ILE HG13 H 0.757 2.077 -1.845 1.00 . A A . 19 ILE HG13 1 1
15 3664 1 1 19 ILE HG21 H -0.263 -0.959 -1.336 1.00 . A A . 19 ILE HG21 1 1
15 3665 1 1 19 ILE HG22 H -0.292 -0.050 -2.846 1.00 . A A . 19 ILE HG22 1 1
15 3666 1 1 19 ILE HG23 H -1.795 -0.660 -2.156 1.00 . A A . 19 ILE HG23 1 1
15 3667 1 1 19 ILE N N -2.900 0.763 0.413 1.00 . A A . 19 ILE N 1 1
15 3668 1 1 19 ILE O O -3.642 1.674 -2.930 1.00 . A A . 19 ILE O 1 1
15 3669 1 1 20 TEE CA C -4.704 -0.790 -2.879 1.00 . A A . 20 TEE CA 1 1
15 3670 1 1 20 TEE CB C -4.226 -1.830 -3.696 1.00 . A A . 20 TEE CB 1 1
15 3671 1 1 20 TEE HA H -5.057 -1.706 -2.427 1.00 . A A . 20 TEE HA 1 1
15 3672 1 1 20 TEE HB2 H -4.406 -1.807 -4.759 1.00 . A A . 20 TEE HB2 1 1
15 3673 1 1 20 TEE HN1 H -3.670 -0.807 -1.080 1.00 . A A . 20 TEE HN1 1 1
15 3674 1 1 20 TEE N N -3.897 -0.300 -1.892 1.00 . A A . 20 TEE N 1 1
15 3675 1 1 20 TEE SG S -2.865 -3.012 -3.821 1.00 . A A . 20 TEE SG 1 1
16 3676 1 1 1 CYS C C 4.368 5.127 -1.917 1.00 . A A . 1 CYS C 1 1
16 3677 1 1 1 CYS CA C 4.261 6.580 -1.477 1.00 . A A . 1 CYS CA 1 1
16 3678 1 1 1 CYS CB C 3.920 7.469 -2.670 1.00 . A A . 1 CYS CB 1 1
16 3679 1 1 1 CYS H1 H 5.839 6.343 -0.146 1.00 . A A . 1 CYS H1 1 1
16 3680 1 1 1 CYS H2 H 5.393 7.960 -0.401 1.00 . A A . 1 CYS H2 1 1
16 3681 1 1 1 CYS H3 H 6.269 7.120 -1.589 1.00 . A A . 1 CYS H3 1 1
16 3682 1 1 1 CYS HA H 3.476 6.663 -0.738 1.00 . A A . 1 CYS HA 1 1
16 3683 1 1 1 CYS HB2 H 3.764 8.480 -2.323 1.00 . A A . 1 CYS HB2 1 1
16 3684 1 1 1 CYS HB3 H 4.745 7.455 -3.366 1.00 . A A . 1 CYS HB3 1 1
16 3685 1 1 1 CYS N N 5.526 7.035 -0.862 1.00 . A A . 1 CYS N 1 1
16 3686 1 1 1 CYS O O 5.457 4.673 -2.273 1.00 . A A . 1 CYS O 1 1
16 3687 1 1 1 CYS SG S 2.438 6.928 -3.535 1.00 . A A . 1 CYS SG 1 1
16 3688 1 1 2 ABA C C 1.904 5.092 0.091 1.00 . A A . 2 ABA C 1 1
16 3689 1 1 2 ABA CA C 1.951 4.870 -1.423 1.00 . A A . 2 ABA CA 1 1
16 3690 1 1 2 ABA CB C 1.543 6.168 -2.162 1.00 . A A . 2 ABA CB 1 1
16 3691 1 1 2 ABA CG C 0.407 5.893 -3.136 1.00 . A A . 2 ABA CG 1 1
16 3692 1 1 2 ABA H H 3.333 3.433 -2.135 1.00 . A A . 2 ABA H 1 1
16 3693 1 1 2 ABA HA H 1.224 4.111 -1.671 1.00 . A A . 2 ABA HA 1 1
16 3694 1 1 2 ABA HB3 H 1.193 6.879 -1.429 1.00 . A A . 2 ABA HB3 1 1
16 3695 1 1 2 ABA HG1 H -0.235 5.120 -2.736 1.00 . A A . 2 ABA HG1 1 1
16 3696 1 1 2 ABA HG2 H 0.815 5.567 -4.082 1.00 . A A . 2 ABA HG2 1 1
16 3697 1 1 2 ABA HG3 H -0.168 6.796 -3.284 1.00 . A A . 2 ABA HG3 1 1
16 3698 1 1 2 ABA N N 3.263 4.371 -1.863 1.00 . A A . 2 ABA N 1 1
16 3699 1 1 2 ABA O O 2.930 5.343 0.726 1.00 . A A . 2 ABA O 1 1
16 3700 1 1 3 PHE C C 1.351 3.876 2.794 1.00 . A A . 3 PHE C 1 1
16 3701 1 1 3 PHE CA C 0.540 4.968 2.110 1.00 . A A . 3 PHE CA 1 1
16 3702 1 1 3 PHE CB C -0.943 4.826 2.468 1.00 . A A . 3 PHE CB 1 1
16 3703 1 1 3 PHE CD1 C -0.857 5.932 4.720 1.00 . A A . 3 PHE CD1 1 1
16 3704 1 1 3 PHE CD2 C -1.811 3.753 4.561 1.00 . A A . 3 PHE CD2 1 1
16 3705 1 1 3 PHE CE1 C -1.102 5.940 6.079 1.00 . A A . 3 PHE CE1 1 1
16 3706 1 1 3 PHE CE2 C -2.055 3.756 5.920 1.00 . A A . 3 PHE CE2 1 1
16 3707 1 1 3 PHE CG C -1.209 4.838 3.947 1.00 . A A . 3 PHE CG 1 1
16 3708 1 1 3 PHE CZ C -1.700 4.850 6.679 1.00 . A A . 3 PHE CZ 1 1
16 3709 1 1 3 PHE H H -0.034 4.624 0.109 1.00 . A A . 3 PHE H 1 1
16 3710 1 1 3 PHE HA H 0.895 5.931 2.444 1.00 . A A . 3 PHE HA 1 1
16 3711 1 1 3 PHE HB2 H -1.494 5.642 2.024 1.00 . A A . 3 PHE HB2 1 1
16 3712 1 1 3 PHE HB3 H -1.313 3.891 2.069 1.00 . A A . 3 PHE HB3 1 1
16 3713 1 1 3 PHE HD1 H -0.390 6.785 4.251 1.00 . A A . 3 PHE HD1 1 1
16 3714 1 1 3 PHE HD2 H -2.088 2.896 3.968 1.00 . A A . 3 PHE HD2 1 1
16 3715 1 1 3 PHE HE1 H -0.823 6.798 6.671 1.00 . A A . 3 PHE HE1 1 1
16 3716 1 1 3 PHE HE2 H -2.525 2.902 6.386 1.00 . A A . 3 PHE HE2 1 1
16 3717 1 1 3 PHE HZ H -1.889 4.855 7.742 1.00 . A A . 3 PHE HZ 1 1
16 3718 1 1 3 PHE N N 0.720 4.899 0.664 1.00 . A A . 3 PHE N 1 1
16 3719 1 1 3 PHE O O 1.051 2.695 2.657 1.00 . A A . 3 PHE O 1 1
16 3720 1 1 4 ABA C C 4.770 3.941 4.040 1.00 . A A . 4 ABA C 1 1
16 3721 1 1 4 ABA CA C 3.365 3.336 4.035 1.00 . A A . 4 ABA CA 1 1
16 3722 1 1 4 ABA CB C 2.942 2.936 5.474 1.00 . A A . 4 ABA CB 1 1
16 3723 1 1 4 ABA CG C 2.376 4.126 6.236 1.00 . A A . 4 ABA CG 1 1
16 3724 1 1 4 ABA H H 2.660 5.233 3.436 1.00 . A A . 4 ABA H 1 1
16 3725 1 1 4 ABA HA H 3.377 2.442 3.417 1.00 . A A . 4 ABA HA 1 1
16 3726 1 1 4 ABA HB3 H 2.172 2.182 5.402 1.00 . A A . 4 ABA HB3 1 1
16 3727 1 1 4 ABA HG1 H 3.088 4.936 6.219 1.00 . A A . 4 ABA HG1 1 1
16 3728 1 1 4 ABA HG2 H 2.183 3.838 7.260 1.00 . A A . 4 ABA HG2 1 1
16 3729 1 1 4 ABA HG3 H 1.456 4.446 5.772 1.00 . A A . 4 ABA HG3 1 1
16 3730 1 1 4 ABA N N 2.433 4.275 3.436 1.00 . A A . 4 ABA N 1 1
16 3731 1 1 4 ABA O O 5.086 4.764 3.179 1.00 . A A . 4 ABA O 1 1
16 3732 1 1 5 LEU C C 7.835 3.593 3.897 1.00 . A A . 5 LEU C 1 1
16 3733 1 1 5 LEU CA C 6.971 4.075 5.075 1.00 . A A . 5 LEU CA 1 1
16 3734 1 1 5 LEU CB C 7.632 3.702 6.408 1.00 . A A . 5 LEU CB 1 1
16 3735 1 1 5 LEU CD1 C 7.650 3.785 8.910 1.00 . A A . 5 LEU CD1 1 1
16 3736 1 1 5 LEU CD2 C 6.984 5.807 7.606 1.00 . A A . 5 LEU CD2 1 1
16 3737 1 1 5 LEU CG C 6.963 4.288 7.652 1.00 . A A . 5 LEU CG 1 1
16 3738 1 1 5 LEU H H 5.304 2.903 5.675 1.00 . A A . 5 LEU H 1 1
16 3739 1 1 5 LEU HA H 6.901 5.153 5.019 1.00 . A A . 5 LEU HA 1 1
16 3740 1 1 5 LEU HB2 H 7.629 2.625 6.497 1.00 . A A . 5 LEU HB2 1 1
16 3741 1 1 5 LEU HB3 H 8.656 4.042 6.384 1.00 . A A . 5 LEU HB3 1 1
16 3742 1 1 5 LEU HD11 H 6.914 3.358 9.575 1.00 . A A . 5 LEU HD11 1 1
16 3743 1 1 5 LEU HD12 H 8.145 4.609 9.404 1.00 . A A . 5 LEU HD12 1 1
16 3744 1 1 5 LEU HD13 H 8.377 3.034 8.646 1.00 . A A . 5 LEU HD13 1 1
16 3745 1 1 5 LEU HD21 H 7.339 6.190 8.550 1.00 . A A . 5 LEU HD21 1 1
16 3746 1 1 5 LEU HD22 H 5.985 6.175 7.420 1.00 . A A . 5 LEU HD22 1 1
16 3747 1 1 5 LEU HD23 H 7.641 6.133 6.814 1.00 . A A . 5 LEU HD23 1 1
16 3748 1 1 5 LEU HG H 5.932 3.967 7.684 1.00 . A A . 5 LEU HG 1 1
16 3749 1 1 5 LEU N N 5.607 3.552 5.000 1.00 . A A . 5 LEU N 1 1
16 3750 1 1 5 LEU O O 8.441 4.413 3.206 1.00 . A A . 5 LEU O 1 1
16 3751 1 1 6 PRO C C 8.203 2.156 1.172 1.00 . A A . 6 PRO C 1 1
16 3752 1 1 6 PRO CA C 8.733 1.734 2.541 1.00 . A A . 6 PRO CA 1 1
16 3753 1 1 6 PRO CB C 8.637 0.215 2.708 1.00 . A A . 6 PRO CB 1 1
16 3754 1 1 6 PRO CD C 7.258 1.184 4.398 1.00 . A A . 6 PRO CD 1 1
16 3755 1 1 6 PRO CG C 7.396 -0.007 3.497 1.00 . A A . 6 PRO CG 1 1
16 3756 1 1 6 PRO HA H 9.764 2.042 2.631 1.00 . A A . 6 PRO HA 1 1
16 3757 1 1 6 PRO HB2 H 8.576 -0.253 1.737 1.00 . A A . 6 PRO HB2 1 1
16 3758 1 1 6 PRO HB3 H 9.508 -0.147 3.234 1.00 . A A . 6 PRO HB3 1 1
16 3759 1 1 6 PRO HD2 H 6.215 1.412 4.564 1.00 . A A . 6 PRO HD2 1 1
16 3760 1 1 6 PRO HD3 H 7.760 1.005 5.337 1.00 . A A . 6 PRO HD3 1 1
16 3761 1 1 6 PRO HG2 H 6.548 -0.074 2.832 1.00 . A A . 6 PRO HG2 1 1
16 3762 1 1 6 PRO HG3 H 7.489 -0.911 4.080 1.00 . A A . 6 PRO HG3 1 1
16 3763 1 1 6 PRO N N 7.922 2.264 3.644 1.00 . A A . 6 PRO N 1 1
16 3764 1 1 6 PRO O O 7.007 2.393 1.005 1.00 . A A . 6 PRO O 1 1
16 3765 1 1 7 GLY C C 9.198 1.669 -2.191 1.00 . A A . 7 GLY C 1 1
16 3766 1 1 7 GLY CA C 8.709 2.647 -1.141 1.00 . A A . 7 GLY CA 1 1
16 3767 1 1 7 GLY H H 10.044 2.056 0.389 1.00 . A A . 7 GLY H 1 1
16 3768 1 1 7 GLY HA2 H 7.630 2.701 -1.190 1.00 . A A . 7 GLY HA2 1 1
16 3769 1 1 7 GLY HA3 H 9.117 3.623 -1.355 1.00 . A A . 7 GLY HA3 1 1
16 3770 1 1 7 GLY N N 9.100 2.256 0.199 1.00 . A A . 7 GLY N 1 1
16 3771 1 1 7 GLY O O 9.485 2.057 -3.325 1.00 . A A . 7 GLY O 1 1
16 3772 1 1 8 GLY C C 8.747 -1.667 -3.000 1.00 . A A . 8 GLY C 1 1
16 3773 1 1 8 GLY CA C 9.795 -0.610 -2.723 1.00 . A A . 8 GLY CA 1 1
16 3774 1 1 8 GLY H H 9.097 0.162 -0.882 1.00 . A A . 8 GLY H 1 1
16 3775 1 1 8 GLY HA2 H 10.072 -0.140 -3.655 1.00 . A A . 8 GLY HA2 1 1
16 3776 1 1 8 GLY HA3 H 10.667 -1.086 -2.298 1.00 . A A . 8 GLY HA3 1 1
16 3777 1 1 8 GLY N N 9.322 0.408 -1.806 1.00 . A A . 8 GLY N 1 1
16 3778 1 1 8 GLY O O 7.581 -1.346 -3.223 1.00 . A A . 8 GLY O 1 1
16 3779 1 1 9 GLY C C 7.294 -4.248 -2.093 1.00 . A A . 9 GLY C 1 1
16 3780 1 1 9 GLY CA C 8.253 -4.021 -3.247 1.00 . A A . 9 GLY CA 1 1
16 3781 1 1 9 GLY H H 10.117 -3.109 -2.822 1.00 . A A . 9 GLY H 1 1
16 3782 1 1 9 GLY HA2 H 7.683 -3.807 -4.138 1.00 . A A . 9 GLY HA2 1 1
16 3783 1 1 9 GLY HA3 H 8.825 -4.924 -3.408 1.00 . A A . 9 GLY HA3 1 1
16 3784 1 1 9 GLY N N 9.168 -2.923 -3.000 1.00 . A A . 9 GLY N 1 1
16 3785 1 1 9 GLY O O 6.173 -3.735 -2.094 1.00 . A A . 9 GLY O 1 1
16 3786 1 1 10 GLY C C 6.779 -4.043 0.945 1.00 . A A . 10 GLY C 1 1
16 3787 1 1 10 GLY CA C 6.925 -5.272 0.072 1.00 . A A . 10 GLY CA 1 1
16 3788 1 1 10 GLY H H 8.649 -5.383 -1.155 1.00 . A A . 10 GLY H 1 1
16 3789 1 1 10 GLY HA2 H 5.946 -5.594 -0.245 1.00 . A A . 10 GLY HA2 1 1
16 3790 1 1 10 GLY HA3 H 7.385 -6.059 0.651 1.00 . A A . 10 GLY HA3 1 1
16 3791 1 1 10 GLY N N 7.740 -5.012 -1.102 1.00 . A A . 10 GLY N 1 1
16 3792 1 1 10 GLY O O 7.652 -3.744 1.762 1.00 . A A . 10 GLY O 1 1
16 3793 1 1 11 VAL C C 4.414 -2.126 2.444 1.00 . A A . 11 VAL C 1 1
16 3794 1 1 11 VAL CA C 5.516 -2.031 1.418 1.00 . A A . 11 VAL CA 1 1
16 3795 1 1 11 VAL CB C 5.174 -0.873 0.456 1.00 . A A . 11 VAL CB 1 1
16 3796 1 1 11 VAL CG1 C 6.366 -0.531 -0.417 1.00 . A A . 11 VAL CG1 1 1
16 3797 1 1 11 VAL CG2 C 3.965 -1.224 -0.401 1.00 . A A . 11 VAL CG2 1 1
16 3798 1 1 11 VAL H H 5.103 -3.535 -0.010 1.00 . A A . 11 VAL H 1 1
16 3799 1 1 11 VAL HA H 6.431 -1.779 1.932 1.00 . A A . 11 VAL HA 1 1
16 3800 1 1 11 VAL HB H 4.926 0.003 1.050 1.00 . A A . 11 VAL HB 1 1
16 3801 1 1 11 VAL HG11 H 6.956 0.235 0.065 1.00 . A A . 11 VAL HG11 1 1
16 3802 1 1 11 VAL HG12 H 6.019 -0.171 -1.374 1.00 . A A . 11 VAL HG12 1 1
16 3803 1 1 11 VAL HG13 H 6.970 -1.414 -0.562 1.00 . A A . 11 VAL HG13 1 1
16 3804 1 1 11 VAL HG21 H 3.260 -1.791 0.188 1.00 . A A . 11 VAL HG21 1 1
16 3805 1 1 11 VAL HG22 H 4.285 -1.814 -1.249 1.00 . A A . 11 VAL HG22 1 1
16 3806 1 1 11 VAL HG23 H 3.495 -0.316 -0.750 1.00 . A A . 11 VAL HG23 1 1
16 3807 1 1 11 VAL N N 5.720 -3.285 0.712 1.00 . A A . 11 VAL N 1 1
16 3808 1 1 11 VAL O O 3.792 -3.172 2.644 1.00 . A A . 11 VAL O 1 1
16 3809 1 1 12 CYS C C 1.820 -0.515 3.298 1.00 . A A . 12 CYS C 1 1
16 3810 1 1 12 CYS CA C 3.121 -0.821 4.019 1.00 . A A . 12 CYS CA 1 1
16 3811 1 1 12 CYS CB C 3.549 0.311 4.945 1.00 . A A . 12 CYS CB 1 1
16 3812 1 1 12 CYS H H 4.685 -0.201 2.791 1.00 . A A . 12 CYS H 1 1
16 3813 1 1 12 CYS HA H 3.018 -1.736 4.585 1.00 . A A . 12 CYS HA 1 1
16 3814 1 1 12 CYS HB2 H 4.118 -0.118 5.753 1.00 . A A . 12 CYS HB2 1 1
16 3815 1 1 12 CYS HB3 H 4.195 0.975 4.392 1.00 . A A . 12 CYS HB3 1 1
16 3816 1 1 12 CYS N N 4.170 -0.991 3.055 1.00 . A A . 12 CYS N 1 1
16 3817 1 1 12 CYS O O 1.836 0.106 2.234 1.00 . A A . 12 CYS O 1 1
16 3818 1 1 12 CYS SG S 2.216 1.290 5.653 1.00 . A A . 12 CYS SG 1 1
16 3819 1 1 13 ABA C C -0.556 -1.537 1.763 1.00 . A A . 13 ABA C 1 1
16 3820 1 1 13 ABA CA C -0.572 -0.907 3.146 1.00 . A A . 13 ABA CA 1 1
16 3821 1 1 13 ABA CB C -1.713 -1.552 3.959 1.00 . A A . 13 ABA CB 1 1
16 3822 1 1 13 ABA CG C -1.551 -1.258 5.445 1.00 . A A . 13 ABA CG 1 1
16 3823 1 1 13 ABA H H 0.788 -1.614 4.610 1.00 . A A . 13 ABA H 1 1
16 3824 1 1 13 ABA HA H -0.772 0.154 3.037 1.00 . A A . 13 ABA HA 1 1
16 3825 1 1 13 ABA HB3 H -1.657 -2.625 3.815 1.00 . A A . 13 ABA HB3 1 1
16 3826 1 1 13 ABA HG1 H -0.877 -1.980 5.883 1.00 . A A . 13 ABA HG1 1 1
16 3827 1 1 13 ABA HG2 H -2.514 -1.324 5.931 1.00 . A A . 13 ABA HG2 1 1
16 3828 1 1 13 ABA HG3 H -1.148 -0.262 5.574 1.00 . A A . 13 ABA HG3 1 1
16 3829 1 1 13 ABA N N 0.721 -1.056 3.803 1.00 . A A . 13 ABA N 1 1
16 3830 1 1 13 ABA O O -1.227 -1.059 0.855 1.00 . A A . 13 ABA O 1 1
16 3831 1 1 14 LEU C C -0.908 -4.024 -0.056 1.00 . A A . 14 LEU C 1 1
16 3832 1 1 14 LEU CA C 0.357 -3.259 0.330 1.00 . A A . 14 LEU CA 1 1
16 3833 1 1 14 LEU CB C 1.568 -4.193 0.380 1.00 . A A . 14 LEU CB 1 1
16 3834 1 1 14 LEU CD1 C 1.945 -4.422 -2.090 1.00 . A A . 14 LEU CD1 1 1
16 3835 1 1 14 LEU CD2 C 2.774 -6.192 -0.524 1.00 . A A . 14 LEU CD2 1 1
16 3836 1 1 14 LEU CG C 1.683 -5.163 -0.787 1.00 . A A . 14 LEU CG 1 1
16 3837 1 1 14 LEU H H 0.697 -2.964 2.382 1.00 . A A . 14 LEU H 1 1
16 3838 1 1 14 LEU HA H 0.537 -2.494 -0.408 1.00 . A A . 14 LEU HA 1 1
16 3839 1 1 14 LEU HB2 H 2.460 -3.586 0.406 1.00 . A A . 14 LEU HB2 1 1
16 3840 1 1 14 LEU HB3 H 1.516 -4.767 1.293 1.00 . A A . 14 LEU HB3 1 1
16 3841 1 1 14 LEU HD11 H 3.009 -4.334 -2.245 1.00 . A A . 14 LEU HD11 1 1
16 3842 1 1 14 LEU HD12 H 1.506 -3.436 -2.038 1.00 . A A . 14 LEU HD12 1 1
16 3843 1 1 14 LEU HD13 H 1.505 -4.971 -2.911 1.00 . A A . 14 LEU HD13 1 1
16 3844 1 1 14 LEU HD21 H 2.680 -7.004 -1.231 1.00 . A A . 14 LEU HD21 1 1
16 3845 1 1 14 LEU HD22 H 2.672 -6.576 0.482 1.00 . A A . 14 LEU HD22 1 1
16 3846 1 1 14 LEU HD23 H 3.740 -5.727 -0.637 1.00 . A A . 14 LEU HD23 1 1
16 3847 1 1 14 LEU HG H 0.743 -5.684 -0.878 1.00 . A A . 14 LEU HG 1 1
16 3848 1 1 14 LEU N N 0.207 -2.606 1.610 1.00 . A A . 14 LEU N 1 1
16 3849 1 1 14 LEU O O -1.050 -5.212 0.238 1.00 . A A . 14 LEU O 1 1
16 3850 1 1 15 ABA C C -4.273 -3.211 -0.586 1.00 . A A . 15 ABA C 1 1
16 3851 1 1 15 ABA CA C -3.067 -3.937 -1.154 1.00 . A A . 15 ABA CA 1 1
16 3852 1 1 15 ABA CB C -3.150 -3.955 -2.696 1.00 . A A . 15 ABA CB 1 1
16 3853 1 1 15 ABA CG C -2.333 -5.129 -3.208 1.00 . A A . 15 ABA CG 1 1
16 3854 1 1 15 ABA H H -1.692 -2.363 -0.841 1.00 . A A . 15 ABA H 1 1
16 3855 1 1 15 ABA HA H -3.079 -4.960 -0.804 1.00 . A A . 15 ABA HA 1 1
16 3856 1 1 15 ABA HB3 H -4.180 -4.113 -2.977 1.00 . A A . 15 ABA HB3 1 1
16 3857 1 1 15 ABA HG1 H -1.281 -4.897 -3.133 1.00 . A A . 15 ABA HG1 1 1
16 3858 1 1 15 ABA HG2 H -2.586 -5.320 -4.239 1.00 . A A . 15 ABA HG2 1 1
16 3859 1 1 15 ABA HG3 H -2.551 -6.005 -2.615 1.00 . A A . 15 ABA HG3 1 1
16 3860 1 1 15 ABA N N -1.830 -3.326 -0.699 1.00 . A A . 15 ABA N 1 1
16 3861 1 1 15 ABA O O -4.148 -2.091 -0.085 1.00 . A A . 15 ABA O 1 1
16 3862 1 1 16 DHA C C -6.676 -2.797 1.169 1.00 . A A . 16 DHA C 1 1
16 3863 1 1 16 DHA CA C -6.578 -3.305 -0.151 1.00 . A A . 16 DHA CA 1 1
16 3864 1 1 16 DHA CB C -7.639 -3.221 -0.964 1.00 . A A . 16 DHA CB 1 1
16 3865 1 1 16 DHA H H -5.389 -4.790 -0.999 1.00 . A A . 16 DHA H 1 1
16 3866 1 1 16 DHA HB1 H -7.578 -3.603 -1.973 1.00 . A A . 16 DHA HB1 1 1
16 3867 1 1 16 DHA HB2 H -8.556 -2.775 -0.611 1.00 . A A . 16 DHA HB2 1 1
16 3868 1 1 16 DHA N N -5.422 -3.878 -0.622 1.00 . A A . 16 DHA N 1 1
16 3869 1 1 16 DHA O O -7.519 -1.941 1.454 1.00 . A A . 16 DHA O 1 1
16 3870 1 1 17 GLU C C -5.466 -1.362 3.538 1.00 . A A . 17 GLU C 1 1
16 3871 1 1 17 GLU CA C -5.808 -2.850 3.442 1.00 . A A . 17 GLU CA 1 1
16 3872 1 1 17 GLU CB C -4.809 -3.686 4.245 1.00 . A A . 17 GLU CB 1 1
16 3873 1 1 17 GLU CD C -3.960 -4.386 6.516 1.00 . A A . 17 GLU CD 1 1
16 3874 1 1 17 GLU CG C -4.893 -3.473 5.746 1.00 . A A . 17 GLU CG 1 1
16 3875 1 1 17 GLU H H -5.178 -3.980 1.764 1.00 . A A . 17 GLU H 1 1
16 3876 1 1 17 GLU HA H -6.799 -3.005 3.846 1.00 . A A . 17 GLU HA 1 1
16 3877 1 1 17 GLU HB2 H -4.991 -4.730 4.041 1.00 . A A . 17 GLU HB2 1 1
16 3878 1 1 17 GLU HB3 H -3.810 -3.435 3.923 1.00 . A A . 17 GLU HB3 1 1
16 3879 1 1 17 GLU HG2 H -4.634 -2.449 5.967 1.00 . A A . 17 GLU HG2 1 1
16 3880 1 1 17 GLU HG3 H -5.906 -3.665 6.065 1.00 . A A . 17 GLU HG3 1 1
16 3881 1 1 17 GLU N N -5.820 -3.289 2.054 1.00 . A A . 17 GLU N 1 1
16 3882 1 1 17 GLU O O -5.968 -0.654 4.413 1.00 . A A . 17 GLU O 1 1
16 3883 1 1 17 GLU OE1 O -4.070 -5.623 6.367 1.00 . A A . 17 GLU OE1 1 1
16 3884 1 1 17 GLU OE2 O -3.098 -3.873 7.259 1.00 . A A . 17 GLU OE2 1 1
16 3885 1 1 18 CYS C C -4.328 1.107 1.160 1.00 . A A . 18 CYS C 1 1
16 3886 1 1 18 CYS CA C -4.325 0.544 2.573 1.00 . A A . 18 CYS CA 1 1
16 3887 1 1 18 CYS CB C -2.954 0.800 3.170 1.00 . A A . 18 CYS CB 1 1
16 3888 1 1 18 CYS H H -4.333 -1.464 1.889 1.00 . A A . 18 CYS H 1 1
16 3889 1 1 18 CYS HA H -5.063 1.070 3.158 1.00 . A A . 18 CYS HA 1 1
16 3890 1 1 18 CYS HB2 H -2.225 0.551 2.420 1.00 . A A . 18 CYS HB2 1 1
16 3891 1 1 18 CYS HB3 H -2.868 1.848 3.397 1.00 . A A . 18 CYS HB3 1 1
16 3892 1 1 18 CYS N N -4.662 -0.873 2.601 1.00 . A A . 18 CYS N 1 1
16 3893 1 1 18 CYS O O -5.222 1.873 0.798 1.00 . A A . 18 CYS O 1 1
16 3894 1 1 18 CYS SG S -2.581 -0.137 4.665 1.00 . A A . 18 CYS SG 1 1
16 3895 1 1 19 ILE C C -3.925 1.175 -1.881 1.00 . A A . 19 ILE C 1 1
16 3896 1 1 19 ILE CA C -2.968 1.629 -0.783 1.00 . A A . 19 ILE CA 1 1
16 3897 1 1 19 ILE CB C -1.518 1.478 -1.293 1.00 . A A . 19 ILE CB 1 1
16 3898 1 1 19 ILE CD1 C 0.141 -0.126 -2.381 1.00 . A A . 19 ILE CD1 1 1
16 3899 1 1 19 ILE CG1 C -1.243 0.057 -1.796 1.00 . A A . 19 ILE CG1 1 1
16 3900 1 1 19 ILE CG2 C -0.531 1.864 -0.205 1.00 . A A . 19 ILE CG2 1 1
16 3901 1 1 19 ILE H H -2.451 0.446 0.877 1.00 . A A . 19 ILE H 1 1
16 3902 1 1 19 ILE HA H -3.127 2.667 -0.574 1.00 . A A . 19 ILE HA 1 1
16 3903 1 1 19 ILE HB H -1.390 2.164 -2.108 1.00 . A A . 19 ILE HB 1 1
16 3904 1 1 19 ILE HD11 H 0.727 0.761 -2.196 1.00 . A A . 19 ILE HD11 1 1
16 3905 1 1 19 ILE HD12 H 0.062 -0.290 -3.444 1.00 . A A . 19 ILE HD12 1 1
16 3906 1 1 19 ILE HD13 H 0.616 -0.978 -1.917 1.00 . A A . 19 ILE HD13 1 1
16 3907 1 1 19 ILE HG12 H -1.348 -0.634 -0.973 1.00 . A A . 19 ILE HG12 1 1
16 3908 1 1 19 ILE HG13 H -1.963 -0.191 -2.562 1.00 . A A . 19 ILE HG13 1 1
16 3909 1 1 19 ILE HG21 H -1.055 1.971 0.733 1.00 . A A . 19 ILE HG21 1 1
16 3910 1 1 19 ILE HG22 H -0.058 2.801 -0.461 1.00 . A A . 19 ILE HG22 1 1
16 3911 1 1 19 ILE HG23 H 0.221 1.095 -0.112 1.00 . A A . 19 ILE HG23 1 1
16 3912 1 1 19 ILE N N -3.201 0.927 0.464 1.00 . A A . 19 ILE N 1 1
16 3913 1 1 19 ILE O O -4.199 1.912 -2.828 1.00 . A A . 19 ILE O 1 1
16 3914 1 1 20 TEE CA C -5.131 -0.616 -2.768 1.00 . A A . 20 TEE CA 1 1
16 3915 1 1 20 TEE CB C -4.586 -1.599 -3.619 1.00 . A A . 20 TEE CB 1 1
16 3916 1 1 20 TEE HA H -5.268 -1.599 -2.341 1.00 . A A . 20 TEE HA 1 1
16 3917 1 1 20 TEE HB2 H -4.611 -1.460 -4.690 1.00 . A A . 20 TEE HB2 1 1
16 3918 1 1 20 TEE HN1 H -4.010 -0.592 -1.023 1.00 . A A . 20 TEE HN1 1 1
16 3919 1 1 20 TEE N N -4.343 -0.078 -1.789 1.00 . A A . 20 TEE N 1 1
16 3920 1 1 20 TEE SG S -3.193 -2.691 -3.992 1.00 . A A . 20 TEE SG 1 1
17 3921 1 1 1 CYS C C 3.116 5.685 -1.995 1.00 . A A . 1 CYS C 1 1
17 3922 1 1 1 CYS CA C 2.861 7.093 -1.473 1.00 . A A . 1 CYS CA 1 1
17 3923 1 1 1 CYS CB C 2.193 7.951 -2.546 1.00 . A A . 1 CYS CB 1 1
17 3924 1 1 1 CYS H1 H 3.935 8.449 -0.318 1.00 . A A . 1 CYS H1 1 1
17 3925 1 1 1 CYS H2 H 4.581 8.200 -1.863 1.00 . A A . 1 CYS H2 1 1
17 3926 1 1 1 CYS H3 H 4.772 7.017 -0.663 1.00 . A A . 1 CYS H3 1 1
17 3927 1 1 1 CYS HA H 2.209 7.032 -0.615 1.00 . A A . 1 CYS HA 1 1
17 3928 1 1 1 CYS HB2 H 1.975 8.925 -2.130 1.00 . A A . 1 CYS HB2 1 1
17 3929 1 1 1 CYS HB3 H 2.871 8.065 -3.377 1.00 . A A . 1 CYS HB3 1 1
17 3930 1 1 1 CYS N N 4.122 7.736 -1.051 1.00 . A A . 1 CYS N 1 1
17 3931 1 1 1 CYS O O 4.184 5.419 -2.553 1.00 . A A . 1 CYS O 1 1
17 3932 1 1 1 CYS SG S 0.660 7.237 -3.155 1.00 . A A . 1 CYS SG 1 1
17 3933 1 1 2 ABA C C 1.025 5.169 0.381 1.00 . A A . 2 ABA C 1 1
17 3934 1 1 2 ABA CA C 0.877 5.030 -1.135 1.00 . A A . 2 ABA CA 1 1
17 3935 1 1 2 ABA CB C 0.174 6.288 -1.699 1.00 . A A . 2 ABA CB 1 1
17 3936 1 1 2 ABA CG C -0.821 5.910 -2.782 1.00 . A A . 2 ABA CG 1 1
17 3937 1 1 2 ABA H H 2.330 3.851 -2.127 1.00 . A A . 2 ABA H 1 1
17 3938 1 1 2 ABA HA H 0.236 4.182 -1.332 1.00 . A A . 2 ABA HA 1 1
17 3939 1 1 2 ABA HB3 H -0.368 6.761 -0.895 1.00 . A A . 2 ABA HB3 1 1
17 3940 1 1 2 ABA HG1 H -0.290 5.521 -3.639 1.00 . A A . 2 ABA HG1 1 1
17 3941 1 1 2 ABA HG2 H -1.386 6.784 -3.072 1.00 . A A . 2 ABA HG2 1 1
17 3942 1 1 2 ABA HG3 H -1.495 5.157 -2.403 1.00 . A A . 2 ABA HG3 1 1
17 3943 1 1 2 ABA N N 2.163 4.761 -1.802 1.00 . A A . 2 ABA N 1 1
17 3944 1 1 2 ABA O O 2.058 5.615 0.881 1.00 . A A . 2 ABA O 1 1
17 3945 1 1 3 PHE C C 0.995 3.764 3.101 1.00 . A A . 3 PHE C 1 1
17 3946 1 1 3 PHE CA C 0.003 4.786 2.558 1.00 . A A . 3 PHE CA 1 1
17 3947 1 1 3 PHE CB C -1.395 4.506 3.116 1.00 . A A . 3 PHE CB 1 1
17 3948 1 1 3 PHE CD1 C -1.054 5.758 5.263 1.00 . A A . 3 PHE CD1 1 1
17 3949 1 1 3 PHE CD2 C -1.996 3.570 5.369 1.00 . A A . 3 PHE CD2 1 1
17 3950 1 1 3 PHE CE1 C -1.131 5.861 6.639 1.00 . A A . 3 PHE CE1 1 1
17 3951 1 1 3 PHE CE2 C -2.074 3.666 6.744 1.00 . A A . 3 PHE CE2 1 1
17 3952 1 1 3 PHE CG C -1.482 4.613 4.612 1.00 . A A . 3 PHE CG 1 1
17 3953 1 1 3 PHE CZ C -1.642 4.804 7.382 1.00 . A A . 3 PHE CZ 1 1
17 3954 1 1 3 PHE H H -0.794 4.380 0.644 1.00 . A A . 3 PHE H 1 1
17 3955 1 1 3 PHE HA H 0.315 5.775 2.865 1.00 . A A . 3 PHE HA 1 1
17 3956 1 1 3 PHE HB2 H -2.092 5.216 2.694 1.00 . A A . 3 PHE HB2 1 1
17 3957 1 1 3 PHE HB3 H -1.693 3.506 2.834 1.00 . A A . 3 PHE HB3 1 1
17 3958 1 1 3 PHE HD1 H -0.653 6.576 4.684 1.00 . A A . 3 PHE HD1 1 1
17 3959 1 1 3 PHE HD2 H -2.336 2.673 4.873 1.00 . A A . 3 PHE HD2 1 1
17 3960 1 1 3 PHE HE1 H -0.794 6.761 7.134 1.00 . A A . 3 PHE HE1 1 1
17 3961 1 1 3 PHE HE2 H -2.474 2.846 7.321 1.00 . A A . 3 PHE HE2 1 1
17 3962 1 1 3 PHE HZ H -1.705 4.880 8.458 1.00 . A A . 3 PHE HZ 1 1
17 3963 1 1 3 PHE N N -0.011 4.755 1.103 1.00 . A A . 3 PHE N 1 1
17 3964 1 1 3 PHE O O 0.743 2.564 3.061 1.00 . A A . 3 PHE O 1 1
17 3965 1 1 4 ABA C C 4.560 4.119 3.704 1.00 . A A . 4 ABA C 1 1
17 3966 1 1 4 ABA CA C 3.237 3.408 3.985 1.00 . A A . 4 ABA CA 1 1
17 3967 1 1 4 ABA CB C 3.105 3.073 5.496 1.00 . A A . 4 ABA CB 1 1
17 3968 1 1 4 ABA CG C 2.455 4.217 6.260 1.00 . A A . 4 ABA CG 1 1
17 3969 1 1 4 ABA H H 2.301 5.222 3.452 1.00 . A A . 4 ABA H 1 1
17 3970 1 1 4 ABA HA H 3.215 2.479 3.416 1.00 . A A . 4 ABA HA 1 1
17 3971 1 1 4 ABA HB3 H 2.480 2.200 5.597 1.00 . A A . 4 ABA HB3 1 1
17 3972 1 1 4 ABA HG1 H 2.335 3.936 7.296 1.00 . A A . 4 ABA HG1 1 1
17 3973 1 1 4 ABA HG2 H 1.485 4.429 5.830 1.00 . A A . 4 ABA HG2 1 1
17 3974 1 1 4 ABA HG3 H 3.079 5.094 6.194 1.00 . A A . 4 ABA HG3 1 1
17 3975 1 1 4 ABA N N 2.147 4.251 3.519 1.00 . A A . 4 ABA N 1 1
17 3976 1 1 4 ABA O O 4.645 4.890 2.747 1.00 . A A . 4 ABA O 1 1
17 3977 1 1 5 LEU C C 7.467 4.097 2.937 1.00 . A A . 5 LEU C 1 1
17 3978 1 1 5 LEU CA C 6.886 4.508 4.295 1.00 . A A . 5 LEU CA 1 1
17 3979 1 1 5 LEU CB C 7.862 4.185 5.434 1.00 . A A . 5 LEU CB 1 1
17 3980 1 1 5 LEU CD1 C 7.971 6.484 6.429 1.00 . A A . 5 LEU CD1 1 1
17 3981 1 1 5 LEU CD2 C 6.306 4.848 7.312 1.00 . A A . 5 LEU CD2 1 1
17 3982 1 1 5 LEU CG C 7.694 5.018 6.711 1.00 . A A . 5 LEU CG 1 1
17 3983 1 1 5 LEU H H 5.479 3.262 5.275 1.00 . A A . 5 LEU H 1 1
17 3984 1 1 5 LEU HA H 6.723 5.579 4.279 1.00 . A A . 5 LEU HA 1 1
17 3985 1 1 5 LEU HB2 H 7.741 3.144 5.694 1.00 . A A . 5 LEU HB2 1 1
17 3986 1 1 5 LEU HB3 H 8.869 4.329 5.069 1.00 . A A . 5 LEU HB3 1 1
17 3987 1 1 5 LEU HD11 H 9.020 6.619 6.215 1.00 . A A . 5 LEU HD11 1 1
17 3988 1 1 5 LEU HD12 H 7.701 7.074 7.292 1.00 . A A . 5 LEU HD12 1 1
17 3989 1 1 5 LEU HD13 H 7.387 6.805 5.578 1.00 . A A . 5 LEU HD13 1 1
17 3990 1 1 5 LEU HD21 H 5.998 3.817 7.218 1.00 . A A . 5 LEU HD21 1 1
17 3991 1 1 5 LEU HD22 H 5.606 5.482 6.785 1.00 . A A . 5 LEU HD22 1 1
17 3992 1 1 5 LEU HD23 H 6.328 5.126 8.357 1.00 . A A . 5 LEU HD23 1 1
17 3993 1 1 5 LEU HG H 8.411 4.677 7.438 1.00 . A A . 5 LEU HG 1 1
17 3994 1 1 5 LEU N N 5.587 3.878 4.517 1.00 . A A . 5 LEU N 1 1
17 3995 1 1 5 LEU O O 7.636 4.946 2.061 1.00 . A A . 5 LEU O 1 1
17 3996 1 1 6 PRO C C 6.939 2.377 0.361 1.00 . A A . 6 PRO C 1 1
17 3997 1 1 6 PRO CA C 8.094 2.329 1.366 1.00 . A A . 6 PRO CA 1 1
17 3998 1 1 6 PRO CB C 8.543 0.893 1.628 1.00 . A A . 6 PRO CB 1 1
17 3999 1 1 6 PRO CD C 7.382 1.656 3.589 1.00 . A A . 6 PRO CD 1 1
17 4000 1 1 6 PRO CG C 7.703 0.433 2.768 1.00 . A A . 6 PRO CG 1 1
17 4001 1 1 6 PRO HA H 8.923 2.911 0.992 1.00 . A A . 6 PRO HA 1 1
17 4002 1 1 6 PRO HB2 H 8.375 0.292 0.746 1.00 . A A . 6 PRO HB2 1 1
17 4003 1 1 6 PRO HB3 H 9.592 0.881 1.883 1.00 . A A . 6 PRO HB3 1 1
17 4004 1 1 6 PRO HD2 H 6.341 1.651 3.876 1.00 . A A . 6 PRO HD2 1 1
17 4005 1 1 6 PRO HD3 H 8.014 1.699 4.466 1.00 . A A . 6 PRO HD3 1 1
17 4006 1 1 6 PRO HG2 H 6.793 -0.014 2.395 1.00 . A A . 6 PRO HG2 1 1
17 4007 1 1 6 PRO HG3 H 8.253 -0.282 3.362 1.00 . A A . 6 PRO HG3 1 1
17 4008 1 1 6 PRO N N 7.666 2.788 2.680 1.00 . A A . 6 PRO N 1 1
17 4009 1 1 6 PRO O O 5.769 2.268 0.742 1.00 . A A . 6 PRO O 1 1
17 4010 1 1 7 GLY C C 6.544 1.903 -3.172 1.00 . A A . 7 GLY C 1 1
17 4011 1 1 7 GLY CA C 6.233 2.710 -1.925 1.00 . A A . 7 GLY CA 1 1
17 4012 1 1 7 GLY H H 8.208 2.720 -1.148 1.00 . A A . 7 GLY H 1 1
17 4013 1 1 7 GLY HA2 H 5.299 2.364 -1.512 1.00 . A A . 7 GLY HA2 1 1
17 4014 1 1 7 GLY HA3 H 6.129 3.750 -2.200 1.00 . A A . 7 GLY HA3 1 1
17 4015 1 1 7 GLY N N 7.263 2.597 -0.906 1.00 . A A . 7 GLY N 1 1
17 4016 1 1 7 GLY O O 6.127 2.266 -4.273 1.00 . A A . 7 GLY O 1 1
17 4017 1 1 8 GLY C C 6.913 -1.306 -4.224 1.00 . A A . 8 GLY C 1 1
17 4018 1 1 8 GLY CA C 7.676 0.003 -4.146 1.00 . A A . 8 GLY CA 1 1
17 4019 1 1 8 GLY H H 7.610 0.585 -2.112 1.00 . A A . 8 GLY H 1 1
17 4020 1 1 8 GLY HA2 H 7.499 0.565 -5.052 1.00 . A A . 8 GLY HA2 1 1
17 4021 1 1 8 GLY HA3 H 8.732 -0.215 -4.074 1.00 . A A . 8 GLY HA3 1 1
17 4022 1 1 8 GLY N N 7.290 0.818 -3.009 1.00 . A A . 8 GLY N 1 1
17 4023 1 1 8 GLY O O 5.858 -1.376 -4.855 1.00 . A A . 8 GLY O 1 1
17 4024 1 1 9 GLY C C 6.228 -4.079 -2.337 1.00 . A A . 9 GLY C 1 1
17 4025 1 1 9 GLY CA C 6.812 -3.654 -3.665 1.00 . A A . 9 GLY CA 1 1
17 4026 1 1 9 GLY H H 8.290 -2.241 -3.110 1.00 . A A . 9 GLY H 1 1
17 4027 1 1 9 GLY HA2 H 6.022 -3.624 -4.401 1.00 . A A . 9 GLY HA2 1 1
17 4028 1 1 9 GLY HA3 H 7.547 -4.383 -3.972 1.00 . A A . 9 GLY HA3 1 1
17 4029 1 1 9 GLY N N 7.446 -2.350 -3.602 1.00 . A A . 9 GLY N 1 1
17 4030 1 1 9 GLY O O 5.108 -3.691 -1.999 1.00 . A A . 9 GLY O 1 1
17 4031 1 1 10 GLY C C 6.542 -4.087 0.726 1.00 . A A . 10 GLY C 1 1
17 4032 1 1 10 GLY CA C 6.563 -5.247 -0.242 1.00 . A A . 10 GLY CA 1 1
17 4033 1 1 10 GLY H H 7.904 -5.071 -1.874 1.00 . A A . 10 GLY H 1 1
17 4034 1 1 10 GLY HA2 H 5.568 -5.661 -0.317 1.00 . A A . 10 GLY HA2 1 1
17 4035 1 1 10 GLY HA3 H 7.233 -6.005 0.133 1.00 . A A . 10 GLY HA3 1 1
17 4036 1 1 10 GLY N N 7.002 -4.833 -1.563 1.00 . A A . 10 GLY N 1 1
17 4037 1 1 10 GLY O O 7.562 -3.756 1.333 1.00 . A A . 10 GLY O 1 1
17 4038 1 1 11 VAL C C 4.262 -2.145 2.520 1.00 . A A . 11 VAL C 1 1
17 4039 1 1 11 VAL CA C 5.351 -2.126 1.479 1.00 . A A . 11 VAL CA 1 1
17 4040 1 1 11 VAL CB C 5.093 -0.928 0.542 1.00 . A A . 11 VAL CB 1 1
17 4041 1 1 11 VAL CG1 C 6.238 -0.779 -0.444 1.00 . A A . 11 VAL CG1 1 1
17 4042 1 1 11 VAL CG2 C 3.772 -1.092 -0.197 1.00 . A A . 11 VAL CG2 1 1
17 4043 1 1 11 VAL H H 4.705 -3.611 0.131 1.00 . A A . 11 VAL H 1 1
17 4044 1 1 11 VAL HA H 6.295 -1.962 1.978 1.00 . A A . 11 VAL HA 1 1
17 4045 1 1 11 VAL HB H 5.032 -0.021 1.149 1.00 . A A . 11 VAL HB 1 1
17 4046 1 1 11 VAL HG11 H 5.856 -0.426 -1.390 1.00 . A A . 11 VAL HG11 1 1
17 4047 1 1 11 VAL HG12 H 6.718 -1.736 -0.585 1.00 . A A . 11 VAL HG12 1 1
17 4048 1 1 11 VAL HG13 H 6.955 -0.070 -0.059 1.00 . A A . 11 VAL HG13 1 1
17 4049 1 1 11 VAL HG21 H 3.755 -0.438 -1.057 1.00 . A A . 11 VAL HG21 1 1
17 4050 1 1 11 VAL HG22 H 2.956 -0.837 0.465 1.00 . A A . 11 VAL HG22 1 1
17 4051 1 1 11 VAL HG23 H 3.663 -2.116 -0.521 1.00 . A A . 11 VAL HG23 1 1
17 4052 1 1 11 VAL N N 5.435 -3.368 0.738 1.00 . A A . 11 VAL N 1 1
17 4053 1 1 11 VAL O O 3.405 -3.028 2.554 1.00 . A A . 11 VAL O 1 1
17 4054 1 1 12 CYS C C 1.914 -0.433 3.372 1.00 . A A . 12 CYS C 1 1
17 4055 1 1 12 CYS CA C 3.178 -0.751 4.160 1.00 . A A . 12 CYS CA 1 1
17 4056 1 1 12 CYS CB C 3.652 0.444 4.977 1.00 . A A . 12 CYS CB 1 1
17 4057 1 1 12 CYS H H 4.894 -0.361 3.057 1.00 . A A . 12 CYS H 1 1
17 4058 1 1 12 CYS HA H 3.009 -1.595 4.808 1.00 . A A . 12 CYS HA 1 1
17 4059 1 1 12 CYS HB2 H 4.299 0.078 5.758 1.00 . A A . 12 CYS HB2 1 1
17 4060 1 1 12 CYS HB3 H 4.232 1.085 4.332 1.00 . A A . 12 CYS HB3 1 1
17 4061 1 1 12 CYS N N 4.237 -1.059 3.246 1.00 . A A . 12 CYS N 1 1
17 4062 1 1 12 CYS O O 1.978 0.259 2.353 1.00 . A A . 12 CYS O 1 1
17 4063 1 1 12 CYS SG S 2.365 1.442 5.738 1.00 . A A . 12 CYS SG 1 1
17 4064 1 1 13 ABA C C -0.409 -1.495 1.679 1.00 . A A . 13 ABA C 1 1
17 4065 1 1 13 ABA CA C -0.457 -0.856 3.056 1.00 . A A . 13 ABA CA 1 1
17 4066 1 1 13 ABA CB C -1.646 -1.458 3.831 1.00 . A A . 13 ABA CB 1 1
17 4067 1 1 13 ABA CG C -1.452 -1.305 5.333 1.00 . A A . 13 ABA CG 1 1
17 4068 1 1 13 ABA H H 0.840 -1.658 4.526 1.00 . A A . 13 ABA H 1 1
17 4069 1 1 13 ABA HA H -0.626 0.208 2.930 1.00 . A A . 13 ABA HA 1 1
17 4070 1 1 13 ABA HB3 H -1.696 -2.515 3.601 1.00 . A A . 13 ABA HB3 1 1
17 4071 1 1 13 ABA HG1 H -2.415 -1.241 5.817 1.00 . A A . 13 ABA HG1 1 1
17 4072 1 1 13 ABA HG2 H -0.888 -0.406 5.535 1.00 . A A . 13 ABA HG2 1 1
17 4073 1 1 13 ABA HG3 H -0.914 -2.159 5.716 1.00 . A A . 13 ABA HG3 1 1
17 4074 1 1 13 ABA N N 0.802 -1.032 3.770 1.00 . A A . 13 ABA N 1 1
17 4075 1 1 13 ABA O O -1.038 -1.005 0.747 1.00 . A A . 13 ABA O 1 1
17 4076 1 1 14 LEU C C -0.845 -4.043 -0.048 1.00 . A A . 14 LEU C 1 1
17 4077 1 1 14 LEU CA C 0.440 -3.284 0.294 1.00 . A A . 14 LEU CA 1 1
17 4078 1 1 14 LEU CB C 1.641 -4.230 0.352 1.00 . A A . 14 LEU CB 1 1
17 4079 1 1 14 LEU CD1 C 1.893 -4.473 -2.125 1.00 . A A . 14 LEU CD1 1 1
17 4080 1 1 14 LEU CD2 C 2.918 -6.159 -0.582 1.00 . A A . 14 LEU CD2 1 1
17 4081 1 1 14 LEU CG C 1.751 -5.210 -0.802 1.00 . A A . 14 LEU CG 1 1
17 4082 1 1 14 LEU H H 0.782 -2.957 2.337 1.00 . A A . 14 LEU H 1 1
17 4083 1 1 14 LEU HA H 0.618 -2.542 -0.472 1.00 . A A . 14 LEU HA 1 1
17 4084 1 1 14 LEU HB2 H 2.540 -3.633 0.376 1.00 . A A . 14 LEU HB2 1 1
17 4085 1 1 14 LEU HB3 H 1.580 -4.794 1.271 1.00 . A A . 14 LEU HB3 1 1
17 4086 1 1 14 LEU HD11 H 2.926 -4.187 -2.269 1.00 . A A . 14 LEU HD11 1 1
17 4087 1 1 14 LEU HD12 H 1.274 -3.587 -2.111 1.00 . A A . 14 LEU HD12 1 1
17 4088 1 1 14 LEU HD13 H 1.582 -5.119 -2.933 1.00 . A A . 14 LEU HD13 1 1
17 4089 1 1 14 LEU HD21 H 3.837 -5.678 -0.882 1.00 . A A . 14 LEU HD21 1 1
17 4090 1 1 14 LEU HD22 H 2.772 -7.054 -1.169 1.00 . A A . 14 LEU HD22 1 1
17 4091 1 1 14 LEU HD23 H 2.975 -6.420 0.466 1.00 . A A . 14 LEU HD23 1 1
17 4092 1 1 14 LEU HG H 0.844 -5.790 -0.835 1.00 . A A . 14 LEU HG 1 1
17 4093 1 1 14 LEU N N 0.317 -2.594 1.556 1.00 . A A . 14 LEU N 1 1
17 4094 1 1 14 LEU O O -1.009 -5.214 0.299 1.00 . A A . 14 LEU O 1 1
17 4095 1 1 15 ABA C C -4.204 -3.193 -0.477 1.00 . A A . 15 ABA C 1 1
17 4096 1 1 15 ABA CA C -3.041 -3.948 -1.095 1.00 . A A . 15 ABA CA 1 1
17 4097 1 1 15 ABA CB C -3.220 -3.972 -2.639 1.00 . A A . 15 ABA CB 1 1
17 4098 1 1 15 ABA CG C -1.948 -3.524 -3.342 1.00 . A A . 15 ABA CG 1 1
17 4099 1 1 15 ABA H H -1.617 -2.395 -0.868 1.00 . A A . 15 ABA H 1 1
17 4100 1 1 15 ABA HA H -3.056 -4.968 -0.736 1.00 . A A . 15 ABA HA 1 1
17 4101 1 1 15 ABA HB3 H -4.007 -3.285 -2.900 1.00 . A A . 15 ABA HB3 1 1
17 4102 1 1 15 ABA HG1 H -2.071 -3.631 -4.410 1.00 . A A . 15 ABA HG1 1 1
17 4103 1 1 15 ABA HG2 H -1.120 -4.132 -3.012 1.00 . A A . 15 ABA HG2 1 1
17 4104 1 1 15 ABA HG3 H -1.750 -2.490 -3.104 1.00 . A A . 15 ABA HG3 1 1
17 4105 1 1 15 ABA N N -1.772 -3.350 -0.695 1.00 . A A . 15 ABA N 1 1
17 4106 1 1 15 ABA O O -4.034 -2.065 -0.007 1.00 . A A . 15 ABA O 1 1
17 4107 1 1 16 DHA C C -6.569 -2.657 1.273 1.00 . A A . 16 DHA C 1 1
17 4108 1 1 16 DHA CA C -6.504 -3.175 -0.040 1.00 . A A . 16 DHA CA 1 1
17 4109 1 1 16 DHA CB C -7.560 -3.038 -0.845 1.00 . A A . 16 DHA CB 1 1
17 4110 1 1 16 DHA H H -5.402 -4.700 -0.927 1.00 . A A . 16 DHA H 1 1
17 4111 1 1 16 DHA HB1 H -7.524 -3.426 -1.852 1.00 . A A . 16 DHA HB1 1 1
17 4112 1 1 16 DHA HB2 H -8.449 -2.540 -0.489 1.00 . A A . 16 DHA HB2 1 1
17 4113 1 1 16 DHA N N -5.382 -3.806 -0.509 1.00 . A A . 16 DHA N 1 1
17 4114 1 1 16 DHA O O -7.354 -1.752 1.551 1.00 . A A . 16 DHA O 1 1
17 4115 1 1 17 GLU C C -5.291 -1.202 3.544 1.00 . A A . 17 GLU C 1 1
17 4116 1 1 17 GLU CA C -5.649 -2.687 3.519 1.00 . A A . 17 GLU CA 1 1
17 4117 1 1 17 GLU CB C -4.616 -3.484 4.311 1.00 . A A . 17 GLU CB 1 1
17 4118 1 1 17 GLU CD C -5.999 -3.779 6.395 1.00 . A A . 17 GLU CD 1 1
17 4119 1 1 17 GLU CG C -4.696 -3.282 5.813 1.00 . A A . 17 GLU CG 1 1
17 4120 1 1 17 GLU H H -5.087 -3.865 1.856 1.00 . A A . 17 GLU H 1 1
17 4121 1 1 17 GLU HA H -6.622 -2.819 3.968 1.00 . A A . 17 GLU HA 1 1
17 4122 1 1 17 GLU HB2 H -4.754 -4.535 4.103 1.00 . A A . 17 GLU HB2 1 1
17 4123 1 1 17 GLU HB3 H -3.629 -3.190 3.986 1.00 . A A . 17 GLU HB3 1 1
17 4124 1 1 17 GLU HG2 H -3.884 -3.818 6.279 1.00 . A A . 17 GLU HG2 1 1
17 4125 1 1 17 GLU HG3 H -4.603 -2.228 6.025 1.00 . A A . 17 GLU HG3 1 1
17 4126 1 1 17 GLU N N -5.713 -3.168 2.149 1.00 . A A . 17 GLU N 1 1
17 4127 1 1 17 GLU O O -5.721 -0.465 4.432 1.00 . A A . 17 GLU O 1 1
17 4128 1 1 17 GLU OE1 O -7.043 -3.138 6.163 1.00 . A A . 17 GLU OE1 1 1
17 4129 1 1 17 GLU OE2 O -5.986 -4.828 7.070 1.00 . A A . 17 GLU OE2 1 1
17 4130 1 1 18 CYS C C -4.172 1.108 0.962 1.00 . A A . 18 CYS C 1 1
17 4131 1 1 18 CYS CA C -4.194 0.649 2.417 1.00 . A A . 18 CYS CA 1 1
17 4132 1 1 18 CYS CB C -2.819 0.928 3.014 1.00 . A A . 18 CYS CB 1 1
17 4133 1 1 18 CYS H H -4.285 -1.379 1.819 1.00 . A A . 18 CYS H 1 1
17 4134 1 1 18 CYS HA H -4.933 1.224 2.956 1.00 . A A . 18 CYS HA 1 1
17 4135 1 1 18 CYS HB2 H -2.085 0.679 2.269 1.00 . A A . 18 CYS HB2 1 1
17 4136 1 1 18 CYS HB3 H -2.745 1.980 3.227 1.00 . A A . 18 CYS HB3 1 1
17 4137 1 1 18 CYS N N -4.548 -0.757 2.533 1.00 . A A . 18 CYS N 1 1
17 4138 1 1 18 CYS O O -5.040 1.863 0.528 1.00 . A A . 18 CYS O 1 1
17 4139 1 1 18 CYS SG S -2.431 0.013 4.522 1.00 . A A . 18 CYS SG 1 1
17 4140 1 1 19 ILE C C -3.787 0.995 -2.065 1.00 . A A . 19 ILE C 1 1
17 4141 1 1 19 ILE CA C -2.764 1.427 -1.002 1.00 . A A . 19 ILE CA 1 1
17 4142 1 1 19 ILE CB C -1.314 1.106 -1.469 1.00 . A A . 19 ILE CB 1 1
17 4143 1 1 19 ILE CD1 C -1.213 2.197 -3.779 1.00 . A A . 19 ILE CD1 1 1
17 4144 1 1 19 ILE CG1 C -0.750 2.231 -2.344 1.00 . A A . 19 ILE CG1 1 1
17 4145 1 1 19 ILE CG2 C -1.238 -0.225 -2.206 1.00 . A A . 19 ILE CG2 1 1
17 4146 1 1 19 ILE H H -2.331 0.344 0.751 1.00 . A A . 19 ILE H 1 1
17 4147 1 1 19 ILE HA H -2.828 2.492 -0.861 1.00 . A A . 19 ILE HA 1 1
17 4148 1 1 19 ILE HB H -0.699 1.022 -0.593 1.00 . A A . 19 ILE HB 1 1
17 4149 1 1 19 ILE HD11 H -1.849 3.046 -3.971 1.00 . A A . 19 ILE HD11 1 1
17 4150 1 1 19 ILE HD12 H -1.765 1.285 -3.947 1.00 . A A . 19 ILE HD12 1 1
17 4151 1 1 19 ILE HD13 H -0.356 2.228 -4.436 1.00 . A A . 19 ILE HD13 1 1
17 4152 1 1 19 ILE HG12 H -1.049 3.181 -1.929 1.00 . A A . 19 ILE HG12 1 1
17 4153 1 1 19 ILE HG13 H 0.329 2.169 -2.342 1.00 . A A . 19 ILE HG13 1 1
17 4154 1 1 19 ILE HG21 H -0.453 -0.180 -2.945 1.00 . A A . 19 ILE HG21 1 1
17 4155 1 1 19 ILE HG22 H -2.182 -0.420 -2.693 1.00 . A A . 19 ILE HG22 1 1
17 4156 1 1 19 ILE HG23 H -1.026 -1.014 -1.501 1.00 . A A . 19 ILE HG23 1 1
17 4157 1 1 19 ILE N N -3.049 0.831 0.292 1.00 . A A . 19 ILE N 1 1
17 4158 1 1 19 ILE O O -4.127 1.761 -2.967 1.00 . A A . 19 ILE O 1 1
17 4159 1 1 20 TEE CA C -5.202 -0.688 -2.844 1.00 . A A . 20 TEE CA 1 1
17 4160 1 1 20 TEE CB C -4.904 -1.832 -3.610 1.00 . A A . 20 TEE CB 1 1
17 4161 1 1 20 TEE HA H -5.385 -1.549 -2.219 1.00 . A A . 20 TEE HA 1 1
17 4162 1 1 20 TEE HB2 H -5.702 -2.390 -4.079 1.00 . A A . 20 TEE HB2 1 1
17 4163 1 1 20 TEE HN1 H -3.982 -0.751 -1.160 1.00 . A A . 20 TEE HN1 1 1
17 4164 1 1 20 TEE N N -4.292 -0.224 -1.931 1.00 . A A . 20 TEE N 1 1
17 4165 1 1 20 TEE SG S -4.643 -3.618 -3.696 1.00 . A A . 20 TEE SG 1 1
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