NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
387782 |
1mqx   |
5581 | cing | 4-filtered-FRED | STAR | entry | full | 117 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1mqx
# This FRED archive file contains, for PDB entry <1mqx>:
#
# - 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_1mqx
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1mqx
_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 2 . OR 1 1
57 2 . 3 . 1 1
57 3 . . . 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
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 . HB1 1 1
2 1 1 1 1 1 CYS QB . 1 . HB1 1 1
2 1 2 1 1 2 ABA HG1 . 2 . HG2% 1 1
3 1 1 1 1 2 ABA HA . 2 . HA 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 3 PHE H . 3 . HN 1 1
5 1 1 1 1 2 ABA HG1 . 2 . HG2% 1 1
5 1 2 1 1 3 PHE H . 3 . HN 1 1
6 1 1 1 1 2 ABA HG1 . 2 . HG2% 1 1
6 1 2 1 1 3 PHE HA . 3 . HA 1 1
7 1 1 1 1 3 PHE H . 3 . HN 1 1
7 1 2 1 1 3 PHE HA . 3 . HA 1 1
8 1 1 1 1 3 PHE H . 3 . HN 1 1
8 1 2 1 1 3 PHE HB2 . 3 . HB2 1 1
9 1 1 1 1 3 PHE H . 3 . HN 1 1
9 1 2 1 1 3 PHE HB3 . 3 . HB1 1 1
10 1 1 1 1 3 PHE HA . 3 . HA 1 1
10 1 2 1 1 3 PHE HB2 . 3 . HB2 1 1
11 1 1 1 1 3 PHE HA . 3 . HA 1 1
11 1 2 1 1 3 PHE HB3 . 3 . HB1 1 1
12 1 1 1 1 3 PHE HA . 3 . HA 1 1
12 1 2 1 1 3 PHE QD . 3 . HD% 1 1
13 1 1 1 1 3 PHE HA . 3 . HA 1 1
13 1 2 1 1 3 PHE QE . 3 . HE% 1 1
14 1 1 1 1 3 PHE HA . 3 . HA 1 1
14 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
15 1 1 1 1 3 PHE QD . 3 . HD% 1 1
15 1 2 1 1 4 ABA HA . 4 . HA 1 1
16 1 1 1 1 3 PHE QD . 3 . HD% 1 1
16 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
17 1 1 1 1 3 PHE QD . 3 . HD% 1 1
17 1 2 1 1 13 ABA HG1 . 13 . HG2% 1 1
18 1 1 1 1 3 PHE QE . 3 . HE% 1 1
18 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
19 1 1 1 1 3 PHE HZ . 3 . HZ 1 1
19 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
20 1 1 1 1 3 PHE HZ . 3 . HZ 1 1
20 1 2 1 1 13 ABA HG1 . 13 . HG2% 1 1
21 1 1 1 1 4 ABA HA . 4 . HA 1 1
21 1 2 1 1 4 ABA HG1 . 4 . HG2% 1 1
22 1 1 1 1 4 ABA HA . 4 . HA 1 1
22 1 2 1 1 11 VAL QG . 11 . HG1% 1 1
23 1 1 1 1 4 ABA HA . 4 . HA 1 1
23 1 2 1 1 12 CYS QB . 12 . HB2 1 1
24 1 1 1 1 4 ABA HG1 . 4 . HG2% 1 1
24 1 2 1 1 12 CYS HA . 12 . HA 1 1
25 1 1 1 1 4 ABA HG1 . 4 . HG2% 1 1
25 1 2 1 1 12 CYS QB . 12 . HB1 1 1
26 1 1 1 1 4 ABA HG1 . 4 . HG2% 1 1
26 1 2 1 1 13 ABA HG1 . 13 . HG2% 1 1
27 1 1 1 1 5 LEU H . 5 . HN 1 1
27 1 2 1 1 5 LEU HB3 . 5 . HB1 1 1
28 1 1 1 1 5 LEU H . 5 . HN 1 1
28 1 2 1 1 5 LEU QD . 5 . HD1% 1 1
29 1 1 1 1 5 LEU H . 5 . HN 1 1
29 1 2 1 1 5 LEU HG . 5 . HG 1 1
30 1 1 1 1 5 LEU HA . 5 . HA 1 1
30 1 2 1 1 5 LEU HB3 . 5 . HB1 1 1
31 1 1 1 1 5 LEU HA . 5 . HA 1 1
31 1 2 1 1 5 LEU HG . 5 . HG 1 1
32 1 1 1 1 5 LEU HB2 . 5 . HB2 1 1
32 1 2 1 1 5 LEU QD . 5 . HD1% 1 1
33 1 1 1 1 5 LEU HB3 . 5 . HB1 1 1
33 1 2 1 1 5 LEU QD . 5 . HD1% 1 1
34 1 1 1 1 5 LEU HB3 . 5 . HB1 1 1
34 1 2 1 1 6 PRO QD . 6 . HD2 1 1
35 1 1 1 1 5 LEU HG . 5 . HG 1 1
35 1 2 1 1 6 PRO QD . 6 . HD2 1 1
36 1 1 1 1 6 PRO HA . 6 . HA 1 1
36 1 2 1 1 6 PRO HB2 . 6 . HB2 1 1
37 1 1 1 1 6 PRO HA . 6 . HA 1 1
37 1 2 1 1 6 PRO HB3 . 6 . HB1 1 1
38 1 1 1 1 6 PRO HA . 6 . HA 1 1
38 1 2 1 1 7 GLY H . 7 . HN 1 1
39 1 1 1 1 6 PRO HB2 . 6 . HB2 1 1
39 1 2 1 1 6 PRO QD . 6 . HD2 1 1
40 1 1 1 1 6 PRO HB2 . 6 . HB2 1 1
40 1 2 1 1 6 PRO HG3 . 6 . HG1 1 1
41 1 1 1 1 6 PRO HB2 . 6 . HB2 1 1
41 1 2 1 1 7 GLY H . 7 . HN 1 1
42 1 1 1 1 6 PRO HB2 . 6 . HB2 1 1
42 1 2 1 1 11 VAL HA . 11 . HA 1 1
43 1 1 1 1 6 PRO HB3 . 6 . HB1 1 1
43 1 2 1 1 6 PRO QD . 6 . HD2 1 1
44 1 1 1 1 6 PRO HB3 . 6 . HB1 1 1
44 1 2 1 1 7 GLY H . 7 . HN 1 1
45 1 1 1 1 6 PRO HB3 . 6 . HB1 1 1
45 1 2 1 1 11 VAL HA . 11 . HA 1 1
46 1 1 1 1 6 PRO QD . 6 . HD2 1 1
46 1 2 1 1 6 PRO HG3 . 6 . HG1 1 1
47 1 1 1 1 6 PRO QD . 6 . HD2 1 1
47 1 2 1 1 12 CYS HA . 12 . HA 1 1
48 1 1 1 1 6 PRO HG2 . 6 . HG2 1 1
48 1 2 1 1 7 GLY HA3 . 7 . HA1 1 1
49 1 1 1 1 6 PRO HG2 . 6 . HG2 1 1
49 1 2 1 1 10 GLY H . 10 . HN 1 1
50 1 1 1 1 6 PRO HG2 . 6 . HG2 1 1
50 1 2 1 1 12 CYS H . 12 . HN 1 1
51 1 1 1 1 6 PRO HG3 . 6 . HG1 1 1
51 1 2 1 1 12 CYS H . 12 . HN 1 1
52 1 1 1 1 6 PRO HG3 . 6 . HG1 1 1
52 1 2 1 1 12 CYS HA . 12 . HA 1 1
53 1 1 1 1 7 GLY H . 7 . HN 1 1
53 1 2 1 1 7 GLY HA2 . 7 . HA2 1 1
54 1 1 1 1 8 GLY HA2 . 8 . HA2 1 1
54 1 2 1 1 9 GLY H . 9 . HN 1 1
55 1 1 1 1 9 GLY HA2 . 9 . HA2 1 1
55 1 2 1 1 10 GLY H . 10 . HN 1 1
56 1 1 1 1 9 GLY HA3 . 9 . HA1 1 1
56 1 2 1 1 10 GLY H . 10 . HN 1 1
57 2 1 1 1 10 GLY QA . 10 . HA2 1 1
57 2 2 1 1 11 VAL MG1 . 11 . HG1% 1 1
57 3 1 1 1 10 GLY HA3 . 10 . HA1 1 1
57 3 2 1 1 11 VAL MG2 . 11 . HG2% 1 1
58 1 1 1 1 10 GLY QA . 10 . HA2 1 1
58 1 2 1 1 11 VAL H . 11 . HN 1 1
59 1 1 1 1 11 VAL H . 11 . HN 1 1
59 1 2 1 1 11 VAL HA . 11 . HA 1 1
60 1 1 1 1 11 VAL H . 11 . HN 1 1
60 1 2 1 1 11 VAL HB . 11 . HB 1 1
61 1 1 1 1 11 VAL H . 11 . HN 1 1
61 1 2 1 1 11 VAL QG . 11 . HG1% 1 1
62 1 1 1 1 11 VAL H . 11 . HN 1 1
62 1 2 1 1 12 CYS H . 12 . HN 1 1
63 1 1 1 1 11 VAL HA . 11 . HA 1 1
63 1 2 1 1 11 VAL HB . 11 . HB 1 1
64 1 1 1 1 11 VAL HA . 11 . HA 1 1
64 1 2 1 1 11 VAL QG . 11 . HG1% 1 1
65 1 1 1 1 11 VAL HA . 11 . HA 1 1
65 1 2 1 1 12 CYS H . 12 . HN 1 1
66 1 1 1 1 11 VAL HB . 11 . HB 1 1
66 1 2 1 1 11 VAL MG1 . 11 . HG1% 1 1
67 1 1 1 1 11 VAL HB . 11 . HB 1 1
67 1 2 1 1 11 VAL MG2 . 11 . HG2% 1 1
68 1 1 1 1 11 VAL HB . 11 . HB 1 1
68 1 2 1 1 14 LEU H . 14 . HN 1 1
69 1 1 1 1 11 VAL HB . 11 . HB 1 1
69 1 2 1 1 14 LEU QB . 14 . HB2 1 1
70 1 1 1 1 11 VAL QG . 11 . HG1% 1 1
70 1 2 1 1 12 CYS H . 12 . HN 1 1
71 1 1 1 1 11 VAL QG . 11 . HG1% 1 1
71 1 2 1 1 12 CYS HA . 12 . HA 1 1
72 1 1 1 1 12 CYS H . 12 . HN 1 1
72 1 2 1 1 12 CYS HA . 12 . HA 1 1
73 1 1 1 1 12 CYS H . 12 . HN 1 1
73 1 2 1 1 12 CYS QB . 12 . HB2 1 1
74 1 1 1 1 12 CYS HA . 12 . HA 1 1
74 1 2 1 1 12 CYS QB . 12 . HB1 1 1
75 1 1 1 1 12 CYS HA . 12 . HA 1 1
75 1 2 1 1 13 ABA HG1 . 13 . HG2% 1 1
76 1 1 1 1 12 CYS HA . 12 . HA 1 1
76 1 2 1 1 14 LEU H . 14 . HN 1 1
77 1 1 1 1 12 CYS QB . 12 . HB2 1 1
77 1 2 1 1 13 ABA HG1 . 13 . HG2% 1 1
78 1 1 1 1 13 ABA HA . 13 . HA 1 1
78 1 2 1 1 14 LEU H . 14 . HN 1 1
79 1 1 1 1 13 ABA HA . 13 . HA 1 1
79 1 2 1 1 19 ILE HA . 19 . HA 1 1
80 1 1 1 1 13 ABA HG1 . 13 . HG2% 1 1
80 1 2 1 1 18 CYS HB3 . 18 . HB1 1 1
81 1 1 1 1 14 LEU H . 14 . HN 1 1
81 1 2 1 1 14 LEU HA . 14 . HA 1 1
82 1 1 1 1 14 LEU H . 14 . HN 1 1
82 1 2 1 1 14 LEU QB . 14 . HB1 1 1
83 1 1 1 1 14 LEU H . 14 . HN 1 1
83 1 2 1 1 14 LEU QD . 14 . HD1% 1 1
84 1 1 1 1 14 LEU HA . 14 . HA 1 1
84 1 2 1 1 14 LEU QB . 14 . HB1 1 1
85 1 1 1 1 14 LEU HA . 14 . HA 1 1
85 1 2 1 1 14 LEU MD1 . 14 . HD1% 1 1
86 1 1 1 1 14 LEU HA . 14 . HA 1 1
86 1 2 1 1 14 LEU MD2 . 14 . HD2% 1 1
87 1 1 1 1 14 LEU QB . 14 . HB1 1 1
87 1 2 1 1 14 LEU QD . 14 . HD1% 1 1
88 1 1 1 1 14 LEU QB . 14 . HB1 1 1
88 1 2 1 1 15 ABA HG1 . 15 . HG2% 1 1
89 1 1 1 1 14 LEU QD . 14 . HD1% 1 1
89 1 2 1 1 17 GLU HA . 17 . HA 1 1
90 1 1 1 1 15 ABA HA . 15 . HA 1 1
90 1 2 1 1 15 ABA HG1 . 15 . HG2% 1 1
91 1 1 1 1 17 GLU H . 17 . HN 1 1
91 1 2 1 1 17 GLU HB2 . 17 . HB2 1 1
92 1 1 1 1 17 GLU H . 17 . HN 1 1
92 1 2 1 1 17 GLU HB3 . 17 . HB1 1 1
93 1 1 1 1 17 GLU H . 17 . HN 1 1
93 1 2 1 1 17 GLU QG . 17 . HG2 1 1
94 1 1 1 1 17 GLU H . 17 . HN 1 1
94 1 2 1 1 18 CYS H . 18 . HN 1 1
95 1 1 1 1 17 GLU HA . 17 . HA 1 1
95 1 2 1 1 17 GLU HB2 . 17 . HB2 1 1
96 1 1 1 1 17 GLU HA . 17 . HA 1 1
96 1 2 1 1 17 GLU HB3 . 17 . HB1 1 1
97 1 1 1 1 17 GLU HA . 17 . HA 1 1
97 1 2 1 1 18 CYS H . 18 . HN 1 1
98 1 1 1 1 17 GLU HB2 . 17 . HB2 1 1
98 1 2 1 1 17 GLU QG . 17 . HG2 1 1
99 1 1 1 1 17 GLU HB2 . 17 . HB2 1 1
99 1 2 1 1 18 CYS H . 18 . HN 1 1
100 1 1 1 1 17 GLU HB3 . 17 . HB1 1 1
100 1 2 1 1 17 GLU QG . 17 . HG2 1 1
101 1 1 1 1 17 GLU HB3 . 17 . HB1 1 1
101 1 2 1 1 18 CYS H . 18 . HN 1 1
102 1 1 1 1 17 GLU QG . 17 . HG2 1 1
102 1 2 1 1 18 CYS H . 18 . HN 1 1
103 1 1 1 1 18 CYS H . 18 . HN 1 1
103 1 2 1 1 18 CYS HB2 . 18 . HB2 1 1
104 1 1 1 1 18 CYS H . 18 . HN 1 1
104 1 2 1 1 18 CYS HB3 . 18 . HB1 1 1
105 1 1 1 1 18 CYS H . 18 . HN 1 1
105 1 2 1 1 19 ILE H . 19 . HN 1 1
106 1 1 1 1 18 CYS HA . 18 . HA 1 1
106 1 2 1 1 18 CYS HB2 . 18 . HB2 1 1
107 1 1 1 1 18 CYS HA . 18 . HA 1 1
107 1 2 1 1 18 CYS HB3 . 18 . HB1 1 1
108 1 1 1 1 18 CYS HB2 . 18 . HB2 1 1
108 1 2 1 1 19 ILE H . 19 . HN 1 1
109 1 1 1 1 18 CYS HB2 . 18 . HB2 1 1
109 1 2 1 1 19 ILE HA . 19 . HA 1 1
110 1 1 1 1 18 CYS HB2 . 18 . HB2 1 1
110 1 2 1 1 19 ILE QG . 19 . HG12 1 1
110 1 2 1 1 19 ILE MG . 19 . HG2% 1 1
111 1 1 1 1 18 CYS HB3 . 18 . HB1 1 1
111 1 2 1 1 19 ILE H . 19 . HN 1 1
112 1 1 1 1 18 CYS HB3 . 18 . HB1 1 1
112 1 2 1 1 19 ILE HA . 19 . HA 1 1
113 1 1 1 1 19 ILE H . 19 . HN 1 1
113 1 2 1 1 19 ILE HA . 19 . HA 1 1
114 1 1 1 1 19 ILE H . 19 . HN 1 1
114 1 2 1 1 19 ILE HB . 19 . HB 1 1
115 1 1 1 1 19 ILE H . 19 . HN 1 1
115 1 2 1 1 19 ILE QG . 19 . HG12 1 1
115 1 2 1 1 19 ILE MG . 19 . HG2% 1 1
116 1 1 1 1 19 ILE HA . 19 . HA 1 1
116 1 2 1 1 19 ILE QG . 19 . HG12 1 1
116 1 2 1 1 19 ILE MG . 19 . HG2% 1 1
117 1 1 1 1 19 ILE HG13 . 19 . HG11 1 1
117 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 . . . . . 3.1 1.9 3.8 1 1
2 1 . . . . . 2.6 2.0 3.4 1 1
3 1 . . . . . 2.6 1.8 3.4 1 1
4 1 . . . . . 2.7 1.8 3.6 1 1
5 1 . . . . . 5.2 1.9 6.0 1 1
6 1 . . . . . 5.9 1.5 6.0 1 1
7 1 . . . . . 2.8 1.8 3.8 1 1
8 1 . . . . . 3.6 2.0 5.2 1 1
9 1 . . . . . 3.6 2.0 5.2 1 1
10 1 . . . . . 2.2 1.6 2.8 1 1
11 1 . . . . . 2.9 1.9 3.9 1 1
12 1 . . . . . 3.2 1.9 4.5 1 1
13 1 . . . . . 5.5 1.8 6.0 1 1
14 1 . . . . . 4.7 1.9 6.0 1 1
15 1 . . . . . 4.8 1.9 6.0 1 1
16 1 . . . . . 3.4 1.9 4.9 1 1
17 1 . . . . . 4.0 2.0 6.0 1 1
18 1 . . . . . 3.1 1.9 4.3 1 1
19 1 . . . . . 3.7 2.0 5.4 1 1
20 1 . . . . . 4.3 2.0 6.0 1 1
21 1 . . . . . 2.4 1.7 3.1 1 1
22 1 . . . . . 5.0 1.9 6.0 1 1
23 1 . . . . . 4.4 2.0 6.0 1 1
24 1 . . . . . 3.8 2.0 5.6 1 1
25 1 . . . . . 4.3 2.0 6.0 1 1
26 1 . . . . . 3.9 2.0 5.8 1 1
27 1 . . . . . 3.6 2.0 5.2 1 1
28 1 . . . . . 3.5 1.9 5.1 1 1
29 1 . . . . . 2.7 1.8 3.6 1 1
30 1 . . . . . 2.5 1.7 3.3 1 1
31 1 . . . . . 3.0 1.9 4.1 1 1
32 1 . . . . . 2.7 1.8 3.6 1 1
33 1 . . . . . 2.2 1.6 2.8 1 1
34 1 . . . . . 3.8 2.0 5.6 1 1
35 1 . . . . . 4.3 2.0 6.0 1 1
36 1 . . . . . 2.5 1.7 3.3 1 1
37 1 . . . . . 2.5 1.7 3.3 1 1
38 1 . . . . . 3.1 1.9 4.3 1 1
39 1 . . . . . 3.7 2.0 5.4 1 1
40 1 . . . . . 2.9 1.8 4.0 1 1
41 1 . . . . . 2.6 1.7 3.5 1 1
42 1 . . . . . 5.6 1.7 6.0 1 1
43 1 . . . . . 3.8 2.0 5.6 1 1
44 1 . . . . . 2.9 1.9 3.9 1 1
45 1 . . . . . 5.6 1.7 6.0 1 1
46 1 . . . . . 2.3 1.7 2.9 1 1
47 1 . . . . . 4.0 2.0 6.0 1 1
48 1 . . . . . 6.0 1.3 6.0 1 1
49 1 . . . . . 4.1 2.0 6.0 1 1
50 1 . . . . . 5.2 1.9 6.0 1 1
51 1 . . . . . 5.0 1.9 6.0 1 1
52 1 . . . . . 4.3 2.0 6.0 1 1
53 1 . . . . . 2.8 1.8 3.8 1 1
54 1 . . . . . 3.6 2.0 5.2 1 1
55 1 . . . . . 3.4 1.9 4.9 1 1
56 1 . . . . . 3.2 1.9 4.5 1 1
57 2 . . . . . 4.6 2.0 6.0 1 1
57 3 . . . . . 4.6 2.0 6.0 1 1
58 1 . . . . . 2.6 1.8 3.4 1 1
59 1 . . . . . 2.8 1.8 3.8 1 1
60 1 . . . . . 2.9 1.9 3.9 1 1
61 1 . . . . . 2.9 1.9 3.9 1 1
62 1 . . . . . 5.0 1.9 6.0 1 1
63 1 . . . . . 3.0 1.9 4.1 1 1
64 1 . . . . . 2.3 1.6 3.0 1 1
65 1 . . . . . 2.0 1.5 2.5 1 1
66 1 . . . . . 2.2 1.6 2.8 1 1
67 1 . . . . . 2.1 1.6 2.6 1 1
68 1 . . . . . 4.1 2.0 6.0 1 1
69 1 . . . . . 3.6 1.9 5.3 1 1
70 1 . . . . . 2.6 1.8 3.4 1 1
71 1 . . . . . 4.7 1.9 6.0 1 1
72 1 . . . . . 2.5 1.7 3.3 1 1
73 1 . . . . . . 1.9 2.3 1 1
74 1 . . . . . 2.1 1.6 2.7 1 1
75 1 . . . . . 4.7 1.9 6.0 1 1
76 1 . . . . . 3.5 2.0 5.0 1 1
77 1 . . . . . 4.6 1.9 6.0 1 1
78 1 . . . . . 2.3 1.6 3.0 1 1
79 1 . . . . . 4.1 2.0 6.0 1 1
80 1 . . . . . 3.6 2.0 5.2 1 1
81 1 . . . . . 2.5 1.7 3.3 1 1
82 1 . . . . . 3.6 2.0 3.6 1 1
83 1 . . . . . 4.0 2.0 6.0 1 1
84 1 . . . . . 2.9 1.9 3.9 1 1
85 1 . . . . . 3.1 1.9 4.3 1 1
86 1 . . . . . 3.2 1.9 4.5 1 1
87 1 . . . . . 3.0 1.9 4.1 1 1
88 1 . . . . . 4.0 2.0 6.0 1 1
89 1 . . . . . 4.3 2.0 6.0 1 1
90 1 . . . . . 2.5 1.7 3.3 1 1
91 1 . . . . . 2.9 1.9 3.9 1 1
92 1 . . . . . 2.7 1.8 3.6 1 1
93 1 . . . . . 3.9 2.0 5.8 1 1
94 1 . . . . . 2.1 1.6 2.6 1 1
95 1 . . . . . 3.0 1.9 4.1 1 1
96 1 . . . . . 2.9 1.8 4.0 1 1
97 1 . . . . . 3.8 2.0 5.6 1 1
98 1 . . . . . 2.1 1.5 2.7 1 1
99 1 . . . . . 4.7 2.0 6.0 1 1
100 1 . . . . . 1.9 1.4 2.4 1 1
101 1 . . . . . 3.8 2.0 5.6 1 1
102 1 . . . . . 5.2 1.8 6.0 1 1
103 1 . . . . . 2.8 1.8 3.8 1 1
104 1 . . . . . 3.4 2.0 4.8 1 1
105 1 . . . . . 3.7 2.0 5.4 1 1
106 1 . . . . . 2.9 1.9 3.9 1 1
107 1 . . . . . 2.9 1.8 4.0 1 1
108 1 . . . . . 1.7 1.3 2.2 1 1
109 1 . . . . . 2.9 1.8 4.0 1 1
110 1 . . . . . 4.1 2.0 6.0 1 1
111 1 . . . . . 2.1 1.5 2.7 1 1
112 1 . . . . . 3.4 2.0 4.8 1 1
113 1 . . . . . 2.5 1.7 3.3 1 1
114 1 . . . . . 2.5 1.7 3.3 1 1
115 1 . . . . . 3.2 1.9 4.5 1 1
116 1 . . . . . 3.3 2.0 4.6 1 1
117 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 10.401 4.540 -1.272 1.00 . A A . 1 CYS C 1 1
1 2 1 1 1 CYS CA C 9.633 4.075 -0.034 1.00 . A A . 1 CYS CA 1 1
1 3 1 1 1 CYS CB C 9.403 5.231 0.941 1.00 . A A . 1 CYS CB 1 1
1 4 1 1 1 CYS H1 H 10.494 2.180 0.055 1.00 . A A . 1 CYS H1 1 1
1 5 1 1 1 CYS H2 H 9.923 2.750 1.547 1.00 . A A . 1 CYS H2 1 1
1 6 1 1 1 CYS H3 H 11.357 3.377 0.892 1.00 . A A . 1 CYS H3 1 1
1 7 1 1 1 CYS HA H 8.682 3.666 -0.340 1.00 . A A . 1 CYS HA 1 1
1 8 1 1 1 CYS HB2 H 9.427 4.850 1.949 1.00 . A A . 1 CYS HB2 1 1
1 9 1 1 1 CYS HB3 H 10.195 5.954 0.816 1.00 . A A . 1 CYS HB3 1 1
1 10 1 1 1 CYS N N 10.401 3.022 0.660 1.00 . A A . 1 CYS N 1 1
1 11 1 1 1 CYS O O 11.603 4.297 -1.359 1.00 . A A . 1 CYS O 1 1
1 12 1 1 1 CYS SG S 7.831 6.066 0.686 1.00 . A A . 1 CYS SG 1 1
1 13 1 1 2 ABA C C 7.428 4.141 -2.185 1.00 . A A . 2 ABA C 1 1
1 14 1 1 2 ABA CA C 8.288 5.410 -2.246 1.00 . A A . 2 ABA CA 1 1
1 15 1 1 2 ABA CB C 7.948 6.368 -1.082 1.00 . A A . 2 ABA CB 1 1
1 16 1 1 2 ABA CG C 7.698 7.770 -1.604 1.00 . A A . 2 ABA CG 1 1
1 17 1 1 2 ABA H H 10.234 5.400 -3.069 1.00 . A A . 2 ABA H 1 1
1 18 1 1 2 ABA HA H 8.055 5.923 -3.168 1.00 . A A . 2 ABA HA 1 1
1 19 1 1 2 ABA HB3 H 7.048 6.023 -0.601 1.00 . A A . 2 ABA HB3 1 1
1 20 1 1 2 ABA HG1 H 6.738 8.121 -1.253 1.00 . A A . 2 ABA HG1 1 1
1 21 1 1 2 ABA HG2 H 7.703 7.760 -2.684 1.00 . A A . 2 ABA HG2 1 1
1 22 1 1 2 ABA HG3 H 8.473 8.429 -1.246 1.00 . A A . 2 ABA HG3 1 1
1 23 1 1 2 ABA N N 9.723 5.108 -2.282 1.00 . A A . 2 ABA N 1 1
1 24 1 1 2 ABA O O 7.742 3.145 -2.840 1.00 . A A . 2 ABA O 1 1
1 25 1 1 3 PHE C C 4.424 3.144 -2.586 1.00 . A A . 3 PHE C 1 1
1 26 1 1 3 PHE CA C 5.381 3.093 -1.390 1.00 . A A . 3 PHE CA 1 1
1 27 1 1 3 PHE CB C 4.622 3.108 -0.053 1.00 . A A . 3 PHE CB 1 1
1 28 1 1 3 PHE CD1 C 3.472 5.317 -0.466 1.00 . A A . 3 PHE CD1 1 1
1 29 1 1 3 PHE CD2 C 4.400 4.900 1.691 1.00 . A A . 3 PHE CD2 1 1
1 30 1 1 3 PHE CE1 C 3.044 6.559 -0.043 1.00 . A A . 3 PHE CE1 1 1
1 31 1 1 3 PHE CE2 C 3.973 6.140 2.119 1.00 . A A . 3 PHE CE2 1 1
1 32 1 1 3 PHE CG C 4.153 4.470 0.395 1.00 . A A . 3 PHE CG 1 1
1 33 1 1 3 PHE CZ C 3.299 6.972 1.250 1.00 . A A . 3 PHE CZ 1 1
1 34 1 1 3 PHE H H 6.101 5.032 -0.989 1.00 . A A . 3 PHE H 1 1
1 35 1 1 3 PHE HA H 5.948 2.179 -1.453 1.00 . A A . 3 PHE HA 1 1
1 36 1 1 3 PHE HB2 H 3.754 2.475 -0.131 1.00 . A A . 3 PHE HB2 1 1
1 37 1 1 3 PHE HB3 H 5.270 2.715 0.718 1.00 . A A . 3 PHE HB3 1 1
1 38 1 1 3 PHE HD1 H 3.272 4.995 -1.477 1.00 . A A . 3 PHE HD1 1 1
1 39 1 1 3 PHE HD2 H 4.932 4.250 2.372 1.00 . A A . 3 PHE HD2 1 1
1 40 1 1 3 PHE HE1 H 2.515 7.210 -0.723 1.00 . A A . 3 PHE HE1 1 1
1 41 1 1 3 PHE HE2 H 4.171 6.461 3.131 1.00 . A A . 3 PHE HE2 1 1
1 42 1 1 3 PHE HZ H 2.962 7.942 1.584 1.00 . A A . 3 PHE HZ 1 1
1 43 1 1 3 PHE N N 6.328 4.197 -1.444 1.00 . A A . 3 PHE N 1 1
1 44 1 1 3 PHE O O 4.706 3.801 -3.585 1.00 . A A . 3 PHE O 1 1
1 45 1 1 4 ABA C C 2.158 1.020 -4.071 1.00 . A A . 4 ABA C 1 1
1 46 1 1 4 ABA CA C 2.297 2.442 -3.529 1.00 . A A . 4 ABA CA 1 1
1 47 1 1 4 ABA CB C 0.932 2.962 -3.016 1.00 . A A . 4 ABA CB 1 1
1 48 1 1 4 ABA CG C 0.650 4.345 -3.581 1.00 . A A . 4 ABA CG 1 1
1 49 1 1 4 ABA H H 3.121 1.966 -1.650 1.00 . A A . 4 ABA H 1 1
1 50 1 1 4 ABA HA H 2.633 3.088 -4.323 1.00 . A A . 4 ABA HA 1 1
1 51 1 1 4 ABA HB3 H 0.984 3.042 -1.939 1.00 . A A . 4 ABA HB3 1 1
1 52 1 1 4 ABA HG1 H -0.132 4.817 -3.002 1.00 . A A . 4 ABA HG1 1 1
1 53 1 1 4 ABA HG2 H 0.334 4.257 -4.609 1.00 . A A . 4 ABA HG2 1 1
1 54 1 1 4 ABA HG3 H 1.546 4.945 -3.528 1.00 . A A . 4 ABA HG3 1 1
1 55 1 1 4 ABA N N 3.292 2.468 -2.468 1.00 . A A . 4 ABA N 1 1
1 56 1 1 4 ABA O O 1.312 0.247 -3.628 1.00 . A A . 4 ABA O 1 1
1 57 1 1 5 LEU C C 4.531 -1.315 -4.920 1.00 . A A . 5 LEU C 1 1
1 58 1 1 5 LEU CA C 3.196 -0.735 -5.376 1.00 . A A . 5 LEU CA 1 1
1 59 1 1 5 LEU CB C 3.073 -0.818 -6.903 1.00 . A A . 5 LEU CB 1 1
1 60 1 1 5 LEU CD1 C 1.820 1.208 -7.713 1.00 . A A . 5 LEU CD1 1 1
1 61 1 1 5 LEU CD2 C 1.422 -1.023 -8.781 1.00 . A A . 5 LEU CD2 1 1
1 62 1 1 5 LEU CG C 1.758 -0.296 -7.486 1.00 . A A . 5 LEU CG 1 1
1 63 1 1 5 LEU H H 3.797 1.274 -5.176 1.00 . A A . 5 LEU H 1 1
1 64 1 1 5 LEU HA H 2.394 -1.298 -4.921 1.00 . A A . 5 LEU HA 1 1
1 65 1 1 5 LEU HB2 H 3.882 -0.250 -7.336 1.00 . A A . 5 LEU HB2 1 1
1 66 1 1 5 LEU HB3 H 3.185 -1.852 -7.194 1.00 . A A . 5 LEU HB3 1 1
1 67 1 1 5 LEU HD11 H 2.164 1.408 -8.719 1.00 . A A . 5 LEU HD11 1 1
1 68 1 1 5 LEU HD12 H 2.505 1.653 -7.005 1.00 . A A . 5 LEU HD12 1 1
1 69 1 1 5 LEU HD13 H 0.837 1.636 -7.578 1.00 . A A . 5 LEU HD13 1 1
1 70 1 1 5 LEU HD21 H 0.606 -1.708 -8.607 1.00 . A A . 5 LEU HD21 1 1
1 71 1 1 5 LEU HD22 H 2.287 -1.573 -9.121 1.00 . A A . 5 LEU HD22 1 1
1 72 1 1 5 LEU HD23 H 1.135 -0.305 -9.534 1.00 . A A . 5 LEU HD23 1 1
1 73 1 1 5 LEU HG H 0.969 -0.488 -6.778 1.00 . A A . 5 LEU HG 1 1
1 74 1 1 5 LEU N N 3.096 0.638 -4.919 1.00 . A A . 5 LEU N 1 1
1 75 1 1 5 LEU O O 5.536 -1.206 -5.622 1.00 . A A . 5 LEU O 1 1
1 76 1 1 6 PRO C C 5.980 -3.835 -3.228 1.00 . A A . 6 PRO C 1 1
1 77 1 1 6 PRO CA C 5.817 -2.323 -3.085 1.00 . A A . 6 PRO CA 1 1
1 78 1 1 6 PRO CB C 5.625 -1.929 -1.623 1.00 . A A . 6 PRO CB 1 1
1 79 1 1 6 PRO CD C 3.469 -1.901 -2.725 1.00 . A A . 6 PRO CD 1 1
1 80 1 1 6 PRO CG C 4.152 -2.045 -1.383 1.00 . A A . 6 PRO CG 1 1
1 81 1 1 6 PRO HA H 6.687 -1.823 -3.488 1.00 . A A . 6 PRO HA 1 1
1 82 1 1 6 PRO HB2 H 6.184 -2.601 -0.988 1.00 . A A . 6 PRO HB2 1 1
1 83 1 1 6 PRO HB3 H 5.968 -0.916 -1.473 1.00 . A A . 6 PRO HB3 1 1
1 84 1 1 6 PRO HD2 H 2.843 -2.758 -2.922 1.00 . A A . 6 PRO HD2 1 1
1 85 1 1 6 PRO HD3 H 2.885 -0.993 -2.755 1.00 . A A . 6 PRO HD3 1 1
1 86 1 1 6 PRO HG2 H 3.929 -3.012 -0.954 1.00 . A A . 6 PRO HG2 1 1
1 87 1 1 6 PRO HG3 H 3.830 -1.260 -0.716 1.00 . A A . 6 PRO HG3 1 1
1 88 1 1 6 PRO N N 4.585 -1.837 -3.684 1.00 . A A . 6 PRO N 1 1
1 89 1 1 6 PRO O O 5.406 -4.449 -4.129 1.00 . A A . 6 PRO O 1 1
1 90 1 1 7 GLY C C 7.853 -6.327 -1.238 1.00 . A A . 7 GLY C 1 1
1 91 1 1 7 GLY CA C 6.983 -5.855 -2.380 1.00 . A A . 7 GLY CA 1 1
1 92 1 1 7 GLY H H 7.197 -3.888 -1.642 1.00 . A A . 7 GLY H 1 1
1 93 1 1 7 GLY HA2 H 6.030 -6.362 -2.327 1.00 . A A . 7 GLY HA2 1 1
1 94 1 1 7 GLY HA3 H 7.464 -6.106 -3.313 1.00 . A A . 7 GLY HA3 1 1
1 95 1 1 7 GLY N N 6.759 -4.427 -2.336 1.00 . A A . 7 GLY N 1 1
1 96 1 1 7 GLY O O 9.079 -6.326 -1.342 1.00 . A A . 7 GLY O 1 1
1 97 1 1 8 GLY C C 7.062 -7.756 2.076 1.00 . A A . 8 GLY C 1 1
1 98 1 1 8 GLY CA C 7.966 -7.173 1.012 1.00 . A A . 8 GLY CA 1 1
1 99 1 1 8 GLY H H 6.242 -6.673 -0.105 1.00 . A A . 8 GLY H 1 1
1 100 1 1 8 GLY HA2 H 8.665 -7.933 0.691 1.00 . A A . 8 GLY HA2 1 1
1 101 1 1 8 GLY HA3 H 8.517 -6.346 1.433 1.00 . A A . 8 GLY HA3 1 1
1 102 1 1 8 GLY N N 7.226 -6.706 -0.139 1.00 . A A . 8 GLY N 1 1
1 103 1 1 8 GLY O O 6.647 -8.911 1.976 1.00 . A A . 8 GLY O 1 1
1 104 1 1 9 GLY C C 4.536 -6.765 4.198 1.00 . A A . 9 GLY C 1 1
1 105 1 1 9 GLY CA C 5.892 -7.436 4.161 1.00 . A A . 9 GLY CA 1 1
1 106 1 1 9 GLY H H 7.078 -6.040 3.098 1.00 . A A . 9 GLY H 1 1
1 107 1 1 9 GLY HA2 H 5.750 -8.500 4.045 1.00 . A A . 9 GLY HA2 1 1
1 108 1 1 9 GLY HA3 H 6.397 -7.253 5.099 1.00 . A A . 9 GLY HA3 1 1
1 109 1 1 9 GLY N N 6.730 -6.955 3.078 1.00 . A A . 9 GLY N 1 1
1 110 1 1 9 GLY O O 3.531 -7.406 4.505 1.00 . A A . 9 GLY O 1 1
1 111 1 1 10 GLY C C 2.929 -4.137 2.562 1.00 . A A . 10 GLY C 1 1
1 112 1 1 10 GLY CA C 3.251 -4.748 3.907 1.00 . A A . 10 GLY CA 1 1
1 113 1 1 10 GLY H H 5.335 -5.014 3.665 1.00 . A A . 10 GLY H 1 1
1 114 1 1 10 GLY HA2 H 2.456 -5.423 4.184 1.00 . A A . 10 GLY HA2 1 1
1 115 1 1 10 GLY HA3 H 3.317 -3.960 4.645 1.00 . A A . 10 GLY HA3 1 1
1 116 1 1 10 GLY N N 4.500 -5.480 3.890 1.00 . A A . 10 GLY N 1 1
1 117 1 1 10 GLY O O 3.788 -4.076 1.677 1.00 . A A . 10 GLY O 1 1
1 118 1 1 11 VAL C C 0.861 -1.615 1.423 1.00 . A A . 11 VAL C 1 1
1 119 1 1 11 VAL CA C 1.265 -3.064 1.161 1.00 . A A . 11 VAL CA 1 1
1 120 1 1 11 VAL CB C 0.090 -3.825 0.494 1.00 . A A . 11 VAL CB 1 1
1 121 1 1 11 VAL CG1 C -0.130 -3.341 -0.935 1.00 . A A . 11 VAL CG1 1 1
1 122 1 1 11 VAL CG2 C 0.337 -5.327 0.513 1.00 . A A . 11 VAL CG2 1 1
1 123 1 1 11 VAL H H 1.057 -3.760 3.146 1.00 . A A . 11 VAL H 1 1
1 124 1 1 11 VAL HA H 2.104 -3.073 0.478 1.00 . A A . 11 VAL HA 1 1
1 125 1 1 11 VAL HB H -0.810 -3.622 1.059 1.00 . A A . 11 VAL HB 1 1
1 126 1 1 11 VAL HG11 H -0.618 -2.377 -0.919 1.00 . A A . 11 VAL HG11 1 1
1 127 1 1 11 VAL HG12 H -0.746 -4.050 -1.467 1.00 . A A . 11 VAL HG12 1 1
1 128 1 1 11 VAL HG13 H 0.825 -3.249 -1.435 1.00 . A A . 11 VAL HG13 1 1
1 129 1 1 11 VAL HG21 H -0.529 -5.830 0.912 1.00 . A A . 11 VAL HG21 1 1
1 130 1 1 11 VAL HG22 H 1.195 -5.540 1.132 1.00 . A A . 11 VAL HG22 1 1
1 131 1 1 11 VAL HG23 H 0.524 -5.674 -0.493 1.00 . A A . 11 VAL HG23 1 1
1 132 1 1 11 VAL N N 1.693 -3.691 2.401 1.00 . A A . 11 VAL N 1 1
1 133 1 1 11 VAL O O 0.608 -1.233 2.564 1.00 . A A . 11 VAL O 1 1
1 134 1 1 12 CYS C C -0.904 0.833 0.840 1.00 . A A . 12 CYS C 1 1
1 135 1 1 12 CYS CA C 0.547 0.602 0.416 1.00 . A A . 12 CYS CA 1 1
1 136 1 1 12 CYS CB C 0.794 1.132 -0.976 1.00 . A A . 12 CYS CB 1 1
1 137 1 1 12 CYS H H 1.122 -1.197 -0.499 1.00 . A A . 12 CYS H 1 1
1 138 1 1 12 CYS HA H 1.208 1.087 1.098 1.00 . A A . 12 CYS HA 1 1
1 139 1 1 12 CYS HB2 H 1.799 0.876 -1.260 1.00 . A A . 12 CYS HB2 1 1
1 140 1 1 12 CYS HB3 H 0.120 0.623 -1.630 1.00 . A A . 12 CYS HB3 1 1
1 141 1 1 12 CYS N N 0.868 -0.817 0.367 1.00 . A A . 12 CYS N 1 1
1 142 1 1 12 CYS O O -1.811 0.893 0.004 1.00 . A A . 12 CYS O 1 1
1 143 1 1 12 CYS SG S 0.592 2.899 -1.236 1.00 . A A . 12 CYS SG 1 1
1 144 1 1 13 ABA C C -3.017 -0.683 2.650 1.00 . A A . 13 ABA C 1 1
1 145 1 1 13 ABA CA C -2.518 0.748 2.611 1.00 . A A . 13 ABA CA 1 1
1 146 1 1 13 ABA CB C -2.681 1.431 3.987 1.00 . A A . 13 ABA CB 1 1
1 147 1 1 13 ABA CG C -1.745 2.628 4.112 1.00 . A A . 13 ABA CG 1 1
1 148 1 1 13 ABA H H -0.437 0.496 2.745 1.00 . A A . 13 ABA H 1 1
1 149 1 1 13 ABA HA H -3.112 1.293 1.891 1.00 . A A . 13 ABA HA 1 1
1 150 1 1 13 ABA HB3 H -2.416 0.715 4.753 1.00 . A A . 13 ABA HB3 1 1
1 151 1 1 13 ABA HG1 H -1.506 2.792 5.154 1.00 . A A . 13 ABA HG1 1 1
1 152 1 1 13 ABA HG2 H -2.229 3.507 3.711 1.00 . A A . 13 ABA HG2 1 1
1 153 1 1 13 ABA HG3 H -0.838 2.434 3.559 1.00 . A A . 13 ABA HG3 1 1
1 154 1 1 13 ABA N N -1.156 0.749 2.133 1.00 . A A . 13 ABA N 1 1
1 155 1 1 13 ABA O O -2.803 -1.426 3.608 1.00 . A A . 13 ABA O 1 1
1 156 1 1 14 LEU C C -3.646 -2.758 -0.266 1.00 . A A . 14 LEU C 1 1
1 157 1 1 14 LEU CA C -3.827 -2.481 1.224 1.00 . A A . 14 LEU CA 1 1
1 158 1 1 14 LEU CB C -5.274 -2.740 1.650 1.00 . A A . 14 LEU CB 1 1
1 159 1 1 14 LEU CD1 C -4.906 -5.067 2.513 1.00 . A A . 14 LEU CD1 1 1
1 160 1 1 14 LEU CD2 C -7.214 -4.302 1.919 1.00 . A A . 14 LEU CD2 1 1
1 161 1 1 14 LEU CG C -5.734 -4.199 1.579 1.00 . A A . 14 LEU CG 1 1
1 162 1 1 14 LEU H H -3.393 -0.492 0.736 1.00 . A A . 14 LEU H 1 1
1 163 1 1 14 LEU HA H -3.163 -3.122 1.787 1.00 . A A . 14 LEU HA 1 1
1 164 1 1 14 LEU HB2 H -5.390 -2.396 2.667 1.00 . A A . 14 LEU HB2 1 1
1 165 1 1 14 LEU HB3 H -5.917 -2.152 1.014 1.00 . A A . 14 LEU HB3 1 1
1 166 1 1 14 LEU HD11 H -4.481 -5.892 1.958 1.00 . A A . 14 LEU HD11 1 1
1 167 1 1 14 LEU HD12 H -5.535 -5.449 3.302 1.00 . A A . 14 LEU HD12 1 1
1 168 1 1 14 LEU HD13 H -4.110 -4.474 2.942 1.00 . A A . 14 LEU HD13 1 1
1 169 1 1 14 LEU HD21 H -7.796 -4.262 1.011 1.00 . A A . 14 LEU HD21 1 1
1 170 1 1 14 LEU HD22 H -7.492 -3.476 2.559 1.00 . A A . 14 LEU HD22 1 1
1 171 1 1 14 LEU HD23 H -7.403 -5.235 2.430 1.00 . A A . 14 LEU HD23 1 1
1 172 1 1 14 LEU HG H -5.595 -4.567 0.572 1.00 . A A . 14 LEU HG 1 1
1 173 1 1 14 LEU N N -3.464 -1.102 1.487 1.00 . A A . 14 LEU N 1 1
1 174 1 1 14 LEU O O -3.587 -3.902 -0.707 1.00 . A A . 14 LEU O 1 1
1 175 1 1 15 ABA C C -4.736 -1.109 -3.118 1.00 . A A . 15 ABA C 1 1
1 176 1 1 15 ABA CA C -3.499 -1.741 -2.489 1.00 . A A . 15 ABA CA 1 1
1 177 1 1 15 ABA CB C -2.226 -1.001 -2.976 1.00 . A A . 15 ABA CB 1 1
1 178 1 1 15 ABA CG C -1.745 -1.559 -4.307 1.00 . A A . 15 ABA CG 1 1
1 179 1 1 15 ABA H H -3.697 -0.799 -0.621 1.00 . A A . 15 ABA H 1 1
1 180 1 1 15 ABA HA H -3.435 -2.779 -2.782 1.00 . A A . 15 ABA HA 1 1
1 181 1 1 15 ABA HB3 H -2.459 0.048 -3.105 1.00 . A A . 15 ABA HB3 1 1
1 182 1 1 15 ABA HG1 H -1.961 -2.618 -4.352 1.00 . A A . 15 ABA HG1 1 1
1 183 1 1 15 ABA HG2 H -0.679 -1.405 -4.399 1.00 . A A . 15 ABA HG2 1 1
1 184 1 1 15 ABA HG3 H -2.254 -1.053 -5.115 1.00 . A A . 15 ABA HG3 1 1
1 185 1 1 15 ABA N N -3.611 -1.673 -1.038 1.00 . A A . 15 ABA N 1 1
1 186 1 1 15 ABA O O -5.441 -1.735 -3.916 1.00 . A A . 15 ABA O 1 1
1 187 1 1 16 DHA C C -7.099 1.246 -2.186 1.00 . A A . 16 DHA C 1 1
1 188 1 1 16 DHA CA C -6.138 0.782 -3.111 1.00 . A A . 16 DHA CA 1 1
1 189 1 1 16 DHA CB C -6.294 1.029 -4.417 1.00 . A A . 16 DHA CB 1 1
1 190 1 1 16 DHA H H -4.410 0.485 -2.013 1.00 . A A . 16 DHA H 1 1
1 191 1 1 16 DHA HB1 H -5.555 0.684 -5.126 1.00 . A A . 16 DHA HB1 1 1
1 192 1 1 16 DHA HB2 H -7.138 1.599 -4.760 1.00 . A A . 16 DHA HB2 1 1
1 193 1 1 16 DHA N N -5.029 0.109 -2.668 1.00 . A A . 16 DHA N 1 1
1 194 1 1 16 DHA O O -7.814 2.212 -2.444 1.00 . A A . 16 DHA O 1 1
1 195 1 1 17 GLU C C -7.377 2.144 0.876 1.00 . A A . 17 GLU C 1 1
1 196 1 1 17 GLU CA C -8.008 1.020 0.064 1.00 . A A . 17 GLU CA 1 1
1 197 1 1 17 GLU CB C -8.297 -0.187 0.961 1.00 . A A . 17 GLU CB 1 1
1 198 1 1 17 GLU CD C -10.699 0.417 1.465 1.00 . A A . 17 GLU CD 1 1
1 199 1 1 17 GLU CG C -9.341 0.064 2.036 1.00 . A A . 17 GLU CG 1 1
1 200 1 1 17 GLU H H -6.506 -0.135 -0.876 1.00 . A A . 17 GLU H 1 1
1 201 1 1 17 GLU HA H -8.931 1.372 -0.376 1.00 . A A . 17 GLU HA 1 1
1 202 1 1 17 GLU HB2 H -8.646 -1.002 0.343 1.00 . A A . 17 GLU HB2 1 1
1 203 1 1 17 GLU HB3 H -7.380 -0.484 1.446 1.00 . A A . 17 GLU HB3 1 1
1 204 1 1 17 GLU HG2 H -9.441 -0.828 2.634 1.00 . A A . 17 GLU HG2 1 1
1 205 1 1 17 GLU HG3 H -9.005 0.880 2.661 1.00 . A A . 17 GLU HG3 1 1
1 206 1 1 17 GLU N N -7.104 0.631 -1.013 1.00 . A A . 17 GLU N 1 1
1 207 1 1 17 GLU O O -8.069 2.944 1.504 1.00 . A A . 17 GLU O 1 1
1 208 1 1 17 GLU OE1 O -10.862 1.542 0.950 1.00 . A A . 17 GLU OE1 1 1
1 209 1 1 17 GLU OE2 O -11.608 -0.437 1.519 1.00 . A A . 17 GLU OE2 1 1
1 210 1 1 18 CYS C C -4.979 4.407 0.266 1.00 . A A . 18 CYS C 1 1
1 211 1 1 18 CYS CA C -5.351 3.394 1.333 1.00 . A A . 18 CYS CA 1 1
1 212 1 1 18 CYS CB C -4.079 2.913 2.024 1.00 . A A . 18 CYS CB 1 1
1 213 1 1 18 CYS H H -5.595 1.684 0.130 1.00 . A A . 18 CYS H 1 1
1 214 1 1 18 CYS HA H -5.998 3.863 2.058 1.00 . A A . 18 CYS HA 1 1
1 215 1 1 18 CYS HB2 H -3.544 2.269 1.340 1.00 . A A . 18 CYS HB2 1 1
1 216 1 1 18 CYS HB3 H -3.464 3.775 2.237 1.00 . A A . 18 CYS HB3 1 1
1 217 1 1 18 CYS N N -6.069 2.282 0.735 1.00 . A A . 18 CYS N 1 1
1 218 1 1 18 CYS O O -5.717 5.355 0.009 1.00 . A A . 18 CYS O 1 1
1 219 1 1 18 CYS SG S -4.356 1.986 3.555 1.00 . A A . 18 CYS SG 1 1
1 220 1 1 19 ILE C C -3.437 4.629 -2.716 1.00 . A A . 19 ILE C 1 1
1 221 1 1 19 ILE CA C -3.315 5.184 -1.295 1.00 . A A . 19 ILE CA 1 1
1 222 1 1 19 ILE CB C -1.850 5.572 -1.009 1.00 . A A . 19 ILE CB 1 1
1 223 1 1 19 ILE CD1 C -0.261 6.238 0.872 1.00 . A A . 19 ILE CD1 1 1
1 224 1 1 19 ILE CG1 C -1.688 5.952 0.467 1.00 . A A . 19 ILE CG1 1 1
1 225 1 1 19 ILE CG2 C -1.423 6.728 -1.908 1.00 . A A . 19 ILE CG2 1 1
1 226 1 1 19 ILE H H -3.219 3.508 -0.014 1.00 . A A . 19 ILE H 1 1
1 227 1 1 19 ILE HA H -3.919 6.072 -1.208 1.00 . A A . 19 ILE HA 1 1
1 228 1 1 19 ILE HB H -1.223 4.722 -1.228 1.00 . A A . 19 ILE HB 1 1
1 229 1 1 19 ILE HD11 H 0.361 5.393 0.617 1.00 . A A . 19 ILE HD11 1 1
1 230 1 1 19 ILE HD12 H -0.216 6.411 1.937 1.00 . A A . 19 ILE HD12 1 1
1 231 1 1 19 ILE HD13 H 0.092 7.115 0.349 1.00 . A A . 19 ILE HD13 1 1
1 232 1 1 19 ILE HG12 H -2.270 6.836 0.670 1.00 . A A . 19 ILE HG12 1 1
1 233 1 1 19 ILE HG13 H -2.049 5.139 1.081 1.00 . A A . 19 ILE HG13 1 1
1 234 1 1 19 ILE HG21 H -2.008 6.712 -2.816 1.00 . A A . 19 ILE HG21 1 1
1 235 1 1 19 ILE HG22 H -0.375 6.626 -2.153 1.00 . A A . 19 ILE HG22 1 1
1 236 1 1 19 ILE HG23 H -1.583 7.664 -1.393 1.00 . A A . 19 ILE HG23 1 1
1 237 1 1 19 ILE N N -3.802 4.234 -0.316 1.00 . A A . 19 ILE N 1 1
1 238 1 1 19 ILE O O -3.904 5.319 -3.621 1.00 . A A . 19 ILE O 1 1
1 239 1 1 20 TEE CA C -3.161 2.816 -4.161 1.00 . A A . 20 TEE CA 1 1
1 240 1 1 20 TEE CB C -2.922 1.439 -4.349 1.00 . A A . 20 TEE CB 1 1
1 241 1 1 20 TEE HA H -4.194 2.503 -4.293 1.00 . A A . 20 TEE HA 1 1
1 242 1 1 20 TEE HB2 H -3.270 0.725 -3.616 1.00 . A A . 20 TEE HB2 1 1
1 243 1 1 20 TEE HN1 H -2.689 2.890 -2.132 1.00 . A A . 20 TEE HN1 1 1
1 244 1 1 20 TEE N N -3.049 3.370 -2.907 1.00 . A A . 20 TEE N 1 1
1 245 1 1 20 TEE SG S -2.000 0.795 -2.937 1.00 . A A . 20 TEE SG 1 1
2 246 1 1 1 CYS C C 10.271 4.463 1.342 1.00 . A A . 1 CYS C 1 1
2 247 1 1 1 CYS CA C 10.948 5.668 0.670 1.00 . A A . 1 CYS CA 1 1
2 248 1 1 1 CYS CB C 10.253 6.978 1.069 1.00 . A A . 1 CYS CB 1 1
2 249 1 1 1 CYS H1 H 11.909 5.807 -1.177 1.00 . A A . 1 CYS H1 1 1
2 250 1 1 1 CYS H2 H 10.264 6.184 -1.233 1.00 . A A . 1 CYS H2 1 1
2 251 1 1 1 CYS H3 H 10.759 4.568 -1.094 1.00 . A A . 1 CYS H3 1 1
2 252 1 1 1 CYS HA H 11.973 5.709 1.009 1.00 . A A . 1 CYS HA 1 1
2 253 1 1 1 CYS HB2 H 10.784 7.407 1.907 1.00 . A A . 1 CYS HB2 1 1
2 254 1 1 1 CYS HB3 H 10.310 7.664 0.237 1.00 . A A . 1 CYS HB3 1 1
2 255 1 1 1 CYS N N 10.969 5.550 -0.809 1.00 . A A . 1 CYS N 1 1
2 256 1 1 1 CYS O O 10.829 3.911 2.290 1.00 . A A . 1 CYS O 1 1
2 257 1 1 1 CYS SG S 8.519 6.811 1.536 1.00 . A A . 1 CYS SG 1 1
2 258 1 1 2 ABA C C 7.188 3.733 -0.649 1.00 . A A . 2 ABA C 1 1
2 259 1 1 2 ABA CA C 8.369 4.615 -0.255 1.00 . A A . 2 ABA CA 1 1
2 260 1 1 2 ABA CB C 7.843 6.027 0.069 1.00 . A A . 2 ABA CB 1 1
2 261 1 1 2 ABA CG C 7.413 6.743 -1.202 1.00 . A A . 2 ABA CG 1 1
2 262 1 1 2 ABA H H 8.684 3.245 1.314 1.00 . A A . 2 ABA H 1 1
2 263 1 1 2 ABA HA H 9.051 4.686 -1.090 1.00 . A A . 2 ABA HA 1 1
2 264 1 1 2 ABA HB3 H 6.976 5.928 0.708 1.00 . A A . 2 ABA HB3 1 1
2 265 1 1 2 ABA HG1 H 6.365 6.552 -1.385 1.00 . A A . 2 ABA HG1 1 1
2 266 1 1 2 ABA HG2 H 7.996 6.379 -2.036 1.00 . A A . 2 ABA HG2 1 1
2 267 1 1 2 ABA HG3 H 7.571 7.806 -1.089 1.00 . A A . 2 ABA HG3 1 1
2 268 1 1 2 ABA N N 9.092 4.018 0.869 1.00 . A A . 2 ABA N 1 1
2 269 1 1 2 ABA O O 7.277 2.944 -1.588 1.00 . A A . 2 ABA O 1 1
2 270 1 1 3 PHE C C 4.255 3.366 -1.464 1.00 . A A . 3 PHE C 1 1
2 271 1 1 3 PHE CA C 4.915 3.023 -0.124 1.00 . A A . 3 PHE CA 1 1
2 272 1 1 3 PHE CB C 3.920 3.191 1.032 1.00 . A A . 3 PHE CB 1 1
2 273 1 1 3 PHE CD1 C 2.457 5.157 0.480 1.00 . A A . 3 PHE CD1 1 1
2 274 1 1 3 PHE CD2 C 4.032 5.387 2.255 1.00 . A A . 3 PHE CD2 1 1
2 275 1 1 3 PHE CE1 C 2.031 6.455 0.688 1.00 . A A . 3 PHE CE1 1 1
2 276 1 1 3 PHE CE2 C 3.610 6.684 2.466 1.00 . A A . 3 PHE CE2 1 1
2 277 1 1 3 PHE CG C 3.461 4.608 1.262 1.00 . A A . 3 PHE CG 1 1
2 278 1 1 3 PHE CZ C 2.620 7.221 1.691 1.00 . A A . 3 PHE CZ 1 1
2 279 1 1 3 PHE H H 6.118 4.435 0.886 1.00 . A A . 3 PHE H 1 1
2 280 1 1 3 PHE HA H 5.230 1.991 -0.159 1.00 . A A . 3 PHE HA 1 1
2 281 1 1 3 PHE HB2 H 3.044 2.592 0.829 1.00 . A A . 3 PHE HB2 1 1
2 282 1 1 3 PHE HB3 H 4.382 2.840 1.944 1.00 . A A . 3 PHE HB3 1 1
2 283 1 1 3 PHE HD1 H 2.006 4.561 -0.299 1.00 . A A . 3 PHE HD1 1 1
2 284 1 1 3 PHE HD2 H 4.813 4.970 2.872 1.00 . A A . 3 PHE HD2 1 1
2 285 1 1 3 PHE HE1 H 1.247 6.871 0.074 1.00 . A A . 3 PHE HE1 1 1
2 286 1 1 3 PHE HE2 H 4.062 7.279 3.243 1.00 . A A . 3 PHE HE2 1 1
2 287 1 1 3 PHE HZ H 2.293 8.237 1.858 1.00 . A A . 3 PHE HZ 1 1
2 288 1 1 3 PHE N N 6.103 3.834 0.111 1.00 . A A . 3 PHE N 1 1
2 289 1 1 3 PHE O O 4.442 4.461 -2.005 1.00 . A A . 3 PHE O 1 1
2 290 1 1 4 ABA C C 2.932 1.262 -4.080 1.00 . A A . 4 ABA C 1 1
2 291 1 1 4 ABA CA C 2.853 2.565 -3.287 1.00 . A A . 4 ABA CA 1 1
2 292 1 1 4 ABA CB C 1.377 2.990 -3.104 1.00 . A A . 4 ABA CB 1 1
2 293 1 1 4 ABA CG C 1.154 4.375 -3.685 1.00 . A A . 4 ABA CG 1 1
2 294 1 1 4 ABA H H 3.431 1.548 -1.530 1.00 . A A . 4 ABA H 1 1
2 295 1 1 4 ABA HA H 3.363 3.335 -3.834 1.00 . A A . 4 ABA HA 1 1
2 296 1 1 4 ABA HB3 H 1.165 3.030 -2.046 1.00 . A A . 4 ABA HB3 1 1
2 297 1 1 4 ABA HG1 H 1.373 5.120 -2.934 1.00 . A A . 4 ABA HG1 1 1
2 298 1 1 4 ABA HG2 H 0.126 4.470 -3.999 1.00 . A A . 4 ABA HG2 1 1
2 299 1 1 4 ABA HG3 H 1.806 4.519 -4.533 1.00 . A A . 4 ABA HG3 1 1
2 300 1 1 4 ABA N N 3.516 2.407 -2.004 1.00 . A A . 4 ABA N 1 1
2 301 1 1 4 ABA O O 1.956 0.515 -4.176 1.00 . A A . 4 ABA O 1 1
2 302 1 1 5 LEU C C 5.386 -1.139 -4.409 1.00 . A A . 5 LEU C 1 1
2 303 1 1 5 LEU CA C 4.393 -0.318 -5.224 1.00 . A A . 5 LEU CA 1 1
2 304 1 1 5 LEU CB C 4.958 -0.082 -6.631 1.00 . A A . 5 LEU CB 1 1
2 305 1 1 5 LEU CD1 C 4.373 2.259 -7.341 1.00 . A A . 5 LEU CD1 1 1
2 306 1 1 5 LEU CD2 C 4.344 0.400 -9.012 1.00 . A A . 5 LEU CD2 1 1
2 307 1 1 5 LEU CG C 4.098 0.779 -7.560 1.00 . A A . 5 LEU CG 1 1
2 308 1 1 5 LEU H H 4.893 1.540 -4.348 1.00 . A A . 5 LEU H 1 1
2 309 1 1 5 LEU HA H 3.461 -0.857 -5.300 1.00 . A A . 5 LEU HA 1 1
2 310 1 1 5 LEU HB2 H 5.925 0.392 -6.530 1.00 . A A . 5 LEU HB2 1 1
2 311 1 1 5 LEU HB3 H 5.099 -1.045 -7.101 1.00 . A A . 5 LEU HB3 1 1
2 312 1 1 5 LEU HD11 H 5.025 2.624 -8.120 1.00 . A A . 5 LEU HD11 1 1
2 313 1 1 5 LEU HD12 H 4.847 2.400 -6.382 1.00 . A A . 5 LEU HD12 1 1
2 314 1 1 5 LEU HD13 H 3.442 2.808 -7.366 1.00 . A A . 5 LEU HD13 1 1
2 315 1 1 5 LEU HD21 H 3.877 -0.551 -9.222 1.00 . A A . 5 LEU HD21 1 1
2 316 1 1 5 LEU HD22 H 5.406 0.324 -9.190 1.00 . A A . 5 LEU HD22 1 1
2 317 1 1 5 LEU HD23 H 3.924 1.157 -9.658 1.00 . A A . 5 LEU HD23 1 1
2 318 1 1 5 LEU HG H 3.058 0.600 -7.338 1.00 . A A . 5 LEU HG 1 1
2 319 1 1 5 LEU N N 4.133 0.943 -4.541 1.00 . A A . 5 LEU N 1 1
2 320 1 1 5 LEU O O 6.597 -0.988 -4.563 1.00 . A A . 5 LEU O 1 1
2 321 1 1 6 PRO C C 6.146 -4.065 -3.097 1.00 . A A . 6 PRO C 1 1
2 322 1 1 6 PRO CA C 5.741 -2.706 -2.547 1.00 . A A . 6 PRO CA 1 1
2 323 1 1 6 PRO CB C 4.841 -2.888 -1.332 1.00 . A A . 6 PRO CB 1 1
2 324 1 1 6 PRO CD C 3.461 -2.109 -3.137 1.00 . A A . 6 PRO CD 1 1
2 325 1 1 6 PRO CG C 3.467 -2.971 -1.899 1.00 . A A . 6 PRO CG 1 1
2 326 1 1 6 PRO HA H 6.622 -2.153 -2.266 1.00 . A A . 6 PRO HA 1 1
2 327 1 1 6 PRO HB2 H 5.112 -3.796 -0.813 1.00 . A A . 6 PRO HB2 1 1
2 328 1 1 6 PRO HB3 H 4.946 -2.042 -0.671 1.00 . A A . 6 PRO HB3 1 1
2 329 1 1 6 PRO HD2 H 2.942 -2.609 -3.942 1.00 . A A . 6 PRO HD2 1 1
2 330 1 1 6 PRO HD3 H 3.003 -1.154 -2.929 1.00 . A A . 6 PRO HD3 1 1
2 331 1 1 6 PRO HG2 H 3.241 -3.996 -2.156 1.00 . A A . 6 PRO HG2 1 1
2 332 1 1 6 PRO HG3 H 2.752 -2.598 -1.181 1.00 . A A . 6 PRO HG3 1 1
2 333 1 1 6 PRO N N 4.892 -1.945 -3.460 1.00 . A A . 6 PRO N 1 1
2 334 1 1 6 PRO O O 5.462 -4.633 -3.951 1.00 . A A . 6 PRO O 1 1
2 335 1 1 7 GLY C C 7.439 -6.942 -1.813 1.00 . A A . 7 GLY C 1 1
2 336 1 1 7 GLY CA C 7.656 -5.938 -2.923 1.00 . A A . 7 GLY CA 1 1
2 337 1 1 7 GLY H H 7.685 -4.131 -1.825 1.00 . A A . 7 GLY H 1 1
2 338 1 1 7 GLY HA2 H 7.108 -6.256 -3.798 1.00 . A A . 7 GLY HA2 1 1
2 339 1 1 7 GLY HA3 H 8.709 -5.902 -3.161 1.00 . A A . 7 GLY HA3 1 1
2 340 1 1 7 GLY N N 7.213 -4.616 -2.541 1.00 . A A . 7 GLY N 1 1
2 341 1 1 7 GLY O O 7.281 -8.139 -2.062 1.00 . A A . 7 GLY O 1 1
2 342 1 1 8 GLY C C 7.253 -6.550 1.868 1.00 . A A . 8 GLY C 1 1
2 343 1 1 8 GLY CA C 7.196 -7.311 0.561 1.00 . A A . 8 GLY CA 1 1
2 344 1 1 8 GLY H H 7.536 -5.485 -0.446 1.00 . A A . 8 GLY H 1 1
2 345 1 1 8 GLY HA2 H 6.227 -7.780 0.469 1.00 . A A . 8 GLY HA2 1 1
2 346 1 1 8 GLY HA3 H 7.957 -8.078 0.570 1.00 . A A . 8 GLY HA3 1 1
2 347 1 1 8 GLY N N 7.411 -6.449 -0.582 1.00 . A A . 8 GLY N 1 1
2 348 1 1 8 GLY O O 7.738 -5.419 1.908 1.00 . A A . 8 GLY O 1 1
2 349 1 1 9 GLY C C 5.753 -5.444 4.390 1.00 . A A . 9 GLY C 1 1
2 350 1 1 9 GLY CA C 6.786 -6.542 4.242 1.00 . A A . 9 GLY CA 1 1
2 351 1 1 9 GLY H H 6.381 -8.075 2.833 1.00 . A A . 9 GLY H 1 1
2 352 1 1 9 GLY HA2 H 6.602 -7.296 4.993 1.00 . A A . 9 GLY HA2 1 1
2 353 1 1 9 GLY HA3 H 7.768 -6.121 4.406 1.00 . A A . 9 GLY HA3 1 1
2 354 1 1 9 GLY N N 6.761 -7.169 2.933 1.00 . A A . 9 GLY N 1 1
2 355 1 1 9 GLY O O 5.986 -4.451 5.081 1.00 . A A . 9 GLY O 1 1
2 356 1 1 10 GLY C C 3.218 -4.056 2.480 1.00 . A A . 10 GLY C 1 1
2 357 1 1 10 GLY CA C 3.555 -4.637 3.832 1.00 . A A . 10 GLY CA 1 1
2 358 1 1 10 GLY H H 4.475 -6.433 3.209 1.00 . A A . 10 GLY H 1 1
2 359 1 1 10 GLY HA2 H 2.672 -5.101 4.246 1.00 . A A . 10 GLY HA2 1 1
2 360 1 1 10 GLY HA3 H 3.871 -3.838 4.488 1.00 . A A . 10 GLY HA3 1 1
2 361 1 1 10 GLY N N 4.609 -5.623 3.748 1.00 . A A . 10 GLY N 1 1
2 362 1 1 10 GLY O O 4.064 -4.027 1.586 1.00 . A A . 10 GLY O 1 1
2 363 1 1 11 VAL C C 1.079 -1.589 1.288 1.00 . A A . 11 VAL C 1 1
2 364 1 1 11 VAL CA C 1.546 -3.023 1.061 1.00 . A A . 11 VAL CA 1 1
2 365 1 1 11 VAL CB C 0.411 -3.849 0.406 1.00 . A A . 11 VAL CB 1 1
2 366 1 1 11 VAL CG1 C 0.111 -3.355 -1.008 1.00 . A A . 11 VAL CG1 1 1
2 367 1 1 11 VAL CG2 C 0.776 -5.324 0.379 1.00 . A A . 11 VAL CG2 1 1
2 368 1 1 11 VAL H H 1.351 -3.655 3.069 1.00 . A A . 11 VAL H 1 1
2 369 1 1 11 VAL HA H 2.392 -3.013 0.389 1.00 . A A . 11 VAL HA 1 1
2 370 1 1 11 VAL HB H -0.484 -3.733 1.002 1.00 . A A . 11 VAL HB 1 1
2 371 1 1 11 VAL HG11 H -0.108 -4.198 -1.645 1.00 . A A . 11 VAL HG11 1 1
2 372 1 1 11 VAL HG12 H 0.971 -2.824 -1.396 1.00 . A A . 11 VAL HG12 1 1
2 373 1 1 11 VAL HG13 H -0.739 -2.688 -0.986 1.00 . A A . 11 VAL HG13 1 1
2 374 1 1 11 VAL HG21 H 1.542 -5.518 1.116 1.00 . A A . 11 VAL HG21 1 1
2 375 1 1 11 VAL HG22 H 1.145 -5.584 -0.602 1.00 . A A . 11 VAL HG22 1 1
2 376 1 1 11 VAL HG23 H -0.098 -5.917 0.604 1.00 . A A . 11 VAL HG23 1 1
2 377 1 1 11 VAL N N 1.983 -3.608 2.318 1.00 . A A . 11 VAL N 1 1
2 378 1 1 11 VAL O O 0.794 -1.198 2.418 1.00 . A A . 11 VAL O 1 1
2 379 1 1 12 CYS C C -0.801 0.734 0.654 1.00 . A A . 12 CYS C 1 1
2 380 1 1 12 CYS CA C 0.654 0.577 0.213 1.00 . A A . 12 CYS CA 1 1
2 381 1 1 12 CYS CB C 0.854 1.077 -1.199 1.00 . A A . 12 CYS CB 1 1
2 382 1 1 12 CYS H H 1.327 -1.203 -0.645 1.00 . A A . 12 CYS H 1 1
2 383 1 1 12 CYS HA H 1.293 1.122 0.870 1.00 . A A . 12 CYS HA 1 1
2 384 1 1 12 CYS HB2 H 1.845 0.798 -1.522 1.00 . A A . 12 CYS HB2 1 1
2 385 1 1 12 CYS HB3 H 0.146 0.576 -1.816 1.00 . A A . 12 CYS HB3 1 1
2 386 1 1 12 CYS N N 1.056 -0.816 0.210 1.00 . A A . 12 CYS N 1 1
2 387 1 1 12 CYS O O -1.722 0.677 -0.163 1.00 . A A . 12 CYS O 1 1
2 388 1 1 12 CYS SG S 0.676 2.848 -1.443 1.00 . A A . 12 CYS SG 1 1
2 389 1 1 13 ABA C C -2.716 -0.863 2.595 1.00 . A A . 13 ABA C 1 1
2 390 1 1 13 ABA CA C -2.353 0.604 2.483 1.00 . A A . 13 ABA CA 1 1
2 391 1 1 13 ABA CB C -2.532 1.324 3.837 1.00 . A A . 13 ABA CB 1 1
2 392 1 1 13 ABA CG C -1.656 2.565 3.916 1.00 . A A . 13 ABA CG 1 1
2 393 1 1 13 ABA H H -0.260 0.529 2.555 1.00 . A A . 13 ABA H 1 1
2 394 1 1 13 ABA HA H -3.016 1.065 1.763 1.00 . A A . 13 ABA HA 1 1
2 395 1 1 13 ABA HB3 H -2.227 0.650 4.622 1.00 . A A . 13 ABA HB3 1 1
2 396 1 1 13 ABA HG1 H -2.281 3.442 3.984 1.00 . A A . 13 ABA HG1 1 1
2 397 1 1 13 ABA HG2 H -1.040 2.628 3.032 1.00 . A A . 13 ABA HG2 1 1
2 398 1 1 13 ABA HG3 H -1.025 2.504 4.793 1.00 . A A . 13 ABA HG3 1 1
2 399 1 1 13 ABA N N -1.015 0.696 1.957 1.00 . A A . 13 ABA N 1 1
2 400 1 1 13 ABA O O -2.295 -1.576 3.506 1.00 . A A . 13 ABA O 1 1
2 401 1 1 14 LEU C C -3.539 -2.921 -0.266 1.00 . A A . 14 LEU C 1 1
2 402 1 1 14 LEU CA C -3.524 -2.727 1.245 1.00 . A A . 14 LEU CA 1 1
2 403 1 1 14 LEU CB C -4.861 -3.150 1.859 1.00 . A A . 14 LEU CB 1 1
2 404 1 1 14 LEU CD1 C -4.200 -5.450 2.591 1.00 . A A . 14 LEU CD1 1 1
2 405 1 1 14 LEU CD2 C -6.609 -4.894 2.223 1.00 . A A . 14 LEU CD2 1 1
2 406 1 1 14 LEU CG C -5.184 -4.639 1.766 1.00 . A A . 14 LEU CG 1 1
2 407 1 1 14 LEU H H -3.347 -0.699 0.756 1.00 . A A . 14 LEU H 1 1
2 408 1 1 14 LEU HA H -2.722 -3.309 1.674 1.00 . A A . 14 LEU HA 1 1
2 409 1 1 14 LEU HB2 H -4.856 -2.870 2.902 1.00 . A A . 14 LEU HB2 1 1
2 410 1 1 14 LEU HB3 H -5.649 -2.605 1.363 1.00 . A A . 14 LEU HB3 1 1
2 411 1 1 14 LEU HD11 H -4.684 -6.349 2.950 1.00 . A A . 14 LEU HD11 1 1
2 412 1 1 14 LEU HD12 H -3.866 -4.861 3.431 1.00 . A A . 14 LEU HD12 1 1
2 413 1 1 14 LEU HD13 H -3.352 -5.717 1.978 1.00 . A A . 14 LEU HD13 1 1
2 414 1 1 14 LEU HD21 H -7.274 -4.193 1.736 1.00 . A A . 14 LEU HD21 1 1
2 415 1 1 14 LEU HD22 H -6.673 -4.766 3.292 1.00 . A A . 14 LEU HD22 1 1
2 416 1 1 14 LEU HD23 H -6.895 -5.900 1.962 1.00 . A A . 14 LEU HD23 1 1
2 417 1 1 14 LEU HG H -5.099 -4.954 0.737 1.00 . A A . 14 LEU HG 1 1
2 418 1 1 14 LEU N N -3.267 -1.323 1.502 1.00 . A A . 14 LEU N 1 1
2 419 1 1 14 LEU O O -3.227 -3.986 -0.792 1.00 . A A . 14 LEU O 1 1
2 420 1 1 15 ABA C C -5.310 -1.194 -2.831 1.00 . A A . 15 ABA C 1 1
2 421 1 1 15 ABA CA C -3.982 -1.796 -2.395 1.00 . A A . 15 ABA CA 1 1
2 422 1 1 15 ABA CB C -2.843 -0.932 -2.984 1.00 . A A . 15 ABA CB 1 1
2 423 1 1 15 ABA CG C -1.958 -1.745 -3.917 1.00 . A A . 15 ABA CG 1 1
2 424 1 1 15 ABA H H -4.177 -1.042 -0.444 1.00 . A A . 15 ABA H 1 1
2 425 1 1 15 ABA HA H -3.895 -2.802 -2.778 1.00 . A A . 15 ABA HA 1 1
2 426 1 1 15 ABA HB3 H -2.244 -0.545 -2.179 1.00 . A A . 15 ABA HB3 1 1
2 427 1 1 15 ABA HG1 H -1.248 -2.313 -3.336 1.00 . A A . 15 ABA HG1 1 1
2 428 1 1 15 ABA HG2 H -1.429 -1.080 -4.581 1.00 . A A . 15 ABA HG2 1 1
2 429 1 1 15 ABA HG3 H -2.572 -2.421 -4.496 1.00 . A A . 15 ABA HG3 1 1
2 430 1 1 15 ABA N N -3.909 -1.839 -0.946 1.00 . A A . 15 ABA N 1 1
2 431 1 1 15 ABA O O -6.148 -1.864 -3.434 1.00 . A A . 15 ABA O 1 1
2 432 1 1 16 DHA C C -7.450 1.397 -2.147 1.00 . A A . 16 DHA C 1 1
2 433 1 1 16 DHA CA C -6.529 0.799 -3.045 1.00 . A A . 16 DHA CA 1 1
2 434 1 1 16 DHA CB C -6.694 0.939 -4.363 1.00 . A A . 16 DHA CB 1 1
2 435 1 1 16 DHA H H -4.675 0.549 -2.162 1.00 . A A . 16 DHA H 1 1
2 436 1 1 16 DHA HB1 H -5.986 0.492 -5.045 1.00 . A A . 16 DHA HB1 1 1
2 437 1 1 16 DHA HB2 H -7.495 1.531 -4.740 1.00 . A A . 16 DHA HB2 1 1
2 438 1 1 16 DHA N N -5.439 0.111 -2.590 1.00 . A A . 16 DHA N 1 1
2 439 1 1 16 DHA O O -8.129 2.370 -2.486 1.00 . A A . 16 DHA O 1 1
2 440 1 1 17 GLU C C -7.509 2.579 0.853 1.00 . A A . 17 GLU C 1 1
2 441 1 1 17 GLU CA C -8.296 1.489 0.130 1.00 . A A . 17 GLU CA 1 1
2 442 1 1 17 GLU CB C -8.751 0.412 1.119 1.00 . A A . 17 GLU CB 1 1
2 443 1 1 17 GLU CD C -11.080 1.325 1.448 1.00 . A A . 17 GLU CD 1 1
2 444 1 1 17 GLU CG C -9.790 0.896 2.117 1.00 . A A . 17 GLU CG 1 1
2 445 1 1 17 GLU H H -6.866 0.166 -0.691 1.00 . A A . 17 GLU H 1 1
2 446 1 1 17 GLU HA H -9.164 1.930 -0.337 1.00 . A A . 17 GLU HA 1 1
2 447 1 1 17 GLU HB2 H -9.174 -0.412 0.566 1.00 . A A . 17 GLU HB2 1 1
2 448 1 1 17 GLU HB3 H -7.891 0.061 1.670 1.00 . A A . 17 GLU HB3 1 1
2 449 1 1 17 GLU HG2 H -10.010 0.092 2.804 1.00 . A A . 17 GLU HG2 1 1
2 450 1 1 17 GLU HG3 H -9.385 1.736 2.662 1.00 . A A . 17 GLU HG3 1 1
2 451 1 1 17 GLU N N -7.469 0.906 -0.918 1.00 . A A . 17 GLU N 1 1
2 452 1 1 17 GLU O O -8.064 3.599 1.262 1.00 . A A . 17 GLU O 1 1
2 453 1 1 17 GLU OE1 O -11.082 2.365 0.756 1.00 . A A . 17 GLU OE1 1 1
2 454 1 1 17 GLU OE2 O -12.097 0.612 1.593 1.00 . A A . 17 GLU OE2 1 1
2 455 1 1 18 CYS C C -4.940 4.414 0.314 1.00 . A A . 18 CYS C 1 1
2 456 1 1 18 CYS CA C -5.305 3.433 1.410 1.00 . A A . 18 CYS CA 1 1
2 457 1 1 18 CYS CB C -4.022 2.809 1.960 1.00 . A A . 18 CYS CB 1 1
2 458 1 1 18 CYS H H -5.811 1.620 0.452 1.00 . A A . 18 CYS H 1 1
2 459 1 1 18 CYS HA H -5.822 3.956 2.203 1.00 . A A . 18 CYS HA 1 1
2 460 1 1 18 CYS HB2 H -3.667 2.077 1.248 1.00 . A A . 18 CYS HB2 1 1
2 461 1 1 18 CYS HB3 H -3.279 3.590 2.052 1.00 . A A . 18 CYS HB3 1 1
2 462 1 1 18 CYS N N -6.195 2.415 0.875 1.00 . A A . 18 CYS N 1 1
2 463 1 1 18 CYS O O -5.630 5.412 0.099 1.00 . A A . 18 CYS O 1 1
2 464 1 1 18 CYS SG S -4.201 1.981 3.558 1.00 . A A . 18 CYS SG 1 1
2 465 1 1 19 ILE C C -3.880 4.359 -2.832 1.00 . A A . 19 ILE C 1 1
2 466 1 1 19 ILE CA C -3.437 4.950 -1.493 1.00 . A A . 19 ILE CA 1 1
2 467 1 1 19 ILE CB C -1.907 5.150 -1.497 1.00 . A A . 19 ILE CB 1 1
2 468 1 1 19 ILE CD1 C -1.945 6.759 0.491 1.00 . A A . 19 ILE CD1 1 1
2 469 1 1 19 ILE CG1 C -1.393 5.473 -0.089 1.00 . A A . 19 ILE CG1 1 1
2 470 1 1 19 ILE CG2 C -1.528 6.262 -2.469 1.00 . A A . 19 ILE CG2 1 1
2 471 1 1 19 ILE H H -3.371 3.290 -0.195 1.00 . A A . 19 ILE H 1 1
2 472 1 1 19 ILE HA H -3.904 5.911 -1.356 1.00 . A A . 19 ILE HA 1 1
2 473 1 1 19 ILE HB H -1.447 4.234 -1.839 1.00 . A A . 19 ILE HB 1 1
2 474 1 1 19 ILE HD11 H -2.929 6.941 0.086 1.00 . A A . 19 ILE HD11 1 1
2 475 1 1 19 ILE HD12 H -1.291 7.580 0.234 1.00 . A A . 19 ILE HD12 1 1
2 476 1 1 19 ILE HD13 H -2.008 6.671 1.565 1.00 . A A . 19 ILE HD13 1 1
2 477 1 1 19 ILE HG12 H -1.665 4.669 0.577 1.00 . A A . 19 ILE HG12 1 1
2 478 1 1 19 ILE HG13 H -0.316 5.560 -0.118 1.00 . A A . 19 ILE HG13 1 1
2 479 1 1 19 ILE HG21 H -1.761 7.221 -2.028 1.00 . A A . 19 ILE HG21 1 1
2 480 1 1 19 ILE HG22 H -2.084 6.142 -3.388 1.00 . A A . 19 ILE HG22 1 1
2 481 1 1 19 ILE HG23 H -0.469 6.210 -2.680 1.00 . A A . 19 ILE HG23 1 1
2 482 1 1 19 ILE N N -3.873 4.103 -0.405 1.00 . A A . 19 ILE N 1 1
2 483 1 1 19 ILE O O -4.888 4.775 -3.399 1.00 . A A . 19 ILE O 1 1
2 484 1 1 20 TEE CA C -3.509 2.750 -4.492 1.00 . A A . 20 TEE CA 1 1
2 485 1 1 20 TEE CB C -3.375 1.354 -4.656 1.00 . A A . 20 TEE CB 1 1
2 486 1 1 20 TEE HA H -4.538 2.421 -4.578 1.00 . A A . 20 TEE HA 1 1
2 487 1 1 20 TEE HB2 H -2.448 0.868 -4.394 1.00 . A A . 20 TEE HB2 1 1
2 488 1 1 20 TEE HN1 H -2.398 3.045 -2.755 1.00 . A A . 20 TEE HN1 1 1
2 489 1 1 20 TEE N N -3.156 3.343 -3.302 1.00 . A A . 20 TEE N 1 1
2 490 1 1 20 TEE SG S -2.497 0.834 -3.165 1.00 . A A . 20 TEE SG 1 1
3 491 1 1 1 CYS C C 9.775 3.391 2.455 1.00 . A A . 1 CYS C 1 1
3 492 1 1 1 CYS CA C 10.894 4.276 1.887 1.00 . A A . 1 CYS CA 1 1
3 493 1 1 1 CYS CB C 10.418 5.724 1.715 1.00 . A A . 1 CYS CB 1 1
3 494 1 1 1 CYS H1 H 11.272 4.488 -0.154 1.00 . A A . 1 CYS H1 1 1
3 495 1 1 1 CYS H2 H 10.893 2.901 0.320 1.00 . A A . 1 CYS H2 1 1
3 496 1 1 1 CYS H3 H 12.415 3.552 0.671 1.00 . A A . 1 CYS H3 1 1
3 497 1 1 1 CYS HA H 11.716 4.265 2.585 1.00 . A A . 1 CYS HA 1 1
3 498 1 1 1 CYS HB2 H 10.732 6.294 2.575 1.00 . A A . 1 CYS HB2 1 1
3 499 1 1 1 CYS HB3 H 10.892 6.138 0.834 1.00 . A A . 1 CYS HB3 1 1
3 500 1 1 1 CYS N N 11.400 3.771 0.591 1.00 . A A . 1 CYS N 1 1
3 501 1 1 1 CYS O O 9.838 3.016 3.626 1.00 . A A . 1 CYS O 1 1
3 502 1 1 1 CYS SG S 8.635 5.920 1.540 1.00 . A A . 1 CYS SG 1 1
3 503 1 1 2 ABA C C 7.469 2.607 -0.370 1.00 . A A . 2 ABA C 1 1
3 504 1 1 2 ABA CA C 8.615 3.394 0.253 1.00 . A A . 2 ABA CA 1 1
3 505 1 1 2 ABA CB C 8.326 4.900 0.092 1.00 . A A . 2 ABA CB 1 1
3 506 1 1 2 ABA CG C 8.396 5.310 -1.372 1.00 . A A . 2 ABA CG 1 1
3 507 1 1 2 ABA H H 8.070 2.425 2.045 1.00 . A A . 2 ABA H 1 1
3 508 1 1 2 ABA HA H 9.535 3.157 -0.265 1.00 . A A . 2 ABA HA 1 1
3 509 1 1 2 ABA HB3 H 7.324 5.091 0.445 1.00 . A A . 2 ABA HB3 1 1
3 510 1 1 2 ABA HG1 H 7.583 4.854 -1.915 1.00 . A A . 2 ABA HG1 1 1
3 511 1 1 2 ABA HG2 H 9.338 4.984 -1.794 1.00 . A A . 2 ABA HG2 1 1
3 512 1 1 2 ABA HG3 H 8.322 6.385 -1.448 1.00 . A A . 2 ABA HG3 1 1
3 513 1 1 2 ABA N N 8.763 3.008 1.658 1.00 . A A . 2 ABA N 1 1
3 514 1 1 2 ABA O O 7.672 1.779 -1.259 1.00 . A A . 2 ABA O 1 1
3 515 1 1 3 PHE C C 4.620 2.513 -1.639 1.00 . A A . 3 PHE C 1 1
3 516 1 1 3 PHE CA C 5.094 2.074 -0.250 1.00 . A A . 3 PHE CA 1 1
3 517 1 1 3 PHE CB C 3.968 2.227 0.785 1.00 . A A . 3 PHE CB 1 1
3 518 1 1 3 PHE CD1 C 3.693 4.718 0.459 1.00 . A A . 3 PHE CD1 1 1
3 519 1 1 3 PHE CD2 C 3.690 3.850 2.681 1.00 . A A . 3 PHE CD2 1 1
3 520 1 1 3 PHE CE1 C 3.523 5.996 0.957 1.00 . A A . 3 PHE CE1 1 1
3 521 1 1 3 PHE CE2 C 3.519 5.126 3.182 1.00 . A A . 3 PHE CE2 1 1
3 522 1 1 3 PHE CG C 3.784 3.629 1.315 1.00 . A A . 3 PHE CG 1 1
3 523 1 1 3 PHE CZ C 3.433 6.201 2.319 1.00 . A A . 3 PHE CZ 1 1
3 524 1 1 3 PHE H H 6.200 3.425 0.935 1.00 . A A . 3 PHE H 1 1
3 525 1 1 3 PHE HA H 5.369 1.032 -0.302 1.00 . A A . 3 PHE HA 1 1
3 526 1 1 3 PHE HB2 H 3.036 1.923 0.336 1.00 . A A . 3 PHE HB2 1 1
3 527 1 1 3 PHE HB3 H 4.177 1.584 1.626 1.00 . A A . 3 PHE HB3 1 1
3 528 1 1 3 PHE HD1 H 3.763 4.561 -0.606 1.00 . A A . 3 PHE HD1 1 1
3 529 1 1 3 PHE HD2 H 3.756 3.012 3.357 1.00 . A A . 3 PHE HD2 1 1
3 530 1 1 3 PHE HE1 H 3.455 6.835 0.279 1.00 . A A . 3 PHE HE1 1 1
3 531 1 1 3 PHE HE2 H 3.447 5.282 4.248 1.00 . A A . 3 PHE HE2 1 1
3 532 1 1 3 PHE HZ H 3.297 7.198 2.710 1.00 . A A . 3 PHE HZ 1 1
3 533 1 1 3 PHE N N 6.276 2.807 0.179 1.00 . A A . 3 PHE N 1 1
3 534 1 1 3 PHE O O 5.327 3.205 -2.373 1.00 . A A . 3 PHE O 1 1
3 535 1 1 4 ABA C C 2.705 1.004 -4.064 1.00 . A A . 4 ABA C 1 1
3 536 1 1 4 ABA CA C 2.857 2.320 -3.313 1.00 . A A . 4 ABA CA 1 1
3 537 1 1 4 ABA CB C 1.483 3.021 -3.199 1.00 . A A . 4 ABA CB 1 1
3 538 1 1 4 ABA CG C 1.662 4.531 -3.157 1.00 . A A . 4 ABA CG 1 1
3 539 1 1 4 ABA H H 2.943 1.491 -1.380 1.00 . A A . 4 ABA H 1 1
3 540 1 1 4 ABA HA H 3.530 2.962 -3.855 1.00 . A A . 4 ABA HA 1 1
3 541 1 1 4 ABA HB3 H 1.021 2.716 -2.272 1.00 . A A . 4 ABA HB3 1 1
3 542 1 1 4 ABA HG1 H 1.860 4.841 -2.142 1.00 . A A . 4 ABA HG1 1 1
3 543 1 1 4 ABA HG2 H 0.762 5.013 -3.513 1.00 . A A . 4 ABA HG2 1 1
3 544 1 1 4 ABA HG3 H 2.493 4.810 -3.788 1.00 . A A . 4 ABA HG3 1 1
3 545 1 1 4 ABA N N 3.433 2.059 -2.001 1.00 . A A . 4 ABA N 1 1
3 546 1 1 4 ABA O O 1.724 0.285 -3.878 1.00 . A A . 4 ABA O 1 1
3 547 1 1 5 LEU C C 5.075 -1.479 -4.653 1.00 . A A . 5 LEU C 1 1
3 548 1 1 5 LEU CA C 3.866 -0.760 -5.255 1.00 . A A . 5 LEU CA 1 1
3 549 1 1 5 LEU CB C 3.984 -0.711 -6.782 1.00 . A A . 5 LEU CB 1 1
3 550 1 1 5 LEU CD1 C 3.081 0.027 -9.001 1.00 . A A . 5 LEU CD1 1 1
3 551 1 1 5 LEU CD2 C 1.527 -0.882 -7.268 1.00 . A A . 5 LEU CD2 1 1
3 552 1 1 5 LEU CG C 2.795 -0.079 -7.512 1.00 . A A . 5 LEU CG 1 1
3 553 1 1 5 LEU H H 4.604 1.131 -4.668 1.00 . A A . 5 LEU H 1 1
3 554 1 1 5 LEU HA H 2.966 -1.294 -4.982 1.00 . A A . 5 LEU HA 1 1
3 555 1 1 5 LEU HB2 H 4.872 -0.147 -7.034 1.00 . A A . 5 LEU HB2 1 1
3 556 1 1 5 LEU HB3 H 4.106 -1.720 -7.146 1.00 . A A . 5 LEU HB3 1 1
3 557 1 1 5 LEU HD11 H 2.267 0.544 -9.489 1.00 . A A . 5 LEU HD11 1 1
3 558 1 1 5 LEU HD12 H 3.181 -0.963 -9.419 1.00 . A A . 5 LEU HD12 1 1
3 559 1 1 5 LEU HD13 H 3.998 0.576 -9.151 1.00 . A A . 5 LEU HD13 1 1
3 560 1 1 5 LEU HD21 H 0.899 -0.358 -6.562 1.00 . A A . 5 LEU HD21 1 1
3 561 1 1 5 LEU HD22 H 1.786 -1.851 -6.868 1.00 . A A . 5 LEU HD22 1 1
3 562 1 1 5 LEU HD23 H 0.994 -1.008 -8.200 1.00 . A A . 5 LEU HD23 1 1
3 563 1 1 5 LEU HG H 2.638 0.919 -7.133 1.00 . A A . 5 LEU HG 1 1
3 564 1 1 5 LEU N N 3.785 0.583 -4.703 1.00 . A A . 5 LEU N 1 1
3 565 1 1 5 LEU O O 6.109 -1.620 -5.306 1.00 . A A . 5 LEU O 1 1
3 566 1 1 6 PRO C C 6.400 -3.905 -3.108 1.00 . A A . 6 PRO C 1 1
3 567 1 1 6 PRO CA C 6.104 -2.485 -2.641 1.00 . A A . 6 PRO CA 1 1
3 568 1 1 6 PRO CB C 5.645 -2.476 -1.174 1.00 . A A . 6 PRO CB 1 1
3 569 1 1 6 PRO CD C 3.827 -1.675 -2.489 1.00 . A A . 6 PRO CD 1 1
3 570 1 1 6 PRO CG C 4.455 -1.576 -1.134 1.00 . A A . 6 PRO CG 1 1
3 571 1 1 6 PRO HA H 7.000 -1.892 -2.738 1.00 . A A . 6 PRO HA 1 1
3 572 1 1 6 PRO HB2 H 5.391 -3.481 -0.869 1.00 . A A . 6 PRO HB2 1 1
3 573 1 1 6 PRO HB3 H 6.444 -2.101 -0.551 1.00 . A A . 6 PRO HB3 1 1
3 574 1 1 6 PRO HD2 H 3.160 -2.524 -2.536 1.00 . A A . 6 PRO HD2 1 1
3 575 1 1 6 PRO HD3 H 3.303 -0.764 -2.732 1.00 . A A . 6 PRO HD3 1 1
3 576 1 1 6 PRO HG2 H 3.766 -1.914 -0.374 1.00 . A A . 6 PRO HG2 1 1
3 577 1 1 6 PRO HG3 H 4.766 -0.560 -0.937 1.00 . A A . 6 PRO HG3 1 1
3 578 1 1 6 PRO N N 4.988 -1.868 -3.367 1.00 . A A . 6 PRO N 1 1
3 579 1 1 6 PRO O O 7.326 -4.128 -3.890 1.00 . A A . 6 PRO O 1 1
3 580 1 1 7 GLY C C 5.999 -7.129 -1.745 1.00 . A A . 7 GLY C 1 1
3 581 1 1 7 GLY CA C 5.848 -6.250 -2.970 1.00 . A A . 7 GLY CA 1 1
3 582 1 1 7 GLY H H 4.895 -4.630 -2.005 1.00 . A A . 7 GLY H 1 1
3 583 1 1 7 GLY HA2 H 5.010 -6.601 -3.553 1.00 . A A . 7 GLY HA2 1 1
3 584 1 1 7 GLY HA3 H 6.746 -6.319 -3.566 1.00 . A A . 7 GLY HA3 1 1
3 585 1 1 7 GLY N N 5.626 -4.864 -2.617 1.00 . A A . 7 GLY N 1 1
3 586 1 1 7 GLY O O 5.780 -8.340 -1.810 1.00 . A A . 7 GLY O 1 1
3 587 1 1 8 GLY C C 6.925 -6.421 1.780 1.00 . A A . 8 GLY C 1 1
3 588 1 1 8 GLY CA C 6.569 -7.292 0.592 1.00 . A A . 8 GLY CA 1 1
3 589 1 1 8 GLY H H 6.577 -5.567 -0.635 1.00 . A A . 8 GLY H 1 1
3 590 1 1 8 GLY HA2 H 5.655 -7.823 0.810 1.00 . A A . 8 GLY HA2 1 1
3 591 1 1 8 GLY HA3 H 7.362 -8.009 0.438 1.00 . A A . 8 GLY HA3 1 1
3 592 1 1 8 GLY N N 6.388 -6.530 -0.627 1.00 . A A . 8 GLY N 1 1
3 593 1 1 8 GLY O O 7.475 -5.327 1.616 1.00 . A A . 8 GLY O 1 1
3 594 1 1 9 GLY C C 6.071 -4.953 4.374 1.00 . A A . 9 GLY C 1 1
3 595 1 1 9 GLY CA C 6.944 -6.176 4.188 1.00 . A A . 9 GLY CA 1 1
3 596 1 1 9 GLY H H 6.191 -7.792 3.044 1.00 . A A . 9 GLY H 1 1
3 597 1 1 9 GLY HA2 H 6.815 -6.830 5.038 1.00 . A A . 9 GLY HA2 1 1
3 598 1 1 9 GLY HA3 H 7.978 -5.863 4.143 1.00 . A A . 9 GLY HA3 1 1
3 599 1 1 9 GLY N N 6.627 -6.912 2.978 1.00 . A A . 9 GLY N 1 1
3 600 1 1 9 GLY O O 6.503 -3.951 4.949 1.00 . A A . 9 GLY O 1 1
3 601 1 1 10 GLY C C 3.477 -3.429 2.607 1.00 . A A . 10 GLY C 1 1
3 602 1 1 10 GLY CA C 3.935 -3.909 3.967 1.00 . A A . 10 GLY CA 1 1
3 603 1 1 10 GLY H H 4.579 -5.835 3.378 1.00 . A A . 10 GLY H 1 1
3 604 1 1 10 GLY HA2 H 3.071 -4.215 4.539 1.00 . A A . 10 GLY HA2 1 1
3 605 1 1 10 GLY HA3 H 4.425 -3.094 4.479 1.00 . A A . 10 GLY HA3 1 1
3 606 1 1 10 GLY N N 4.851 -5.024 3.866 1.00 . A A . 10 GLY N 1 1
3 607 1 1 10 GLY O O 4.269 -3.370 1.667 1.00 . A A . 10 GLY O 1 1
3 608 1 1 11 VAL C C 1.207 -1.157 1.367 1.00 . A A . 11 VAL C 1 1
3 609 1 1 11 VAL CA C 1.637 -2.616 1.247 1.00 . A A . 11 VAL CA 1 1
3 610 1 1 11 VAL CB C 0.421 -3.474 0.811 1.00 . A A . 11 VAL CB 1 1
3 611 1 1 11 VAL CG1 C 0.137 -3.292 -0.675 1.00 . A A . 11 VAL CG1 1 1
3 612 1 1 11 VAL CG2 C 0.645 -4.944 1.137 1.00 . A A . 11 VAL CG2 1 1
3 613 1 1 11 VAL H H 1.625 -3.146 3.297 1.00 . A A . 11 VAL H 1 1
3 614 1 1 11 VAL HA H 2.401 -2.696 0.487 1.00 . A A . 11 VAL HA 1 1
3 615 1 1 11 VAL HB H -0.446 -3.137 1.360 1.00 . A A . 11 VAL HB 1 1
3 616 1 1 11 VAL HG11 H -0.424 -4.139 -1.043 1.00 . A A . 11 VAL HG11 1 1
3 617 1 1 11 VAL HG12 H 1.071 -3.219 -1.213 1.00 . A A . 11 VAL HG12 1 1
3 618 1 1 11 VAL HG13 H -0.435 -2.387 -0.825 1.00 . A A . 11 VAL HG13 1 1
3 619 1 1 11 VAL HG21 H 0.767 -5.064 2.204 1.00 . A A . 11 VAL HG21 1 1
3 620 1 1 11 VAL HG22 H 1.535 -5.292 0.633 1.00 . A A . 11 VAL HG22 1 1
3 621 1 1 11 VAL HG23 H -0.205 -5.522 0.803 1.00 . A A . 11 VAL HG23 1 1
3 622 1 1 11 VAL N N 2.204 -3.080 2.505 1.00 . A A . 11 VAL N 1 1
3 623 1 1 11 VAL O O 1.146 -0.604 2.466 1.00 . A A . 11 VAL O 1 1
3 624 1 1 12 CYS C C -0.986 0.935 0.663 1.00 . A A . 12 CYS C 1 1
3 625 1 1 12 CYS CA C 0.454 0.821 0.166 1.00 . A A . 12 CYS CA 1 1
3 626 1 1 12 CYS CB C 0.567 1.241 -1.277 1.00 . A A . 12 CYS CB 1 1
3 627 1 1 12 CYS H H 0.933 -1.054 -0.607 1.00 . A A . 12 CYS H 1 1
3 628 1 1 12 CYS HA H 1.095 1.429 0.764 1.00 . A A . 12 CYS HA 1 1
3 629 1 1 12 CYS HB2 H 1.428 0.753 -1.712 1.00 . A A . 12 CYS HB2 1 1
3 630 1 1 12 CYS HB3 H -0.302 0.891 -1.776 1.00 . A A . 12 CYS HB3 1 1
3 631 1 1 12 CYS N N 0.899 -0.548 0.231 1.00 . A A . 12 CYS N 1 1
3 632 1 1 12 CYS O O -1.934 0.946 -0.129 1.00 . A A . 12 CYS O 1 1
3 633 1 1 12 CYS SG S 0.729 3.011 -1.553 1.00 . A A . 12 CYS SG 1 1
3 634 1 1 13 ABA C C -2.849 -0.834 2.544 1.00 . A A . 13 ABA C 1 1
3 635 1 1 13 ABA CA C -2.491 0.644 2.518 1.00 . A A . 13 ABA CA 1 1
3 636 1 1 13 ABA CB C -2.630 1.262 3.924 1.00 . A A . 13 ABA CB 1 1
3 637 1 1 13 ABA CG C -1.647 2.411 4.117 1.00 . A A . 13 ABA CG 1 1
3 638 1 1 13 ABA H H -0.391 0.563 2.523 1.00 . A A . 13 ABA H 1 1
3 639 1 1 13 ABA HA H -3.177 1.150 1.853 1.00 . A A . 13 ABA HA 1 1
3 640 1 1 13 ABA HB3 H -2.401 0.499 4.654 1.00 . A A . 13 ABA HB3 1 1
3 641 1 1 13 ABA HG1 H -2.194 3.336 4.229 1.00 . A A . 13 ABA HG1 1 1
3 642 1 1 13 ABA HG2 H -0.997 2.476 3.258 1.00 . A A . 13 ABA HG2 1 1
3 643 1 1 13 ABA HG3 H -1.054 2.232 5.003 1.00 . A A . 13 ABA HG3 1 1
3 644 1 1 13 ABA N N -1.163 0.783 1.963 1.00 . A A . 13 ABA N 1 1
3 645 1 1 13 ABA O O -2.468 -1.578 3.448 1.00 . A A . 13 ABA O 1 1
3 646 1 1 14 LEU C C -3.516 -2.867 -0.393 1.00 . A A . 14 LEU C 1 1
3 647 1 1 14 LEU CA C -3.583 -2.672 1.120 1.00 . A A . 14 LEU CA 1 1
3 648 1 1 14 LEU CB C -4.938 -3.129 1.664 1.00 . A A . 14 LEU CB 1 1
3 649 1 1 14 LEU CD1 C -4.238 -5.469 2.232 1.00 . A A . 14 LEU CD1 1 1
3 650 1 1 14 LEU CD2 C -6.659 -4.926 1.937 1.00 . A A . 14 LEU CD2 1 1
3 651 1 1 14 LEU CG C -5.246 -4.614 1.477 1.00 . A A . 14 LEU CG 1 1
3 652 1 1 14 LEU H H -3.407 -0.628 0.677 1.00 . A A . 14 LEU H 1 1
3 653 1 1 14 LEU HA H -2.794 -3.244 1.586 1.00 . A A . 14 LEU HA 1 1
3 654 1 1 14 LEU HB2 H -4.972 -2.906 2.721 1.00 . A A . 14 LEU HB2 1 1
3 655 1 1 14 LEU HB3 H -5.712 -2.559 1.170 1.00 . A A . 14 LEU HB3 1 1
3 656 1 1 14 LEU HD11 H -3.717 -4.859 2.952 1.00 . A A . 14 LEU HD11 1 1
3 657 1 1 14 LEU HD12 H -3.530 -5.890 1.534 1.00 . A A . 14 LEU HD12 1 1
3 658 1 1 14 LEU HD13 H -4.756 -6.268 2.744 1.00 . A A . 14 LEU HD13 1 1
3 659 1 1 14 LEU HD21 H -6.969 -5.875 1.526 1.00 . A A . 14 LEU HD21 1 1
3 660 1 1 14 LEU HD22 H -7.327 -4.150 1.597 1.00 . A A . 14 LEU HD22 1 1
3 661 1 1 14 LEU HD23 H -6.681 -4.975 3.015 1.00 . A A . 14 LEU HD23 1 1
3 662 1 1 14 LEU HG H -5.171 -4.860 0.427 1.00 . A A . 14 LEU HG 1 1
3 663 1 1 14 LEU N N -3.356 -1.264 1.410 1.00 . A A . 14 LEU N 1 1
3 664 1 1 14 LEU O O -3.209 -3.945 -0.896 1.00 . A A . 14 LEU O 1 1
3 665 1 1 15 ABA C C -5.118 -1.141 -3.031 1.00 . A A . 15 ABA C 1 1
3 666 1 1 15 ABA CA C -3.815 -1.753 -2.549 1.00 . A A . 15 ABA CA 1 1
3 667 1 1 15 ABA CB C -2.658 -0.888 -3.081 1.00 . A A . 15 ABA CB 1 1
3 668 1 1 15 ABA CG C -1.679 -1.700 -3.916 1.00 . A A . 15 ABA CG 1 1
3 669 1 1 15 ABA H H -4.059 -0.974 -0.618 1.00 . A A . 15 ABA H 1 1
3 670 1 1 15 ABA HA H -3.715 -2.759 -2.927 1.00 . A A . 15 ABA HA 1 1
3 671 1 1 15 ABA HB3 H -2.138 -0.454 -2.247 1.00 . A A . 15 ABA HB3 1 1
3 672 1 1 15 ABA HG1 H -1.572 -2.686 -3.490 1.00 . A A . 15 ABA HG1 1 1
3 673 1 1 15 ABA HG2 H -0.718 -1.206 -3.925 1.00 . A A . 15 ABA HG2 1 1
3 674 1 1 15 ABA HG3 H -2.050 -1.782 -4.928 1.00 . A A . 15 ABA HG3 1 1
3 675 1 1 15 ABA N N -3.808 -1.783 -1.096 1.00 . A A . 15 ABA N 1 1
3 676 1 1 15 ABA O O -5.919 -1.779 -3.712 1.00 . A A . 15 ABA O 1 1
3 677 1 1 16 DHA C C -7.302 1.320 -2.109 1.00 . A A . 16 DHA C 1 1
3 678 1 1 16 DHA CA C -6.390 0.822 -3.071 1.00 . A A . 16 DHA CA 1 1
3 679 1 1 16 DHA CB C -6.577 1.062 -4.373 1.00 . A A . 16 DHA CB 1 1
3 680 1 1 16 DHA H H -4.559 0.530 -2.160 1.00 . A A . 16 DHA H 1 1
3 681 1 1 16 DHA HB1 H -5.869 0.685 -5.098 1.00 . A A . 16 DHA HB1 1 1
3 682 1 1 16 DHA HB2 H -7.399 1.660 -4.693 1.00 . A A . 16 DHA HB2 1 1
3 683 1 1 16 DHA N N -5.286 0.127 -2.675 1.00 . A A . 16 DHA N 1 1
3 684 1 1 16 DHA O O -8.092 2.220 -2.386 1.00 . A A . 16 DHA O 1 1
3 685 1 1 17 GLU C C -7.427 2.403 0.908 1.00 . A A . 17 GLU C 1 1
3 686 1 1 17 GLU CA C -8.062 1.211 0.204 1.00 . A A . 17 GLU CA 1 1
3 687 1 1 17 GLU CB C -8.232 0.060 1.194 1.00 . A A . 17 GLU CB 1 1
3 688 1 1 17 GLU CD C -9.046 -0.695 3.452 1.00 . A A . 17 GLU CD 1 1
3 689 1 1 17 GLU CG C -9.107 0.384 2.392 1.00 . A A . 17 GLU CG 1 1
3 690 1 1 17 GLU H H -6.585 0.039 -0.757 1.00 . A A . 17 GLU H 1 1
3 691 1 1 17 GLU HA H -9.025 1.497 -0.192 1.00 . A A . 17 GLU HA 1 1
3 692 1 1 17 GLU HB2 H -8.673 -0.776 0.674 1.00 . A A . 17 GLU HB2 1 1
3 693 1 1 17 GLU HB3 H -7.257 -0.229 1.556 1.00 . A A . 17 GLU HB3 1 1
3 694 1 1 17 GLU HG2 H -8.772 1.315 2.826 1.00 . A A . 17 GLU HG2 1 1
3 695 1 1 17 GLU HG3 H -10.128 0.487 2.059 1.00 . A A . 17 GLU HG3 1 1
3 696 1 1 17 GLU N N -7.211 0.781 -0.898 1.00 . A A . 17 GLU N 1 1
3 697 1 1 17 GLU O O -8.099 3.378 1.249 1.00 . A A . 17 GLU O 1 1
3 698 1 1 17 GLU OE1 O -9.358 -1.865 3.136 1.00 . A A . 17 GLU OE1 1 1
3 699 1 1 17 GLU OE2 O -8.705 -0.381 4.609 1.00 . A A . 17 GLU OE2 1 1
3 700 1 1 18 CYS C C -5.001 4.437 0.422 1.00 . A A . 18 CYS C 1 1
3 701 1 1 18 CYS CA C -5.351 3.482 1.541 1.00 . A A . 18 CYS CA 1 1
3 702 1 1 18 CYS CB C -4.064 2.990 2.198 1.00 . A A . 18 CYS CB 1 1
3 703 1 1 18 CYS H H -5.626 1.607 0.624 1.00 . A A . 18 CYS H 1 1
3 704 1 1 18 CYS HA H -5.963 3.993 2.272 1.00 . A A . 18 CYS HA 1 1
3 705 1 1 18 CYS HB2 H -3.395 2.653 1.418 1.00 . A A . 18 CYS HB2 1 1
3 706 1 1 18 CYS HB3 H -3.601 3.816 2.714 1.00 . A A . 18 CYS HB3 1 1
3 707 1 1 18 CYS N N -6.107 2.368 1.001 1.00 . A A . 18 CYS N 1 1
3 708 1 1 18 CYS O O -5.695 5.421 0.183 1.00 . A A . 18 CYS O 1 1
3 709 1 1 18 CYS SG S -4.320 1.643 3.383 1.00 . A A . 18 CYS SG 1 1
3 710 1 1 19 ILE C C -3.862 4.359 -2.718 1.00 . A A . 19 ILE C 1 1
3 711 1 1 19 ILE CA C -3.465 4.954 -1.363 1.00 . A A . 19 ILE CA 1 1
3 712 1 1 19 ILE CB C -1.939 5.184 -1.298 1.00 . A A . 19 ILE CB 1 1
3 713 1 1 19 ILE CD1 C -0.065 5.930 0.273 1.00 . A A . 19 ILE CD1 1 1
3 714 1 1 19 ILE CG1 C -1.555 5.741 0.076 1.00 . A A . 19 ILE CG1 1 1
3 715 1 1 19 ILE CG2 C -1.494 6.131 -2.405 1.00 . A A . 19 ILE CG2 1 1
3 716 1 1 19 ILE H H -3.412 3.325 -0.030 1.00 . A A . 19 ILE H 1 1
3 717 1 1 19 ILE HA H -3.949 5.903 -1.244 1.00 . A A . 19 ILE HA 1 1
3 718 1 1 19 ILE HB H -1.446 4.236 -1.446 1.00 . A A . 19 ILE HB 1 1
3 719 1 1 19 ILE HD11 H 0.474 5.204 -0.317 1.00 . A A . 19 ILE HD11 1 1
3 720 1 1 19 ILE HD12 H 0.180 5.798 1.317 1.00 . A A . 19 ILE HD12 1 1
3 721 1 1 19 ILE HD13 H 0.215 6.926 -0.039 1.00 . A A . 19 ILE HD13 1 1
3 722 1 1 19 ILE HG12 H -2.029 6.701 0.208 1.00 . A A . 19 ILE HG12 1 1
3 723 1 1 19 ILE HG13 H -1.908 5.064 0.841 1.00 . A A . 19 ILE HG13 1 1
3 724 1 1 19 ILE HG21 H -0.422 6.075 -2.516 1.00 . A A . 19 ILE HG21 1 1
3 725 1 1 19 ILE HG22 H -1.778 7.142 -2.150 1.00 . A A . 19 ILE HG22 1 1
3 726 1 1 19 ILE HG23 H -1.968 5.846 -3.333 1.00 . A A . 19 ILE HG23 1 1
3 727 1 1 19 ILE N N -3.924 4.120 -0.276 1.00 . A A . 19 ILE N 1 1
3 728 1 1 19 ILE O O -4.879 4.749 -3.299 1.00 . A A . 19 ILE O 1 1
3 729 1 1 20 TEE CA C -3.374 2.844 -4.433 1.00 . A A . 20 TEE CA 1 1
3 730 1 1 20 TEE CB C -3.197 1.459 -4.643 1.00 . A A . 20 TEE CB 1 1
3 731 1 1 20 TEE HA H -4.411 2.529 -4.508 1.00 . A A . 20 TEE HA 1 1
3 732 1 1 20 TEE HB2 H -3.668 0.746 -3.980 1.00 . A A . 20 TEE HB2 1 1
3 733 1 1 20 TEE HN1 H -2.286 3.158 -2.681 1.00 . A A . 20 TEE HN1 1 1
3 734 1 1 20 TEE N N -3.072 3.409 -3.213 1.00 . A A . 20 TEE N 1 1
3 735 1 1 20 TEE SG S -2.303 0.881 -3.189 1.00 . A A . 20 TEE SG 1 1
4 736 1 1 1 CYS C C 10.120 1.433 0.543 1.00 . A A . 1 CYS C 1 1
4 737 1 1 1 CYS CA C 9.030 1.177 1.574 1.00 . A A . 1 CYS CA 1 1
4 738 1 1 1 CYS CB C 9.309 1.979 2.840 1.00 . A A . 1 CYS CB 1 1
4 739 1 1 1 CYS H1 H 9.649 -0.511 2.615 1.00 . A A . 1 CYS H1 1 1
4 740 1 1 1 CYS H2 H 9.090 -0.833 1.046 1.00 . A A . 1 CYS H2 1 1
4 741 1 1 1 CYS H3 H 7.987 -0.473 2.287 1.00 . A A . 1 CYS H3 1 1
4 742 1 1 1 CYS HA H 8.085 1.494 1.162 1.00 . A A . 1 CYS HA 1 1
4 743 1 1 1 CYS HB2 H 8.460 1.899 3.504 1.00 . A A . 1 CYS HB2 1 1
4 744 1 1 1 CYS HB3 H 10.182 1.573 3.326 1.00 . A A . 1 CYS HB3 1 1
4 745 1 1 1 CYS N N 8.932 -0.258 1.903 1.00 . A A . 1 CYS N 1 1
4 746 1 1 1 CYS O O 11.128 0.725 0.514 1.00 . A A . 1 CYS O 1 1
4 747 1 1 1 CYS SG S 9.608 3.725 2.501 1.00 . A A . 1 CYS SG 1 1
4 748 1 1 2 ABA C C 7.476 2.464 -0.670 1.00 . A A . 2 ABA C 1 1
4 749 1 1 2 ABA CA C 8.721 3.277 -0.308 1.00 . A A . 2 ABA CA 1 1
4 750 1 1 2 ABA CB C 8.526 3.961 1.072 1.00 . A A . 2 ABA CB 1 1
4 751 1 1 2 ABA CG C 9.562 5.058 1.272 1.00 . A A . 2 ABA CG 1 1
4 752 1 1 2 ABA H H 10.612 2.613 -0.998 1.00 . A A . 2 ABA H 1 1
4 753 1 1 2 ABA HA H 8.856 4.048 -1.051 1.00 . A A . 2 ABA HA 1 1
4 754 1 1 2 ABA HB3 H 7.543 4.415 1.092 1.00 . A A . 2 ABA HB3 1 1
4 755 1 1 2 ABA HG1 H 10.552 4.624 1.255 1.00 . A A . 2 ABA HG1 1 1
4 756 1 1 2 ABA HG2 H 9.396 5.540 2.224 1.00 . A A . 2 ABA HG2 1 1
4 757 1 1 2 ABA HG3 H 9.474 5.786 0.480 1.00 . A A . 2 ABA HG3 1 1
4 758 1 1 2 ABA N N 9.919 2.430 -0.323 1.00 . A A . 2 ABA N 1 1
4 759 1 1 2 ABA O O 7.581 1.411 -1.307 1.00 . A A . 2 ABA O 1 1
4 760 1 1 3 PHE C C 4.546 2.483 -1.888 1.00 . A A . 3 PHE C 1 1
4 761 1 1 3 PHE CA C 5.069 2.212 -0.475 1.00 . A A . 3 PHE CA 1 1
4 762 1 1 3 PHE CB C 4.030 2.564 0.607 1.00 . A A . 3 PHE CB 1 1
4 763 1 1 3 PHE CD1 C 3.310 4.866 -0.115 1.00 . A A . 3 PHE CD1 1 1
4 764 1 1 3 PHE CD2 C 4.181 4.575 2.084 1.00 . A A . 3 PHE CD2 1 1
4 765 1 1 3 PHE CE1 C 3.132 6.211 0.130 1.00 . A A . 3 PHE CE1 1 1
4 766 1 1 3 PHE CE2 C 4.000 5.918 2.336 1.00 . A A . 3 PHE CE2 1 1
4 767 1 1 3 PHE CG C 3.844 4.034 0.855 1.00 . A A . 3 PHE CG 1 1
4 768 1 1 3 PHE CZ C 3.469 6.736 1.360 1.00 . A A . 3 PHE CZ 1 1
4 769 1 1 3 PHE H H 6.291 3.767 0.278 1.00 . A A . 3 PHE H 1 1
4 770 1 1 3 PHE HA H 5.285 1.159 -0.401 1.00 . A A . 3 PHE HA 1 1
4 771 1 1 3 PHE HB2 H 3.073 2.156 0.328 1.00 . A A . 3 PHE HB2 1 1
4 772 1 1 3 PHE HB3 H 4.340 2.116 1.539 1.00 . A A . 3 PHE HB3 1 1
4 773 1 1 3 PHE HD1 H 3.043 4.455 -1.077 1.00 . A A . 3 PHE HD1 1 1
4 774 1 1 3 PHE HD2 H 4.597 3.936 2.846 1.00 . A A . 3 PHE HD2 1 1
4 775 1 1 3 PHE HE1 H 2.718 6.851 -0.636 1.00 . A A . 3 PHE HE1 1 1
4 776 1 1 3 PHE HE2 H 4.270 6.327 3.297 1.00 . A A . 3 PHE HE2 1 1
4 777 1 1 3 PHE HZ H 3.320 7.786 1.560 1.00 . A A . 3 PHE HZ 1 1
4 778 1 1 3 PHE N N 6.314 2.924 -0.226 1.00 . A A . 3 PHE N 1 1
4 779 1 1 3 PHE O O 5.322 2.731 -2.811 1.00 . A A . 3 PHE O 1 1
4 780 1 1 4 ABA C C 2.636 1.046 -4.050 1.00 . A A . 4 ABA C 1 1
4 781 1 1 4 ABA CA C 2.641 2.423 -3.387 1.00 . A A . 4 ABA CA 1 1
4 782 1 1 4 ABA CB C 1.202 2.988 -3.291 1.00 . A A . 4 ABA CB 1 1
4 783 1 1 4 ABA CG C 1.222 4.503 -3.413 1.00 . A A . 4 ABA CG 1 1
4 784 1 1 4 ABA H H 2.700 2.048 -1.318 1.00 . A A . 4 ABA H 1 1
4 785 1 1 4 ABA HA H 3.233 3.093 -3.984 1.00 . A A . 4 ABA HA 1 1
4 786 1 1 4 ABA HB3 H 0.802 2.736 -2.320 1.00 . A A . 4 ABA HB3 1 1
4 787 1 1 4 ABA HG1 H 2.121 4.807 -3.929 1.00 . A A . 4 ABA HG1 1 1
4 788 1 1 4 ABA HG2 H 1.206 4.946 -2.427 1.00 . A A . 4 ABA HG2 1 1
4 789 1 1 4 ABA HG3 H 0.359 4.835 -3.972 1.00 . A A . 4 ABA HG3 1 1
4 790 1 1 4 ABA N N 3.253 2.321 -2.073 1.00 . A A . 4 ABA N 1 1
4 791 1 1 4 ABA O O 1.702 0.264 -3.881 1.00 . A A . 4 ABA O 1 1
4 792 1 1 5 LEU C C 5.280 -1.210 -4.449 1.00 . A A . 5 LEU C 1 1
4 793 1 1 5 LEU CA C 4.004 -0.671 -5.089 1.00 . A A . 5 LEU CA 1 1
4 794 1 1 5 LEU CB C 4.116 -0.717 -6.617 1.00 . A A . 5 LEU CB 1 1
4 795 1 1 5 LEU CD1 C 3.076 -0.416 -8.878 1.00 . A A . 5 LEU CD1 1 1
4 796 1 1 5 LEU CD2 C 1.738 -1.404 -7.017 1.00 . A A . 5 LEU CD2 1 1
4 797 1 1 5 LEU CG C 2.826 -0.405 -7.378 1.00 . A A . 5 LEU CG 1 1
4 798 1 1 5 LEU H H 4.532 1.315 -4.608 1.00 . A A . 5 LEU H 1 1
4 799 1 1 5 LEU HA H 3.167 -1.276 -4.774 1.00 . A A . 5 LEU HA 1 1
4 800 1 1 5 LEU HB2 H 4.868 -0.004 -6.919 1.00 . A A . 5 LEU HB2 1 1
4 801 1 1 5 LEU HB3 H 4.444 -1.704 -6.902 1.00 . A A . 5 LEU HB3 1 1
4 802 1 1 5 LEU HD11 H 3.507 0.529 -9.177 1.00 . A A . 5 LEU HD11 1 1
4 803 1 1 5 LEU HD12 H 2.141 -0.567 -9.398 1.00 . A A . 5 LEU HD12 1 1
4 804 1 1 5 LEU HD13 H 3.757 -1.217 -9.123 1.00 . A A . 5 LEU HD13 1 1
4 805 1 1 5 LEU HD21 H 1.978 -1.873 -6.074 1.00 . A A . 5 LEU HD21 1 1
4 806 1 1 5 LEU HD22 H 1.672 -2.158 -7.788 1.00 . A A . 5 LEU HD22 1 1
4 807 1 1 5 LEU HD23 H 0.792 -0.891 -6.935 1.00 . A A . 5 LEU HD23 1 1
4 808 1 1 5 LEU HG H 2.482 0.582 -7.104 1.00 . A A . 5 LEU HG 1 1
4 809 1 1 5 LEU N N 3.774 0.688 -4.623 1.00 . A A . 5 LEU N 1 1
4 810 1 1 5 LEU O O 6.366 -1.101 -5.026 1.00 . A A . 5 LEU O 1 1
4 811 1 1 6 PRO C C 6.947 -3.440 -2.998 1.00 . A A . 6 PRO C 1 1
4 812 1 1 6 PRO CA C 6.351 -2.151 -2.435 1.00 . A A . 6 PRO CA 1 1
4 813 1 1 6 PRO CB C 5.808 -2.361 -1.013 1.00 . A A . 6 PRO CB 1 1
4 814 1 1 6 PRO CD C 3.959 -1.749 -2.395 1.00 . A A . 6 PRO CD 1 1
4 815 1 1 6 PRO CG C 4.485 -1.677 -0.991 1.00 . A A . 6 PRO CG 1 1
4 816 1 1 6 PRO HA H 7.123 -1.395 -2.414 1.00 . A A . 6 PRO HA 1 1
4 817 1 1 6 PRO HB2 H 5.711 -3.416 -0.810 1.00 . A A . 6 PRO HB2 1 1
4 818 1 1 6 PRO HB3 H 6.488 -1.916 -0.300 1.00 . A A . 6 PRO HB3 1 1
4 819 1 1 6 PRO HD2 H 3.430 -2.676 -2.558 1.00 . A A . 6 PRO HD2 1 1
4 820 1 1 6 PRO HD3 H 3.321 -0.903 -2.609 1.00 . A A . 6 PRO HD3 1 1
4 821 1 1 6 PRO HG2 H 3.818 -2.189 -0.313 1.00 . A A . 6 PRO HG2 1 1
4 822 1 1 6 PRO HG3 H 4.611 -0.648 -0.690 1.00 . A A . 6 PRO HG3 1 1
4 823 1 1 6 PRO N N 5.187 -1.693 -3.198 1.00 . A A . 6 PRO N 1 1
4 824 1 1 6 PRO O O 7.903 -3.399 -3.773 1.00 . A A . 6 PRO O 1 1
4 825 1 1 7 GLY C C 7.855 -6.473 -2.064 1.00 . A A . 7 GLY C 1 1
4 826 1 1 7 GLY CA C 6.920 -5.847 -3.073 1.00 . A A . 7 GLY CA 1 1
4 827 1 1 7 GLY H H 5.628 -4.568 -1.992 1.00 . A A . 7 GLY H 1 1
4 828 1 1 7 GLY HA2 H 6.098 -6.522 -3.254 1.00 . A A . 7 GLY HA2 1 1
4 829 1 1 7 GLY HA3 H 7.455 -5.686 -3.997 1.00 . A A . 7 GLY HA3 1 1
4 830 1 1 7 GLY N N 6.396 -4.581 -2.605 1.00 . A A . 7 GLY N 1 1
4 831 1 1 7 GLY O O 8.958 -6.898 -2.412 1.00 . A A . 7 GLY O 1 1
4 832 1 1 8 GLY C C 7.596 -7.023 1.599 1.00 . A A . 8 GLY C 1 1
4 833 1 1 8 GLY CA C 8.289 -6.997 0.251 1.00 . A A . 8 GLY CA 1 1
4 834 1 1 8 GLY H H 6.570 -6.083 -0.579 1.00 . A A . 8 GLY H 1 1
4 835 1 1 8 GLY HA2 H 8.584 -8.002 -0.008 1.00 . A A . 8 GLY HA2 1 1
4 836 1 1 8 GLY HA3 H 9.175 -6.385 0.329 1.00 . A A . 8 GLY HA3 1 1
4 837 1 1 8 GLY N N 7.447 -6.470 -0.802 1.00 . A A . 8 GLY N 1 1
4 838 1 1 8 GLY O O 7.034 -8.046 1.992 1.00 . A A . 8 GLY O 1 1
4 839 1 1 9 GLY C C 5.995 -4.844 3.792 1.00 . A A . 9 GLY C 1 1
4 840 1 1 9 GLY CA C 7.095 -5.879 3.661 1.00 . A A . 9 GLY CA 1 1
4 841 1 1 9 GLY H H 8.164 -5.143 1.983 1.00 . A A . 9 GLY H 1 1
4 842 1 1 9 GLY HA2 H 6.686 -6.852 3.894 1.00 . A A . 9 GLY HA2 1 1
4 843 1 1 9 GLY HA3 H 7.876 -5.650 4.371 1.00 . A A . 9 GLY HA3 1 1
4 844 1 1 9 GLY N N 7.674 -5.922 2.331 1.00 . A A . 9 GLY N 1 1
4 845 1 1 9 GLY O O 6.258 -3.690 4.142 1.00 . A A . 9 GLY O 1 1
4 846 1 1 10 GLY C C 3.145 -3.863 2.284 1.00 . A A . 10 GLY C 1 1
4 847 1 1 10 GLY CA C 3.638 -4.344 3.629 1.00 . A A . 10 GLY CA 1 1
4 848 1 1 10 GLY H H 4.615 -6.179 3.224 1.00 . A A . 10 GLY H 1 1
4 849 1 1 10 GLY HA2 H 2.831 -4.854 4.135 1.00 . A A . 10 GLY HA2 1 1
4 850 1 1 10 GLY HA3 H 3.938 -3.491 4.217 1.00 . A A . 10 GLY HA3 1 1
4 851 1 1 10 GLY N N 4.763 -5.251 3.509 1.00 . A A . 10 GLY N 1 1
4 852 1 1 10 GLY O O 3.894 -3.869 1.306 1.00 . A A . 10 GLY O 1 1
4 853 1 1 11 VAL C C 0.955 -1.417 1.211 1.00 . A A . 11 VAL C 1 1
4 854 1 1 11 VAL CA C 1.346 -2.876 1.003 1.00 . A A . 11 VAL CA 1 1
4 855 1 1 11 VAL CB C 0.118 -3.678 0.506 1.00 . A A . 11 VAL CB 1 1
4 856 1 1 11 VAL CG1 C -0.218 -3.305 -0.935 1.00 . A A . 11 VAL CG1 1 1
4 857 1 1 11 VAL CG2 C 0.364 -5.174 0.622 1.00 . A A . 11 VAL CG2 1 1
4 858 1 1 11 VAL H H 1.360 -3.387 3.053 1.00 . A A . 11 VAL H 1 1
4 859 1 1 11 VAL HA H 2.115 -2.927 0.245 1.00 . A A . 11 VAL HA 1 1
4 860 1 1 11 VAL HB H -0.731 -3.423 1.127 1.00 . A A . 11 VAL HB 1 1
4 861 1 1 11 VAL HG11 H -0.985 -2.542 -0.940 1.00 . A A . 11 VAL HG11 1 1
4 862 1 1 11 VAL HG12 H -0.575 -4.176 -1.462 1.00 . A A . 11 VAL HG12 1 1
4 863 1 1 11 VAL HG13 H 0.670 -2.923 -1.425 1.00 . A A . 11 VAL HG13 1 1
4 864 1 1 11 VAL HG21 H 0.950 -5.373 1.505 1.00 . A A . 11 VAL HG21 1 1
4 865 1 1 11 VAL HG22 H 0.898 -5.518 -0.251 1.00 . A A . 11 VAL HG22 1 1
4 866 1 1 11 VAL HG23 H -0.581 -5.691 0.691 1.00 . A A . 11 VAL HG23 1 1
4 867 1 1 11 VAL N N 1.900 -3.414 2.233 1.00 . A A . 11 VAL N 1 1
4 868 1 1 11 VAL O O 0.833 -0.953 2.346 1.00 . A A . 11 VAL O 1 1
4 869 1 1 12 CYS C C -0.990 0.906 0.601 1.00 . A A . 12 CYS C 1 1
4 870 1 1 12 CYS CA C 0.444 0.702 0.106 1.00 . A A . 12 CYS CA 1 1
4 871 1 1 12 CYS CB C 0.597 1.165 -1.317 1.00 . A A . 12 CYS CB 1 1
4 872 1 1 12 CYS H H 0.930 -1.143 -0.758 1.00 . A A . 12 CYS H 1 1
4 873 1 1 12 CYS HA H 1.125 1.236 0.726 1.00 . A A . 12 CYS HA 1 1
4 874 1 1 12 CYS HB2 H 1.532 0.786 -1.700 1.00 . A A . 12 CYS HB2 1 1
4 875 1 1 12 CYS HB3 H -0.196 0.723 -1.876 1.00 . A A . 12 CYS HB3 1 1
4 876 1 1 12 CYS N N 0.802 -0.702 0.109 1.00 . A A . 12 CYS N 1 1
4 877 1 1 12 CYS O O -1.940 0.940 -0.189 1.00 . A A . 12 CYS O 1 1
4 878 1 1 12 CYS SG S 0.574 2.940 -1.590 1.00 . A A . 12 CYS SG 1 1
4 879 1 1 13 ABA C C -2.926 -0.700 2.513 1.00 . A A . 13 ABA C 1 1
4 880 1 1 13 ABA CA C -2.494 0.752 2.460 1.00 . A A . 13 ABA CA 1 1
4 881 1 1 13 ABA CB C -2.595 1.394 3.859 1.00 . A A . 13 ABA CB 1 1
4 882 1 1 13 ABA CG C -1.754 2.661 3.936 1.00 . A A . 13 ABA CG 1 1
4 883 1 1 13 ABA H H -0.404 0.567 2.468 1.00 . A A . 13 ABA H 1 1
4 884 1 1 13 ABA HA H -3.154 1.286 1.791 1.00 . A A . 13 ABA HA 1 1
4 885 1 1 13 ABA HB3 H -2.213 0.691 4.583 1.00 . A A . 13 ABA HB3 1 1
4 886 1 1 13 ABA HG1 H -0.831 2.451 4.460 1.00 . A A . 13 ABA HG1 1 1
4 887 1 1 13 ABA HG2 H -2.299 3.425 4.467 1.00 . A A . 13 ABA HG2 1 1
4 888 1 1 13 ABA HG3 H -1.529 3.008 2.938 1.00 . A A . 13 ABA HG3 1 1
4 889 1 1 13 ABA N N -1.167 0.807 1.903 1.00 . A A . 13 ABA N 1 1
4 890 1 1 13 ABA O O -2.594 -1.443 3.434 1.00 . A A . 13 ABA O 1 1
4 891 1 1 14 LEU C C -3.767 -2.806 -0.338 1.00 . A A . 14 LEU C 1 1
4 892 1 1 14 LEU CA C -3.837 -2.510 1.160 1.00 . A A . 14 LEU CA 1 1
4 893 1 1 14 LEU CB C -5.252 -2.769 1.691 1.00 . A A . 14 LEU CB 1 1
4 894 1 1 14 LEU CD1 C -4.938 -5.158 2.387 1.00 . A A . 14 LEU CD1 1 1
4 895 1 1 14 LEU CD2 C -7.233 -4.280 1.943 1.00 . A A . 14 LEU CD2 1 1
4 896 1 1 14 LEU CG C -5.768 -4.203 1.549 1.00 . A A . 14 LEU CG 1 1
4 897 1 1 14 LEU H H -3.509 -0.499 0.649 1.00 . A A . 14 LEU H 1 1
4 898 1 1 14 LEU HA H -3.134 -3.142 1.683 1.00 . A A . 14 LEU HA 1 1
4 899 1 1 14 LEU HB2 H -5.274 -2.505 2.739 1.00 . A A . 14 LEU HB2 1 1
4 900 1 1 14 LEU HB3 H -5.928 -2.115 1.163 1.00 . A A . 14 LEU HB3 1 1
4 901 1 1 14 LEU HD11 H -5.575 -5.655 3.106 1.00 . A A . 14 LEU HD11 1 1
4 902 1 1 14 LEU HD12 H -4.169 -4.604 2.908 1.00 . A A . 14 LEU HD12 1 1
4 903 1 1 14 LEU HD13 H -4.477 -5.892 1.743 1.00 . A A . 14 LEU HD13 1 1
4 904 1 1 14 LEU HD21 H -7.426 -5.225 2.429 1.00 . A A . 14 LEU HD21 1 1
4 905 1 1 14 LEU HD22 H -7.846 -4.197 1.058 1.00 . A A . 14 LEU HD22 1 1
4 906 1 1 14 LEU HD23 H -7.466 -3.471 2.620 1.00 . A A . 14 LEU HD23 1 1
4 907 1 1 14 LEU HG H -5.684 -4.509 0.516 1.00 . A A . 14 LEU HG 1 1
4 908 1 1 14 LEU N N -3.471 -1.123 1.392 1.00 . A A . 14 LEU N 1 1
4 909 1 1 14 LEU O O -3.842 -3.954 -0.770 1.00 . A A . 14 LEU O 1 1
4 910 1 1 15 ABA C C -4.914 -1.053 -3.114 1.00 . A A . 15 ABA C 1 1
4 911 1 1 15 ABA CA C -3.729 -1.843 -2.576 1.00 . A A . 15 ABA CA 1 1
4 912 1 1 15 ABA CB C -2.425 -1.310 -3.208 1.00 . A A . 15 ABA CB 1 1
4 913 1 1 15 ABA CG C -2.226 -1.894 -4.598 1.00 . A A . 15 ABA CG 1 1
4 914 1 1 15 ABA H H -3.675 -0.857 -0.721 1.00 . A A . 15 ABA H 1 1
4 915 1 1 15 ABA HA H -3.844 -2.885 -2.839 1.00 . A A . 15 ABA HA 1 1
4 916 1 1 15 ABA HB3 H -2.501 -0.237 -3.298 1.00 . A A . 15 ABA HB3 1 1
4 917 1 1 15 ABA HG1 H -2.089 -2.962 -4.525 1.00 . A A . 15 ABA HG1 1 1
4 918 1 1 15 ABA HG2 H -1.352 -1.449 -5.055 1.00 . A A . 15 ABA HG2 1 1
4 919 1 1 15 ABA HG3 H -3.094 -1.684 -5.206 1.00 . A A . 15 ABA HG3 1 1
4 920 1 1 15 ABA N N -3.695 -1.738 -1.125 1.00 . A A . 15 ABA N 1 1
4 921 1 1 15 ABA O O -5.621 -1.508 -4.008 1.00 . A A . 15 ABA O 1 1
4 922 1 1 16 DHA C C -7.150 1.328 -1.952 1.00 . A A . 16 DHA C 1 1
4 923 1 1 16 DHA CA C -6.187 0.912 -2.900 1.00 . A A . 16 DHA CA 1 1
4 924 1 1 16 DHA CB C -6.287 1.324 -4.174 1.00 . A A . 16 DHA CB 1 1
4 925 1 1 16 DHA H H -4.510 0.370 -1.813 1.00 . A A . 16 DHA H 1 1
4 926 1 1 16 DHA HB1 H -5.550 1.017 -4.900 1.00 . A A . 16 DHA HB1 1 1
4 927 1 1 16 DHA HB2 H -7.088 1.982 -4.467 1.00 . A A . 16 DHA HB2 1 1
4 928 1 1 16 DHA N N -5.136 0.119 -2.518 1.00 . A A . 16 DHA N 1 1
4 929 1 1 16 DHA O O -7.923 2.251 -2.196 1.00 . A A . 16 DHA O 1 1
4 930 1 1 17 GLU C C -7.415 2.218 1.101 1.00 . A A . 17 GLU C 1 1
4 931 1 1 17 GLU CA C -8.033 1.085 0.290 1.00 . A A . 17 GLU CA 1 1
4 932 1 1 17 GLU CB C -8.339 -0.105 1.194 1.00 . A A . 17 GLU CB 1 1
4 933 1 1 17 GLU CD C -10.794 0.396 1.176 1.00 . A A . 17 GLU CD 1 1
4 934 1 1 17 GLU CG C -9.583 0.104 2.033 1.00 . A A . 17 GLU CG 1 1
4 935 1 1 17 GLU H H -6.504 -0.042 -0.644 1.00 . A A . 17 GLU H 1 1
4 936 1 1 17 GLU HA H -8.950 1.436 -0.160 1.00 . A A . 17 GLU HA 1 1
4 937 1 1 17 GLU HB2 H -8.479 -0.984 0.581 1.00 . A A . 17 GLU HB2 1 1
4 938 1 1 17 GLU HB3 H -7.501 -0.268 1.857 1.00 . A A . 17 GLU HB3 1 1
4 939 1 1 17 GLU HG2 H -9.773 -0.791 2.607 1.00 . A A . 17 GLU HG2 1 1
4 940 1 1 17 GLU HG3 H -9.421 0.938 2.701 1.00 . A A . 17 GLU HG3 1 1
4 941 1 1 17 GLU N N -7.124 0.705 -0.780 1.00 . A A . 17 GLU N 1 1
4 942 1 1 17 GLU O O -8.117 3.040 1.692 1.00 . A A . 17 GLU O 1 1
4 943 1 1 17 GLU OE1 O -11.280 -0.522 0.484 1.00 . A A . 17 GLU OE1 1 1
4 944 1 1 17 GLU OE2 O -11.298 1.536 1.225 1.00 . A A . 17 GLU OE2 1 1
4 945 1 1 18 CYS C C -5.056 4.445 0.351 1.00 . A A . 18 CYS C 1 1
4 946 1 1 18 CYS CA C -5.396 3.505 1.489 1.00 . A A . 18 CYS CA 1 1
4 947 1 1 18 CYS CB C -4.101 3.072 2.165 1.00 . A A . 18 CYS CB 1 1
4 948 1 1 18 CYS H H -5.643 1.757 0.343 1.00 . A A . 18 CYS H 1 1
4 949 1 1 18 CYS HA H -6.033 4.010 2.200 1.00 . A A . 18 CYS HA 1 1
4 950 1 1 18 CYS HB2 H -3.417 2.741 1.397 1.00 . A A . 18 CYS HB2 1 1
4 951 1 1 18 CYS HB3 H -3.670 3.927 2.662 1.00 . A A . 18 CYS HB3 1 1
4 952 1 1 18 CYS N N -6.110 2.361 0.949 1.00 . A A . 18 CYS N 1 1
4 953 1 1 18 CYS O O -5.783 5.395 0.070 1.00 . A A . 18 CYS O 1 1
4 954 1 1 18 CYS SG S -4.307 1.751 3.383 1.00 . A A . 18 CYS SG 1 1
4 955 1 1 19 ILE C C -3.771 4.216 -2.771 1.00 . A A . 19 ILE C 1 1
4 956 1 1 19 ILE CA C -3.537 4.951 -1.449 1.00 . A A . 19 ILE CA 1 1
4 957 1 1 19 ILE CB C -2.058 5.376 -1.328 1.00 . A A . 19 ILE CB 1 1
4 958 1 1 19 ILE CD1 C -0.355 6.389 0.280 1.00 . A A . 19 ILE CD1 1 1
4 959 1 1 19 ILE CG1 C -1.802 6.015 0.043 1.00 . A A . 19 ILE CG1 1 1
4 960 1 1 19 ILE CG2 C -1.696 6.347 -2.446 1.00 . A A . 19 ILE CG2 1 1
4 961 1 1 19 ILE H H -3.420 3.378 -0.053 1.00 . A A . 19 ILE H 1 1
4 962 1 1 19 ILE HA H -4.141 5.837 -1.431 1.00 . A A . 19 ILE HA 1 1
4 963 1 1 19 ILE HB H -1.441 4.495 -1.430 1.00 . A A . 19 ILE HB 1 1
4 964 1 1 19 ILE HD11 H -0.234 6.728 1.298 1.00 . A A . 19 ILE HD11 1 1
4 965 1 1 19 ILE HD12 H -0.072 7.180 -0.400 1.00 . A A . 19 ILE HD12 1 1
4 966 1 1 19 ILE HD13 H 0.273 5.528 0.109 1.00 . A A . 19 ILE HD13 1 1
4 967 1 1 19 ILE HG12 H -2.393 6.915 0.130 1.00 . A A . 19 ILE HG12 1 1
4 968 1 1 19 ILE HG13 H -2.096 5.320 0.815 1.00 . A A . 19 ILE HG13 1 1
4 969 1 1 19 ILE HG21 H -1.849 5.867 -3.402 1.00 . A A . 19 ILE HG21 1 1
4 970 1 1 19 ILE HG22 H -0.659 6.634 -2.350 1.00 . A A . 19 ILE HG22 1 1
4 971 1 1 19 ILE HG23 H -2.322 7.224 -2.379 1.00 . A A . 19 ILE HG23 1 1
4 972 1 1 19 ILE N N -3.960 4.144 -0.329 1.00 . A A . 19 ILE N 1 1
4 973 1 1 19 ILE O O -4.792 4.422 -3.427 1.00 . A A . 19 ILE O 1 1
4 974 1 1 20 TEE CA C -2.984 2.678 -4.345 1.00 . A A . 20 TEE CA 1 1
4 975 1 1 20 TEE CB C -2.955 1.270 -4.376 1.00 . A A . 20 TEE CB 1 1
4 976 1 1 20 TEE HA H -4.057 2.508 -4.358 1.00 . A A . 20 TEE HA 1 1
4 977 1 1 20 TEE HB2 H -3.612 0.732 -5.042 1.00 . A A . 20 TEE HB2 1 1
4 978 1 1 20 TEE HN1 H -2.058 3.243 -2.563 1.00 . A A . 20 TEE HN1 1 1
4 979 1 1 20 TEE N N -2.834 3.349 -3.153 1.00 . A A . 20 TEE N 1 1
4 980 1 1 20 TEE SG S -1.902 0.421 -3.185 1.00 . A A . 20 TEE SG 1 1
5 981 1 1 1 CYS C C 9.806 5.359 0.093 1.00 . A A . 1 CYS C 1 1
5 982 1 1 1 CYS CA C 10.560 6.353 -0.807 1.00 . A A . 1 CYS CA 1 1
5 983 1 1 1 CYS CB C 10.635 5.883 -2.259 1.00 . A A . 1 CYS CB 1 1
5 984 1 1 1 CYS H1 H 12.217 7.508 -0.321 1.00 . A A . 1 CYS H1 1 1
5 985 1 1 1 CYS H2 H 12.607 5.979 -0.940 1.00 . A A . 1 CYS H2 1 1
5 986 1 1 1 CYS H3 H 12.032 6.130 0.648 1.00 . A A . 1 CYS H3 1 1
5 987 1 1 1 CYS HA H 10.070 7.315 -0.763 1.00 . A A . 1 CYS HA 1 1
5 988 1 1 1 CYS HB2 H 11.545 6.261 -2.702 1.00 . A A . 1 CYS HB2 1 1
5 989 1 1 1 CYS HB3 H 10.660 4.804 -2.273 1.00 . A A . 1 CYS HB3 1 1
5 990 1 1 1 CYS N N 11.949 6.503 -0.323 1.00 . A A . 1 CYS N 1 1
5 991 1 1 1 CYS O O 10.149 5.238 1.269 1.00 . A A . 1 CYS O 1 1
5 992 1 1 1 CYS SG S 9.250 6.429 -3.274 1.00 . A A . 1 CYS SG 1 1
5 993 1 1 2 ABA C C 7.222 3.686 -2.030 1.00 . A A . 2 ABA C 1 1
5 994 1 1 2 ABA CA C 8.360 4.678 -1.803 1.00 . A A . 2 ABA CA 1 1
5 995 1 1 2 ABA CB C 7.869 6.095 -2.163 1.00 . A A . 2 ABA CB 1 1
5 996 1 1 2 ABA CG C 7.654 6.226 -3.667 1.00 . A A . 2 ABA CG 1 1
5 997 1 1 2 ABA H H 8.368 3.971 0.179 1.00 . A A . 2 ABA H 1 1
5 998 1 1 2 ABA HA H 9.185 4.423 -2.452 1.00 . A A . 2 ABA HA 1 1
5 999 1 1 2 ABA HB3 H 6.918 6.255 -1.673 1.00 . A A . 2 ABA HB3 1 1
5 1000 1 1 2 ABA HG1 H 6.605 6.107 -3.892 1.00 . A A . 2 ABA HG1 1 1
5 1001 1 1 2 ABA HG2 H 8.221 5.463 -4.181 1.00 . A A . 2 ABA HG2 1 1
5 1002 1 1 2 ABA HG3 H 7.982 7.202 -3.995 1.00 . A A . 2 ABA HG3 1 1
5 1003 1 1 2 ABA N N 8.822 4.603 -0.422 1.00 . A A . 2 ABA N 1 1
5 1004 1 1 2 ABA O O 7.223 2.946 -3.014 1.00 . A A . 2 ABA O 1 1
5 1005 1 1 3 PHE C C 4.217 3.034 -2.286 1.00 . A A . 3 PHE C 1 1
5 1006 1 1 3 PHE CA C 5.177 2.692 -1.143 1.00 . A A . 3 PHE CA 1 1
5 1007 1 1 3 PHE CB C 4.418 2.636 0.196 1.00 . A A . 3 PHE CB 1 1
5 1008 1 1 3 PHE CD1 C 3.681 5.049 -0.012 1.00 . A A . 3 PHE CD1 1 1
5 1009 1 1 3 PHE CD2 C 4.006 4.136 2.166 1.00 . A A . 3 PHE CD2 1 1
5 1010 1 1 3 PHE CE1 C 3.322 6.259 0.545 1.00 . A A . 3 PHE CE1 1 1
5 1011 1 1 3 PHE CE2 C 3.644 5.345 2.727 1.00 . A A . 3 PHE CE2 1 1
5 1012 1 1 3 PHE CG C 4.029 3.970 0.790 1.00 . A A . 3 PHE CG 1 1
5 1013 1 1 3 PHE CZ C 3.303 6.406 1.915 1.00 . A A . 3 PHE CZ 1 1
5 1014 1 1 3 PHE H H 6.393 4.202 -0.283 1.00 . A A . 3 PHE H 1 1
5 1015 1 1 3 PHE HA H 5.590 1.712 -1.338 1.00 . A A . 3 PHE HA 1 1
5 1016 1 1 3 PHE HB2 H 3.509 2.070 0.055 1.00 . A A . 3 PHE HB2 1 1
5 1017 1 1 3 PHE HB3 H 5.034 2.123 0.921 1.00 . A A . 3 PHE HB3 1 1
5 1018 1 1 3 PHE HD1 H 3.697 4.936 -1.085 1.00 . A A . 3 PHE HD1 1 1
5 1019 1 1 3 PHE HD2 H 4.275 3.305 2.805 1.00 . A A . 3 PHE HD2 1 1
5 1020 1 1 3 PHE HE1 H 3.056 7.089 -0.092 1.00 . A A . 3 PHE HE1 1 1
5 1021 1 1 3 PHE HE2 H 3.629 5.459 3.801 1.00 . A A . 3 PHE HE2 1 1
5 1022 1 1 3 PHE HZ H 3.020 7.352 2.351 1.00 . A A . 3 PHE HZ 1 1
5 1023 1 1 3 PHE N N 6.301 3.624 -1.073 1.00 . A A . 3 PHE N 1 1
5 1024 1 1 3 PHE O O 4.273 4.125 -2.861 1.00 . A A . 3 PHE O 1 1
5 1025 1 1 4 ABA C C 1.955 0.935 -4.245 1.00 . A A . 4 ABA C 1 1
5 1026 1 1 4 ABA CA C 2.322 2.282 -3.622 1.00 . A A . 4 ABA CA 1 1
5 1027 1 1 4 ABA CB C 1.048 2.956 -3.057 1.00 . A A . 4 ABA CB 1 1
5 1028 1 1 4 ABA CG C 1.008 4.427 -3.434 1.00 . A A . 4 ABA CG 1 1
5 1029 1 1 4 ABA H H 3.332 1.257 -2.079 1.00 . A A . 4 ABA H 1 1
5 1030 1 1 4 ABA HA H 2.736 2.918 -4.385 1.00 . A A . 4 ABA HA 1 1
5 1031 1 1 4 ABA HB3 H 1.078 2.886 -1.980 1.00 . A A . 4 ABA HB3 1 1
5 1032 1 1 4 ABA HG1 H 1.051 4.525 -4.508 1.00 . A A . 4 ABA HG1 1 1
5 1033 1 1 4 ABA HG2 H 1.851 4.936 -2.988 1.00 . A A . 4 ABA HG2 1 1
5 1034 1 1 4 ABA HG3 H 0.091 4.868 -3.069 1.00 . A A . 4 ABA HG3 1 1
5 1035 1 1 4 ABA N N 3.328 2.100 -2.588 1.00 . A A . 4 ABA N 1 1
5 1036 1 1 4 ABA O O 0.783 0.565 -4.312 1.00 . A A . 4 ABA O 1 1
5 1037 1 1 5 LEU C C 3.973 -2.067 -4.831 1.00 . A A . 5 LEU C 1 1
5 1038 1 1 5 LEU CA C 2.766 -1.179 -5.147 1.00 . A A . 5 LEU CA 1 1
5 1039 1 1 5 LEU CB C 2.473 -1.160 -6.661 1.00 . A A . 5 LEU CB 1 1
5 1040 1 1 5 LEU CD1 C 3.360 -1.033 -9.000 1.00 . A A . 5 LEU CD1 1 1
5 1041 1 1 5 LEU CD2 C 3.519 0.966 -7.532 1.00 . A A . 5 LEU CD2 1 1
5 1042 1 1 5 LEU CG C 3.554 -0.556 -7.572 1.00 . A A . 5 LEU CG 1 1
5 1043 1 1 5 LEU H H 3.895 0.490 -4.491 1.00 . A A . 5 LEU H 1 1
5 1044 1 1 5 LEU HA H 1.905 -1.591 -4.638 1.00 . A A . 5 LEU HA 1 1
5 1045 1 1 5 LEU HB2 H 2.303 -2.178 -6.978 1.00 . A A . 5 LEU HB2 1 1
5 1046 1 1 5 LEU HB3 H 1.561 -0.604 -6.815 1.00 . A A . 5 LEU HB3 1 1
5 1047 1 1 5 LEU HD11 H 2.304 -1.106 -9.212 1.00 . A A . 5 LEU HD11 1 1
5 1048 1 1 5 LEU HD12 H 3.820 -2.001 -9.122 1.00 . A A . 5 LEU HD12 1 1
5 1049 1 1 5 LEU HD13 H 3.816 -0.329 -9.680 1.00 . A A . 5 LEU HD13 1 1
5 1050 1 1 5 LEU HD21 H 4.260 1.361 -8.212 1.00 . A A . 5 LEU HD21 1 1
5 1051 1 1 5 LEU HD22 H 3.732 1.304 -6.531 1.00 . A A . 5 LEU HD22 1 1
5 1052 1 1 5 LEU HD23 H 2.539 1.310 -7.828 1.00 . A A . 5 LEU HD23 1 1
5 1053 1 1 5 LEU HG H 4.528 -0.881 -7.235 1.00 . A A . 5 LEU HG 1 1
5 1054 1 1 5 LEU N N 2.973 0.165 -4.620 1.00 . A A . 5 LEU N 1 1
5 1055 1 1 5 LEU O O 5.013 -1.983 -5.485 1.00 . A A . 5 LEU O 1 1
5 1056 1 1 6 PRO C C 4.861 -5.114 -3.586 1.00 . A A . 6 PRO C 1 1
5 1057 1 1 6 PRO CA C 5.005 -3.635 -3.238 1.00 . A A . 6 PRO CA 1 1
5 1058 1 1 6 PRO CB C 4.871 -3.436 -1.735 1.00 . A A . 6 PRO CB 1 1
5 1059 1 1 6 PRO CD C 2.766 -2.871 -2.789 1.00 . A A . 6 PRO CD 1 1
5 1060 1 1 6 PRO CG C 3.394 -3.369 -1.502 1.00 . A A . 6 PRO CG 1 1
5 1061 1 1 6 PRO HA H 5.961 -3.265 -3.575 1.00 . A A . 6 PRO HA 1 1
5 1062 1 1 6 PRO HB2 H 5.317 -4.274 -1.218 1.00 . A A . 6 PRO HB2 1 1
5 1063 1 1 6 PRO HB3 H 5.359 -2.520 -1.441 1.00 . A A . 6 PRO HB3 1 1
5 1064 1 1 6 PRO HD2 H 2.009 -3.561 -3.131 1.00 . A A . 6 PRO HD2 1 1
5 1065 1 1 6 PRO HD3 H 2.343 -1.887 -2.647 1.00 . A A . 6 PRO HD3 1 1
5 1066 1 1 6 PRO HG2 H 3.018 -4.352 -1.260 1.00 . A A . 6 PRO HG2 1 1
5 1067 1 1 6 PRO HG3 H 3.184 -2.681 -0.696 1.00 . A A . 6 PRO HG3 1 1
5 1068 1 1 6 PRO N N 3.898 -2.826 -3.727 1.00 . A A . 6 PRO N 1 1
5 1069 1 1 6 PRO O O 3.999 -5.496 -4.383 1.00 . A A . 6 PRO O 1 1
5 1070 1 1 7 GLY C C 5.288 -8.117 -1.833 1.00 . A A . 7 GLY C 1 1
5 1071 1 1 7 GLY CA C 5.574 -7.381 -3.125 1.00 . A A . 7 GLY CA 1 1
5 1072 1 1 7 GLY H H 6.298 -5.581 -2.272 1.00 . A A . 7 GLY H 1 1
5 1073 1 1 7 GLY HA2 H 4.785 -7.592 -3.830 1.00 . A A . 7 GLY HA2 1 1
5 1074 1 1 7 GLY HA3 H 6.509 -7.736 -3.530 1.00 . A A . 7 GLY HA3 1 1
5 1075 1 1 7 GLY N N 5.660 -5.947 -2.927 1.00 . A A . 7 GLY N 1 1
5 1076 1 1 7 GLY O O 4.662 -9.180 -1.834 1.00 . A A . 7 GLY O 1 1
5 1077 1 1 8 GLY C C 6.216 -7.386 1.678 1.00 . A A . 8 GLY C 1 1
5 1078 1 1 8 GLY CA C 5.547 -8.170 0.569 1.00 . A A . 8 GLY CA 1 1
5 1079 1 1 8 GLY H H 6.263 -6.718 -0.790 1.00 . A A . 8 GLY H 1 1
5 1080 1 1 8 GLY HA2 H 4.486 -8.223 0.767 1.00 . A A . 8 GLY HA2 1 1
5 1081 1 1 8 GLY HA3 H 5.952 -9.170 0.553 1.00 . A A . 8 GLY HA3 1 1
5 1082 1 1 8 GLY N N 5.756 -7.556 -0.726 1.00 . A A . 8 GLY N 1 1
5 1083 1 1 8 GLY O O 7.060 -6.527 1.411 1.00 . A A . 8 GLY O 1 1
5 1084 1 1 9 GLY C C 5.812 -5.582 4.227 1.00 . A A . 9 GLY C 1 1
5 1085 1 1 9 GLY CA C 6.412 -6.959 4.044 1.00 . A A . 9 GLY CA 1 1
5 1086 1 1 9 GLY H H 5.156 -8.358 3.067 1.00 . A A . 9 GLY H 1 1
5 1087 1 1 9 GLY HA2 H 6.243 -7.534 4.943 1.00 . A A . 9 GLY HA2 1 1
5 1088 1 1 9 GLY HA3 H 7.475 -6.858 3.889 1.00 . A A . 9 GLY HA3 1 1
5 1089 1 1 9 GLY N N 5.837 -7.667 2.915 1.00 . A A . 9 GLY N 1 1
5 1090 1 1 9 GLY O O 6.522 -4.614 4.499 1.00 . A A . 9 GLY O 1 1
5 1091 1 1 10 GLY C C 3.344 -3.717 2.802 1.00 . A A . 10 GLY C 1 1
5 1092 1 1 10 GLY CA C 3.830 -4.216 4.138 1.00 . A A . 10 GLY CA 1 1
5 1093 1 1 10 GLY H H 4.002 -6.286 3.752 1.00 . A A . 10 GLY H 1 1
5 1094 1 1 10 GLY HA2 H 2.984 -4.329 4.800 1.00 . A A . 10 GLY HA2 1 1
5 1095 1 1 10 GLY HA3 H 4.512 -3.492 4.558 1.00 . A A . 10 GLY HA3 1 1
5 1096 1 1 10 GLY N N 4.508 -5.486 4.019 1.00 . A A . 10 GLY N 1 1
5 1097 1 1 10 GLY O O 4.074 -3.777 1.812 1.00 . A A . 10 GLY O 1 1
5 1098 1 1 11 VAL C C 1.100 -1.296 1.679 1.00 . A A . 11 VAL C 1 1
5 1099 1 1 11 VAL CA C 1.540 -2.745 1.518 1.00 . A A . 11 VAL CA 1 1
5 1100 1 1 11 VAL CB C 0.336 -3.595 1.038 1.00 . A A . 11 VAL CB 1 1
5 1101 1 1 11 VAL CG1 C -0.032 -3.252 -0.400 1.00 . A A . 11 VAL CG1 1 1
5 1102 1 1 11 VAL CG2 C 0.630 -5.080 1.164 1.00 . A A . 11 VAL CG2 1 1
5 1103 1 1 11 VAL H H 1.568 -3.231 3.579 1.00 . A A . 11 VAL H 1 1
5 1104 1 1 11 VAL HA H 2.311 -2.791 0.761 1.00 . A A . 11 VAL HA 1 1
5 1105 1 1 11 VAL HB H -0.514 -3.364 1.665 1.00 . A A . 11 VAL HB 1 1
5 1106 1 1 11 VAL HG11 H -0.196 -4.161 -0.958 1.00 . A A . 11 VAL HG11 1 1
5 1107 1 1 11 VAL HG12 H 0.775 -2.691 -0.854 1.00 . A A . 11 VAL HG12 1 1
5 1108 1 1 11 VAL HG13 H -0.933 -2.655 -0.410 1.00 . A A . 11 VAL HG13 1 1
5 1109 1 1 11 VAL HG21 H 0.768 -5.505 0.181 1.00 . A A . 11 VAL HG21 1 1
5 1110 1 1 11 VAL HG22 H -0.198 -5.571 1.654 1.00 . A A . 11 VAL HG22 1 1
5 1111 1 1 11 VAL HG23 H 1.528 -5.222 1.747 1.00 . A A . 11 VAL HG23 1 1
5 1112 1 1 11 VAL N N 2.110 -3.244 2.759 1.00 . A A . 11 VAL N 1 1
5 1113 1 1 11 VAL O O 0.828 -0.839 2.790 1.00 . A A . 11 VAL O 1 1
5 1114 1 1 12 CYS C C -0.865 0.928 0.874 1.00 . A A . 12 CYS C 1 1
5 1115 1 1 12 CYS CA C 0.609 0.791 0.485 1.00 . A A . 12 CYS CA 1 1
5 1116 1 1 12 CYS CB C 0.834 1.222 -0.944 1.00 . A A . 12 CYS CB 1 1
5 1117 1 1 12 CYS H H 1.267 -1.038 -0.283 1.00 . A A . 12 CYS H 1 1
5 1118 1 1 12 CYS HA H 1.216 1.381 1.132 1.00 . A A . 12 CYS HA 1 1
5 1119 1 1 12 CYS HB2 H 1.833 0.937 -1.228 1.00 . A A . 12 CYS HB2 1 1
5 1120 1 1 12 CYS HB3 H 0.144 0.681 -1.552 1.00 . A A . 12 CYS HB3 1 1
5 1121 1 1 12 CYS N N 1.035 -0.593 0.556 1.00 . A A . 12 CYS N 1 1
5 1122 1 1 12 CYS O O -1.752 0.935 0.016 1.00 . A A . 12 CYS O 1 1
5 1123 1 1 12 CYS SG S 0.649 2.975 -1.292 1.00 . A A . 12 CYS SG 1 1
5 1124 1 1 13 ABA C C -2.905 -0.758 2.596 1.00 . A A . 13 ABA C 1 1
5 1125 1 1 13 ABA CA C -2.507 0.705 2.604 1.00 . A A . 13 ABA CA 1 1
5 1126 1 1 13 ABA CB C -2.741 1.327 3.997 1.00 . A A . 13 ABA CB 1 1
5 1127 1 1 13 ABA CG C -1.921 2.598 4.177 1.00 . A A . 13 ABA CG 1 1
5 1128 1 1 13 ABA H H -0.417 0.615 2.784 1.00 . A A . 13 ABA H 1 1
5 1129 1 1 13 ABA HA H -3.124 1.227 1.890 1.00 . A A . 13 ABA HA 1 1
5 1130 1 1 13 ABA HB3 H -2.420 0.614 4.743 1.00 . A A . 13 ABA HB3 1 1
5 1131 1 1 13 ABA HG1 H -2.453 3.284 4.820 1.00 . A A . 13 ABA HG1 1 1
5 1132 1 1 13 ABA HG2 H -1.757 3.062 3.215 1.00 . A A . 13 ABA HG2 1 1
5 1133 1 1 13 ABA HG3 H -0.968 2.351 4.624 1.00 . A A . 13 ABA HG3 1 1
5 1134 1 1 13 ABA N N -1.142 0.811 2.157 1.00 . A A . 13 ABA N 1 1
5 1135 1 1 13 ABA O O -2.620 -1.514 3.522 1.00 . A A . 13 ABA O 1 1
5 1136 1 1 14 LEU C C -3.433 -2.758 -0.391 1.00 . A A . 14 LEU C 1 1
5 1137 1 1 14 LEU CA C -3.599 -2.567 1.116 1.00 . A A . 14 LEU CA 1 1
5 1138 1 1 14 LEU CB C -5.009 -2.963 1.587 1.00 . A A . 14 LEU CB 1 1
5 1139 1 1 14 LEU CD1 C -5.507 -5.166 0.441 1.00 . A A . 14 LEU CD1 1 1
5 1140 1 1 14 LEU CD2 C -4.121 -5.124 2.522 1.00 . A A . 14 LEU CD2 1 1
5 1141 1 1 14 LEU CG C -5.274 -4.469 1.775 1.00 . A A . 14 LEU CG 1 1
5 1142 1 1 14 LEU H H -3.308 -0.533 0.687 1.00 . A A . 14 LEU H 1 1
5 1143 1 1 14 LEU HA H -2.863 -3.167 1.632 1.00 . A A . 14 LEU HA 1 1
5 1144 1 1 14 LEU HB2 H -5.197 -2.470 2.530 1.00 . A A . 14 LEU HB2 1 1
5 1145 1 1 14 LEU HB3 H -5.717 -2.589 0.863 1.00 . A A . 14 LEU HB3 1 1
5 1146 1 1 14 LEU HD11 H -6.493 -4.916 0.073 1.00 . A A . 14 LEU HD11 1 1
5 1147 1 1 14 LEU HD12 H -5.433 -6.234 0.575 1.00 . A A . 14 LEU HD12 1 1
5 1148 1 1 14 LEU HD13 H -4.763 -4.839 -0.269 1.00 . A A . 14 LEU HD13 1 1
5 1149 1 1 14 LEU HD21 H -4.511 -5.819 3.251 1.00 . A A . 14 LEU HD21 1 1
5 1150 1 1 14 LEU HD22 H -3.538 -4.365 3.024 1.00 . A A . 14 LEU HD22 1 1
5 1151 1 1 14 LEU HD23 H -3.494 -5.653 1.820 1.00 . A A . 14 LEU HD23 1 1
5 1152 1 1 14 LEU HG H -6.166 -4.594 2.373 1.00 . A A . 14 LEU HG 1 1
5 1153 1 1 14 LEU N N -3.341 -1.171 1.423 1.00 . A A . 14 LEU N 1 1
5 1154 1 1 14 LEU O O -3.090 -3.837 -0.873 1.00 . A A . 14 LEU O 1 1
5 1155 1 1 15 ABA C C -4.777 -1.062 -3.191 1.00 . A A . 15 ABA C 1 1
5 1156 1 1 15 ABA CA C -3.524 -1.674 -2.575 1.00 . A A . 15 ABA CA 1 1
5 1157 1 1 15 ABA CB C -2.270 -0.889 -3.036 1.00 . A A . 15 ABA CB 1 1
5 1158 1 1 15 ABA CG C -1.793 -1.390 -4.390 1.00 . A A . 15 ABA CG 1 1
5 1159 1 1 15 ABA H H -3.910 -0.847 -0.679 1.00 . A A . 15 ABA H 1 1
5 1160 1 1 15 ABA HA H -3.432 -2.699 -2.904 1.00 . A A . 15 ABA HA 1 1
5 1161 1 1 15 ABA HB3 H -2.529 0.155 -3.131 1.00 . A A . 15 ABA HB3 1 1
5 1162 1 1 15 ABA HG1 H -0.867 -0.901 -4.650 1.00 . A A . 15 ABA HG1 1 1
5 1163 1 1 15 ABA HG2 H -2.539 -1.169 -5.140 1.00 . A A . 15 ABA HG2 1 1
5 1164 1 1 15 ABA HG3 H -1.635 -2.459 -4.346 1.00 . A A . 15 ABA HG3 1 1
5 1165 1 1 15 ABA N N -3.641 -1.670 -1.124 1.00 . A A . 15 ABA N 1 1
5 1166 1 1 15 ABA O O -5.482 -1.708 -3.965 1.00 . A A . 15 ABA O 1 1
5 1167 1 1 16 DHA C C -7.172 1.249 -2.295 1.00 . A A . 16 DHA C 1 1
5 1168 1 1 16 DHA CA C -6.197 0.811 -3.219 1.00 . A A . 16 DHA CA 1 1
5 1169 1 1 16 DHA CB C -6.353 1.057 -4.528 1.00 . A A . 16 DHA CB 1 1
5 1170 1 1 16 DHA H H -4.449 0.569 -2.139 1.00 . A A . 16 DHA H 1 1
5 1171 1 1 16 DHA HB1 H -5.602 0.727 -5.230 1.00 . A A . 16 DHA HB1 1 1
5 1172 1 1 16 DHA HB2 H -7.205 1.614 -4.875 1.00 . A A . 16 DHA HB2 1 1
5 1173 1 1 16 DHA N N -5.074 0.165 -2.770 1.00 . A A . 16 DHA N 1 1
5 1174 1 1 16 DHA O O -7.941 2.164 -2.568 1.00 . A A . 16 DHA O 1 1
5 1175 1 1 17 GLU C C -7.445 2.198 0.745 1.00 . A A . 17 GLU C 1 1
5 1176 1 1 17 GLU CA C -8.048 1.039 -0.036 1.00 . A A . 17 GLU CA 1 1
5 1177 1 1 17 GLU CB C -8.281 -0.157 0.888 1.00 . A A . 17 GLU CB 1 1
5 1178 1 1 17 GLU CD C -9.418 -1.095 2.927 1.00 . A A . 17 GLU CD 1 1
5 1179 1 1 17 GLU CG C -9.225 0.119 2.045 1.00 . A A . 17 GLU CG 1 1
5 1180 1 1 17 GLU H H -6.513 -0.083 -0.963 1.00 . A A . 17 GLU H 1 1
5 1181 1 1 17 GLU HA H -8.985 1.348 -0.473 1.00 . A A . 17 GLU HA 1 1
5 1182 1 1 17 GLU HB2 H -8.693 -0.969 0.306 1.00 . A A . 17 GLU HB2 1 1
5 1183 1 1 17 GLU HB3 H -7.332 -0.468 1.297 1.00 . A A . 17 GLU HB3 1 1
5 1184 1 1 17 GLU HG2 H -8.818 0.921 2.643 1.00 . A A . 17 GLU HG2 1 1
5 1185 1 1 17 GLU HG3 H -10.185 0.416 1.649 1.00 . A A . 17 GLU HG3 1 1
5 1186 1 1 17 GLU N N -7.142 0.657 -1.110 1.00 . A A . 17 GLU N 1 1
5 1187 1 1 17 GLU O O -8.145 3.124 1.149 1.00 . A A . 17 GLU O 1 1
5 1188 1 1 17 GLU OE1 O -9.940 -2.118 2.432 1.00 . A A . 17 GLU OE1 1 1
5 1189 1 1 17 GLU OE2 O -9.062 -1.030 4.124 1.00 . A A . 17 GLU OE2 1 1
5 1190 1 1 18 CYS C C -5.046 4.354 0.328 1.00 . A A . 18 CYS C 1 1
5 1191 1 1 18 CYS CA C -5.409 3.336 1.398 1.00 . A A . 18 CYS CA 1 1
5 1192 1 1 18 CYS CB C -4.136 2.863 2.092 1.00 . A A . 18 CYS CB 1 1
5 1193 1 1 18 CYS H H -5.619 1.513 0.363 1.00 . A A . 18 CYS H 1 1
5 1194 1 1 18 CYS HA H -6.058 3.804 2.123 1.00 . A A . 18 CYS HA 1 1
5 1195 1 1 18 CYS HB2 H -3.560 2.281 1.389 1.00 . A A . 18 CYS HB2 1 1
5 1196 1 1 18 CYS HB3 H -3.561 3.732 2.377 1.00 . A A . 18 CYS HB3 1 1
5 1197 1 1 18 CYS N N -6.122 2.217 0.807 1.00 . A A . 18 CYS N 1 1
5 1198 1 1 18 CYS O O -5.845 5.228 -0.011 1.00 . A A . 18 CYS O 1 1
5 1199 1 1 18 CYS SG S -4.422 1.843 3.557 1.00 . A A . 18 CYS SG 1 1
5 1200 1 1 19 ILE C C -3.523 4.705 -2.580 1.00 . A A . 19 ILE C 1 1
5 1201 1 1 19 ILE CA C -3.348 5.221 -1.152 1.00 . A A . 19 ILE CA 1 1
5 1202 1 1 19 ILE CB C -1.870 5.582 -0.906 1.00 . A A . 19 ILE CB 1 1
5 1203 1 1 19 ILE CD1 C -0.237 6.323 0.907 1.00 . A A . 19 ILE CD1 1 1
5 1204 1 1 19 ILE CG1 C -1.678 6.036 0.544 1.00 . A A . 19 ILE CG1 1 1
5 1205 1 1 19 ILE CG2 C -1.422 6.672 -1.873 1.00 . A A . 19 ILE CG2 1 1
5 1206 1 1 19 ILE H H -3.213 3.572 0.157 1.00 . A A . 19 ILE H 1 1
5 1207 1 1 19 ILE HA H -3.936 6.115 -1.024 1.00 . A A . 19 ILE HA 1 1
5 1208 1 1 19 ILE HB H -1.269 4.704 -1.084 1.00 . A A . 19 ILE HB 1 1
5 1209 1 1 19 ILE HD11 H -0.203 6.927 1.802 1.00 . A A . 19 ILE HD11 1 1
5 1210 1 1 19 ILE HD12 H 0.240 6.854 0.097 1.00 . A A . 19 ILE HD12 1 1
5 1211 1 1 19 ILE HD13 H 0.283 5.392 1.081 1.00 . A A . 19 ILE HD13 1 1
5 1212 1 1 19 ILE HG12 H -2.247 6.939 0.710 1.00 . A A . 19 ILE HG12 1 1
5 1213 1 1 19 ILE HG13 H -2.038 5.263 1.206 1.00 . A A . 19 ILE HG13 1 1
5 1214 1 1 19 ILE HG21 H -2.279 7.053 -2.409 1.00 . A A . 19 ILE HG21 1 1
5 1215 1 1 19 ILE HG22 H -0.713 6.258 -2.575 1.00 . A A . 19 ILE HG22 1 1
5 1216 1 1 19 ILE HG23 H -0.956 7.476 -1.320 1.00 . A A . 19 ILE HG23 1 1
5 1217 1 1 19 ILE N N -3.826 4.256 -0.182 1.00 . A A . 19 ILE N 1 1
5 1218 1 1 19 ILE O O -4.032 5.417 -3.444 1.00 . A A . 19 ILE O 1 1
5 1219 1 1 20 TEE CA C -3.282 2.939 -4.088 1.00 . A A . 20 TEE CA 1 1
5 1220 1 1 20 TEE CB C -2.989 1.584 -4.340 1.00 . A A . 20 TEE CB 1 1
5 1221 1 1 20 TEE HA H -4.297 2.607 -4.292 1.00 . A A . 20 TEE HA 1 1
5 1222 1 1 20 TEE HB2 H -3.652 0.813 -3.980 1.00 . A A . 20 TEE HB2 1 1
5 1223 1 1 20 TEE HN1 H -2.744 2.955 -2.076 1.00 . A A . 20 TEE HN1 1 1
5 1224 1 1 20 TEE N N -3.132 3.456 -2.822 1.00 . A A . 20 TEE N 1 1
5 1225 1 1 20 TEE SG S -2.077 0.908 -2.935 1.00 . A A . 20 TEE SG 1 1
6 1226 1 1 1 CYS C C 10.720 4.550 0.390 1.00 . A A . 1 CYS C 1 1
6 1227 1 1 1 CYS CA C 11.344 5.625 -0.516 1.00 . A A . 1 CYS CA 1 1
6 1228 1 1 1 CYS CB C 10.996 5.421 -1.992 1.00 . A A . 1 CYS CB 1 1
6 1229 1 1 1 CYS H1 H 13.263 6.176 -1.108 1.00 . A A . 1 CYS H1 1 1
6 1230 1 1 1 CYS H2 H 13.136 4.572 -0.575 1.00 . A A . 1 CYS H2 1 1
6 1231 1 1 1 CYS H3 H 13.116 5.844 0.548 1.00 . A A . 1 CYS H3 1 1
6 1232 1 1 1 CYS HA H 11.017 6.602 -0.195 1.00 . A A . 1 CYS HA 1 1
6 1233 1 1 1 CYS HB2 H 11.800 5.816 -2.595 1.00 . A A . 1 CYS HB2 1 1
6 1234 1 1 1 CYS HB3 H 10.901 4.363 -2.184 1.00 . A A . 1 CYS HB3 1 1
6 1235 1 1 1 CYS N N 12.815 5.551 -0.406 1.00 . A A . 1 CYS N 1 1
6 1236 1 1 1 CYS O O 11.314 4.224 1.418 1.00 . A A . 1 CYS O 1 1
6 1237 1 1 1 CYS SG S 9.465 6.224 -2.504 1.00 . A A . 1 CYS SG 1 1
6 1238 1 1 2 ABA C C 7.622 3.348 -1.331 1.00 . A A . 2 ABA C 1 1
6 1239 1 1 2 ABA CA C 8.824 4.277 -1.177 1.00 . A A . 2 ABA CA 1 1
6 1240 1 1 2 ABA CB C 8.352 5.746 -1.168 1.00 . A A . 2 ABA CB 1 1
6 1241 1 1 2 ABA CG C 7.752 6.133 -2.514 1.00 . A A . 2 ABA CG 1 1
6 1242 1 1 2 ABA H H 9.210 3.261 0.623 1.00 . A A . 2 ABA H 1 1
6 1243 1 1 2 ABA HA H 9.477 4.136 -2.026 1.00 . A A . 2 ABA HA 1 1
6 1244 1 1 2 ABA HB3 H 7.585 5.850 -0.416 1.00 . A A . 2 ABA HB3 1 1
6 1245 1 1 2 ABA HG1 H 8.024 7.150 -2.751 1.00 . A A . 2 ABA HG1 1 1
6 1246 1 1 2 ABA HG2 H 6.676 6.050 -2.465 1.00 . A A . 2 ABA HG2 1 1
6 1247 1 1 2 ABA HG3 H 8.128 5.470 -3.280 1.00 . A A . 2 ABA HG3 1 1
6 1248 1 1 2 ABA N N 9.578 3.945 0.026 1.00 . A A . 2 ABA N 1 1
6 1249 1 1 2 ABA O O 7.657 2.407 -2.125 1.00 . A A . 2 ABA O 1 1
6 1250 1 1 3 PHE C C 4.635 2.978 -1.971 1.00 . A A . 3 PHE C 1 1
6 1251 1 1 3 PHE CA C 5.370 2.761 -0.645 1.00 . A A . 3 PHE CA 1 1
6 1252 1 1 3 PHE CB C 4.428 2.996 0.548 1.00 . A A . 3 PHE CB 1 1
6 1253 1 1 3 PHE CD1 C 4.021 5.355 -0.193 1.00 . A A . 3 PHE CD1 1 1
6 1254 1 1 3 PHE CD2 C 3.806 4.874 2.131 1.00 . A A . 3 PHE CD2 1 1
6 1255 1 1 3 PHE CE1 C 3.717 6.680 0.051 1.00 . A A . 3 PHE CE1 1 1
6 1256 1 1 3 PHE CE2 C 3.505 6.197 2.381 1.00 . A A . 3 PHE CE2 1 1
6 1257 1 1 3 PHE CG C 4.071 4.435 0.842 1.00 . A A . 3 PHE CG 1 1
6 1258 1 1 3 PHE CZ C 3.373 7.062 1.432 1.00 . A A . 3 PHE CZ 1 1
6 1259 1 1 3 PHE H H 6.596 4.337 0.083 1.00 . A A . 3 PHE H 1 1
6 1260 1 1 3 PHE HA H 5.700 1.734 -0.617 1.00 . A A . 3 PHE HA 1 1
6 1261 1 1 3 PHE HB2 H 3.505 2.468 0.366 1.00 . A A . 3 PHE HB2 1 1
6 1262 1 1 3 PHE HB3 H 4.889 2.588 1.435 1.00 . A A . 3 PHE HB3 1 1
6 1263 1 1 3 PHE HD1 H 4.224 5.027 -1.201 1.00 . A A . 3 PHE HD1 1 1
6 1264 1 1 3 PHE HD2 H 3.841 4.168 2.947 1.00 . A A . 3 PHE HD2 1 1
6 1265 1 1 3 PHE HE1 H 3.679 7.386 -0.766 1.00 . A A . 3 PHE HE1 1 1
6 1266 1 1 3 PHE HE2 H 3.301 6.525 3.390 1.00 . A A . 3 PHE HE2 1 1
6 1267 1 1 3 PHE HZ H 3.095 8.080 1.659 1.00 . A A . 3 PHE HZ 1 1
6 1268 1 1 3 PHE N N 6.568 3.590 -0.561 1.00 . A A . 3 PHE N 1 1
6 1269 1 1 3 PHE O O 5.078 3.743 -2.831 1.00 . A A . 3 PHE O 1 1
6 1270 1 1 4 ABA C C 2.626 0.981 -4.000 1.00 . A A . 4 ABA C 1 1
6 1271 1 1 4 ABA CA C 2.745 2.360 -3.357 1.00 . A A . 4 ABA CA 1 1
6 1272 1 1 4 ABA CB C 1.341 2.948 -3.080 1.00 . A A . 4 ABA CB 1 1
6 1273 1 1 4 ABA CG C 1.325 4.436 -3.382 1.00 . A A . 4 ABA CG 1 1
6 1274 1 1 4 ABA H H 3.238 1.676 -1.425 1.00 . A A . 4 ABA H 1 1
6 1275 1 1 4 ABA HA H 3.258 3.015 -4.039 1.00 . A A . 4 ABA HA 1 1
6 1276 1 1 4 ABA HB3 H 1.119 2.817 -2.029 1.00 . A A . 4 ABA HB3 1 1
6 1277 1 1 4 ABA HG1 H 1.593 4.988 -2.493 1.00 . A A . 4 ABA HG1 1 1
6 1278 1 1 4 ABA HG2 H 0.337 4.729 -3.702 1.00 . A A . 4 ABA HG2 1 1
6 1279 1 1 4 ABA HG3 H 2.035 4.651 -4.167 1.00 . A A . 4 ABA HG3 1 1
6 1280 1 1 4 ABA N N 3.529 2.279 -2.137 1.00 . A A . 4 ABA N 1 1
6 1281 1 1 4 ABA O O 1.670 0.247 -3.757 1.00 . A A . 4 ABA O 1 1
6 1282 1 1 5 LEU C C 5.031 -1.456 -4.784 1.00 . A A . 5 LEU C 1 1
6 1283 1 1 5 LEU CA C 3.747 -0.771 -5.252 1.00 . A A . 5 LEU CA 1 1
6 1284 1 1 5 LEU CB C 3.698 -0.738 -6.785 1.00 . A A . 5 LEU CB 1 1
6 1285 1 1 5 LEU CD1 C 2.525 -0.117 -8.908 1.00 . A A . 5 LEU CD1 1 1
6 1286 1 1 5 LEU CD2 C 1.188 -0.754 -6.892 1.00 . A A . 5 LEU CD2 1 1
6 1287 1 1 5 LEU CG C 2.457 -0.075 -7.390 1.00 . A A . 5 LEU CG 1 1
6 1288 1 1 5 LEU H H 4.464 1.160 -4.762 1.00 . A A . 5 LEU H 1 1
6 1289 1 1 5 LEU HA H 2.901 -1.329 -4.879 1.00 . A A . 5 LEU HA 1 1
6 1290 1 1 5 LEU HB2 H 4.572 -0.209 -7.139 1.00 . A A . 5 LEU HB2 1 1
6 1291 1 1 5 LEU HB3 H 3.746 -1.754 -7.146 1.00 . A A . 5 LEU HB3 1 1
6 1292 1 1 5 LEU HD11 H 3.504 -0.457 -9.216 1.00 . A A . 5 LEU HD11 1 1
6 1293 1 1 5 LEU HD12 H 2.348 0.871 -9.305 1.00 . A A . 5 LEU HD12 1 1
6 1294 1 1 5 LEU HD13 H 1.774 -0.796 -9.284 1.00 . A A . 5 LEU HD13 1 1
6 1295 1 1 5 LEU HD21 H 1.279 -1.824 -7.020 1.00 . A A . 5 LEU HD21 1 1
6 1296 1 1 5 LEU HD22 H 0.341 -0.396 -7.457 1.00 . A A . 5 LEU HD22 1 1
6 1297 1 1 5 LEU HD23 H 1.046 -0.529 -5.847 1.00 . A A . 5 LEU HD23 1 1
6 1298 1 1 5 LEU HG H 2.425 0.962 -7.086 1.00 . A A . 5 LEU HG 1 1
6 1299 1 1 5 LEU N N 3.675 0.577 -4.700 1.00 . A A . 5 LEU N 1 1
6 1300 1 1 5 LEU O O 6.042 -1.442 -5.485 1.00 . A A . 5 LEU O 1 1
6 1301 1 1 6 PRO C C 6.545 -3.962 -3.625 1.00 . A A . 6 PRO C 1 1
6 1302 1 1 6 PRO CA C 6.213 -2.626 -2.957 1.00 . A A . 6 PRO CA 1 1
6 1303 1 1 6 PRO CB C 5.823 -2.830 -1.486 1.00 . A A . 6 PRO CB 1 1
6 1304 1 1 6 PRO CD C 3.903 -1.967 -2.613 1.00 . A A . 6 PRO CD 1 1
6 1305 1 1 6 PRO CG C 4.590 -2.011 -1.282 1.00 . A A . 6 PRO CG 1 1
6 1306 1 1 6 PRO HA H 7.075 -1.978 -3.014 1.00 . A A . 6 PRO HA 1 1
6 1307 1 1 6 PRO HB2 H 5.632 -3.878 -1.306 1.00 . A A . 6 PRO HB2 1 1
6 1308 1 1 6 PRO HB3 H 6.629 -2.495 -0.849 1.00 . A A . 6 PRO HB3 1 1
6 1309 1 1 6 PRO HD2 H 3.272 -2.834 -2.742 1.00 . A A . 6 PRO HD2 1 1
6 1310 1 1 6 PRO HD3 H 3.332 -1.057 -2.715 1.00 . A A . 6 PRO HD3 1 1
6 1311 1 1 6 PRO HG2 H 3.953 -2.480 -0.547 1.00 . A A . 6 PRO HG2 1 1
6 1312 1 1 6 PRO HG3 H 4.860 -1.014 -0.966 1.00 . A A . 6 PRO HG3 1 1
6 1313 1 1 6 PRO N N 5.031 -1.989 -3.551 1.00 . A A . 6 PRO N 1 1
6 1314 1 1 6 PRO O O 7.419 -4.030 -4.492 1.00 . A A . 6 PRO O 1 1
6 1315 1 1 7 GLY C C 6.014 -7.445 -2.827 1.00 . A A . 7 GLY C 1 1
6 1316 1 1 7 GLY CA C 6.076 -6.318 -3.835 1.00 . A A . 7 GLY CA 1 1
6 1317 1 1 7 GLY H H 5.136 -4.914 -2.557 1.00 . A A . 7 GLY H 1 1
6 1318 1 1 7 GLY HA2 H 5.332 -6.493 -4.599 1.00 . A A . 7 GLY HA2 1 1
6 1319 1 1 7 GLY HA3 H 7.053 -6.316 -4.296 1.00 . A A . 7 GLY HA3 1 1
6 1320 1 1 7 GLY N N 5.839 -5.019 -3.239 1.00 . A A . 7 GLY N 1 1
6 1321 1 1 7 GLY O O 5.624 -8.564 -3.164 1.00 . A A . 7 GLY O 1 1
6 1322 1 1 8 GLY C C 6.481 -7.554 0.833 1.00 . A A . 8 GLY C 1 1
6 1323 1 1 8 GLY CA C 6.329 -8.154 -0.546 1.00 . A A . 8 GLY CA 1 1
6 1324 1 1 8 GLY H H 6.650 -6.236 -1.371 1.00 . A A . 8 GLY H 1 1
6 1325 1 1 8 GLY HA2 H 5.383 -8.676 -0.599 1.00 . A A . 8 GLY HA2 1 1
6 1326 1 1 8 GLY HA3 H 7.129 -8.860 -0.714 1.00 . A A . 8 GLY HA3 1 1
6 1327 1 1 8 GLY N N 6.367 -7.148 -1.586 1.00 . A A . 8 GLY N 1 1
6 1328 1 1 8 GLY O O 7.155 -6.535 1.004 1.00 . A A . 8 GLY O 1 1
6 1329 1 1 9 GLY C C 4.597 -6.907 3.529 1.00 . A A . 9 GLY C 1 1
6 1330 1 1 9 GLY CA C 5.861 -7.651 3.169 1.00 . A A . 9 GLY CA 1 1
6 1331 1 1 9 GLY H H 5.272 -8.946 1.603 1.00 . A A . 9 GLY H 1 1
6 1332 1 1 9 GLY HA2 H 5.987 -8.481 3.848 1.00 . A A . 9 GLY HA2 1 1
6 1333 1 1 9 GLY HA3 H 6.703 -6.982 3.271 1.00 . A A . 9 GLY HA3 1 1
6 1334 1 1 9 GLY N N 5.818 -8.156 1.811 1.00 . A A . 9 GLY N 1 1
6 1335 1 1 9 GLY O O 3.574 -7.518 3.839 1.00 . A A . 9 GLY O 1 1
6 1336 1 1 10 GLY C C 3.038 -4.090 2.325 1.00 . A A . 10 GLY C 1 1
6 1337 1 1 10 GLY CA C 3.460 -4.785 3.596 1.00 . A A . 10 GLY CA 1 1
6 1338 1 1 10 GLY H H 5.454 -5.178 3.027 1.00 . A A . 10 GLY H 1 1
6 1339 1 1 10 GLY HA2 H 2.653 -5.417 3.940 1.00 . A A . 10 GLY HA2 1 1
6 1340 1 1 10 GLY HA3 H 3.675 -4.044 4.349 1.00 . A A . 10 GLY HA3 1 1
6 1341 1 1 10 GLY N N 4.636 -5.597 3.376 1.00 . A A . 10 GLY N 1 1
6 1342 1 1 10 GLY O O 3.846 -3.941 1.406 1.00 . A A . 10 GLY O 1 1
6 1343 1 1 11 VAL C C 0.917 -1.621 1.298 1.00 . A A . 11 VAL C 1 1
6 1344 1 1 11 VAL CA C 1.275 -3.078 1.027 1.00 . A A . 11 VAL CA 1 1
6 1345 1 1 11 VAL CB C 0.042 -3.810 0.450 1.00 . A A . 11 VAL CB 1 1
6 1346 1 1 11 VAL CG1 C -0.173 -3.426 -1.010 1.00 . A A . 11 VAL CG1 1 1
6 1347 1 1 11 VAL CG2 C 0.185 -5.319 0.592 1.00 . A A . 11 VAL CG2 1 1
6 1348 1 1 11 VAL H H 1.160 -3.879 2.982 1.00 . A A . 11 VAL H 1 1
6 1349 1 1 11 VAL HA H 2.062 -3.108 0.289 1.00 . A A . 11 VAL HA 1 1
6 1350 1 1 11 VAL HB H -0.828 -3.500 1.009 1.00 . A A . 11 VAL HB 1 1
6 1351 1 1 11 VAL HG11 H 0.676 -2.851 -1.362 1.00 . A A . 11 VAL HG11 1 1
6 1352 1 1 11 VAL HG12 H -1.069 -2.828 -1.096 1.00 . A A . 11 VAL HG12 1 1
6 1353 1 1 11 VAL HG13 H -0.276 -4.319 -1.608 1.00 . A A . 11 VAL HG13 1 1
6 1354 1 1 11 VAL HG21 H -0.432 -5.662 1.409 1.00 . A A . 11 VAL HG21 1 1
6 1355 1 1 11 VAL HG22 H 1.217 -5.565 0.792 1.00 . A A . 11 VAL HG22 1 1
6 1356 1 1 11 VAL HG23 H -0.129 -5.799 -0.324 1.00 . A A . 11 VAL HG23 1 1
6 1357 1 1 11 VAL N N 1.775 -3.711 2.233 1.00 . A A . 11 VAL N 1 1
6 1358 1 1 11 VAL O O 0.698 -1.227 2.441 1.00 . A A . 11 VAL O 1 1
6 1359 1 1 12 CYS C C -0.860 0.814 0.707 1.00 . A A . 12 CYS C 1 1
6 1360 1 1 12 CYS CA C 0.585 0.576 0.266 1.00 . A A . 12 CYS CA 1 1
6 1361 1 1 12 CYS CB C 0.809 1.085 -1.134 1.00 . A A . 12 CYS CB 1 1
6 1362 1 1 12 CYS H H 1.083 -1.240 -0.640 1.00 . A A . 12 CYS H 1 1
6 1363 1 1 12 CYS HA H 1.258 1.068 0.932 1.00 . A A . 12 CYS HA 1 1
6 1364 1 1 12 CYS HB2 H 1.757 0.709 -1.483 1.00 . A A . 12 CYS HB2 1 1
6 1365 1 1 12 CYS HB3 H 0.041 0.670 -1.746 1.00 . A A . 12 CYS HB3 1 1
6 1366 1 1 12 CYS N N 0.895 -0.839 0.230 1.00 . A A . 12 CYS N 1 1
6 1367 1 1 12 CYS O O -1.782 0.819 -0.114 1.00 . A A . 12 CYS O 1 1
6 1368 1 1 12 CYS SG S 0.810 2.867 -1.352 1.00 . A A . 12 CYS SG 1 1
6 1369 1 1 13 ABA C C -2.910 -0.669 2.598 1.00 . A A . 13 ABA C 1 1
6 1370 1 1 13 ABA CA C -2.436 0.768 2.523 1.00 . A A . 13 ABA CA 1 1
6 1371 1 1 13 ABA CB C -2.574 1.467 3.894 1.00 . A A . 13 ABA CB 1 1
6 1372 1 1 13 ABA CG C -1.644 2.671 3.978 1.00 . A A . 13 ABA CG 1 1
6 1373 1 1 13 ABA H H -0.343 0.568 2.616 1.00 . A A . 13 ABA H 1 1
6 1374 1 1 13 ABA HA H -3.055 1.292 1.810 1.00 . A A . 13 ABA HA 1 1
6 1375 1 1 13 ABA HB3 H -3.589 1.820 3.994 1.00 . A A . 13 ABA HB3 1 1
6 1376 1 1 13 ABA HG1 H -0.746 2.397 4.512 1.00 . A A . 13 ABA HG1 1 1
6 1377 1 1 13 ABA HG2 H -2.142 3.477 4.497 1.00 . A A . 13 ABA HG2 1 1
6 1378 1 1 13 ABA HG3 H -1.383 2.992 2.980 1.00 . A A . 13 ABA HG3 1 1
6 1379 1 1 13 ABA N N -1.084 0.775 2.009 1.00 . A A . 13 ABA N 1 1
6 1380 1 1 13 ABA O O -2.645 -1.400 3.550 1.00 . A A . 13 ABA O 1 1
6 1381 1 1 14 LEU C C -3.611 -2.734 -0.309 1.00 . A A . 14 LEU C 1 1
6 1382 1 1 14 LEU CA C -3.718 -2.491 1.196 1.00 . A A . 14 LEU CA 1 1
6 1383 1 1 14 LEU CB C -5.124 -2.817 1.709 1.00 . A A . 14 LEU CB 1 1
6 1384 1 1 14 LEU CD1 C -4.572 -5.175 2.356 1.00 . A A . 14 LEU CD1 1 1
6 1385 1 1 14 LEU CD2 C -6.960 -4.468 2.110 1.00 . A A . 14 LEU CD2 1 1
6 1386 1 1 14 LEU CG C -5.542 -4.284 1.595 1.00 . A A . 14 LEU CG 1 1
6 1387 1 1 14 LEU H H -3.348 -0.489 0.699 1.00 . A A . 14 LEU H 1 1
6 1388 1 1 14 LEU HA H -2.991 -3.108 1.707 1.00 . A A . 14 LEU HA 1 1
6 1389 1 1 14 LEU HB2 H -5.180 -2.532 2.751 1.00 . A A . 14 LEU HB2 1 1
6 1390 1 1 14 LEU HB3 H -5.832 -2.221 1.154 1.00 . A A . 14 LEU HB3 1 1
6 1391 1 1 14 LEU HD11 H -4.218 -5.961 1.705 1.00 . A A . 14 LEU HD11 1 1
6 1392 1 1 14 LEU HD12 H -5.075 -5.611 3.206 1.00 . A A . 14 LEU HD12 1 1
6 1393 1 1 14 LEU HD13 H -3.736 -4.583 2.698 1.00 . A A . 14 LEU HD13 1 1
6 1394 1 1 14 LEU HD21 H -7.134 -3.789 2.931 1.00 . A A . 14 LEU HD21 1 1
6 1395 1 1 14 LEU HD22 H -7.090 -5.486 2.452 1.00 . A A . 14 LEU HD22 1 1
6 1396 1 1 14 LEU HD23 H -7.662 -4.262 1.316 1.00 . A A . 14 LEU HD23 1 1
6 1397 1 1 14 LEU HG H -5.520 -4.576 0.557 1.00 . A A . 14 LEU HG 1 1
6 1398 1 1 14 LEU N N -3.394 -1.100 1.455 1.00 . A A . 14 LEU N 1 1
6 1399 1 1 14 LEU O O -3.550 -3.866 -0.783 1.00 . A A . 14 LEU O 1 1
6 1400 1 1 15 ABA C C -4.983 -1.123 -2.993 1.00 . A A . 15 ABA C 1 1
6 1401 1 1 15 ABA CA C -3.654 -1.644 -2.499 1.00 . A A . 15 ABA CA 1 1
6 1402 1 1 15 ABA CB C -2.555 -0.716 -3.053 1.00 . A A . 15 ABA CB 1 1
6 1403 1 1 15 ABA CG C -1.555 -1.468 -3.918 1.00 . A A . 15 ABA CG 1 1
6 1404 1 1 15 ABA H H -3.765 -0.777 -0.596 1.00 . A A . 15 ABA H 1 1
6 1405 1 1 15 ABA HA H -3.489 -2.652 -2.852 1.00 . A A . 15 ABA HA 1 1
6 1406 1 1 15 ABA HB3 H -2.041 -0.260 -2.228 1.00 . A A . 15 ABA HB3 1 1
6 1407 1 1 15 ABA HG1 H -2.020 -1.743 -4.852 1.00 . A A . 15 ABA HG1 1 1
6 1408 1 1 15 ABA HG2 H -1.228 -2.357 -3.401 1.00 . A A . 15 ABA HG2 1 1
6 1409 1 1 15 ABA HG3 H -0.705 -0.832 -4.114 1.00 . A A . 15 ABA HG3 1 1
6 1410 1 1 15 ABA N N -3.660 -1.632 -1.047 1.00 . A A . 15 ABA N 1 1
6 1411 1 1 15 ABA O O -5.759 -1.836 -3.630 1.00 . A A . 15 ABA O 1 1
6 1412 1 1 16 DHA C C -7.293 1.212 -2.095 1.00 . A A . 16 DHA C 1 1
6 1413 1 1 16 DHA CA C -6.363 0.764 -3.062 1.00 . A A . 16 DHA CA 1 1
6 1414 1 1 16 DHA CB C -6.577 0.982 -4.362 1.00 . A A . 16 DHA CB 1 1
6 1415 1 1 16 DHA H H -4.507 0.602 -2.182 1.00 . A A . 16 DHA H 1 1
6 1416 1 1 16 DHA HB1 H -5.857 0.643 -5.092 1.00 . A A . 16 DHA HB1 1 1
6 1417 1 1 16 DHA HB2 H -7.437 1.528 -4.674 1.00 . A A . 16 DHA HB2 1 1
6 1418 1 1 16 DHA N N -5.219 0.143 -2.672 1.00 . A A . 16 DHA N 1 1
6 1419 1 1 16 DHA O O -8.052 2.149 -2.323 1.00 . A A . 16 DHA O 1 1
6 1420 1 1 17 GLU C C -7.414 2.187 0.952 1.00 . A A . 17 GLU C 1 1
6 1421 1 1 17 GLU CA C -8.055 1.019 0.212 1.00 . A A . 17 GLU CA 1 1
6 1422 1 1 17 GLU CB C -8.248 -0.165 1.161 1.00 . A A . 17 GLU CB 1 1
6 1423 1 1 17 GLU CD C -9.251 -1.015 3.313 1.00 . A A . 17 GLU CD 1 1
6 1424 1 1 17 GLU CG C -9.236 0.098 2.284 1.00 . A A . 17 GLU CG 1 1
6 1425 1 1 17 GLU H H -6.570 -0.112 -0.784 1.00 . A A . 17 GLU H 1 1
6 1426 1 1 17 GLU HA H -9.012 1.326 -0.180 1.00 . A A . 17 GLU HA 1 1
6 1427 1 1 17 GLU HB2 H -8.599 -1.013 0.594 1.00 . A A . 17 GLU HB2 1 1
6 1428 1 1 17 GLU HB3 H -7.294 -0.410 1.605 1.00 . A A . 17 GLU HB3 1 1
6 1429 1 1 17 GLU HG2 H -8.961 1.019 2.775 1.00 . A A . 17 GLU HG2 1 1
6 1430 1 1 17 GLU HG3 H -10.225 0.195 1.861 1.00 . A A . 17 GLU HG3 1 1
6 1431 1 1 17 GLU N N -7.206 0.626 -0.906 1.00 . A A . 17 GLU N 1 1
6 1432 1 1 17 GLU O O -8.103 3.076 1.448 1.00 . A A . 17 GLU O 1 1
6 1433 1 1 17 GLU OE1 O -8.206 -1.255 3.948 1.00 . A A . 17 GLU OE1 1 1
6 1434 1 1 17 GLU OE2 O -10.308 -1.645 3.506 1.00 . A A . 17 GLU OE2 1 1
6 1435 1 1 18 CYS C C -5.049 4.373 0.231 1.00 . A A . 18 CYS C 1 1
6 1436 1 1 18 CYS CA C -5.360 3.415 1.371 1.00 . A A . 18 CYS CA 1 1
6 1437 1 1 18 CYS CB C -4.053 2.979 2.032 1.00 . A A . 18 CYS CB 1 1
6 1438 1 1 18 CYS H H -5.618 1.595 0.335 1.00 . A A . 18 CYS H 1 1
6 1439 1 1 18 CYS HA H -5.981 3.917 2.096 1.00 . A A . 18 CYS HA 1 1
6 1440 1 1 18 CYS HB2 H -3.494 2.383 1.325 1.00 . A A . 18 CYS HB2 1 1
6 1441 1 1 18 CYS HB3 H -3.481 3.865 2.269 1.00 . A A . 18 CYS HB3 1 1
6 1442 1 1 18 CYS N N -6.092 2.265 0.860 1.00 . A A . 18 CYS N 1 1
6 1443 1 1 18 CYS O O -5.906 5.146 -0.194 1.00 . A A . 18 CYS O 1 1
6 1444 1 1 18 CYS SG S -4.270 2.003 3.540 1.00 . A A . 18 CYS SG 1 1
6 1445 1 1 19 ILE C C -3.863 4.569 -2.727 1.00 . A A . 19 ILE C 1 1
6 1446 1 1 19 ILE CA C -3.422 5.149 -1.382 1.00 . A A . 19 ILE CA 1 1
6 1447 1 1 19 ILE CB C -1.897 5.379 -1.385 1.00 . A A . 19 ILE CB 1 1
6 1448 1 1 19 ILE CD1 C 0.061 6.049 0.113 1.00 . A A . 19 ILE CD1 1 1
6 1449 1 1 19 ILE CG1 C -1.434 5.853 -0.003 1.00 . A A . 19 ILE CG1 1 1
6 1450 1 1 19 ILE CG2 C -1.519 6.399 -2.454 1.00 . A A . 19 ILE CG2 1 1
6 1451 1 1 19 ILE H H -3.190 3.653 0.084 1.00 . A A . 19 ILE H 1 1
6 1452 1 1 19 ILE HA H -3.905 6.100 -1.231 1.00 . A A . 19 ILE HA 1 1
6 1453 1 1 19 ILE HB H -1.411 4.444 -1.623 1.00 . A A . 19 ILE HB 1 1
6 1454 1 1 19 ILE HD11 H 0.387 5.755 1.101 1.00 . A A . 19 ILE HD11 1 1
6 1455 1 1 19 ILE HD12 H 0.302 7.089 -0.050 1.00 . A A . 19 ILE HD12 1 1
6 1456 1 1 19 ILE HD13 H 0.562 5.442 -0.626 1.00 . A A . 19 ILE HD13 1 1
6 1457 1 1 19 ILE HG12 H -1.909 6.797 0.220 1.00 . A A . 19 ILE HG12 1 1
6 1458 1 1 19 ILE HG13 H -1.733 5.125 0.736 1.00 . A A . 19 ILE HG13 1 1
6 1459 1 1 19 ILE HG21 H -2.349 6.534 -3.133 1.00 . A A . 19 ILE HG21 1 1
6 1460 1 1 19 ILE HG22 H -0.660 6.045 -3.003 1.00 . A A . 19 ILE HG22 1 1
6 1461 1 1 19 ILE HG23 H -1.283 7.341 -1.984 1.00 . A A . 19 ILE HG23 1 1
6 1462 1 1 19 ILE N N -3.832 4.289 -0.291 1.00 . A A . 19 ILE N 1 1
6 1463 1 1 19 ILE O O -4.828 5.041 -3.329 1.00 . A A . 19 ILE O 1 1
6 1464 1 1 20 TEE CA C -3.510 2.954 -4.389 1.00 . A A . 20 TEE CA 1 1
6 1465 1 1 20 TEE CB C -3.228 1.590 -4.632 1.00 . A A . 20 TEE CB 1 1
6 1466 1 1 20 TEE HA H -4.526 2.575 -4.457 1.00 . A A . 20 TEE HA 1 1
6 1467 1 1 20 TEE HB2 H -3.977 0.836 -4.429 1.00 . A A . 20 TEE HB2 1 1
6 1468 1 1 20 TEE HN1 H -2.415 3.217 -2.635 1.00 . A A . 20 TEE HN1 1 1
6 1469 1 1 20 TEE N N -3.164 3.530 -3.187 1.00 . A A . 20 TEE N 1 1
6 1470 1 1 20 TEE SG S -2.306 1.070 -3.171 1.00 . A A . 20 TEE SG 1 1
7 1471 1 1 1 CYS C C 10.292 2.848 -0.335 1.00 . A A . 1 CYS C 1 1
7 1472 1 1 1 CYS CA C 9.518 2.251 0.835 1.00 . A A . 1 CYS CA 1 1
7 1473 1 1 1 CYS CB C 9.826 3.019 2.118 1.00 . A A . 1 CYS CB 1 1
7 1474 1 1 1 CYS H1 H 8.982 0.275 1.201 1.00 . A A . 1 CYS H1 1 1
7 1475 1 1 1 CYS H2 H 10.493 0.710 1.839 1.00 . A A . 1 CYS H2 1 1
7 1476 1 1 1 CYS H3 H 10.320 0.450 0.173 1.00 . A A . 1 CYS H3 1 1
7 1477 1 1 1 CYS HA H 8.461 2.326 0.625 1.00 . A A . 1 CYS HA 1 1
7 1478 1 1 1 CYS HB2 H 9.194 2.647 2.909 1.00 . A A . 1 CYS HB2 1 1
7 1479 1 1 1 CYS HB3 H 10.860 2.857 2.384 1.00 . A A . 1 CYS HB3 1 1
7 1480 1 1 1 CYS N N 9.850 0.826 1.025 1.00 . A A . 1 CYS N 1 1
7 1481 1 1 1 CYS O O 11.406 2.412 -0.628 1.00 . A A . 1 CYS O 1 1
7 1482 1 1 1 CYS SG S 9.549 4.792 1.954 1.00 . A A . 1 CYS SG 1 1
7 1483 1 1 2 ABA C C 7.282 3.256 -1.020 1.00 . A A . 2 ABA C 1 1
7 1484 1 1 2 ABA CA C 8.348 4.315 -0.743 1.00 . A A . 2 ABA CA 1 1
7 1485 1 1 2 ABA CB C 8.227 4.799 0.724 1.00 . A A . 2 ABA CB 1 1
7 1486 1 1 2 ABA CG C 8.950 6.122 0.912 1.00 . A A . 2 ABA CG 1 1
7 1487 1 1 2 ABA H H 10.172 4.199 -1.810 1.00 . A A . 2 ABA H 1 1
7 1488 1 1 2 ABA HA H 8.167 5.162 -1.388 1.00 . A A . 2 ABA HA 1 1
7 1489 1 1 2 ABA HB3 H 7.180 4.953 0.944 1.00 . A A . 2 ABA HB3 1 1
7 1490 1 1 2 ABA HG1 H 8.830 6.459 1.932 1.00 . A A . 2 ABA HG1 1 1
7 1491 1 1 2 ABA HG2 H 8.532 6.857 0.241 1.00 . A A . 2 ABA HG2 1 1
7 1492 1 1 2 ABA HG3 H 10.000 5.994 0.694 1.00 . A A . 2 ABA HG3 1 1
7 1493 1 1 2 ABA N N 9.692 3.809 -1.046 1.00 . A A . 2 ABA N 1 1
7 1494 1 1 2 ABA O O 7.562 2.229 -1.642 1.00 . A A . 2 ABA O 1 1
7 1495 1 1 3 PHE C C 4.353 2.690 -2.088 1.00 . A A . 3 PHE C 1 1
7 1496 1 1 3 PHE CA C 4.992 2.541 -0.707 1.00 . A A . 3 PHE CA 1 1
7 1497 1 1 3 PHE CB C 3.949 2.696 0.412 1.00 . A A . 3 PHE CB 1 1
7 1498 1 1 3 PHE CD1 C 2.791 4.810 -0.264 1.00 . A A . 3 PHE CD1 1 1
7 1499 1 1 3 PHE CD2 C 3.855 4.744 1.867 1.00 . A A . 3 PHE CD2 1 1
7 1500 1 1 3 PHE CE1 C 2.399 6.111 -0.031 1.00 . A A . 3 PHE CE1 1 1
7 1501 1 1 3 PHE CE2 C 3.468 6.045 2.104 1.00 . A A . 3 PHE CE2 1 1
7 1502 1 1 3 PHE CG C 3.521 4.111 0.681 1.00 . A A . 3 PHE CG 1 1
7 1503 1 1 3 PHE CZ C 2.727 6.717 1.206 1.00 . A A . 3 PHE CZ 1 1
7 1504 1 1 3 PHE H H 5.911 4.315 -0.030 1.00 . A A . 3 PHE H 1 1
7 1505 1 1 3 PHE HA H 5.417 1.551 -0.641 1.00 . A A . 3 PHE HA 1 1
7 1506 1 1 3 PHE HB2 H 3.066 2.136 0.147 1.00 . A A . 3 PHE HB2 1 1
7 1507 1 1 3 PHE HB3 H 4.358 2.295 1.328 1.00 . A A . 3 PHE HB3 1 1
7 1508 1 1 3 PHE HD1 H 2.525 4.325 -1.191 1.00 . A A . 3 PHE HD1 1 1
7 1509 1 1 3 PHE HD2 H 4.427 4.208 2.609 1.00 . A A . 3 PHE HD2 1 1
7 1510 1 1 3 PHE HE1 H 1.827 6.644 -0.777 1.00 . A A . 3 PHE HE1 1 1
7 1511 1 1 3 PHE HE2 H 3.734 6.527 3.035 1.00 . A A . 3 PHE HE2 1 1
7 1512 1 1 3 PHE HZ H 2.419 7.731 1.410 1.00 . A A . 3 PHE HZ 1 1
7 1513 1 1 3 PHE N N 6.078 3.486 -0.523 1.00 . A A . 3 PHE N 1 1
7 1514 1 1 3 PHE O O 4.899 3.348 -2.974 1.00 . A A . 3 PHE O 1 1
7 1515 1 1 4 ABA C C 2.386 0.589 -4.018 1.00 . A A . 4 ABA C 1 1
7 1516 1 1 4 ABA CA C 2.512 2.030 -3.537 1.00 . A A . 4 ABA CA 1 1
7 1517 1 1 4 ABA CB C 1.109 2.679 -3.429 1.00 . A A . 4 ABA CB 1 1
7 1518 1 1 4 ABA CG C 1.194 4.176 -3.684 1.00 . A A . 4 ABA CG 1 1
7 1519 1 1 4 ABA H H 2.862 1.518 -1.523 1.00 . A A . 4 ABA H 1 1
7 1520 1 1 4 ABA HA H 3.095 2.586 -4.250 1.00 . A A . 4 ABA HA 1 1
7 1521 1 1 4 ABA HB3 H 0.742 2.529 -2.425 1.00 . A A . 4 ABA HB3 1 1
7 1522 1 1 4 ABA HG1 H 0.946 4.710 -2.777 1.00 . A A . 4 ABA HG1 1 1
7 1523 1 1 4 ABA HG2 H 0.497 4.449 -4.462 1.00 . A A . 4 ABA HG2 1 1
7 1524 1 1 4 ABA HG3 H 2.197 4.434 -3.990 1.00 . A A . 4 ABA HG3 1 1
7 1525 1 1 4 ABA N N 3.216 2.045 -2.262 1.00 . A A . 4 ABA N 1 1
7 1526 1 1 4 ABA O O 1.630 -0.196 -3.447 1.00 . A A . 4 ABA O 1 1
7 1527 1 1 5 LEU C C 4.898 -1.659 -4.876 1.00 . A A . 5 LEU C 1 1
7 1528 1 1 5 LEU CA C 3.469 -1.227 -5.186 1.00 . A A . 5 LEU CA 1 1
7 1529 1 1 5 LEU CB C 3.093 -1.536 -6.647 1.00 . A A . 5 LEU CB 1 1
7 1530 1 1 5 LEU CD1 C 3.795 -1.378 -9.046 1.00 . A A . 5 LEU CD1 1 1
7 1531 1 1 5 LEU CD2 C 2.888 0.630 -7.891 1.00 . A A . 5 LEU CD2 1 1
7 1532 1 1 5 LEU CG C 3.711 -0.637 -7.722 1.00 . A A . 5 LEU CG 1 1
7 1533 1 1 5 LEU H H 4.026 0.816 -5.136 1.00 . A A . 5 LEU H 1 1
7 1534 1 1 5 LEU HA H 2.803 -1.777 -4.535 1.00 . A A . 5 LEU HA 1 1
7 1535 1 1 5 LEU HB2 H 3.383 -2.555 -6.858 1.00 . A A . 5 LEU HB2 1 1
7 1536 1 1 5 LEU HB3 H 2.018 -1.467 -6.735 1.00 . A A . 5 LEU HB3 1 1
7 1537 1 1 5 LEU HD11 H 2.799 -1.613 -9.389 1.00 . A A . 5 LEU HD11 1 1
7 1538 1 1 5 LEU HD12 H 4.357 -2.292 -8.914 1.00 . A A . 5 LEU HD12 1 1
7 1539 1 1 5 LEU HD13 H 4.289 -0.756 -9.775 1.00 . A A . 5 LEU HD13 1 1
7 1540 1 1 5 LEU HD21 H 1.892 0.371 -8.220 1.00 . A A . 5 LEU HD21 1 1
7 1541 1 1 5 LEU HD22 H 3.357 1.268 -8.628 1.00 . A A . 5 LEU HD22 1 1
7 1542 1 1 5 LEU HD23 H 2.831 1.153 -6.946 1.00 . A A . 5 LEU HD23 1 1
7 1543 1 1 5 LEU HG H 4.712 -0.358 -7.425 1.00 . A A . 5 LEU HG 1 1
7 1544 1 1 5 LEU N N 3.316 0.183 -4.864 1.00 . A A . 5 LEU N 1 1
7 1545 1 1 5 LEU O O 5.794 -1.556 -5.715 1.00 . A A . 5 LEU O 1 1
7 1546 1 1 6 PRO C C 6.734 -3.820 -3.023 1.00 . A A . 6 PRO C 1 1
7 1547 1 1 6 PRO CA C 6.481 -2.322 -3.118 1.00 . A A . 6 PRO CA 1 1
7 1548 1 1 6 PRO CB C 6.478 -1.694 -1.720 1.00 . A A . 6 PRO CB 1 1
7 1549 1 1 6 PRO CD C 4.191 -1.995 -2.500 1.00 . A A . 6 PRO CD 1 1
7 1550 1 1 6 PRO CG C 5.033 -1.571 -1.319 1.00 . A A . 6 PRO CG 1 1
7 1551 1 1 6 PRO HA H 7.249 -1.861 -3.721 1.00 . A A . 6 PRO HA 1 1
7 1552 1 1 6 PRO HB2 H 7.019 -2.335 -1.039 1.00 . A A . 6 PRO HB2 1 1
7 1553 1 1 6 PRO HB3 H 6.957 -0.726 -1.761 1.00 . A A . 6 PRO HB3 1 1
7 1554 1 1 6 PRO HD2 H 3.780 -2.980 -2.337 1.00 . A A . 6 PRO HD2 1 1
7 1555 1 1 6 PRO HD3 H 3.402 -1.280 -2.681 1.00 . A A . 6 PRO HD3 1 1
7 1556 1 1 6 PRO HG2 H 4.835 -2.218 -0.478 1.00 . A A . 6 PRO HG2 1 1
7 1557 1 1 6 PRO HG3 H 4.814 -0.545 -1.057 1.00 . A A . 6 PRO HG3 1 1
7 1558 1 1 6 PRO N N 5.154 -2.003 -3.605 1.00 . A A . 6 PRO N 1 1
7 1559 1 1 6 PRO O O 5.801 -4.626 -3.036 1.00 . A A . 6 PRO O 1 1
7 1560 1 1 7 GLY C C 9.011 -5.879 -1.463 1.00 . A A . 7 GLY C 1 1
7 1561 1 1 7 GLY CA C 8.367 -5.581 -2.800 1.00 . A A . 7 GLY CA 1 1
7 1562 1 1 7 GLY H H 8.702 -3.495 -2.919 1.00 . A A . 7 GLY H 1 1
7 1563 1 1 7 GLY HA2 H 7.479 -6.188 -2.906 1.00 . A A . 7 GLY HA2 1 1
7 1564 1 1 7 GLY HA3 H 9.062 -5.832 -3.588 1.00 . A A . 7 GLY HA3 1 1
7 1565 1 1 7 GLY N N 8.002 -4.186 -2.920 1.00 . A A . 7 GLY N 1 1
7 1566 1 1 7 GLY O O 9.904 -6.724 -1.364 1.00 . A A . 7 GLY O 1 1
7 1567 1 1 8 GLY C C 8.627 -4.297 1.865 1.00 . A A . 8 GLY C 1 1
7 1568 1 1 8 GLY CA C 9.170 -5.307 0.880 1.00 . A A . 8 GLY CA 1 1
7 1569 1 1 8 GLY H H 7.915 -4.455 -0.589 1.00 . A A . 8 GLY H 1 1
7 1570 1 1 8 GLY HA2 H 8.942 -6.302 1.234 1.00 . A A . 8 GLY HA2 1 1
7 1571 1 1 8 GLY HA3 H 10.241 -5.193 0.816 1.00 . A A . 8 GLY HA3 1 1
7 1572 1 1 8 GLY N N 8.600 -5.140 -0.441 1.00 . A A . 8 GLY N 1 1
7 1573 1 1 8 GLY O O 8.113 -3.248 1.467 1.00 . A A . 8 GLY O 1 1
7 1574 1 1 9 GLY C C 6.798 -3.867 4.473 1.00 . A A . 9 GLY C 1 1
7 1575 1 1 9 GLY CA C 8.276 -3.707 4.182 1.00 . A A . 9 GLY CA 1 1
7 1576 1 1 9 GLY H H 9.169 -5.460 3.400 1.00 . A A . 9 GLY H 1 1
7 1577 1 1 9 GLY HA2 H 8.831 -3.899 5.088 1.00 . A A . 9 GLY HA2 1 1
7 1578 1 1 9 GLY HA3 H 8.461 -2.689 3.870 1.00 . A A . 9 GLY HA3 1 1
7 1579 1 1 9 GLY N N 8.745 -4.606 3.148 1.00 . A A . 9 GLY N 1 1
7 1580 1 1 9 GLY O O 6.386 -4.833 5.120 1.00 . A A . 9 GLY O 1 1
7 1581 1 1 10 GLY C C 3.830 -2.786 2.863 1.00 . A A . 10 GLY C 1 1
7 1582 1 1 10 GLY CA C 4.566 -3.005 4.161 1.00 . A A . 10 GLY CA 1 1
7 1583 1 1 10 GLY H H 6.382 -2.216 3.437 1.00 . A A . 10 GLY H 1 1
7 1584 1 1 10 GLY HA2 H 4.305 -3.978 4.554 1.00 . A A . 10 GLY HA2 1 1
7 1585 1 1 10 GLY HA3 H 4.266 -2.246 4.868 1.00 . A A . 10 GLY HA3 1 1
7 1586 1 1 10 GLY N N 5.999 -2.937 3.975 1.00 . A A . 10 GLY N 1 1
7 1587 1 1 10 GLY O O 4.424 -2.893 1.788 1.00 . A A . 10 GLY O 1 1
7 1588 1 1 11 VAL C C 1.257 -0.763 1.720 1.00 . A A . 11 VAL C 1 1
7 1589 1 1 11 VAL CA C 1.770 -2.195 1.743 1.00 . A A . 11 VAL CA 1 1
7 1590 1 1 11 VAL CB C 0.569 -3.157 1.591 1.00 . A A . 11 VAL CB 1 1
7 1591 1 1 11 VAL CG1 C 0.205 -3.303 0.120 1.00 . A A . 11 VAL CG1 1 1
7 1592 1 1 11 VAL CG2 C 0.861 -4.513 2.215 1.00 . A A . 11 VAL CG2 1 1
7 1593 1 1 11 VAL H H 2.125 -2.356 3.827 1.00 . A A . 11 VAL H 1 1
7 1594 1 1 11 VAL HA H 2.424 -2.339 0.894 1.00 . A A . 11 VAL HA 1 1
7 1595 1 1 11 VAL HB H -0.284 -2.724 2.100 1.00 . A A . 11 VAL HB 1 1
7 1596 1 1 11 VAL HG11 H -0.795 -2.929 -0.042 1.00 . A A . 11 VAL HG11 1 1
7 1597 1 1 11 VAL HG12 H 0.250 -4.344 -0.164 1.00 . A A . 11 VAL HG12 1 1
7 1598 1 1 11 VAL HG13 H 0.902 -2.734 -0.482 1.00 . A A . 11 VAL HG13 1 1
7 1599 1 1 11 VAL HG21 H 1.194 -5.198 1.451 1.00 . A A . 11 VAL HG21 1 1
7 1600 1 1 11 VAL HG22 H -0.038 -4.897 2.675 1.00 . A A . 11 VAL HG22 1 1
7 1601 1 1 11 VAL HG23 H 1.633 -4.406 2.964 1.00 . A A . 11 VAL HG23 1 1
7 1602 1 1 11 VAL N N 2.550 -2.448 2.943 1.00 . A A . 11 VAL N 1 1
7 1603 1 1 11 VAL O O 1.205 -0.085 2.750 1.00 . A A . 11 VAL O 1 1
7 1604 1 1 12 CYS C C -1.099 1.089 0.753 1.00 . A A . 12 CYS C 1 1
7 1605 1 1 12 CYS CA C 0.353 1.002 0.290 1.00 . A A . 12 CYS CA 1 1
7 1606 1 1 12 CYS CB C 0.454 1.216 -1.193 1.00 . A A . 12 CYS CB 1 1
7 1607 1 1 12 CYS H H 0.937 -0.927 -0.235 1.00 . A A . 12 CYS H 1 1
7 1608 1 1 12 CYS HA H 0.947 1.725 0.803 1.00 . A A . 12 CYS HA 1 1
7 1609 1 1 12 CYS HB2 H 1.353 0.742 -1.547 1.00 . A A . 12 CYS HB2 1 1
7 1610 1 1 12 CYS HB3 H -0.377 0.719 -1.637 1.00 . A A . 12 CYS HB3 1 1
7 1611 1 1 12 CYS N N 0.879 -0.321 0.531 1.00 . A A . 12 CYS N 1 1
7 1612 1 1 12 CYS O O -2.028 1.097 -0.061 1.00 . A A . 12 CYS O 1 1
7 1613 1 1 12 CYS SG S 0.473 2.921 -1.754 1.00 . A A . 12 CYS SG 1 1
7 1614 1 1 13 ABA C C -2.890 -0.859 2.480 1.00 . A A . 13 ABA C 1 1
7 1615 1 1 13 ABA CA C -2.626 0.635 2.540 1.00 . A A . 13 ABA CA 1 1
7 1616 1 1 13 ABA CB C -2.825 1.168 3.972 1.00 . A A . 13 ABA CB 1 1
7 1617 1 1 13 ABA CG C -1.879 2.326 4.249 1.00 . A A . 13 ABA CG 1 1
7 1618 1 1 13 ABA H H -0.528 0.662 2.598 1.00 . A A . 13 ABA H 1 1
7 1619 1 1 13 ABA HA H -3.325 1.138 1.884 1.00 . A A . 13 ABA HA 1 1
7 1620 1 1 13 ABA HB3 H -2.593 0.371 4.665 1.00 . A A . 13 ABA HB3 1 1
7 1621 1 1 13 ABA HG1 H -2.196 2.843 5.143 1.00 . A A . 13 ABA HG1 1 1
7 1622 1 1 13 ABA HG2 H -1.895 3.010 3.412 1.00 . A A . 13 ABA HG2 1 1
7 1623 1 1 13 ABA HG3 H -0.877 1.948 4.387 1.00 . A A . 13 ABA HG3 1 1
7 1624 1 1 13 ABA N N -1.298 0.871 2.031 1.00 . A A . 13 ABA N 1 1
7 1625 1 1 13 ABA O O -2.495 -1.617 3.364 1.00 . A A . 13 ABA O 1 1
7 1626 1 1 14 LEU C C -3.261 -2.804 -0.561 1.00 . A A . 14 LEU C 1 1
7 1627 1 1 14 LEU CA C -3.411 -2.681 0.955 1.00 . A A . 14 LEU CA 1 1
7 1628 1 1 14 LEU CB C -4.758 -3.235 1.439 1.00 . A A . 14 LEU CB 1 1
7 1629 1 1 14 LEU CD1 C -5.078 -5.392 0.170 1.00 . A A . 14 LEU CD1 1 1
7 1630 1 1 14 LEU CD2 C -3.643 -5.353 2.215 1.00 . A A . 14 LEU CD2 1 1
7 1631 1 1 14 LEU CG C -4.875 -4.766 1.539 1.00 . A A . 14 LEU CG 1 1
7 1632 1 1 14 LEU H H -3.361 -0.614 0.584 1.00 . A A . 14 LEU H 1 1
7 1633 1 1 14 LEU HA H -2.604 -3.213 1.438 1.00 . A A . 14 LEU HA 1 1
7 1634 1 1 14 LEU HB2 H -4.956 -2.821 2.416 1.00 . A A . 14 LEU HB2 1 1
7 1635 1 1 14 LEU HB3 H -5.516 -2.885 0.763 1.00 . A A . 14 LEU HB3 1 1
7 1636 1 1 14 LEU HD11 H -5.593 -6.336 0.277 1.00 . A A . 14 LEU HD11 1 1
7 1637 1 1 14 LEU HD12 H -4.120 -5.555 -0.296 1.00 . A A . 14 LEU HD12 1 1
7 1638 1 1 14 LEU HD13 H -5.669 -4.727 -0.445 1.00 . A A . 14 LEU HD13 1 1
7 1639 1 1 14 LEU HD21 H -2.775 -5.169 1.599 1.00 . A A . 14 LEU HD21 1 1
7 1640 1 1 14 LEU HD22 H -3.775 -6.418 2.343 1.00 . A A . 14 LEU HD22 1 1
7 1641 1 1 14 LEU HD23 H -3.508 -4.886 3.182 1.00 . A A . 14 LEU HD23 1 1
7 1642 1 1 14 LEU HG H -5.735 -5.014 2.144 1.00 . A A . 14 LEU HG 1 1
7 1643 1 1 14 LEU N N -3.308 -1.274 1.301 1.00 . A A . 14 LEU N 1 1
7 1644 1 1 14 LEU O O -2.647 -3.734 -1.077 1.00 . A A . 14 LEU O 1 1
7 1645 1 1 15 ABA C C -4.952 -1.011 -3.221 1.00 . A A . 15 ABA C 1 1
7 1646 1 1 15 ABA CA C -3.709 -1.721 -2.702 1.00 . A A . 15 ABA CA 1 1
7 1647 1 1 15 ABA CB C -2.444 -0.950 -3.156 1.00 . A A . 15 ABA CB 1 1
7 1648 1 1 15 ABA CG C -1.922 -1.498 -4.473 1.00 . A A . 15 ABA CG 1 1
7 1649 1 1 15 ABA H H -4.248 -1.096 -0.770 1.00 . A A . 15 ABA H 1 1
7 1650 1 1 15 ABA HA H -3.672 -2.725 -3.102 1.00 . A A . 15 ABA HA 1 1
7 1651 1 1 15 ABA HB3 H -2.711 0.084 -3.304 1.00 . A A . 15 ABA HB3 1 1
7 1652 1 1 15 ABA HG1 H -2.389 -2.451 -4.677 1.00 . A A . 15 ABA HG1 1 1
7 1653 1 1 15 ABA HG2 H -0.852 -1.629 -4.409 1.00 . A A . 15 ABA HG2 1 1
7 1654 1 1 15 ABA HG3 H -2.154 -0.806 -5.268 1.00 . A A . 15 ABA HG3 1 1
7 1655 1 1 15 ABA N N -3.782 -1.801 -1.252 1.00 . A A . 15 ABA N 1 1
7 1656 1 1 15 ABA O O -5.737 -1.574 -3.984 1.00 . A A . 15 ABA O 1 1
7 1657 1 1 16 DHA C C -7.197 1.323 -2.115 1.00 . A A . 16 DHA C 1 1
7 1658 1 1 16 DHA CA C -6.247 0.942 -3.087 1.00 . A A . 16 DHA CA 1 1
7 1659 1 1 16 DHA CB C -6.405 1.326 -4.363 1.00 . A A . 16 DHA CB 1 1
7 1660 1 1 16 DHA H H -4.465 0.538 -2.106 1.00 . A A . 16 DHA H 1 1
7 1661 1 1 16 DHA HB1 H -5.678 1.042 -5.109 1.00 . A A . 16 DHA HB1 1 1
7 1662 1 1 16 DHA HB2 H -7.243 1.945 -4.638 1.00 . A A . 16 DHA HB2 1 1
7 1663 1 1 16 DHA N N -5.148 0.208 -2.726 1.00 . A A . 16 DHA N 1 1
7 1664 1 1 16 DHA O O -8.030 2.198 -2.347 1.00 . A A . 16 DHA O 1 1
7 1665 1 1 17 GLU C C -7.442 2.192 0.956 1.00 . A A . 17 GLU C 1 1
7 1666 1 1 17 GLU CA C -8.002 1.020 0.156 1.00 . A A . 17 GLU CA 1 1
7 1667 1 1 17 GLU CB C -8.175 -0.201 1.059 1.00 . A A . 17 GLU CB 1 1
7 1668 1 1 17 GLU CD C -9.462 -1.284 2.950 1.00 . A A . 17 GLU CD 1 1
7 1669 1 1 17 GLU CG C -9.263 -0.040 2.110 1.00 . A A . 17 GLU CG 1 1
7 1670 1 1 17 GLU H H -6.436 0.002 -0.828 1.00 . A A . 17 GLU H 1 1
7 1671 1 1 17 GLU HA H -8.960 1.297 -0.260 1.00 . A A . 17 GLU HA 1 1
7 1672 1 1 17 GLU HB2 H -8.421 -1.054 0.446 1.00 . A A . 17 GLU HB2 1 1
7 1673 1 1 17 GLU HB3 H -7.241 -0.391 1.568 1.00 . A A . 17 GLU HB3 1 1
7 1674 1 1 17 GLU HG2 H -8.993 0.775 2.765 1.00 . A A . 17 GLU HG2 1 1
7 1675 1 1 17 GLU HG3 H -10.193 0.193 1.613 1.00 . A A . 17 GLU HG3 1 1
7 1676 1 1 17 GLU N N -7.102 0.709 -0.944 1.00 . A A . 17 GLU N 1 1
7 1677 1 1 17 GLU O O -8.186 3.034 1.466 1.00 . A A . 17 GLU O 1 1
7 1678 1 1 17 GLU OE1 O -8.679 -2.246 2.803 1.00 . A A . 17 GLU OE1 1 1
7 1679 1 1 17 GLU OE2 O -10.409 -1.306 3.763 1.00 . A A . 17 GLU OE2 1 1
7 1680 1 1 18 CYS C C -5.026 4.420 0.459 1.00 . A A . 18 CYS C 1 1
7 1681 1 1 18 CYS CA C -5.441 3.443 1.543 1.00 . A A . 18 CYS CA 1 1
7 1682 1 1 18 CYS CB C -4.197 2.980 2.292 1.00 . A A . 18 CYS CB 1 1
7 1683 1 1 18 CYS H H -5.600 1.663 0.427 1.00 . A A . 18 CYS H 1 1
7 1684 1 1 18 CYS HA H -6.120 3.928 2.228 1.00 . A A . 18 CYS HA 1 1
7 1685 1 1 18 CYS HB2 H -3.452 2.692 1.563 1.00 . A A . 18 CYS HB2 1 1
7 1686 1 1 18 CYS HB3 H -3.815 3.807 2.868 1.00 . A A . 18 CYS HB3 1 1
7 1687 1 1 18 CYS N N -6.122 2.310 0.935 1.00 . A A . 18 CYS N 1 1
7 1688 1 1 18 CYS O O -5.752 5.361 0.141 1.00 . A A . 18 CYS O 1 1
7 1689 1 1 18 CYS SG S -4.497 1.590 3.413 1.00 . A A . 18 CYS SG 1 1
7 1690 1 1 19 ILE C C -3.706 4.437 -2.570 1.00 . A A . 19 ILE C 1 1
7 1691 1 1 19 ILE CA C -3.354 5.009 -1.193 1.00 . A A . 19 ILE CA 1 1
7 1692 1 1 19 ILE CB C -1.826 5.217 -1.084 1.00 . A A . 19 ILE CB 1 1
7 1693 1 1 19 ILE CD1 C -2.041 7.043 0.695 1.00 . A A . 19 ILE CD1 1 1
7 1694 1 1 19 ILE CG1 C -1.445 5.701 0.323 1.00 . A A . 19 ILE CG1 1 1
7 1695 1 1 19 ILE CG2 C -1.351 6.213 -2.133 1.00 . A A . 19 ILE CG2 1 1
7 1696 1 1 19 ILE H H -3.336 3.389 0.162 1.00 . A A . 19 ILE H 1 1
7 1697 1 1 19 ILE HA H -3.829 5.964 -1.079 1.00 . A A . 19 ILE HA 1 1
7 1698 1 1 19 ILE HB H -1.340 4.272 -1.275 1.00 . A A . 19 ILE HB 1 1
7 1699 1 1 19 ILE HD11 H -3.072 7.078 0.379 1.00 . A A . 19 ILE HD11 1 1
7 1700 1 1 19 ILE HD12 H -1.486 7.831 0.206 1.00 . A A . 19 ILE HD12 1 1
7 1701 1 1 19 ILE HD13 H -1.986 7.174 1.766 1.00 . A A . 19 ILE HD13 1 1
7 1702 1 1 19 ILE HG12 H -1.788 4.977 1.046 1.00 . A A . 19 ILE HG12 1 1
7 1703 1 1 19 ILE HG13 H -0.370 5.785 0.387 1.00 . A A . 19 ILE HG13 1 1
7 1704 1 1 19 ILE HG21 H -2.105 6.314 -2.898 1.00 . A A . 19 ILE HG21 1 1
7 1705 1 1 19 ILE HG22 H -0.432 5.858 -2.578 1.00 . A A . 19 ILE HG22 1 1
7 1706 1 1 19 ILE HG23 H -1.177 7.173 -1.668 1.00 . A A . 19 ILE HG23 1 1
7 1707 1 1 19 ILE N N -3.864 4.160 -0.134 1.00 . A A . 19 ILE N 1 1
7 1708 1 1 19 ILE O O -4.671 4.872 -3.199 1.00 . A A . 19 ILE O 1 1
7 1709 1 1 20 TEE CA C -3.186 2.923 -4.273 1.00 . A A . 20 TEE CA 1 1
7 1710 1 1 20 TEE CB C -3.051 1.535 -4.481 1.00 . A A . 20 TEE CB 1 1
7 1711 1 1 20 TEE HA H -4.239 2.675 -4.362 1.00 . A A . 20 TEE HA 1 1
7 1712 1 1 20 TEE HB2 H -3.902 0.883 -4.341 1.00 . A A . 20 TEE HB2 1 1
7 1713 1 1 20 TEE HN1 H -2.167 3.191 -2.473 1.00 . A A . 20 TEE HN1 1 1
7 1714 1 1 20 TEE N N -2.924 3.466 -3.037 1.00 . A A . 20 TEE N 1 1
7 1715 1 1 20 TEE SG S -2.156 0.833 -3.081 1.00 . A A . 20 TEE SG 1 1
8 1716 1 1 1 CYS C C 10.777 4.227 -0.613 1.00 . A A . 1 CYS C 1 1
8 1717 1 1 1 CYS CA C 11.116 5.663 -1.051 1.00 . A A . 1 CYS CA 1 1
8 1718 1 1 1 CYS CB C 10.390 6.062 -2.336 1.00 . A A . 1 CYS CB 1 1
8 1719 1 1 1 CYS H1 H 12.756 6.539 -1.986 1.00 . A A . 1 CYS H1 1 1
8 1720 1 1 1 CYS H2 H 12.910 4.867 -1.734 1.00 . A A . 1 CYS H2 1 1
8 1721 1 1 1 CYS H3 H 13.084 5.939 -0.431 1.00 . A A . 1 CYS H3 1 1
8 1722 1 1 1 CYS HA H 10.860 6.351 -0.257 1.00 . A A . 1 CYS HA 1 1
8 1723 1 1 1 CYS HB2 H 10.997 6.780 -2.867 1.00 . A A . 1 CYS HB2 1 1
8 1724 1 1 1 CYS HB3 H 10.272 5.183 -2.953 1.00 . A A . 1 CYS HB3 1 1
8 1725 1 1 1 CYS N N 12.566 5.760 -1.319 1.00 . A A . 1 CYS N 1 1
8 1726 1 1 1 CYS O O 11.640 3.556 -0.045 1.00 . A A . 1 CYS O 1 1
8 1727 1 1 1 CYS SG S 8.760 6.791 -2.072 1.00 . A A . 1 CYS SG 1 1
8 1728 1 1 2 ABA C C 7.330 3.507 -1.852 1.00 . A A . 2 ABA C 1 1
8 1729 1 1 2 ABA CA C 8.522 4.428 -1.616 1.00 . A A . 2 ABA CA 1 1
8 1730 1 1 2 ABA CB C 8.072 5.679 -0.830 1.00 . A A . 2 ABA CB 1 1
8 1731 1 1 2 ABA CG C 7.165 6.560 -1.677 1.00 . A A . 2 ABA CG 1 1
8 1732 1 1 2 ABA H H 9.393 2.779 -0.639 1.00 . A A . 2 ABA H 1 1
8 1733 1 1 2 ABA HA H 8.905 4.747 -2.573 1.00 . A A . 2 ABA HA 1 1
8 1734 1 1 2 ABA HB3 H 7.510 5.354 0.036 1.00 . A A . 2 ABA HB3 1 1
8 1735 1 1 2 ABA HG1 H 6.135 6.385 -1.400 1.00 . A A . 2 ABA HG1 1 1
8 1736 1 1 2 ABA HG2 H 7.301 6.320 -2.721 1.00 . A A . 2 ABA HG2 1 1
8 1737 1 1 2 ABA HG3 H 7.410 7.599 -1.510 1.00 . A A . 2 ABA HG3 1 1
8 1738 1 1 2 ABA N N 9.580 3.704 -0.924 1.00 . A A . 2 ABA N 1 1
8 1739 1 1 2 ABA O O 7.215 2.897 -2.917 1.00 . A A . 2 ABA O 1 1
8 1740 1 1 3 PHE C C 4.327 3.010 -2.006 1.00 . A A . 3 PHE C 1 1
8 1741 1 1 3 PHE CA C 5.309 2.497 -0.954 1.00 . A A . 3 PHE CA 1 1
8 1742 1 1 3 PHE CB C 4.606 2.321 0.404 1.00 . A A . 3 PHE CB 1 1
8 1743 1 1 3 PHE CD1 C 3.933 4.732 0.498 1.00 . A A . 3 PHE CD1 1 1
8 1744 1 1 3 PHE CD2 C 4.528 3.663 2.543 1.00 . A A . 3 PHE CD2 1 1
8 1745 1 1 3 PHE CE1 C 3.700 5.910 1.178 1.00 . A A . 3 PHE CE1 1 1
8 1746 1 1 3 PHE CE2 C 4.297 4.837 3.227 1.00 . A A . 3 PHE CE2 1 1
8 1747 1 1 3 PHE CG C 4.349 3.595 1.169 1.00 . A A . 3 PHE CG 1 1
8 1748 1 1 3 PHE CZ C 3.870 5.921 2.609 1.00 . A A . 3 PHE CZ 1 1
8 1749 1 1 3 PHE H H 6.634 3.849 -0.005 1.00 . A A . 3 PHE H 1 1
8 1750 1 1 3 PHE HA H 5.666 1.530 -1.277 1.00 . A A . 3 PHE HA 1 1
8 1751 1 1 3 PHE HB2 H 3.652 1.845 0.240 1.00 . A A . 3 PHE HB2 1 1
8 1752 1 1 3 PHE HB3 H 5.213 1.678 1.027 1.00 . A A . 3 PHE HB3 1 1
8 1753 1 1 3 PHE HD1 H 3.791 4.693 -0.572 1.00 . A A . 3 PHE HD1 1 1
8 1754 1 1 3 PHE HD2 H 4.851 2.782 3.078 1.00 . A A . 3 PHE HD2 1 1
8 1755 1 1 3 PHE HE1 H 3.376 6.788 0.641 1.00 . A A . 3 PHE HE1 1 1
8 1756 1 1 3 PHE HE2 H 4.438 4.876 4.296 1.00 . A A . 3 PHE HE2 1 1
8 1757 1 1 3 PHE HZ H 3.682 6.825 3.170 1.00 . A A . 3 PHE HZ 1 1
8 1758 1 1 3 PHE N N 6.474 3.366 -0.843 1.00 . A A . 3 PHE N 1 1
8 1759 1 1 3 PHE O O 4.444 4.135 -2.494 1.00 . A A . 3 PHE O 1 1
8 1760 1 1 4 ABA C C 2.091 1.150 -4.168 1.00 . A A . 4 ABA C 1 1
8 1761 1 1 4 ABA CA C 2.428 2.437 -3.427 1.00 . A A . 4 ABA CA 1 1
8 1762 1 1 4 ABA CB C 1.137 3.049 -2.830 1.00 . A A . 4 ABA CB 1 1
8 1763 1 1 4 ABA CG C 1.323 4.536 -2.571 1.00 . A A . 4 ABA CG 1 1
8 1764 1 1 4 ABA H H 3.425 1.243 -2.009 1.00 . A A . 4 ABA H 1 1
8 1765 1 1 4 ABA HA H 2.861 3.137 -4.120 1.00 . A A . 4 ABA HA 1 1
8 1766 1 1 4 ABA HB3 H 0.942 2.569 -1.884 1.00 . A A . 4 ABA HB3 1 1
8 1767 1 1 4 ABA HG1 H 0.356 5.012 -2.489 1.00 . A A . 4 ABA HG1 1 1
8 1768 1 1 4 ABA HG2 H 1.874 4.979 -3.389 1.00 . A A . 4 ABA HG2 1 1
8 1769 1 1 4 ABA HG3 H 1.872 4.673 -1.652 1.00 . A A . 4 ABA HG3 1 1
8 1770 1 1 4 ABA N N 3.412 2.140 -2.395 1.00 . A A . 4 ABA N 1 1
8 1771 1 1 4 ABA O O 1.120 0.471 -3.839 1.00 . A A . 4 ABA O 1 1
8 1772 1 1 5 LEU C C 4.220 -1.416 -5.169 1.00 . A A . 5 LEU C 1 1
8 1773 1 1 5 LEU CA C 2.968 -0.635 -5.560 1.00 . A A . 5 LEU CA 1 1
8 1774 1 1 5 LEU CB C 2.800 -0.582 -7.089 1.00 . A A . 5 LEU CB 1 1
8 1775 1 1 5 LEU CD1 C 3.917 -0.226 -9.302 1.00 . A A . 5 LEU CD1 1 1
8 1776 1 1 5 LEU CD2 C 3.501 1.726 -7.813 1.00 . A A . 5 LEU CD2 1 1
8 1777 1 1 5 LEU CG C 3.840 0.242 -7.860 1.00 . A A . 5 LEU CG 1 1
8 1778 1 1 5 LEU H H 3.885 1.198 -5.041 1.00 . A A . 5 LEU H 1 1
8 1779 1 1 5 LEU HA H 2.109 -1.131 -5.132 1.00 . A A . 5 LEU HA 1 1
8 1780 1 1 5 LEU HB2 H 2.834 -1.595 -7.464 1.00 . A A . 5 LEU HB2 1 1
8 1781 1 1 5 LEU HB3 H 1.824 -0.174 -7.304 1.00 . A A . 5 LEU HB3 1 1
8 1782 1 1 5 LEU HD11 H 4.930 -0.520 -9.531 1.00 . A A . 5 LEU HD11 1 1
8 1783 1 1 5 LEU HD12 H 3.619 0.578 -9.958 1.00 . A A . 5 LEU HD12 1 1
8 1784 1 1 5 LEU HD13 H 3.257 -1.070 -9.443 1.00 . A A . 5 LEU HD13 1 1
8 1785 1 1 5 LEU HD21 H 3.055 1.960 -6.858 1.00 . A A . 5 LEU HD21 1 1
8 1786 1 1 5 LEU HD22 H 2.805 1.963 -8.606 1.00 . A A . 5 LEU HD22 1 1
8 1787 1 1 5 LEU HD23 H 4.403 2.307 -7.942 1.00 . A A . 5 LEU HD23 1 1
8 1788 1 1 5 LEU HG H 4.812 0.101 -7.410 1.00 . A A . 5 LEU HG 1 1
8 1789 1 1 5 LEU N N 3.037 0.695 -4.975 1.00 . A A . 5 LEU N 1 1
8 1790 1 1 5 LEU O O 5.256 -1.334 -5.835 1.00 . A A . 5 LEU O 1 1
8 1791 1 1 6 PRO C C 5.328 -4.201 -3.512 1.00 . A A . 6 PRO C 1 1
8 1792 1 1 6 PRO CA C 5.359 -2.679 -3.399 1.00 . A A . 6 PRO CA 1 1
8 1793 1 1 6 PRO CB C 5.237 -2.252 -1.937 1.00 . A A . 6 PRO CB 1 1
8 1794 1 1 6 PRO CD C 3.078 -2.028 -3.027 1.00 . A A . 6 PRO CD 1 1
8 1795 1 1 6 PRO CG C 3.762 -2.134 -1.682 1.00 . A A . 6 PRO CG 1 1
8 1796 1 1 6 PRO HA H 6.278 -2.299 -3.815 1.00 . A A . 6 PRO HA 1 1
8 1797 1 1 6 PRO HB2 H 5.688 -3.002 -1.304 1.00 . A A . 6 PRO HB2 1 1
8 1798 1 1 6 PRO HB3 H 5.738 -1.305 -1.795 1.00 . A A . 6 PRO HB3 1 1
8 1799 1 1 6 PRO HD2 H 2.425 -2.874 -3.186 1.00 . A A . 6 PRO HD2 1 1
8 1800 1 1 6 PRO HD3 H 2.522 -1.104 -3.095 1.00 . A A . 6 PRO HD3 1 1
8 1801 1 1 6 PRO HG2 H 3.413 -3.011 -1.155 1.00 . A A . 6 PRO HG2 1 1
8 1802 1 1 6 PRO HG3 H 3.566 -1.249 -1.095 1.00 . A A . 6 PRO HG3 1 1
8 1803 1 1 6 PRO N N 4.196 -2.039 -3.982 1.00 . A A . 6 PRO N 1 1
8 1804 1 1 6 PRO O O 4.676 -4.760 -4.398 1.00 . A A . 6 PRO O 1 1
8 1805 1 1 7 GLY C C 6.802 -6.839 -1.396 1.00 . A A . 7 GLY C 1 1
8 1806 1 1 7 GLY CA C 6.099 -6.303 -2.620 1.00 . A A . 7 GLY CA 1 1
8 1807 1 1 7 GLY H H 6.543 -4.360 -1.934 1.00 . A A . 7 GLY H 1 1
8 1808 1 1 7 GLY HA2 H 5.094 -6.700 -2.652 1.00 . A A . 7 GLY HA2 1 1
8 1809 1 1 7 GLY HA3 H 6.633 -6.625 -3.500 1.00 . A A . 7 GLY HA3 1 1
8 1810 1 1 7 GLY N N 6.037 -4.862 -2.609 1.00 . A A . 7 GLY N 1 1
8 1811 1 1 7 GLY O O 8.027 -6.960 -1.377 1.00 . A A . 7 GLY O 1 1
8 1812 1 1 8 GLY C C 5.540 -7.845 1.936 1.00 . A A . 8 GLY C 1 1
8 1813 1 1 8 GLY CA C 6.602 -7.547 0.899 1.00 . A A . 8 GLY CA 1 1
8 1814 1 1 8 GLY H H 5.069 -6.901 -0.404 1.00 . A A . 8 GLY H 1 1
8 1815 1 1 8 GLY HA2 H 7.168 -8.446 0.708 1.00 . A A . 8 GLY HA2 1 1
8 1816 1 1 8 GLY HA3 H 7.268 -6.789 1.288 1.00 . A A . 8 GLY HA3 1 1
8 1817 1 1 8 GLY N N 6.035 -7.077 -0.344 1.00 . A A . 8 GLY N 1 1
8 1818 1 1 8 GLY O O 4.388 -8.123 1.590 1.00 . A A . 8 GLY O 1 1
8 1819 1 1 9 GLY C C 3.902 -7.026 4.413 1.00 . A A . 9 GLY C 1 1
8 1820 1 1 9 GLY CA C 4.993 -8.072 4.286 1.00 . A A . 9 GLY CA 1 1
8 1821 1 1 9 GLY H H 6.850 -7.544 3.418 1.00 . A A . 9 GLY H 1 1
8 1822 1 1 9 GLY HA2 H 4.534 -9.032 4.102 1.00 . A A . 9 GLY HA2 1 1
8 1823 1 1 9 GLY HA3 H 5.539 -8.119 5.217 1.00 . A A . 9 GLY HA3 1 1
8 1824 1 1 9 GLY N N 5.922 -7.784 3.208 1.00 . A A . 9 GLY N 1 1
8 1825 1 1 9 GLY O O 2.774 -7.338 4.805 1.00 . A A . 9 GLY O 1 1
8 1826 1 1 10 GLY C C 2.966 -4.119 2.809 1.00 . A A . 10 GLY C 1 1
8 1827 1 1 10 GLY CA C 3.266 -4.717 4.163 1.00 . A A . 10 GLY CA 1 1
8 1828 1 1 10 GLY H H 5.146 -5.601 3.761 1.00 . A A . 10 GLY H 1 1
8 1829 1 1 10 GLY HA2 H 2.352 -5.105 4.590 1.00 . A A . 10 GLY HA2 1 1
8 1830 1 1 10 GLY HA3 H 3.654 -3.945 4.809 1.00 . A A . 10 GLY HA3 1 1
8 1831 1 1 10 GLY N N 4.233 -5.789 4.075 1.00 . A A . 10 GLY N 1 1
8 1832 1 1 10 GLY O O 3.811 -4.148 1.909 1.00 . A A . 10 GLY O 1 1
8 1833 1 1 11 VAL C C 0.968 -1.534 1.620 1.00 . A A . 11 VAL C 1 1
8 1834 1 1 11 VAL CA C 1.354 -2.993 1.395 1.00 . A A . 11 VAL CA 1 1
8 1835 1 1 11 VAL CB C 0.168 -3.742 0.738 1.00 . A A . 11 VAL CB 1 1
8 1836 1 1 11 VAL CG1 C 0.004 -3.325 -0.722 1.00 . A A . 11 VAL CG1 1 1
8 1837 1 1 11 VAL CG2 C 0.346 -5.248 0.849 1.00 . A A . 11 VAL CG2 1 1
8 1838 1 1 11 VAL H H 1.129 -3.608 3.407 1.00 . A A . 11 VAL H 1 1
8 1839 1 1 11 VAL HA H 2.197 -3.034 0.719 1.00 . A A . 11 VAL HA 1 1
8 1840 1 1 11 VAL HB H -0.736 -3.470 1.265 1.00 . A A . 11 VAL HB 1 1
8 1841 1 1 11 VAL HG11 H -0.146 -2.255 -0.776 1.00 . A A . 11 VAL HG11 1 1
8 1842 1 1 11 VAL HG12 H -0.850 -3.830 -1.149 1.00 . A A . 11 VAL HG12 1 1
8 1843 1 1 11 VAL HG13 H 0.894 -3.589 -1.275 1.00 . A A . 11 VAL HG13 1 1
8 1844 1 1 11 VAL HG21 H -0.614 -5.713 1.020 1.00 . A A . 11 VAL HG21 1 1
8 1845 1 1 11 VAL HG22 H 1.006 -5.473 1.675 1.00 . A A . 11 VAL HG22 1 1
8 1846 1 1 11 VAL HG23 H 0.772 -5.630 -0.067 1.00 . A A . 11 VAL HG23 1 1
8 1847 1 1 11 VAL N N 1.760 -3.600 2.650 1.00 . A A . 11 VAL N 1 1
8 1848 1 1 11 VAL O O 0.683 -1.124 2.744 1.00 . A A . 11 VAL O 1 1
8 1849 1 1 12 CYS C C -0.855 0.834 0.898 1.00 . A A . 12 CYS C 1 1
8 1850 1 1 12 CYS CA C 0.624 0.643 0.552 1.00 . A A . 12 CYS CA 1 1
8 1851 1 1 12 CYS CB C 0.924 1.173 -0.832 1.00 . A A . 12 CYS CB 1 1
8 1852 1 1 12 CYS H H 1.225 -1.168 -0.315 1.00 . A A . 12 CYS H 1 1
8 1853 1 1 12 CYS HA H 1.235 1.152 1.264 1.00 . A A . 12 CYS HA 1 1
8 1854 1 1 12 CYS HB2 H 1.943 0.924 -1.077 1.00 . A A . 12 CYS HB2 1 1
8 1855 1 1 12 CYS HB3 H 0.279 0.668 -1.514 1.00 . A A . 12 CYS HB3 1 1
8 1856 1 1 12 CYS N N 0.979 -0.766 0.541 1.00 . A A . 12 CYS N 1 1
8 1857 1 1 12 CYS O O -1.716 0.861 0.014 1.00 . A A . 12 CYS O 1 1
8 1858 1 1 12 CYS SG S 0.724 2.944 -1.072 1.00 . A A . 12 CYS SG 1 1
8 1859 1 1 13 ABA C C -3.015 -0.744 2.620 1.00 . A A . 13 ABA C 1 1
8 1860 1 1 13 ABA CA C -2.554 0.705 2.594 1.00 . A A . 13 ABA CA 1 1
8 1861 1 1 13 ABA CB C -2.795 1.372 3.962 1.00 . A A . 13 ABA CB 1 1
8 1862 1 1 13 ABA CG C -1.893 2.585 4.139 1.00 . A A . 13 ABA CG 1 1
8 1863 1 1 13 ABA H H -0.477 0.505 2.822 1.00 . A A . 13 ABA H 1 1
8 1864 1 1 13 ABA HA H -3.133 1.235 1.850 1.00 . A A . 13 ABA HA 1 1
8 1865 1 1 13 ABA HB3 H -2.552 0.656 4.734 1.00 . A A . 13 ABA HB3 1 1
8 1866 1 1 13 ABA HG1 H -1.290 2.458 5.026 1.00 . A A . 13 ABA HG1 1 1
8 1867 1 1 13 ABA HG2 H -2.501 3.473 4.241 1.00 . A A . 13 ABA HG2 1 1
8 1868 1 1 13 ABA HG3 H -1.251 2.685 3.277 1.00 . A A . 13 ABA HG3 1 1
8 1869 1 1 13 ABA N N -1.171 0.744 2.177 1.00 . A A . 13 ABA N 1 1
8 1870 1 1 13 ABA O O -2.836 -1.473 3.598 1.00 . A A . 13 ABA O 1 1
8 1871 1 1 14 LEU C C -3.577 -2.813 -0.309 1.00 . A A . 14 LEU C 1 1
8 1872 1 1 14 LEU CA C -3.784 -2.562 1.179 1.00 . A A . 14 LEU CA 1 1
8 1873 1 1 14 LEU CB C -5.242 -2.830 1.566 1.00 . A A . 14 LEU CB 1 1
8 1874 1 1 14 LEU CD1 C -5.025 -5.221 2.298 1.00 . A A . 14 LEU CD1 1 1
8 1875 1 1 14 LEU CD2 C -7.236 -4.347 1.521 1.00 . A A . 14 LEU CD2 1 1
8 1876 1 1 14 LEU CG C -5.728 -4.264 1.348 1.00 . A A . 14 LEU CG 1 1
8 1877 1 1 14 LEU H H -3.354 -0.561 0.700 1.00 . A A . 14 LEU H 1 1
8 1878 1 1 14 LEU HA H -3.127 -3.202 1.749 1.00 . A A . 14 LEU HA 1 1
8 1879 1 1 14 LEU HB2 H -5.361 -2.589 2.613 1.00 . A A . 14 LEU HB2 1 1
8 1880 1 1 14 LEU HB3 H -5.871 -2.168 0.988 1.00 . A A . 14 LEU HB3 1 1
8 1881 1 1 14 LEU HD11 H -5.743 -5.638 2.987 1.00 . A A . 14 LEU HD11 1 1
8 1882 1 1 14 LEU HD12 H -4.264 -4.687 2.849 1.00 . A A . 14 LEU HD12 1 1
8 1883 1 1 14 LEU HD13 H -4.566 -6.018 1.730 1.00 . A A . 14 LEU HD13 1 1
8 1884 1 1 14 LEU HD21 H -7.716 -4.211 0.565 1.00 . A A . 14 LEU HD21 1 1
8 1885 1 1 14 LEU HD22 H -7.565 -3.575 2.201 1.00 . A A . 14 LEU HD22 1 1
8 1886 1 1 14 LEU HD23 H -7.499 -5.315 1.923 1.00 . A A . 14 LEU HD23 1 1
8 1887 1 1 14 LEU HG H -5.491 -4.565 0.340 1.00 . A A . 14 LEU HG 1 1
8 1888 1 1 14 LEU N N -3.435 -1.174 1.452 1.00 . A A . 14 LEU N 1 1
8 1889 1 1 14 LEU O O -3.353 -3.935 -0.762 1.00 . A A . 14 LEU O 1 1
8 1890 1 1 15 ABA C C -4.973 -1.201 -3.021 1.00 . A A . 15 ABA C 1 1
8 1891 1 1 15 ABA CA C -3.656 -1.724 -2.498 1.00 . A A . 15 ABA CA 1 1
8 1892 1 1 15 ABA CB C -2.539 -0.784 -2.993 1.00 . A A . 15 ABA CB 1 1
8 1893 1 1 15 ABA CG C -1.508 -1.514 -3.841 1.00 . A A . 15 ABA CG 1 1
8 1894 1 1 15 ABA H H -3.949 -0.895 -0.602 1.00 . A A . 15 ABA H 1 1
8 1895 1 1 15 ABA HA H -3.478 -2.727 -2.858 1.00 . A A . 15 ABA HA 1 1
8 1896 1 1 15 ABA HB3 H -2.053 -0.345 -2.142 1.00 . A A . 15 ABA HB3 1 1
8 1897 1 1 15 ABA HG1 H -1.948 -1.785 -4.790 1.00 . A A . 15 ABA HG1 1 1
8 1898 1 1 15 ABA HG2 H -1.187 -2.407 -3.325 1.00 . A A . 15 ABA HG2 1 1
8 1899 1 1 15 ABA HG3 H -0.657 -0.869 -4.009 1.00 . A A . 15 ABA HG3 1 1
8 1900 1 1 15 ABA N N -3.722 -1.727 -1.050 1.00 . A A . 15 ABA N 1 1
8 1901 1 1 15 ABA O O -5.846 -1.952 -3.453 1.00 . A A . 15 ABA O 1 1
8 1902 1 1 16 DHA C C -7.290 0.946 -2.285 1.00 . A A . 16 DHA C 1 1
8 1903 1 1 16 DHA CA C -6.269 0.718 -3.236 1.00 . A A . 16 DHA CA 1 1
8 1904 1 1 16 DHA CB C -6.402 1.137 -4.492 1.00 . A A . 16 DHA CB 1 1
8 1905 1 1 16 DHA H H -4.363 0.581 -2.477 1.00 . A A . 16 DHA H 1 1
8 1906 1 1 16 DHA HB1 H -5.610 0.960 -5.204 1.00 . A A . 16 DHA HB1 1 1
8 1907 1 1 16 DHA HB2 H -7.266 1.690 -4.781 1.00 . A A . 16 DHA HB2 1 1
8 1908 1 1 16 DHA N N -5.123 0.102 -2.867 1.00 . A A . 16 DHA N 1 1
8 1909 1 1 16 DHA O O -8.366 1.443 -2.606 1.00 . A A . 16 DHA O 1 1
8 1910 1 1 17 GLU C C -7.274 2.085 0.931 1.00 . A A . 17 GLU C 1 1
8 1911 1 1 17 GLU CA C -7.840 0.941 0.093 1.00 . A A . 17 GLU CA 1 1
8 1912 1 1 17 GLU CB C -7.990 -0.320 0.950 1.00 . A A . 17 GLU CB 1 1
8 1913 1 1 17 GLU CD C -9.232 -1.492 2.817 1.00 . A A . 17 GLU CD 1 1
8 1914 1 1 17 GLU CG C -9.140 -0.256 1.945 1.00 . A A . 17 GLU CG 1 1
8 1915 1 1 17 GLU H H -6.060 0.337 -0.848 1.00 . A A . 17 GLU H 1 1
8 1916 1 1 17 GLU HA H -8.805 1.229 -0.300 1.00 . A A . 17 GLU HA 1 1
8 1917 1 1 17 GLU HB2 H -8.154 -1.166 0.299 1.00 . A A . 17 GLU HB2 1 1
8 1918 1 1 17 GLU HB3 H -7.073 -0.474 1.500 1.00 . A A . 17 GLU HB3 1 1
8 1919 1 1 17 GLU HG2 H -9.002 0.606 2.582 1.00 . A A . 17 GLU HG2 1 1
8 1920 1 1 17 GLU HG3 H -10.065 -0.151 1.397 1.00 . A A . 17 GLU HG3 1 1
8 1921 1 1 17 GLU N N -6.949 0.684 -1.028 1.00 . A A . 17 GLU N 1 1
8 1922 1 1 17 GLU O O -7.982 2.716 1.712 1.00 . A A . 17 GLU O 1 1
8 1923 1 1 17 GLU OE1 O -8.341 -1.694 3.669 1.00 . A A . 17 GLU OE1 1 1
8 1924 1 1 17 GLU OE2 O -10.188 -2.276 2.638 1.00 . A A . 17 GLU OE2 1 1
8 1925 1 1 18 CYS C C -4.930 4.545 0.310 1.00 . A A . 18 CYS C 1 1
8 1926 1 1 18 CYS CA C -5.347 3.519 1.344 1.00 . A A . 18 CYS CA 1 1
8 1927 1 1 18 CYS CB C -4.110 3.052 2.099 1.00 . A A . 18 CYS CB 1 1
8 1928 1 1 18 CYS H H -5.534 1.926 -0.022 1.00 . A A . 18 CYS H 1 1
8 1929 1 1 18 CYS HA H -6.046 3.967 2.035 1.00 . A A . 18 CYS HA 1 1
8 1930 1 1 18 CYS HB2 H -3.374 2.736 1.373 1.00 . A A . 18 CYS HB2 1 1
8 1931 1 1 18 CYS HB3 H -3.710 3.885 2.653 1.00 . A A . 18 CYS HB3 1 1
8 1932 1 1 18 CYS N N -6.007 2.400 0.686 1.00 . A A . 18 CYS N 1 1
8 1933 1 1 18 CYS O O -5.634 5.528 0.071 1.00 . A A . 18 CYS O 1 1
8 1934 1 1 18 CYS SG S -4.431 1.695 3.256 1.00 . A A . 18 CYS SG 1 1
8 1935 1 1 19 ILE C C -3.515 4.723 -2.727 1.00 . A A . 19 ILE C 1 1
8 1936 1 1 19 ILE CA C -3.279 5.240 -1.301 1.00 . A A . 19 ILE CA 1 1
8 1937 1 1 19 ILE CB C -1.780 5.547 -1.106 1.00 . A A . 19 ILE CB 1 1
8 1938 1 1 19 ILE CD1 C -2.254 7.254 0.738 1.00 . A A . 19 ILE CD1 1 1
8 1939 1 1 19 ILE CG1 C -1.505 5.999 0.335 1.00 . A A . 19 ILE CG1 1 1
8 1940 1 1 19 ILE CG2 C -1.330 6.621 -2.091 1.00 . A A . 19 ILE CG2 1 1
8 1941 1 1 19 ILE H H -3.245 3.533 -0.060 1.00 . A A . 19 ILE H 1 1
8 1942 1 1 19 ILE HA H -3.823 6.152 -1.167 1.00 . A A . 19 ILE HA 1 1
8 1943 1 1 19 ILE HB H -1.220 4.647 -1.309 1.00 . A A . 19 ILE HB 1 1
8 1944 1 1 19 ILE HD11 H -2.241 7.961 -0.079 1.00 . A A . 19 ILE HD11 1 1
8 1945 1 1 19 ILE HD12 H -1.778 7.694 1.602 1.00 . A A . 19 ILE HD12 1 1
8 1946 1 1 19 ILE HD13 H -3.276 7.003 0.978 1.00 . A A . 19 ILE HD13 1 1
8 1947 1 1 19 ILE HG12 H -1.796 5.209 1.014 1.00 . A A . 19 ILE HG12 1 1
8 1948 1 1 19 ILE HG13 H -0.450 6.191 0.447 1.00 . A A . 19 ILE HG13 1 1
8 1949 1 1 19 ILE HG21 H -0.270 6.793 -1.977 1.00 . A A . 19 ILE HG21 1 1
8 1950 1 1 19 ILE HG22 H -1.867 7.537 -1.894 1.00 . A A . 19 ILE HG22 1 1
8 1951 1 1 19 ILE HG23 H -1.536 6.292 -3.099 1.00 . A A . 19 ILE HG23 1 1
8 1952 1 1 19 ILE N N -3.779 4.313 -0.308 1.00 . A A . 19 ILE N 1 1
8 1953 1 1 19 ILE O O -4.076 5.431 -3.568 1.00 . A A . 19 ILE O 1 1
8 1954 1 1 20 TEE CA C -3.280 2.966 -4.254 1.00 . A A . 20 TEE CA 1 1
8 1955 1 1 20 TEE CB C -2.990 1.609 -4.515 1.00 . A A . 20 TEE CB 1 1
8 1956 1 1 20 TEE HA H -4.305 2.637 -4.398 1.00 . A A . 20 TEE HA 1 1
8 1957 1 1 20 TEE HB2 H -2.066 1.176 -4.163 1.00 . A A . 20 TEE HB2 1 1
8 1958 1 1 20 TEE HN1 H -2.644 3.005 -2.270 1.00 . A A . 20 TEE HN1 1 1
8 1959 1 1 20 TEE N N -3.095 3.487 -2.992 1.00 . A A . 20 TEE N 1 1
8 1960 1 1 20 TEE SG S -2.240 0.999 -2.994 1.00 . A A . 20 TEE SG 1 1
9 1961 1 1 1 CYS C C 8.829 6.214 1.147 1.00 . A A . 1 CYS C 1 1
9 1962 1 1 1 CYS CA C 9.748 7.146 0.343 1.00 . A A . 1 CYS CA 1 1
9 1963 1 1 1 CYS CB C 10.268 6.489 -0.936 1.00 . A A . 1 CYS CB 1 1
9 1964 1 1 1 CYS H1 H 11.021 8.528 1.225 1.00 . A A . 1 CYS H1 1 1
9 1965 1 1 1 CYS H2 H 11.790 7.097 0.751 1.00 . A A . 1 CYS H2 1 1
9 1966 1 1 1 CYS H3 H 10.806 7.111 2.134 1.00 . A A . 1 CYS H3 1 1
9 1967 1 1 1 CYS HA H 9.212 8.052 0.097 1.00 . A A . 1 CYS HA 1 1
9 1968 1 1 1 CYS HB2 H 11.235 6.908 -1.171 1.00 . A A . 1 CYS HB2 1 1
9 1969 1 1 1 CYS HB3 H 10.377 5.428 -0.763 1.00 . A A . 1 CYS HB3 1 1
9 1970 1 1 1 CYS N N 10.921 7.494 1.169 1.00 . A A . 1 CYS N 1 1
9 1971 1 1 1 CYS O O 8.803 6.318 2.371 1.00 . A A . 1 CYS O 1 1
9 1972 1 1 1 CYS SG S 9.191 6.717 -2.365 1.00 . A A . 1 CYS SG 1 1
9 1973 1 1 2 ABA C C 7.143 3.962 -1.308 1.00 . A A . 2 ABA C 1 1
9 1974 1 1 2 ABA CA C 8.065 5.117 -0.937 1.00 . A A . 2 ABA CA 1 1
9 1975 1 1 2 ABA CB C 7.572 6.400 -1.634 1.00 . A A . 2 ABA CB 1 1
9 1976 1 1 2 ABA CG C 7.557 6.221 -3.146 1.00 . A A . 2 ABA CG 1 1
9 1977 1 1 2 ABA H H 7.544 4.685 1.058 1.00 . A A . 2 ABA H 1 1
9 1978 1 1 2 ABA HA H 9.063 4.899 -1.282 1.00 . A A . 2 ABA HA 1 1
9 1979 1 1 2 ABA HB3 H 6.556 6.589 -1.309 1.00 . A A . 2 ABA HB3 1 1
9 1980 1 1 2 ABA HG1 H 8.237 5.428 -3.421 1.00 . A A . 2 ABA HG1 1 1
9 1981 1 1 2 ABA HG2 H 7.867 7.141 -3.621 1.00 . A A . 2 ABA HG2 1 1
9 1982 1 1 2 ABA HG3 H 6.559 5.968 -3.468 1.00 . A A . 2 ABA HG3 1 1
9 1983 1 1 2 ABA N N 8.101 5.285 0.511 1.00 . A A . 2 ABA N 1 1
9 1984 1 1 2 ABA O O 7.489 3.104 -2.125 1.00 . A A . 2 ABA O 1 1
9 1985 1 1 3 PHE C C 4.279 3.015 -2.184 1.00 . A A . 3 PHE C 1 1
9 1986 1 1 3 PHE CA C 5.033 2.838 -0.865 1.00 . A A . 3 PHE CA 1 1
9 1987 1 1 3 PHE CB C 4.046 2.745 0.313 1.00 . A A . 3 PHE CB 1 1
9 1988 1 1 3 PHE CD1 C 3.160 5.058 -0.084 1.00 . A A . 3 PHE CD1 1 1
9 1989 1 1 3 PHE CD2 C 3.413 4.330 2.173 1.00 . A A . 3 PHE CD2 1 1
9 1990 1 1 3 PHE CE1 C 2.689 6.278 0.361 1.00 . A A . 3 PHE CE1 1 1
9 1991 1 1 3 PHE CE2 C 2.942 5.547 2.623 1.00 . A A . 3 PHE CE2 1 1
9 1992 1 1 3 PHE CG C 3.530 4.069 0.814 1.00 . A A . 3 PHE CG 1 1
9 1993 1 1 3 PHE CZ C 2.576 6.503 1.762 1.00 . A A . 3 PHE CZ 1 1
9 1994 1 1 3 PHE H H 5.799 4.593 0.026 1.00 . A A . 3 PHE H 1 1
9 1995 1 1 3 PHE HA H 5.588 1.912 -0.916 1.00 . A A . 3 PHE HA 1 1
9 1996 1 1 3 PHE HB2 H 3.194 2.157 0.005 1.00 . A A . 3 PHE HB2 1 1
9 1997 1 1 3 PHE HB3 H 4.534 2.247 1.138 1.00 . A A . 3 PHE HB3 1 1
9 1998 1 1 3 PHE HD1 H 3.243 4.869 -1.144 1.00 . A A . 3 PHE HD1 1 1
9 1999 1 1 3 PHE HD2 H 3.698 3.567 2.884 1.00 . A A . 3 PHE HD2 1 1
9 2000 1 1 3 PHE HE1 H 2.405 7.040 -0.352 1.00 . A A . 3 PHE HE1 1 1
9 2001 1 1 3 PHE HE2 H 2.850 5.731 3.683 1.00 . A A . 3 PHE HE2 1 1
9 2002 1 1 3 PHE HZ H 2.206 7.449 2.131 1.00 . A A . 3 PHE HZ 1 1
9 2003 1 1 3 PHE N N 5.995 3.908 -0.645 1.00 . A A . 3 PHE N 1 1
9 2004 1 1 3 PHE O O 4.614 3.875 -3.005 1.00 . A A . 3 PHE O 1 1
9 2005 1 1 4 ABA C C 2.368 0.798 -4.159 1.00 . A A . 4 ABA C 1 1
9 2006 1 1 4 ABA CA C 2.455 2.205 -3.579 1.00 . A A . 4 ABA CA 1 1
9 2007 1 1 4 ABA CB C 1.041 2.754 -3.290 1.00 . A A . 4 ABA CB 1 1
9 2008 1 1 4 ABA CG C 0.942 4.207 -3.720 1.00 . A A . 4 ABA CG 1 1
9 2009 1 1 4 ABA H H 3.066 1.527 -1.686 1.00 . A A . 4 ABA H 1 1
9 2010 1 1 4 ABA HA H 2.933 2.848 -4.296 1.00 . A A . 4 ABA HA 1 1
9 2011 1 1 4 ABA HB3 H 0.872 2.707 -2.225 1.00 . A A . 4 ABA HB3 1 1
9 2012 1 1 4 ABA HG1 H -0.095 4.473 -3.859 1.00 . A A . 4 ABA HG1 1 1
9 2013 1 1 4 ABA HG2 H 1.477 4.345 -4.647 1.00 . A A . 4 ABA HG2 1 1
9 2014 1 1 4 ABA HG3 H 1.375 4.836 -2.955 1.00 . A A . 4 ABA HG3 1 1
9 2015 1 1 4 ABA N N 3.264 2.189 -2.373 1.00 . A A . 4 ABA N 1 1
9 2016 1 1 4 ABA O O 1.452 0.036 -3.843 1.00 . A A . 4 ABA O 1 1
9 2017 1 1 5 LEU C C 4.808 -1.593 -4.712 1.00 . A A . 5 LEU C 1 1
9 2018 1 1 5 LEU CA C 3.557 -0.972 -5.322 1.00 . A A . 5 LEU CA 1 1
9 2019 1 1 5 LEU CB C 3.629 -1.030 -6.851 1.00 . A A . 5 LEU CB 1 1
9 2020 1 1 5 LEU CD1 C 2.577 -0.658 -9.098 1.00 . A A . 5 LEU CD1 1 1
9 2021 1 1 5 LEU CD2 C 1.183 -1.472 -7.189 1.00 . A A . 5 LEU CD2 1 1
9 2022 1 1 5 LEU CG C 2.360 -0.598 -7.592 1.00 . A A . 5 LEU CG 1 1
9 2023 1 1 5 LEU H H 4.188 1.013 -4.953 1.00 . A A . 5 LEU H 1 1
9 2024 1 1 5 LEU HA H 2.693 -1.525 -4.983 1.00 . A A . 5 LEU HA 1 1
9 2025 1 1 5 LEU HB2 H 4.441 -0.395 -7.174 1.00 . A A . 5 LEU HB2 1 1
9 2026 1 1 5 LEU HB3 H 3.856 -2.046 -7.138 1.00 . A A . 5 LEU HB3 1 1
9 2027 1 1 5 LEU HD11 H 3.105 0.228 -9.421 1.00 . A A . 5 LEU HD11 1 1
9 2028 1 1 5 LEU HD12 H 1.620 -0.708 -9.597 1.00 . A A . 5 LEU HD12 1 1
9 2029 1 1 5 LEU HD13 H 3.159 -1.533 -9.345 1.00 . A A . 5 LEU HD13 1 1
9 2030 1 1 5 LEU HD21 H 1.502 -2.500 -7.134 1.00 . A A . 5 LEU HD21 1 1
9 2031 1 1 5 LEU HD22 H 0.395 -1.377 -7.923 1.00 . A A . 5 LEU HD22 1 1
9 2032 1 1 5 LEU HD23 H 0.814 -1.157 -6.223 1.00 . A A . 5 LEU HD23 1 1
9 2033 1 1 5 LEU HG H 2.124 0.423 -7.327 1.00 . A A . 5 LEU HG 1 1
9 2034 1 1 5 LEU N N 3.421 0.400 -4.855 1.00 . A A . 5 LEU N 1 1
9 2035 1 1 5 LEU O O 5.918 -1.389 -5.206 1.00 . A A . 5 LEU O 1 1
9 2036 1 1 6 PRO C C 5.978 -4.297 -3.096 1.00 . A A . 6 PRO C 1 1
9 2037 1 1 6 PRO CA C 5.785 -2.810 -2.821 1.00 . A A . 6 PRO CA 1 1
9 2038 1 1 6 PRO CB C 5.357 -2.578 -1.372 1.00 . A A . 6 PRO CB 1 1
9 2039 1 1 6 PRO CD C 3.410 -2.434 -2.818 1.00 . A A . 6 PRO CD 1 1
9 2040 1 1 6 PRO CG C 3.859 -2.635 -1.387 1.00 . A A . 6 PRO CG 1 1
9 2041 1 1 6 PRO HA H 6.704 -2.279 -3.021 1.00 . A A . 6 PRO HA 1 1
9 2042 1 1 6 PRO HB2 H 5.776 -3.351 -0.742 1.00 . A A . 6 PRO HB2 1 1
9 2043 1 1 6 PRO HB3 H 5.709 -1.613 -1.043 1.00 . A A . 6 PRO HB3 1 1
9 2044 1 1 6 PRO HD2 H 2.881 -3.306 -3.170 1.00 . A A . 6 PRO HD2 1 1
9 2045 1 1 6 PRO HD3 H 2.787 -1.554 -2.897 1.00 . A A . 6 PRO HD3 1 1
9 2046 1 1 6 PRO HG2 H 3.532 -3.599 -1.031 1.00 . A A . 6 PRO HG2 1 1
9 2047 1 1 6 PRO HG3 H 3.461 -1.853 -0.758 1.00 . A A . 6 PRO HG3 1 1
9 2048 1 1 6 PRO N N 4.665 -2.252 -3.557 1.00 . A A . 6 PRO N 1 1
9 2049 1 1 6 PRO O O 5.527 -4.816 -4.118 1.00 . A A . 6 PRO O 1 1
9 2050 1 1 7 GLY C C 7.632 -6.944 -1.119 1.00 . A A . 7 GLY C 1 1
9 2051 1 1 7 GLY CA C 6.903 -6.390 -2.323 1.00 . A A . 7 GLY CA 1 1
9 2052 1 1 7 GLY H H 7.012 -4.495 -1.401 1.00 . A A . 7 GLY H 1 1
9 2053 1 1 7 GLY HA2 H 5.960 -6.906 -2.435 1.00 . A A . 7 GLY HA2 1 1
9 2054 1 1 7 GLY HA3 H 7.504 -6.557 -3.207 1.00 . A A . 7 GLY HA3 1 1
9 2055 1 1 7 GLY N N 6.653 -4.972 -2.181 1.00 . A A . 7 GLY N 1 1
9 2056 1 1 7 GLY O O 8.592 -7.704 -1.257 1.00 . A A . 7 GLY O 1 1
9 2057 1 1 8 GLY C C 6.888 -7.550 2.259 1.00 . A A . 8 GLY C 1 1
9 2058 1 1 8 GLY CA C 7.862 -6.943 1.278 1.00 . A A . 8 GLY CA 1 1
9 2059 1 1 8 GLY H H 6.445 -5.902 0.106 1.00 . A A . 8 GLY H 1 1
9 2060 1 1 8 GLY HA2 H 8.616 -7.679 1.032 1.00 . A A . 8 GLY HA2 1 1
9 2061 1 1 8 GLY HA3 H 8.342 -6.093 1.738 1.00 . A A . 8 GLY HA3 1 1
9 2062 1 1 8 GLY N N 7.215 -6.511 0.061 1.00 . A A . 8 GLY N 1 1
9 2063 1 1 8 GLY O O 6.398 -8.659 2.047 1.00 . A A . 8 GLY O 1 1
9 2064 1 1 9 GLY C C 4.433 -6.417 4.439 1.00 . A A . 9 GLY C 1 1
9 2065 1 1 9 GLY CA C 5.652 -7.301 4.315 1.00 . A A . 9 GLY CA 1 1
9 2066 1 1 9 GLY H H 6.987 -5.922 3.417 1.00 . A A . 9 GLY H 1 1
9 2067 1 1 9 GLY HA2 H 5.337 -8.299 4.044 1.00 . A A . 9 GLY HA2 1 1
9 2068 1 1 9 GLY HA3 H 6.155 -7.339 5.270 1.00 . A A . 9 GLY HA3 1 1
9 2069 1 1 9 GLY N N 6.582 -6.814 3.316 1.00 . A A . 9 GLY N 1 1
9 2070 1 1 9 GLY O O 3.331 -6.898 4.705 1.00 . A A . 9 GLY O 1 1
9 2071 1 1 10 GLY C C 3.155 -3.678 2.891 1.00 . A A . 10 GLY C 1 1
9 2072 1 1 10 GLY CA C 3.523 -4.195 4.262 1.00 . A A . 10 GLY CA 1 1
9 2073 1 1 10 GLY H H 5.518 -4.813 3.954 1.00 . A A . 10 GLY H 1 1
9 2074 1 1 10 GLY HA2 H 2.665 -4.688 4.697 1.00 . A A . 10 GLY HA2 1 1
9 2075 1 1 10 GLY HA3 H 3.806 -3.362 4.886 1.00 . A A . 10 GLY HA3 1 1
9 2076 1 1 10 GLY N N 4.620 -5.131 4.201 1.00 . A A . 10 GLY N 1 1
9 2077 1 1 10 GLY O O 3.991 -3.651 1.985 1.00 . A A . 10 GLY O 1 1
9 2078 1 1 11 VAL C C 1.024 -1.335 1.556 1.00 . A A . 11 VAL C 1 1
9 2079 1 1 11 VAL CA C 1.431 -2.801 1.441 1.00 . A A . 11 VAL CA 1 1
9 2080 1 1 11 VAL CB C 0.237 -3.631 0.903 1.00 . A A . 11 VAL CB 1 1
9 2081 1 1 11 VAL CG1 C 0.042 -3.403 -0.594 1.00 . A A . 11 VAL CG1 1 1
9 2082 1 1 11 VAL CG2 C 0.433 -5.112 1.193 1.00 . A A . 11 VAL CG2 1 1
9 2083 1 1 11 VAL H H 1.276 -3.338 3.483 1.00 . A A . 11 VAL H 1 1
9 2084 1 1 11 VAL HA H 2.246 -2.881 0.735 1.00 . A A . 11 VAL HA 1 1
9 2085 1 1 11 VAL HB H -0.661 -3.303 1.411 1.00 . A A . 11 VAL HB 1 1
9 2086 1 1 11 VAL HG11 H -0.156 -4.346 -1.080 1.00 . A A . 11 VAL HG11 1 1
9 2087 1 1 11 VAL HG12 H 0.937 -2.961 -1.013 1.00 . A A . 11 VAL HG12 1 1
9 2088 1 1 11 VAL HG13 H -0.793 -2.735 -0.749 1.00 . A A . 11 VAL HG13 1 1
9 2089 1 1 11 VAL HG21 H -0.327 -5.447 1.882 1.00 . A A . 11 VAL HG21 1 1
9 2090 1 1 11 VAL HG22 H 1.409 -5.269 1.627 1.00 . A A . 11 VAL HG22 1 1
9 2091 1 1 11 VAL HG23 H 0.355 -5.672 0.273 1.00 . A A . 11 VAL HG23 1 1
9 2092 1 1 11 VAL N N 1.903 -3.291 2.723 1.00 . A A . 11 VAL N 1 1
9 2093 1 1 11 VAL O O 0.928 -0.790 2.658 1.00 . A A . 11 VAL O 1 1
9 2094 1 1 12 CYS C C -0.957 0.916 0.788 1.00 . A A . 12 CYS C 1 1
9 2095 1 1 12 CYS CA C 0.479 0.697 0.311 1.00 . A A . 12 CYS CA 1 1
9 2096 1 1 12 CYS CB C 0.626 1.065 -1.146 1.00 . A A . 12 CYS CB 1 1
9 2097 1 1 12 CYS H H 0.971 -1.198 -0.426 1.00 . A A . 12 CYS H 1 1
9 2098 1 1 12 CYS HA H 1.154 1.280 0.894 1.00 . A A . 12 CYS HA 1 1
9 2099 1 1 12 CYS HB2 H 1.568 0.682 -1.497 1.00 . A A . 12 CYS HB2 1 1
9 2100 1 1 12 CYS HB3 H -0.154 0.565 -1.673 1.00 . A A . 12 CYS HB3 1 1
9 2101 1 1 12 CYS N N 0.847 -0.699 0.409 1.00 . A A . 12 CYS N 1 1
9 2102 1 1 12 CYS O O -1.890 0.974 -0.017 1.00 . A A . 12 CYS O 1 1
9 2103 1 1 12 CYS SG S 0.555 2.817 -1.545 1.00 . A A . 12 CYS SG 1 1
9 2104 1 1 13 ABA C C -2.989 -0.667 2.614 1.00 . A A . 13 ABA C 1 1
9 2105 1 1 13 ABA CA C -2.509 0.770 2.610 1.00 . A A . 13 ABA CA 1 1
9 2106 1 1 13 ABA CB C -2.643 1.392 4.020 1.00 . A A . 13 ABA CB 1 1
9 2107 1 1 13 ABA CG C -1.497 2.351 4.308 1.00 . A A . 13 ABA CG 1 1
9 2108 1 1 13 ABA H H -0.416 0.550 2.672 1.00 . A A . 13 ABA H 1 1
9 2109 1 1 13 ABA HA H -3.131 1.334 1.932 1.00 . A A . 13 ABA HA 1 1
9 2110 1 1 13 ABA HB3 H -2.608 0.594 4.748 1.00 . A A . 13 ABA HB3 1 1
9 2111 1 1 13 ABA HG1 H -1.084 2.705 3.375 1.00 . A A . 13 ABA HG1 1 1
9 2112 1 1 13 ABA HG2 H -0.729 1.837 4.868 1.00 . A A . 13 ABA HG2 1 1
9 2113 1 1 13 ABA HG3 H -1.863 3.188 4.883 1.00 . A A . 13 ABA HG3 1 1
9 2114 1 1 13 ABA N N -1.163 0.802 2.088 1.00 . A A . 13 ABA N 1 1
9 2115 1 1 13 ABA O O -2.770 -1.421 3.555 1.00 . A A . 13 ABA O 1 1
9 2116 1 1 14 LEU C C -3.538 -2.683 -0.353 1.00 . A A . 14 LEU C 1 1
9 2117 1 1 14 LEU CA C -3.755 -2.446 1.139 1.00 . A A . 14 LEU CA 1 1
9 2118 1 1 14 LEU CB C -5.209 -2.739 1.531 1.00 . A A . 14 LEU CB 1 1
9 2119 1 1 14 LEU CD1 C -4.862 -5.135 2.210 1.00 . A A . 14 LEU CD1 1 1
9 2120 1 1 14 LEU CD2 C -7.152 -4.316 1.662 1.00 . A A . 14 LEU CD2 1 1
9 2121 1 1 14 LEU CG C -5.672 -4.187 1.343 1.00 . A A . 14 LEU CG 1 1
9 2122 1 1 14 LEU H H -3.346 -0.440 0.696 1.00 . A A . 14 LEU H 1 1
9 2123 1 1 14 LEU HA H -3.089 -3.084 1.702 1.00 . A A . 14 LEU HA 1 1
9 2124 1 1 14 LEU HB2 H -5.338 -2.475 2.568 1.00 . A A . 14 LEU HB2 1 1
9 2125 1 1 14 LEU HB3 H -5.847 -2.104 0.936 1.00 . A A . 14 LEU HB3 1 1
9 2126 1 1 14 LEU HD11 H -3.820 -5.067 1.938 1.00 . A A . 14 LEU HD11 1 1
9 2127 1 1 14 LEU HD12 H -5.208 -6.145 2.058 1.00 . A A . 14 LEU HD12 1 1
9 2128 1 1 14 LEU HD13 H -4.981 -4.865 3.250 1.00 . A A . 14 LEU HD13 1 1
9 2129 1 1 14 LEU HD21 H -7.699 -4.508 0.751 1.00 . A A . 14 LEU HD21 1 1
9 2130 1 1 14 LEU HD22 H -7.508 -3.398 2.108 1.00 . A A . 14 LEU HD22 1 1
9 2131 1 1 14 LEU HD23 H -7.302 -5.134 2.351 1.00 . A A . 14 LEU HD23 1 1
9 2132 1 1 14 LEU HG H -5.529 -4.473 0.312 1.00 . A A . 14 LEU HG 1 1
9 2133 1 1 14 LEU N N -3.420 -1.067 1.436 1.00 . A A . 14 LEU N 1 1
9 2134 1 1 14 LEU O O -3.334 -3.806 -0.806 1.00 . A A . 14 LEU O 1 1
9 2135 1 1 15 ABA C C -4.780 -1.053 -3.158 1.00 . A A . 15 ABA C 1 1
9 2136 1 1 15 ABA CA C -3.506 -1.630 -2.560 1.00 . A A . 15 ABA CA 1 1
9 2137 1 1 15 ABA CB C -2.285 -0.813 -3.050 1.00 . A A . 15 ABA CB 1 1
9 2138 1 1 15 ABA CG C -1.729 -1.389 -4.342 1.00 . A A . 15 ABA CG 1 1
9 2139 1 1 15 ABA H H -3.802 -0.739 -0.681 1.00 . A A . 15 ABA H 1 1
9 2140 1 1 15 ABA HA H -3.390 -2.659 -2.872 1.00 . A A . 15 ABA HA 1 1
9 2141 1 1 15 ABA HB3 H -2.603 0.201 -3.240 1.00 . A A . 15 ABA HB3 1 1
9 2142 1 1 15 ABA HG1 H -0.798 -0.898 -4.582 1.00 . A A . 15 ABA HG1 1 1
9 2143 1 1 15 ABA HG2 H -2.438 -1.229 -5.141 1.00 . A A . 15 ABA HG2 1 1
9 2144 1 1 15 ABA HG3 H -1.555 -2.447 -4.220 1.00 . A A . 15 ABA HG3 1 1
9 2145 1 1 15 ABA N N -3.614 -1.592 -1.110 1.00 . A A . 15 ABA N 1 1
9 2146 1 1 15 ABA O O -5.512 -1.728 -3.880 1.00 . A A . 15 ABA O 1 1
9 2147 1 1 16 DHA C C -7.177 1.199 -2.209 1.00 . A A . 16 DHA C 1 1
9 2148 1 1 16 DHA CA C -6.223 0.799 -3.166 1.00 . A A . 16 DHA CA 1 1
9 2149 1 1 16 DHA CB C -6.426 1.048 -4.469 1.00 . A A . 16 DHA CB 1 1
9 2150 1 1 16 DHA H H -4.429 0.607 -2.154 1.00 . A A . 16 DHA H 1 1
9 2151 1 1 16 DHA HB1 H -5.690 0.747 -5.199 1.00 . A A . 16 DHA HB1 1 1
9 2152 1 1 16 DHA HB2 H -7.307 1.583 -4.784 1.00 . A A . 16 DHA HB2 1 1
9 2153 1 1 16 DHA N N -5.074 0.179 -2.756 1.00 . A A . 16 DHA N 1 1
9 2154 1 1 16 DHA O O -7.995 2.084 -2.457 1.00 . A A . 16 DHA O 1 1
9 2155 1 1 17 GLU C C -7.397 2.174 0.811 1.00 . A A . 17 GLU C 1 1
9 2156 1 1 17 GLU CA C -7.964 0.965 0.081 1.00 . A A . 17 GLU CA 1 1
9 2157 1 1 17 GLU CB C -8.103 -0.232 1.033 1.00 . A A . 17 GLU CB 1 1
9 2158 1 1 17 GLU CD C -9.155 0.914 3.048 1.00 . A A . 17 GLU CD 1 1
9 2159 1 1 17 GLU CG C -9.293 -0.159 1.986 1.00 . A A . 17 GLU CG 1 1
9 2160 1 1 17 GLU H H -6.392 -0.066 -0.883 1.00 . A A . 17 GLU H 1 1
9 2161 1 1 17 GLU HA H -8.930 1.216 -0.329 1.00 . A A . 17 GLU HA 1 1
9 2162 1 1 17 GLU HB2 H -8.206 -1.132 0.444 1.00 . A A . 17 GLU HB2 1 1
9 2163 1 1 17 GLU HB3 H -7.203 -0.307 1.627 1.00 . A A . 17 GLU HB3 1 1
9 2164 1 1 17 GLU HG2 H -10.184 0.046 1.411 1.00 . A A . 17 GLU HG2 1 1
9 2165 1 1 17 GLU HG3 H -9.399 -1.115 2.476 1.00 . A A . 17 GLU HG3 1 1
9 2166 1 1 17 GLU N N -7.074 0.620 -1.018 1.00 . A A . 17 GLU N 1 1
9 2167 1 1 17 GLU O O -8.114 3.137 1.074 1.00 . A A . 17 GLU O 1 1
9 2168 1 1 17 GLU OE1 O -8.199 0.844 3.846 1.00 . A A . 17 GLU OE1 1 1
9 2169 1 1 17 GLU OE2 O -9.999 1.833 3.087 1.00 . A A . 17 GLU OE2 1 1
9 2170 1 1 18 CYS C C -5.048 4.320 0.343 1.00 . A A . 18 CYS C 1 1
9 2171 1 1 18 CYS CA C -5.390 3.367 1.474 1.00 . A A . 18 CYS CA 1 1
9 2172 1 1 18 CYS CB C -4.101 2.961 2.184 1.00 . A A . 18 CYS CB 1 1
9 2173 1 1 18 CYS H H -5.552 1.464 0.584 1.00 . A A . 18 CYS H 1 1
9 2174 1 1 18 CYS HA H -6.049 3.864 2.174 1.00 . A A . 18 CYS HA 1 1
9 2175 1 1 18 CYS HB2 H -3.477 2.431 1.478 1.00 . A A . 18 CYS HB2 1 1
9 2176 1 1 18 CYS HB3 H -3.585 3.860 2.490 1.00 . A A . 18 CYS HB3 1 1
9 2177 1 1 18 CYS N N -6.078 2.200 0.943 1.00 . A A . 18 CYS N 1 1
9 2178 1 1 18 CYS O O -5.909 5.049 -0.150 1.00 . A A . 18 CYS O 1 1
9 2179 1 1 18 CYS SG S -4.338 1.896 3.627 1.00 . A A . 18 CYS SG 1 1
9 2180 1 1 19 ILE C C -3.805 4.499 -2.547 1.00 . A A . 19 ILE C 1 1
9 2181 1 1 19 ILE CA C -3.368 5.102 -1.208 1.00 . A A . 19 ILE CA 1 1
9 2182 1 1 19 ILE CB C -1.836 5.344 -1.214 1.00 . A A . 19 ILE CB 1 1
9 2183 1 1 19 ILE CD1 C -1.065 4.798 1.165 1.00 . A A . 19 ILE CD1 1 1
9 2184 1 1 19 ILE CG1 C -1.347 5.876 0.141 1.00 . A A . 19 ILE CG1 1 1
9 2185 1 1 19 ILE CG2 C -1.468 6.329 -2.317 1.00 . A A . 19 ILE CG2 1 1
9 2186 1 1 19 ILE H H -3.170 3.636 0.292 1.00 . A A . 19 ILE H 1 1
9 2187 1 1 19 ILE HA H -3.856 6.051 -1.077 1.00 . A A . 19 ILE HA 1 1
9 2188 1 1 19 ILE HB H -1.344 4.407 -1.425 1.00 . A A . 19 ILE HB 1 1
9 2189 1 1 19 ILE HD11 H -1.963 4.590 1.727 1.00 . A A . 19 ILE HD11 1 1
9 2190 1 1 19 ILE HD12 H -0.289 5.133 1.837 1.00 . A A . 19 ILE HD12 1 1
9 2191 1 1 19 ILE HD13 H -0.742 3.898 0.660 1.00 . A A . 19 ILE HD13 1 1
9 2192 1 1 19 ILE HG12 H -0.433 6.431 -0.010 1.00 . A A . 19 ILE HG12 1 1
9 2193 1 1 19 ILE HG13 H -2.099 6.534 0.552 1.00 . A A . 19 ILE HG13 1 1
9 2194 1 1 19 ILE HG21 H -1.212 7.282 -1.879 1.00 . A A . 19 ILE HG21 1 1
9 2195 1 1 19 ILE HG22 H -2.309 6.453 -2.983 1.00 . A A . 19 ILE HG22 1 1
9 2196 1 1 19 ILE HG23 H -0.623 5.950 -2.872 1.00 . A A . 19 ILE HG23 1 1
9 2197 1 1 19 ILE N N -3.801 4.261 -0.114 1.00 . A A . 19 ILE N 1 1
9 2198 1 1 19 ILE O O -4.847 4.867 -3.091 1.00 . A A . 19 ILE O 1 1
9 2199 1 1 20 TEE CA C -3.374 2.941 -4.240 1.00 . A A . 20 TEE CA 1 1
9 2200 1 1 20 TEE CB C -3.066 1.584 -4.467 1.00 . A A . 20 TEE CB 1 1
9 2201 1 1 20 TEE HA H -4.393 2.589 -4.364 1.00 . A A . 20 TEE HA 1 1
9 2202 1 1 20 TEE HB2 H -2.319 1.091 -3.862 1.00 . A A . 20 TEE HB2 1 1
9 2203 1 1 20 TEE HN1 H -2.241 3.285 -2.524 1.00 . A A . 20 TEE HN1 1 1
9 2204 1 1 20 TEE N N -3.032 3.536 -3.047 1.00 . A A . 20 TEE N 1 1
9 2205 1 1 20 TEE SG S -2.112 0.991 -3.049 1.00 . A A . 20 TEE SG 1 1
10 2206 1 1 1 CYS C C 10.483 4.766 -2.817 1.00 . A A . 1 CYS C 1 1
10 2207 1 1 1 CYS CA C 10.049 4.164 -1.487 1.00 . A A . 1 CYS CA 1 1
10 2208 1 1 1 CYS CB C 10.299 5.154 -0.349 1.00 . A A . 1 CYS CB 1 1
10 2209 1 1 1 CYS H1 H 10.815 2.322 -2.074 1.00 . A A . 1 CYS H1 1 1
10 2210 1 1 1 CYS H2 H 10.281 2.367 -0.466 1.00 . A A . 1 CYS H2 1 1
10 2211 1 1 1 CYS H3 H 11.743 3.115 -0.895 1.00 . A A . 1 CYS H3 1 1
10 2212 1 1 1 CYS HA H 8.994 3.944 -1.534 1.00 . A A . 1 CYS HA 1 1
10 2213 1 1 1 CYS HB2 H 9.871 4.757 0.561 1.00 . A A . 1 CYS HB2 1 1
10 2214 1 1 1 CYS HB3 H 11.363 5.276 -0.215 1.00 . A A . 1 CYS HB3 1 1
10 2215 1 1 1 CYS N N 10.770 2.907 -1.210 1.00 . A A . 1 CYS N 1 1
10 2216 1 1 1 CYS O O 11.632 4.591 -3.234 1.00 . A A . 1 CYS O 1 1
10 2217 1 1 1 CYS SG S 9.579 6.776 -0.655 1.00 . A A . 1 CYS SG 1 1
10 2218 1 1 2 ABA C C 7.400 4.340 -3.022 1.00 . A A . 2 ABA C 1 1
10 2219 1 1 2 ABA CA C 8.187 5.651 -3.047 1.00 . A A . 2 ABA CA 1 1
10 2220 1 1 2 ABA CB C 8.143 6.310 -1.645 1.00 . A A . 2 ABA CB 1 1
10 2221 1 1 2 ABA CG C 8.517 7.782 -1.732 1.00 . A A . 2 ABA CG 1 1
10 2222 1 1 2 ABA H H 9.823 5.829 -4.380 1.00 . A A . 2 ABA H 1 1
10 2223 1 1 2 ABA HA H 7.707 6.322 -3.746 1.00 . A A . 2 ABA HA 1 1
10 2224 1 1 2 ABA HB3 H 7.133 6.242 -1.269 1.00 . A A . 2 ABA HB3 1 1
10 2225 1 1 2 ABA HG1 H 7.846 8.285 -2.413 1.00 . A A . 2 ABA HG1 1 1
10 2226 1 1 2 ABA HG2 H 9.531 7.875 -2.090 1.00 . A A . 2 ABA HG2 1 1
10 2227 1 1 2 ABA HG3 H 8.439 8.232 -0.753 1.00 . A A . 2 ABA HG3 1 1
10 2228 1 1 2 ABA N N 9.563 5.440 -3.514 1.00 . A A . 2 ABA N 1 1
10 2229 1 1 2 ABA O O 7.678 3.425 -3.797 1.00 . A A . 2 ABA O 1 1
10 2230 1 1 3 PHE C C 4.489 3.065 -3.057 1.00 . A A . 3 PHE C 1 1
10 2231 1 1 3 PHE CA C 5.589 3.073 -1.994 1.00 . A A . 3 PHE CA 1 1
10 2232 1 1 3 PHE CB C 5.005 3.012 -0.574 1.00 . A A . 3 PHE CB 1 1
10 2233 1 1 3 PHE CD1 C 3.375 4.909 -0.838 1.00 . A A . 3 PHE CD1 1 1
10 2234 1 1 3 PHE CD2 C 4.804 4.897 1.067 1.00 . A A . 3 PHE CD2 1 1
10 2235 1 1 3 PHE CE1 C 2.803 6.085 -0.408 1.00 . A A . 3 PHE CE1 1 1
10 2236 1 1 3 PHE CE2 C 4.232 6.073 1.504 1.00 . A A . 3 PHE CE2 1 1
10 2237 1 1 3 PHE CG C 4.381 4.299 -0.107 1.00 . A A . 3 PHE CG 1 1
10 2238 1 1 3 PHE CZ C 3.231 6.670 0.763 1.00 . A A . 3 PHE CZ 1 1
10 2239 1 1 3 PHE H H 6.243 5.031 -1.550 1.00 . A A . 3 PHE H 1 1
10 2240 1 1 3 PHE HA H 6.214 2.209 -2.149 1.00 . A A . 3 PHE HA 1 1
10 2241 1 1 3 PHE HB2 H 4.251 2.245 -0.530 1.00 . A A . 3 PHE HB2 1 1
10 2242 1 1 3 PHE HB3 H 5.798 2.763 0.117 1.00 . A A . 3 PHE HB3 1 1
10 2243 1 1 3 PHE HD1 H 3.039 4.453 -1.755 1.00 . A A . 3 PHE HD1 1 1
10 2244 1 1 3 PHE HD2 H 5.587 4.432 1.647 1.00 . A A . 3 PHE HD2 1 1
10 2245 1 1 3 PHE HE1 H 2.023 6.550 -0.990 1.00 . A A . 3 PHE HE1 1 1
10 2246 1 1 3 PHE HE2 H 4.572 6.530 2.421 1.00 . A A . 3 PHE HE2 1 1
10 2247 1 1 3 PHE HZ H 2.781 7.589 1.101 1.00 . A A . 3 PHE HZ 1 1
10 2248 1 1 3 PHE N N 6.427 4.259 -2.124 1.00 . A A . 3 PHE N 1 1
10 2249 1 1 3 PHE O O 4.610 3.718 -4.093 1.00 . A A . 3 PHE O 1 1
10 2250 1 1 4 ABA C C 2.030 0.840 -4.104 1.00 . A A . 4 ABA C 1 1
10 2251 1 1 4 ABA CA C 2.282 2.291 -3.693 1.00 . A A . 4 ABA CA 1 1
10 2252 1 1 4 ABA CB C 1.028 2.900 -3.019 1.00 . A A . 4 ABA CB 1 1
10 2253 1 1 4 ABA CG C 0.361 3.917 -3.926 1.00 . A A . 4 ABA CG 1 1
10 2254 1 1 4 ABA H H 3.365 1.855 -1.946 1.00 . A A . 4 ABA H 1 1
10 2255 1 1 4 ABA HA H 2.521 2.870 -4.570 1.00 . A A . 4 ABA HA 1 1
10 2256 1 1 4 ABA HB3 H 0.325 2.107 -2.801 1.00 . A A . 4 ABA HB3 1 1
10 2257 1 1 4 ABA HG1 H 0.157 4.817 -3.362 1.00 . A A . 4 ABA HG1 1 1
10 2258 1 1 4 ABA HG2 H -0.564 3.510 -4.303 1.00 . A A . 4 ABA HG2 1 1
10 2259 1 1 4 ABA HG3 H 1.018 4.150 -4.750 1.00 . A A . 4 ABA HG3 1 1
10 2260 1 1 4 ABA N N 3.411 2.351 -2.785 1.00 . A A . 4 ABA N 1 1
10 2261 1 1 4 ABA O O 1.254 0.129 -3.473 1.00 . A A . 4 ABA O 1 1
10 2262 1 1 5 LEU C C 4.280 -1.636 -5.058 1.00 . A A . 5 LEU C 1 1
10 2263 1 1 5 LEU CA C 2.875 -1.082 -5.297 1.00 . A A . 5 LEU CA 1 1
10 2264 1 1 5 LEU CB C 2.395 -1.382 -6.730 1.00 . A A . 5 LEU CB 1 1
10 2265 1 1 5 LEU CD1 C 3.072 -1.369 -9.137 1.00 . A A . 5 LEU CD1 1 1
10 2266 1 1 5 LEU CD2 C 2.271 0.737 -8.072 1.00 . A A . 5 LEU CD2 1 1
10 2267 1 1 5 LEU CG C 3.038 -0.560 -7.850 1.00 . A A . 5 LEU CG 1 1
10 2268 1 1 5 LEU H H 3.585 0.908 -5.358 1.00 . A A . 5 LEU H 1 1
10 2269 1 1 5 LEU HA H 2.202 -1.560 -4.599 1.00 . A A . 5 LEU HA 1 1
10 2270 1 1 5 LEU HB2 H 2.584 -2.426 -6.933 1.00 . A A . 5 LEU HB2 1 1
10 2271 1 1 5 LEU HB3 H 1.328 -1.218 -6.765 1.00 . A A . 5 LEU HB3 1 1
10 2272 1 1 5 LEU HD11 H 3.423 -2.366 -8.924 1.00 . A A . 5 LEU HD11 1 1
10 2273 1 1 5 LEU HD12 H 3.738 -0.895 -9.842 1.00 . A A . 5 LEU HD12 1 1
10 2274 1 1 5 LEU HD13 H 2.078 -1.419 -9.557 1.00 . A A . 5 LEU HD13 1 1
10 2275 1 1 5 LEU HD21 H 1.534 0.858 -7.291 1.00 . A A . 5 LEU HD21 1 1
10 2276 1 1 5 LEU HD22 H 1.776 0.704 -9.032 1.00 . A A . 5 LEU HD22 1 1
10 2277 1 1 5 LEU HD23 H 2.957 1.571 -8.051 1.00 . A A . 5 LEU HD23 1 1
10 2278 1 1 5 LEU HG H 4.053 -0.312 -7.578 1.00 . A A . 5 LEU HG 1 1
10 2279 1 1 5 LEU N N 2.860 0.342 -5.004 1.00 . A A . 5 LEU N 1 1
10 2280 1 1 5 LEU O O 5.092 -1.722 -5.978 1.00 . A A . 5 LEU O 1 1
10 2281 1 1 6 PRO C C 6.143 -3.876 -3.699 1.00 . A A . 6 PRO C 1 1
10 2282 1 1 6 PRO CA C 5.943 -2.391 -3.390 1.00 . A A . 6 PRO CA 1 1
10 2283 1 1 6 PRO CB C 5.990 -2.139 -1.869 1.00 . A A . 6 PRO CB 1 1
10 2284 1 1 6 PRO CD C 3.751 -1.741 -2.614 1.00 . A A . 6 PRO CD 1 1
10 2285 1 1 6 PRO CG C 4.735 -1.394 -1.539 1.00 . A A . 6 PRO CG 1 1
10 2286 1 1 6 PRO HA H 6.721 -1.818 -3.873 1.00 . A A . 6 PRO HA 1 1
10 2287 1 1 6 PRO HB2 H 6.030 -3.085 -1.351 1.00 . A A . 6 PRO HB2 1 1
10 2288 1 1 6 PRO HB3 H 6.867 -1.557 -1.628 1.00 . A A . 6 PRO HB3 1 1
10 2289 1 1 6 PRO HD2 H 3.233 -2.657 -2.371 1.00 . A A . 6 PRO HD2 1 1
10 2290 1 1 6 PRO HD3 H 3.051 -0.933 -2.764 1.00 . A A . 6 PRO HD3 1 1
10 2291 1 1 6 PRO HG2 H 4.365 -1.713 -0.574 1.00 . A A . 6 PRO HG2 1 1
10 2292 1 1 6 PRO HG3 H 4.928 -0.331 -1.534 1.00 . A A . 6 PRO HG3 1 1
10 2293 1 1 6 PRO N N 4.615 -1.918 -3.785 1.00 . A A . 6 PRO N 1 1
10 2294 1 1 6 PRO O O 6.736 -4.232 -4.720 1.00 . A A . 6 PRO O 1 1
10 2295 1 1 7 GLY C C 6.482 -6.844 -1.881 1.00 . A A . 7 GLY C 1 1
10 2296 1 1 7 GLY CA C 5.759 -6.164 -3.024 1.00 . A A . 7 GLY CA 1 1
10 2297 1 1 7 GLY H H 5.145 -4.394 -2.040 1.00 . A A . 7 GLY H 1 1
10 2298 1 1 7 GLY HA2 H 4.772 -6.593 -3.117 1.00 . A A . 7 GLY HA2 1 1
10 2299 1 1 7 GLY HA3 H 6.305 -6.341 -3.940 1.00 . A A . 7 GLY HA3 1 1
10 2300 1 1 7 GLY N N 5.633 -4.734 -2.822 1.00 . A A . 7 GLY N 1 1
10 2301 1 1 7 GLY O O 7.201 -7.821 -2.086 1.00 . A A . 7 GLY O 1 1
10 2302 1 1 8 GLY C C 5.959 -7.044 1.658 1.00 . A A . 8 GLY C 1 1
10 2303 1 1 8 GLY CA C 6.915 -6.926 0.488 1.00 . A A . 8 GLY CA 1 1
10 2304 1 1 8 GLY H H 5.685 -5.566 -0.565 1.00 . A A . 8 GLY H 1 1
10 2305 1 1 8 GLY HA2 H 7.271 -7.913 0.229 1.00 . A A . 8 GLY HA2 1 1
10 2306 1 1 8 GLY HA3 H 7.756 -6.316 0.780 1.00 . A A . 8 GLY HA3 1 1
10 2307 1 1 8 GLY N N 6.288 -6.333 -0.674 1.00 . A A . 8 GLY N 1 1
10 2308 1 1 8 GLY O O 4.741 -6.925 1.488 1.00 . A A . 8 GLY O 1 1
10 2309 1 1 9 GLY C C 5.195 -5.963 4.495 1.00 . A A . 9 GLY C 1 1
10 2310 1 1 9 GLY CA C 5.701 -7.323 4.049 1.00 . A A . 9 GLY CA 1 1
10 2311 1 1 9 GLY H H 7.492 -7.289 2.921 1.00 . A A . 9 GLY H 1 1
10 2312 1 1 9 GLY HA2 H 4.854 -7.964 3.856 1.00 . A A . 9 GLY HA2 1 1
10 2313 1 1 9 GLY HA3 H 6.294 -7.753 4.844 1.00 . A A . 9 GLY HA3 1 1
10 2314 1 1 9 GLY N N 6.512 -7.238 2.849 1.00 . A A . 9 GLY N 1 1
10 2315 1 1 9 GLY O O 5.886 -5.245 5.222 1.00 . A A . 9 GLY O 1 1
10 2316 1 1 10 GLY C C 3.149 -3.531 3.014 1.00 . A A . 10 GLY C 1 1
10 2317 1 1 10 GLY CA C 3.494 -4.266 4.288 1.00 . A A . 10 GLY CA 1 1
10 2318 1 1 10 GLY H H 3.554 -6.174 3.378 1.00 . A A . 10 GLY H 1 1
10 2319 1 1 10 GLY HA2 H 2.603 -4.368 4.892 1.00 . A A . 10 GLY HA2 1 1
10 2320 1 1 10 GLY HA3 H 4.229 -3.697 4.837 1.00 . A A . 10 GLY HA3 1 1
10 2321 1 1 10 GLY N N 4.026 -5.583 4.005 1.00 . A A . 10 GLY N 1 1
10 2322 1 1 10 GLY O O 4.034 -3.196 2.222 1.00 . A A . 10 GLY O 1 1
10 2323 1 1 11 VAL C C 0.999 -1.368 1.672 1.00 . A A . 11 VAL C 1 1
10 2324 1 1 11 VAL CA C 1.411 -2.825 1.487 1.00 . A A . 11 VAL CA 1 1
10 2325 1 1 11 VAL CB C 0.226 -3.615 0.884 1.00 . A A . 11 VAL CB 1 1
10 2326 1 1 11 VAL CG1 C 0.126 -3.377 -0.617 1.00 . A A . 11 VAL CG1 1 1
10 2327 1 1 11 VAL CG2 C 0.347 -5.100 1.190 1.00 . A A . 11 VAL CG2 1 1
10 2328 1 1 11 VAL H H 1.196 -3.762 3.372 1.00 . A A . 11 VAL H 1 1
10 2329 1 1 11 VAL HA H 2.234 -2.869 0.788 1.00 . A A . 11 VAL HA 1 1
10 2330 1 1 11 VAL HB H -0.685 -3.253 1.341 1.00 . A A . 11 VAL HB 1 1
10 2331 1 1 11 VAL HG11 H 0.021 -4.322 -1.128 1.00 . A A . 11 VAL HG11 1 1
10 2332 1 1 11 VAL HG12 H 1.022 -2.877 -0.962 1.00 . A A . 11 VAL HG12 1 1
10 2333 1 1 11 VAL HG13 H -0.734 -2.756 -0.824 1.00 . A A . 11 VAL HG13 1 1
10 2334 1 1 11 VAL HG21 H -0.616 -5.485 1.489 1.00 . A A . 11 VAL HG21 1 1
10 2335 1 1 11 VAL HG22 H 1.058 -5.244 1.990 1.00 . A A . 11 VAL HG22 1 1
10 2336 1 1 11 VAL HG23 H 0.686 -5.623 0.308 1.00 . A A . 11 VAL HG23 1 1
10 2337 1 1 11 VAL N N 1.862 -3.399 2.743 1.00 . A A . 11 VAL N 1 1
10 2338 1 1 11 VAL O O 0.777 -0.908 2.793 1.00 . A A . 11 VAL O 1 1
10 2339 1 1 12 CYS C C -0.927 0.920 0.874 1.00 . A A . 12 CYS C 1 1
10 2340 1 1 12 CYS CA C 0.546 0.741 0.500 1.00 . A A . 12 CYS CA 1 1
10 2341 1 1 12 CYS CB C 0.811 1.193 -0.912 1.00 . A A . 12 CYS CB 1 1
10 2342 1 1 12 CYS H H 1.125 -1.113 -0.292 1.00 . A A . 12 CYS H 1 1
10 2343 1 1 12 CYS HA H 1.160 1.300 1.163 1.00 . A A . 12 CYS HA 1 1
10 2344 1 1 12 CYS HB2 H 1.821 0.916 -1.172 1.00 . A A . 12 CYS HB2 1 1
10 2345 1 1 12 CYS HB3 H 0.140 0.654 -1.546 1.00 . A A . 12 CYS HB3 1 1
10 2346 1 1 12 CYS N N 0.928 -0.661 0.555 1.00 . A A . 12 CYS N 1 1
10 2347 1 1 12 CYS O O -1.807 0.957 0.009 1.00 . A A . 12 CYS O 1 1
10 2348 1 1 12 CYS SG S 0.627 2.941 -1.258 1.00 . A A . 12 CYS SG 1 1
10 2349 1 1 13 ABA C C -3.029 -0.714 2.594 1.00 . A A . 13 ABA C 1 1
10 2350 1 1 13 ABA CA C -2.587 0.737 2.607 1.00 . A A . 13 ABA CA 1 1
10 2351 1 1 13 ABA CB C -2.791 1.345 4.010 1.00 . A A . 13 ABA CB 1 1
10 2352 1 1 13 ABA CG C -1.907 2.573 4.188 1.00 . A A . 13 ABA CG 1 1
10 2353 1 1 13 ABA H H -0.496 0.584 2.786 1.00 . A A . 13 ABA H 1 1
10 2354 1 1 13 ABA HA H -3.192 1.289 1.901 1.00 . A A . 13 ABA HA 1 1
10 2355 1 1 13 ABA HB3 H -3.822 1.657 4.097 1.00 . A A . 13 ABA HB3 1 1
10 2356 1 1 13 ABA HG1 H -0.905 2.260 4.442 1.00 . A A . 13 ABA HG1 1 1
10 2357 1 1 13 ABA HG2 H -2.302 3.193 4.979 1.00 . A A . 13 ABA HG2 1 1
10 2358 1 1 13 ABA HG3 H -1.885 3.138 3.267 1.00 . A A . 13 ABA HG3 1 1
10 2359 1 1 13 ABA N N -1.216 0.801 2.158 1.00 . A A . 13 ABA N 1 1
10 2360 1 1 13 ABA O O -2.853 -1.457 3.559 1.00 . A A . 13 ABA O 1 1
10 2361 1 1 14 LEU C C -3.459 -2.767 -0.367 1.00 . A A . 14 LEU C 1 1
10 2362 1 1 14 LEU CA C -3.705 -2.525 1.121 1.00 . A A . 14 LEU CA 1 1
10 2363 1 1 14 LEU CB C -5.154 -2.860 1.519 1.00 . A A . 14 LEU CB 1 1
10 2364 1 1 14 LEU CD1 C -5.625 -5.139 0.522 1.00 . A A . 14 LEU CD1 1 1
10 2365 1 1 14 LEU CD2 C -4.351 -4.948 2.664 1.00 . A A . 14 LEU CD2 1 1
10 2366 1 1 14 LEU CG C -5.454 -4.341 1.809 1.00 . A A . 14 LEU CG 1 1
10 2367 1 1 14 LEU H H -3.334 -0.508 0.663 1.00 . A A . 14 LEU H 1 1
10 2368 1 1 14 LEU HA H -3.024 -3.136 1.697 1.00 . A A . 14 LEU HA 1 1
10 2369 1 1 14 LEU HB2 H -5.400 -2.288 2.402 1.00 . A A . 14 LEU HB2 1 1
10 2370 1 1 14 LEU HB3 H -5.803 -2.538 0.717 1.00 . A A . 14 LEU HB3 1 1
10 2371 1 1 14 LEU HD11 H -5.481 -6.188 0.728 1.00 . A A . 14 LEU HD11 1 1
10 2372 1 1 14 LEU HD12 H -4.894 -4.811 -0.203 1.00 . A A . 14 LEU HD12 1 1
10 2373 1 1 14 LEU HD13 H -6.618 -4.981 0.128 1.00 . A A . 14 LEU HD13 1 1
10 2374 1 1 14 LEU HD21 H -4.110 -4.274 3.473 1.00 . A A . 14 LEU HD21 1 1
10 2375 1 1 14 LEU HD22 H -3.473 -5.110 2.056 1.00 . A A . 14 LEU HD22 1 1
10 2376 1 1 14 LEU HD23 H -4.687 -5.891 3.069 1.00 . A A . 14 LEU HD23 1 1
10 2377 1 1 14 LEU HG H -6.379 -4.410 2.364 1.00 . A A . 14 LEU HG 1 1
10 2378 1 1 14 LEU N N -3.413 -1.133 1.408 1.00 . A A . 14 LEU N 1 1
10 2379 1 1 14 LEU O O -3.182 -3.882 -0.801 1.00 . A A . 14 LEU O 1 1
10 2380 1 1 15 ABA C C -4.632 -1.052 -3.220 1.00 . A A . 15 ABA C 1 1
10 2381 1 1 15 ABA CA C -3.423 -1.728 -2.582 1.00 . A A . 15 ABA CA 1 1
10 2382 1 1 15 ABA CB C -2.122 -1.016 -3.038 1.00 . A A . 15 ABA CB 1 1
10 2383 1 1 15 ABA CG C -1.680 -1.527 -4.402 1.00 . A A . 15 ABA CG 1 1
10 2384 1 1 15 ABA H H -3.804 -0.841 -0.717 1.00 . A A . 15 ABA H 1 1
10 2385 1 1 15 ABA HA H -3.382 -2.762 -2.892 1.00 . A A . 15 ABA HA 1 1
10 2386 1 1 15 ABA HB3 H -2.317 0.045 -3.116 1.00 . A A . 15 ABA HB3 1 1
10 2387 1 1 15 ABA HG1 H -1.235 -0.717 -4.961 1.00 . A A . 15 ABA HG1 1 1
10 2388 1 1 15 ABA HG2 H -2.537 -1.907 -4.940 1.00 . A A . 15 ABA HG2 1 1
10 2389 1 1 15 ABA HG3 H -0.956 -2.316 -4.274 1.00 . A A . 15 ABA HG3 1 1
10 2390 1 1 15 ABA N N -3.568 -1.686 -1.134 1.00 . A A . 15 ABA N 1 1
10 2391 1 1 15 ABA O O -5.279 -1.612 -4.104 1.00 . A A . 15 ABA O 1 1
10 2392 1 1 16 DHA C C -7.023 1.314 -2.260 1.00 . A A . 16 DHA C 1 1
10 2393 1 1 16 DHA CA C -6.035 0.844 -3.161 1.00 . A A . 16 DHA CA 1 1
10 2394 1 1 16 DHA CB C -6.143 1.119 -4.468 1.00 . A A . 16 DHA CB 1 1
10 2395 1 1 16 DHA H H -4.369 0.465 -1.989 1.00 . A A . 16 DHA H 1 1
10 2396 1 1 16 DHA HB1 H -5.388 0.773 -5.155 1.00 . A A . 16 DHA HB1 1 1
10 2397 1 1 16 DHA HB2 H -6.972 1.706 -4.829 1.00 . A A . 16 DHA HB2 1 1
10 2398 1 1 16 DHA N N -4.952 0.135 -2.700 1.00 . A A . 16 DHA N 1 1
10 2399 1 1 16 DHA O O -7.769 2.246 -2.568 1.00 . A A . 16 DHA O 1 1
10 2400 1 1 17 GLU C C -7.490 2.271 0.753 1.00 . A A . 17 GLU C 1 1
10 2401 1 1 17 GLU CA C -8.044 1.107 -0.065 1.00 . A A . 17 GLU CA 1 1
10 2402 1 1 17 GLU CB C -8.372 -0.093 0.833 1.00 . A A . 17 GLU CB 1 1
10 2403 1 1 17 GLU CD C -9.710 0.887 2.758 1.00 . A A . 17 GLU CD 1 1
10 2404 1 1 17 GLU CG C -9.720 -0.008 1.537 1.00 . A A . 17 GLU CG 1 1
10 2405 1 1 17 GLU H H -6.485 -0.053 -0.908 1.00 . A A . 17 GLU H 1 1
10 2406 1 1 17 GLU HA H -8.942 1.430 -0.573 1.00 . A A . 17 GLU HA 1 1
10 2407 1 1 17 GLU HB2 H -8.366 -0.989 0.229 1.00 . A A . 17 GLU HB2 1 1
10 2408 1 1 17 GLU HB3 H -7.603 -0.179 1.588 1.00 . A A . 17 GLU HB3 1 1
10 2409 1 1 17 GLU HG2 H -10.447 0.378 0.840 1.00 . A A . 17 GLU HG2 1 1
10 2410 1 1 17 GLU HG3 H -10.009 -1.002 1.842 1.00 . A A . 17 GLU HG3 1 1
10 2411 1 1 17 GLU N N -7.070 0.717 -1.077 1.00 . A A . 17 GLU N 1 1
10 2412 1 1 17 GLU O O -8.199 3.229 1.044 1.00 . A A . 17 GLU O 1 1
10 2413 1 1 17 GLU OE1 O -8.937 0.609 3.698 1.00 . A A . 17 GLU OE1 1 1
10 2414 1 1 17 GLU OE2 O -10.458 1.889 2.773 1.00 . A A . 17 GLU OE2 1 1
10 2415 1 1 18 CYS C C -5.110 4.405 0.451 1.00 . A A . 18 CYS C 1 1
10 2416 1 1 18 CYS CA C -5.513 3.430 1.539 1.00 . A A . 18 CYS CA 1 1
10 2417 1 1 18 CYS CB C -4.253 3.014 2.292 1.00 . A A . 18 CYS CB 1 1
10 2418 1 1 18 CYS H H -5.640 1.563 0.562 1.00 . A A . 18 CYS H 1 1
10 2419 1 1 18 CYS HA H -6.201 3.910 2.219 1.00 . A A . 18 CYS HA 1 1
10 2420 1 1 18 CYS HB2 H -3.511 2.712 1.565 1.00 . A A . 18 CYS HB2 1 1
10 2421 1 1 18 CYS HB3 H -3.878 3.871 2.826 1.00 . A A . 18 CYS HB3 1 1
10 2422 1 1 18 CYS N N -6.177 2.280 0.941 1.00 . A A . 18 CYS N 1 1
10 2423 1 1 18 CYS O O -5.804 5.383 0.182 1.00 . A A . 18 CYS O 1 1
10 2424 1 1 18 CYS SG S -4.492 1.670 3.475 1.00 . A A . 18 CYS SG 1 1
10 2425 1 1 19 ILE C C -3.606 4.463 -2.555 1.00 . A A . 19 ILE C 1 1
10 2426 1 1 19 ILE CA C -3.403 5.028 -1.146 1.00 . A A . 19 ILE CA 1 1
10 2427 1 1 19 ILE CB C -1.907 5.294 -0.883 1.00 . A A . 19 ILE CB 1 1
10 2428 1 1 19 ILE CD1 C -0.261 5.821 0.994 1.00 . A A . 19 ILE CD1 1 1
10 2429 1 1 19 ILE CG1 C -1.708 5.717 0.576 1.00 . A A . 19 ILE CG1 1 1
10 2430 1 1 19 ILE CG2 C -1.382 6.367 -1.826 1.00 . A A . 19 ILE CG2 1 1
10 2431 1 1 19 ILE H H -3.432 3.371 0.148 1.00 . A A . 19 ILE H 1 1
10 2432 1 1 19 ILE HA H -3.929 5.962 -1.063 1.00 . A A . 19 ILE HA 1 1
10 2433 1 1 19 ILE HB H -1.359 4.384 -1.067 1.00 . A A . 19 ILE HB 1 1
10 2434 1 1 19 ILE HD11 H 0.375 5.668 0.134 1.00 . A A . 19 ILE HD11 1 1
10 2435 1 1 19 ILE HD12 H -0.047 5.069 1.738 1.00 . A A . 19 ILE HD12 1 1
10 2436 1 1 19 ILE HD13 H -0.075 6.800 1.408 1.00 . A A . 19 ILE HD13 1 1
10 2437 1 1 19 ILE HG12 H -2.168 6.682 0.727 1.00 . A A . 19 ILE HG12 1 1
10 2438 1 1 19 ILE HG13 H -2.187 4.994 1.218 1.00 . A A . 19 ILE HG13 1 1
10 2439 1 1 19 ILE HG21 H -1.068 5.909 -2.752 1.00 . A A . 19 ILE HG21 1 1
10 2440 1 1 19 ILE HG22 H -0.542 6.869 -1.370 1.00 . A A . 19 ILE HG22 1 1
10 2441 1 1 19 ILE HG23 H -2.165 7.082 -2.026 1.00 . A A . 19 ILE HG23 1 1
10 2442 1 1 19 ILE N N -3.955 4.143 -0.145 1.00 . A A . 19 ILE N 1 1
10 2443 1 1 19 ILE O O -4.420 4.977 -3.322 1.00 . A A . 19 ILE O 1 1
10 2444 1 1 20 TEE CA C -3.020 2.846 -4.137 1.00 . A A . 20 TEE CA 1 1
10 2445 1 1 20 TEE CB C -2.801 1.469 -4.333 1.00 . A A . 20 TEE CB 1 1
10 2446 1 1 20 TEE HA H -4.050 2.551 -4.303 1.00 . A A . 20 TEE HA 1 1
10 2447 1 1 20 TEE HB2 H -2.651 0.818 -3.483 1.00 . A A . 20 TEE HB2 1 1
10 2448 1 1 20 TEE HN1 H -2.254 3.055 -2.212 1.00 . A A . 20 TEE HN1 1 1
10 2449 1 1 20 TEE N N -2.878 3.397 -2.886 1.00 . A A . 20 TEE N 1 1
10 2450 1 1 20 TEE SG S -1.885 0.776 -2.942 1.00 . A A . 20 TEE SG 1 1
11 2451 1 1 1 CYS C C 11.186 4.126 -0.602 1.00 . A A . 1 CYS C 1 1
11 2452 1 1 1 CYS CA C 11.263 5.659 -0.600 1.00 . A A . 1 CYS CA 1 1
11 2453 1 1 1 CYS CB C 11.019 6.217 0.811 1.00 . A A . 1 CYS CB 1 1
11 2454 1 1 1 CYS H1 H 10.783 6.879 -2.219 1.00 . A A . 1 CYS H1 1 1
11 2455 1 1 1 CYS H2 H 9.589 6.834 -1.016 1.00 . A A . 1 CYS H2 1 1
11 2456 1 1 1 CYS H3 H 9.793 5.517 -2.069 1.00 . A A . 1 CYS H3 1 1
11 2457 1 1 1 CYS HA H 12.253 5.950 -0.918 1.00 . A A . 1 CYS HA 1 1
11 2458 1 1 1 CYS HB2 H 11.974 6.417 1.272 1.00 . A A . 1 CYS HB2 1 1
11 2459 1 1 1 CYS HB3 H 10.477 7.148 0.721 1.00 . A A . 1 CYS HB3 1 1
11 2460 1 1 1 CYS N N 10.290 6.262 -1.539 1.00 . A A . 1 CYS N 1 1
11 2461 1 1 1 CYS O O 12.216 3.466 -0.727 1.00 . A A . 1 CYS O 1 1
11 2462 1 1 1 CYS SG S 10.087 5.129 1.911 1.00 . A A . 1 CYS SG 1 1
11 2463 1 1 2 ABA C C 7.550 3.310 -0.667 1.00 . A A . 2 ABA C 1 1
11 2464 1 1 2 ABA CA C 8.719 4.257 -0.405 1.00 . A A . 2 ABA CA 1 1
11 2465 1 1 2 ABA CB C 8.558 4.916 0.985 1.00 . A A . 2 ABA CB 1 1
11 2466 1 1 2 ABA CG C 8.862 3.928 2.102 1.00 . A A . 2 ABA CG 1 1
11 2467 1 1 2 ABA H H 9.948 2.550 -0.526 1.00 . A A . 2 ABA H 1 1
11 2468 1 1 2 ABA HA H 8.711 5.037 -1.154 1.00 . A A . 2 ABA HA 1 1
11 2469 1 1 2 ABA HB3 H 7.533 5.240 1.091 1.00 . A A . 2 ABA HB3 1 1
11 2470 1 1 2 ABA HG1 H 9.806 3.441 1.902 1.00 . A A . 2 ABA HG1 1 1
11 2471 1 1 2 ABA HG2 H 8.078 3.189 2.150 1.00 . A A . 2 ABA HG2 1 1
11 2472 1 1 2 ABA HG3 H 8.920 4.453 3.044 1.00 . A A . 2 ABA HG3 1 1
11 2473 1 1 2 ABA N N 9.982 3.535 -0.525 1.00 . A A . 2 ABA N 1 1
11 2474 1 1 2 ABA O O 7.691 2.343 -1.418 1.00 . A A . 2 ABA O 1 1
11 2475 1 1 3 PHE C C 4.534 3.156 -1.622 1.00 . A A . 3 PHE C 1 1
11 2476 1 1 3 PHE CA C 5.212 2.787 -0.307 1.00 . A A . 3 PHE CA 1 1
11 2477 1 1 3 PHE CB C 4.234 2.913 0.869 1.00 . A A . 3 PHE CB 1 1
11 2478 1 1 3 PHE CD1 C 3.112 5.108 0.412 1.00 . A A . 3 PHE CD1 1 1
11 2479 1 1 3 PHE CD2 C 4.337 4.876 2.442 1.00 . A A . 3 PHE CD2 1 1
11 2480 1 1 3 PHE CE1 C 2.788 6.405 0.752 1.00 . A A . 3 PHE CE1 1 1
11 2481 1 1 3 PHE CE2 C 4.017 6.173 2.788 1.00 . A A . 3 PHE CE2 1 1
11 2482 1 1 3 PHE CG C 3.888 4.327 1.252 1.00 . A A . 3 PHE CG 1 1
11 2483 1 1 3 PHE CZ C 3.254 6.934 1.973 1.00 . A A . 3 PHE CZ 1 1
11 2484 1 1 3 PHE H H 6.321 4.420 0.449 1.00 . A A . 3 PHE H 1 1
11 2485 1 1 3 PHE HA H 5.537 1.761 -0.375 1.00 . A A . 3 PHE HA 1 1
11 2486 1 1 3 PHE HB2 H 3.315 2.409 0.613 1.00 . A A . 3 PHE HB2 1 1
11 2487 1 1 3 PHE HB3 H 4.667 2.433 1.736 1.00 . A A . 3 PHE HB3 1 1
11 2488 1 1 3 PHE HD1 H 2.756 4.691 -0.517 1.00 . A A . 3 PHE HD1 1 1
11 2489 1 1 3 PHE HD2 H 4.946 4.277 3.103 1.00 . A A . 3 PHE HD2 1 1
11 2490 1 1 3 PHE HE1 H 2.181 7.002 0.088 1.00 . A A . 3 PHE HE1 1 1
11 2491 1 1 3 PHE HE2 H 4.376 6.588 3.717 1.00 . A A . 3 PHE HE2 1 1
11 2492 1 1 3 PHE HZ H 3.008 7.947 2.252 1.00 . A A . 3 PHE HZ 1 1
11 2493 1 1 3 PHE N N 6.396 3.602 -0.085 1.00 . A A . 3 PHE N 1 1
11 2494 1 1 3 PHE O O 4.866 4.170 -2.243 1.00 . A A . 3 PHE O 1 1
11 2495 1 1 4 ABA C C 2.604 1.279 -4.017 1.00 . A A . 4 ABA C 1 1
11 2496 1 1 4 ABA CA C 2.828 2.581 -3.252 1.00 . A A . 4 ABA CA 1 1
11 2497 1 1 4 ABA CB C 1.469 3.255 -2.946 1.00 . A A . 4 ABA CB 1 1
11 2498 1 1 4 ABA CG C 1.588 4.763 -3.098 1.00 . A A . 4 ABA CG 1 1
11 2499 1 1 4 ABA H H 3.367 1.550 -1.492 1.00 . A A . 4 ABA H 1 1
11 2500 1 1 4 ABA HA H 3.405 3.248 -3.867 1.00 . A A . 4 ABA HA 1 1
11 2501 1 1 4 ABA HB3 H 1.207 3.041 -1.923 1.00 . A A . 4 ABA HB3 1 1
11 2502 1 1 4 ABA HG1 H 1.951 5.191 -2.176 1.00 . A A . 4 ABA HG1 1 1
11 2503 1 1 4 ABA HG2 H 0.620 5.179 -3.332 1.00 . A A . 4 ABA HG2 1 1
11 2504 1 1 4 ABA HG3 H 2.280 4.991 -3.895 1.00 . A A . 4 ABA HG3 1 1
11 2505 1 1 4 ABA N N 3.579 2.337 -2.030 1.00 . A A . 4 ABA N 1 1
11 2506 1 1 4 ABA O O 1.577 0.621 -3.860 1.00 . A A . 4 ABA O 1 1
11 2507 1 1 5 LEU C C 4.697 -1.302 -5.050 1.00 . A A . 5 LEU C 1 1
11 2508 1 1 5 LEU CA C 3.544 -0.403 -5.483 1.00 . A A . 5 LEU CA 1 1
11 2509 1 1 5 LEU CB C 3.591 -0.165 -6.995 1.00 . A A . 5 LEU CB 1 1
11 2510 1 1 5 LEU CD1 C 2.648 0.941 -9.042 1.00 . A A . 5 LEU CD1 1 1
11 2511 1 1 5 LEU CD2 C 1.106 -0.010 -7.322 1.00 . A A . 5 LEU CD2 1 1
11 2512 1 1 5 LEU CG C 2.443 0.679 -7.558 1.00 . A A . 5 LEU CG 1 1
11 2513 1 1 5 LEU H H 4.441 1.389 -4.799 1.00 . A A . 5 LEU H 1 1
11 2514 1 1 5 LEU HA H 2.612 -0.884 -5.228 1.00 . A A . 5 LEU HA 1 1
11 2515 1 1 5 LEU HB2 H 4.523 0.328 -7.231 1.00 . A A . 5 LEU HB2 1 1
11 2516 1 1 5 LEU HB3 H 3.579 -1.126 -7.490 1.00 . A A . 5 LEU HB3 1 1
11 2517 1 1 5 LEU HD11 H 1.721 0.766 -9.569 1.00 . A A . 5 LEU HD11 1 1
11 2518 1 1 5 LEU HD12 H 3.408 0.276 -9.423 1.00 . A A . 5 LEU HD12 1 1
11 2519 1 1 5 LEU HD13 H 2.958 1.965 -9.188 1.00 . A A . 5 LEU HD13 1 1
11 2520 1 1 5 LEU HD21 H 0.308 0.625 -7.679 1.00 . A A . 5 LEU HD21 1 1
11 2521 1 1 5 LEU HD22 H 0.974 -0.190 -6.264 1.00 . A A . 5 LEU HD22 1 1
11 2522 1 1 5 LEU HD23 H 1.084 -0.950 -7.852 1.00 . A A . 5 LEU HD23 1 1
11 2523 1 1 5 LEU HG H 2.423 1.633 -7.053 1.00 . A A . 5 LEU HG 1 1
11 2524 1 1 5 LEU N N 3.607 0.862 -4.770 1.00 . A A . 5 LEU N 1 1
11 2525 1 1 5 LEU O O 5.758 -1.311 -5.676 1.00 . A A . 5 LEU O 1 1
11 2526 1 1 6 PRO C C 5.812 -4.114 -4.191 1.00 . A A . 6 PRO C 1 1
11 2527 1 1 6 PRO CA C 5.575 -2.861 -3.354 1.00 . A A . 6 PRO CA 1 1
11 2528 1 1 6 PRO CB C 5.039 -3.231 -1.963 1.00 . A A . 6 PRO CB 1 1
11 2529 1 1 6 PRO CD C 3.336 -1.986 -3.073 1.00 . A A . 6 PRO CD 1 1
11 2530 1 1 6 PRO CG C 3.893 -2.307 -1.719 1.00 . A A . 6 PRO CG 1 1
11 2531 1 1 6 PRO HA H 6.505 -2.324 -3.249 1.00 . A A . 6 PRO HA 1 1
11 2532 1 1 6 PRO HB2 H 4.718 -4.264 -1.964 1.00 . A A . 6 PRO HB2 1 1
11 2533 1 1 6 PRO HB3 H 5.818 -3.094 -1.227 1.00 . A A . 6 PRO HB3 1 1
11 2534 1 1 6 PRO HD2 H 2.628 -2.741 -3.380 1.00 . A A . 6 PRO HD2 1 1
11 2535 1 1 6 PRO HD3 H 2.876 -1.008 -3.074 1.00 . A A . 6 PRO HD3 1 1
11 2536 1 1 6 PRO HG2 H 3.146 -2.798 -1.113 1.00 . A A . 6 PRO HG2 1 1
11 2537 1 1 6 PRO HG3 H 4.241 -1.407 -1.234 1.00 . A A . 6 PRO HG3 1 1
11 2538 1 1 6 PRO N N 4.532 -2.007 -3.921 1.00 . A A . 6 PRO N 1 1
11 2539 1 1 6 PRO O O 6.846 -4.250 -4.843 1.00 . A A . 6 PRO O 1 1
11 2540 1 1 7 GLY C C 5.041 -7.483 -3.889 1.00 . A A . 7 GLY C 1 1
11 2541 1 1 7 GLY CA C 5.030 -6.305 -4.835 1.00 . A A . 7 GLY CA 1 1
11 2542 1 1 7 GLY H H 4.089 -4.915 -3.544 1.00 . A A . 7 GLY H 1 1
11 2543 1 1 7 GLY HA2 H 4.211 -6.418 -5.531 1.00 . A A . 7 GLY HA2 1 1
11 2544 1 1 7 GLY HA3 H 5.959 -6.287 -5.385 1.00 . A A . 7 GLY HA3 1 1
11 2545 1 1 7 GLY N N 4.878 -5.054 -4.122 1.00 . A A . 7 GLY N 1 1
11 2546 1 1 7 GLY O O 4.700 -8.602 -4.269 1.00 . A A . 7 GLY O 1 1
11 2547 1 1 8 GLY C C 5.719 -7.652 -0.265 1.00 . A A . 8 GLY C 1 1
11 2548 1 1 8 GLY CA C 5.462 -8.245 -1.633 1.00 . A A . 8 GLY CA 1 1
11 2549 1 1 8 GLY H H 5.653 -6.298 -2.410 1.00 . A A . 8 GLY H 1 1
11 2550 1 1 8 GLY HA2 H 4.520 -8.773 -1.619 1.00 . A A . 8 GLY HA2 1 1
11 2551 1 1 8 GLY HA3 H 6.253 -8.939 -1.870 1.00 . A A . 8 GLY HA3 1 1
11 2552 1 1 8 GLY N N 5.413 -7.215 -2.647 1.00 . A A . 8 GLY N 1 1
11 2553 1 1 8 GLY O O 6.244 -6.540 -0.162 1.00 . A A . 8 GLY O 1 1
11 2554 1 1 9 GLY C C 4.270 -6.809 2.403 1.00 . A A . 9 GLY C 1 1
11 2555 1 1 9 GLY CA C 5.374 -7.802 2.116 1.00 . A A . 9 GLY CA 1 1
11 2556 1 1 9 GLY H H 4.778 -9.181 0.623 1.00 . A A . 9 GLY H 1 1
11 2557 1 1 9 GLY HA2 H 5.316 -8.612 2.828 1.00 . A A . 9 GLY HA2 1 1
11 2558 1 1 9 GLY HA3 H 6.327 -7.306 2.220 1.00 . A A . 9 GLY HA3 1 1
11 2559 1 1 9 GLY N N 5.268 -8.339 0.774 1.00 . A A . 9 GLY N 1 1
11 2560 1 1 9 GLY O O 3.157 -6.953 1.892 1.00 . A A . 9 GLY O 1 1
11 2561 1 1 10 GLY C C 3.211 -3.992 2.192 1.00 . A A . 10 GLY C 1 1
11 2562 1 1 10 GLY CA C 3.623 -4.728 3.450 1.00 . A A . 10 GLY CA 1 1
11 2563 1 1 10 GLY H H 5.508 -5.689 3.503 1.00 . A A . 10 GLY H 1 1
11 2564 1 1 10 GLY HA2 H 2.749 -5.170 3.904 1.00 . A A . 10 GLY HA2 1 1
11 2565 1 1 10 GLY HA3 H 4.060 -4.023 4.141 1.00 . A A . 10 GLY HA3 1 1
11 2566 1 1 10 GLY N N 4.590 -5.773 3.171 1.00 . A A . 10 GLY N 1 1
11 2567 1 1 10 GLY O O 4.006 -3.857 1.262 1.00 . A A . 10 GLY O 1 1
11 2568 1 1 11 VAL C C 1.118 -1.442 1.231 1.00 . A A . 11 VAL C 1 1
11 2569 1 1 11 VAL CA C 1.459 -2.898 0.937 1.00 . A A . 11 VAL CA 1 1
11 2570 1 1 11 VAL CB C 0.211 -3.609 0.367 1.00 . A A . 11 VAL CB 1 1
11 2571 1 1 11 VAL CG1 C -0.007 -3.235 -1.095 1.00 . A A . 11 VAL CG1 1 1
11 2572 1 1 11 VAL CG2 C 0.323 -5.116 0.517 1.00 . A A . 11 VAL CG2 1 1
11 2573 1 1 11 VAL H H 1.358 -3.709 2.890 1.00 . A A . 11 VAL H 1 1
11 2574 1 1 11 VAL HA H 2.240 -2.929 0.189 1.00 . A A . 11 VAL HA 1 1
11 2575 1 1 11 VAL HB H -0.649 -3.279 0.929 1.00 . A A . 11 VAL HB 1 1
11 2576 1 1 11 VAL HG11 H 0.879 -2.750 -1.480 1.00 . A A . 11 VAL HG11 1 1
11 2577 1 1 11 VAL HG12 H -0.847 -2.560 -1.172 1.00 . A A . 11 VAL HG12 1 1
11 2578 1 1 11 VAL HG13 H -0.207 -4.127 -1.670 1.00 . A A . 11 VAL HG13 1 1
11 2579 1 1 11 VAL HG21 H -0.531 -5.588 0.053 1.00 . A A . 11 VAL HG21 1 1
11 2580 1 1 11 VAL HG22 H 0.353 -5.373 1.564 1.00 . A A . 11 VAL HG22 1 1
11 2581 1 1 11 VAL HG23 H 1.227 -5.460 0.035 1.00 . A A . 11 VAL HG23 1 1
11 2582 1 1 11 VAL N N 1.963 -3.558 2.131 1.00 . A A . 11 VAL N 1 1
11 2583 1 1 11 VAL O O 1.051 -1.028 2.390 1.00 . A A . 11 VAL O 1 1
11 2584 1 1 12 CYS C C -0.854 0.909 0.731 1.00 . A A . 12 CYS C 1 1
11 2585 1 1 12 CYS CA C 0.588 0.732 0.256 1.00 . A A . 12 CYS CA 1 1
11 2586 1 1 12 CYS CB C 0.784 1.300 -1.126 1.00 . A A . 12 CYS CB 1 1
11 2587 1 1 12 CYS H H 1.000 -1.070 -0.722 1.00 . A A . 12 CYS H 1 1
11 2588 1 1 12 CYS HA H 1.257 1.212 0.933 1.00 . A A . 12 CYS HA 1 1
11 2589 1 1 12 CYS HB2 H 1.705 0.909 -1.526 1.00 . A A . 12 CYS HB2 1 1
11 2590 1 1 12 CYS HB3 H -0.021 0.948 -1.731 1.00 . A A . 12 CYS HB3 1 1
11 2591 1 1 12 CYS N N 0.925 -0.672 0.172 1.00 . A A . 12 CYS N 1 1
11 2592 1 1 12 CYS O O -1.780 1.060 -0.070 1.00 . A A . 12 CYS O 1 1
11 2593 1 1 12 CYS SG S 0.853 3.091 -1.250 1.00 . A A . 12 CYS SG 1 1
11 2594 1 1 13 ABA C C -2.816 -0.866 2.631 1.00 . A A . 13 ABA C 1 1
11 2595 1 1 13 ABA CA C -2.408 0.590 2.536 1.00 . A A . 13 ABA CA 1 1
11 2596 1 1 13 ABA CB C -2.562 1.293 3.898 1.00 . A A . 13 ABA CB 1 1
11 2597 1 1 13 ABA CG C -1.441 2.298 4.122 1.00 . A A . 13 ABA CG 1 1
11 2598 1 1 13 ABA H H -0.324 0.349 2.563 1.00 . A A . 13 ABA H 1 1
11 2599 1 1 13 ABA HA H -3.060 1.080 1.827 1.00 . A A . 13 ABA HA 1 1
11 2600 1 1 13 ABA HB3 H -3.499 1.830 3.897 1.00 . A A . 13 ABA HB3 1 1
11 2601 1 1 13 ABA HG1 H -1.696 2.939 4.951 1.00 . A A . 13 ABA HG1 1 1
11 2602 1 1 13 ABA HG2 H -1.309 2.895 3.231 1.00 . A A . 13 ABA HG2 1 1
11 2603 1 1 13 ABA HG3 H -0.524 1.771 4.342 1.00 . A A . 13 ABA HG3 1 1
11 2604 1 1 13 ABA N N -1.068 0.662 2.009 1.00 . A A . 13 ABA N 1 1
11 2605 1 1 13 ABA O O -2.436 -1.589 3.553 1.00 . A A . 13 ABA O 1 1
11 2606 1 1 14 LEU C C -3.592 -2.940 -0.235 1.00 . A A . 14 LEU C 1 1
11 2607 1 1 14 LEU CA C -3.630 -2.720 1.273 1.00 . A A . 14 LEU CA 1 1
11 2608 1 1 14 LEU CB C -4.996 -3.113 1.848 1.00 . A A . 14 LEU CB 1 1
11 2609 1 1 14 LEU CD1 C -4.412 -5.456 2.529 1.00 . A A . 14 LEU CD1 1 1
11 2610 1 1 14 LEU CD2 C -6.805 -4.825 2.158 1.00 . A A . 14 LEU CD2 1 1
11 2611 1 1 14 LEU CG C -5.365 -4.593 1.718 1.00 . A A . 14 LEU CG 1 1
11 2612 1 1 14 LEU H H -3.385 -0.701 0.764 1.00 . A A . 14 LEU H 1 1
11 2613 1 1 14 LEU HA H -2.855 -3.308 1.740 1.00 . A A . 14 LEU HA 1 1
11 2614 1 1 14 LEU HB2 H -5.008 -2.853 2.897 1.00 . A A . 14 LEU HB2 1 1
11 2615 1 1 14 LEU HB3 H -5.753 -2.530 1.344 1.00 . A A . 14 LEU HB3 1 1
11 2616 1 1 14 LEU HD11 H -4.153 -4.943 3.444 1.00 . A A . 14 LEU HD11 1 1
11 2617 1 1 14 LEU HD12 H -3.518 -5.640 1.954 1.00 . A A . 14 LEU HD12 1 1
11 2618 1 1 14 LEU HD13 H -4.889 -6.396 2.767 1.00 . A A . 14 LEU HD13 1 1
11 2619 1 1 14 LEU HD21 H -6.868 -4.758 3.235 1.00 . A A . 14 LEU HD21 1 1
11 2620 1 1 14 LEU HD22 H -7.126 -5.806 1.841 1.00 . A A . 14 LEU HD22 1 1
11 2621 1 1 14 LEU HD23 H -7.441 -4.077 1.711 1.00 . A A . 14 LEU HD23 1 1
11 2622 1 1 14 LEU HG H -5.280 -4.890 0.683 1.00 . A A . 14 LEU HG 1 1
11 2623 1 1 14 LEU N N -3.351 -1.315 1.521 1.00 . A A . 14 LEU N 1 1
11 2624 1 1 14 LEU O O -3.279 -4.019 -0.728 1.00 . A A . 14 LEU O 1 1
11 2625 1 1 15 ABA C C -5.223 -1.235 -2.881 1.00 . A A . 15 ABA C 1 1
11 2626 1 1 15 ABA CA C -3.922 -1.847 -2.403 1.00 . A A . 15 ABA CA 1 1
11 2627 1 1 15 ABA CB C -2.766 -0.988 -2.955 1.00 . A A . 15 ABA CB 1 1
11 2628 1 1 15 ABA CG C -1.871 -1.784 -3.892 1.00 . A A . 15 ABA CG 1 1
11 2629 1 1 15 ABA H H -4.173 -1.057 -0.474 1.00 . A A . 15 ABA H 1 1
11 2630 1 1 15 ABA HA H -3.828 -2.857 -2.770 1.00 . A A . 15 ABA HA 1 1
11 2631 1 1 15 ABA HB3 H -2.183 -0.626 -2.131 1.00 . A A . 15 ABA HB3 1 1
11 2632 1 1 15 ABA HG1 H -2.482 -2.340 -4.588 1.00 . A A . 15 ABA HG1 1 1
11 2633 1 1 15 ABA HG2 H -1.264 -2.469 -3.317 1.00 . A A . 15 ABA HG2 1 1
11 2634 1 1 15 ABA HG3 H -1.231 -1.107 -4.437 1.00 . A A . 15 ABA HG3 1 1
11 2635 1 1 15 ABA N N -3.905 -1.865 -0.948 1.00 . A A . 15 ABA N 1 1
11 2636 1 1 15 ABA O O -6.069 -1.900 -3.476 1.00 . A A . 15 ABA O 1 1
11 2637 1 1 16 DHA C C -7.286 1.392 -2.196 1.00 . A A . 16 DHA C 1 1
11 2638 1 1 16 DHA CA C -6.396 0.774 -3.103 1.00 . A A . 16 DHA CA 1 1
11 2639 1 1 16 DHA CB C -6.575 0.905 -4.416 1.00 . A A . 16 DHA CB 1 1
11 2640 1 1 16 DHA H H -4.554 0.492 -2.220 1.00 . A A . 16 DHA H 1 1
11 2641 1 1 16 DHA HB1 H -5.888 0.438 -5.104 1.00 . A A . 16 DHA HB1 1 1
11 2642 1 1 16 DHA HB2 H -7.370 1.514 -4.787 1.00 . A A . 16 DHA HB2 1 1
11 2643 1 1 16 DHA N N -5.323 0.068 -2.655 1.00 . A A . 16 DHA N 1 1
11 2644 1 1 16 DHA O O -7.911 2.406 -2.514 1.00 . A A . 16 DHA O 1 1
11 2645 1 1 17 GLU C C -7.441 2.484 0.816 1.00 . A A . 17 GLU C 1 1
11 2646 1 1 17 GLU CA C -8.204 1.410 0.053 1.00 . A A . 17 GLU CA 1 1
11 2647 1 1 17 GLU CB C -8.667 0.308 1.007 1.00 . A A . 17 GLU CB 1 1
11 2648 1 1 17 GLU CD C -11.056 1.066 1.407 1.00 . A A . 17 GLU CD 1 1
11 2649 1 1 17 GLU CG C -9.702 0.760 2.026 1.00 . A A . 17 GLU CG 1 1
11 2650 1 1 17 GLU H H -6.844 0.029 -0.801 1.00 . A A . 17 GLU H 1 1
11 2651 1 1 17 GLU HA H -9.066 1.858 -0.419 1.00 . A A . 17 GLU HA 1 1
11 2652 1 1 17 GLU HB2 H -9.098 -0.495 0.426 1.00 . A A . 17 GLU HB2 1 1
11 2653 1 1 17 GLU HB3 H -7.809 -0.073 1.543 1.00 . A A . 17 GLU HB3 1 1
11 2654 1 1 17 GLU HG2 H -9.830 -0.021 2.759 1.00 . A A . 17 GLU HG2 1 1
11 2655 1 1 17 GLU HG3 H -9.338 1.653 2.515 1.00 . A A . 17 GLU HG3 1 1
11 2656 1 1 17 GLU N N -7.355 0.849 -0.988 1.00 . A A . 17 GLU N 1 1
11 2657 1 1 17 GLU O O -8.012 3.486 1.237 1.00 . A A . 17 GLU O 1 1
11 2658 1 1 17 GLU OE1 O -11.137 1.132 0.163 1.00 . A A . 17 GLU OE1 1 1
11 2659 1 1 17 GLU OE2 O -12.043 1.237 2.153 1.00 . A A . 17 GLU OE2 1 1
11 2660 1 1 18 CYS C C -4.899 4.383 0.304 1.00 . A A . 18 CYS C 1 1
11 2661 1 1 18 CYS CA C -5.265 3.389 1.392 1.00 . A A . 18 CYS CA 1 1
11 2662 1 1 18 CYS CB C -3.989 2.800 1.988 1.00 . A A . 18 CYS CB 1 1
11 2663 1 1 18 CYS H H -5.715 1.586 0.386 1.00 . A A . 18 CYS H 1 1
11 2664 1 1 18 CYS HA H -5.818 3.902 2.165 1.00 . A A . 18 CYS HA 1 1
11 2665 1 1 18 CYS HB2 H -3.580 2.087 1.286 1.00 . A A . 18 CYS HB2 1 1
11 2666 1 1 18 CYS HB3 H -3.276 3.601 2.120 1.00 . A A . 18 CYS HB3 1 1
11 2667 1 1 18 CYS N N -6.121 2.349 0.842 1.00 . A A . 18 CYS N 1 1
11 2668 1 1 18 CYS O O -5.635 5.334 0.045 1.00 . A A . 18 CYS O 1 1
11 2669 1 1 18 CYS SG S -4.220 1.949 3.569 1.00 . A A . 18 CYS SG 1 1
11 2670 1 1 19 ILE C C -3.735 4.422 -2.795 1.00 . A A . 19 ILE C 1 1
11 2671 1 1 19 ILE CA C -3.350 5.010 -1.435 1.00 . A A . 19 ILE CA 1 1
11 2672 1 1 19 ILE CB C -1.826 5.296 -1.412 1.00 . A A . 19 ILE CB 1 1
11 2673 1 1 19 ILE CD1 C -1.176 4.889 1.037 1.00 . A A . 19 ILE CD1 1 1
11 2674 1 1 19 ILE CG1 C -1.386 5.902 -0.070 1.00 . A A . 19 ILE CG1 1 1
11 2675 1 1 19 ILE CG2 C -1.461 6.245 -2.545 1.00 . A A . 19 ILE CG2 1 1
11 2676 1 1 19 ILE H H -3.239 3.358 -0.126 1.00 . A A . 19 ILE H 1 1
11 2677 1 1 19 ILE HA H -3.866 5.944 -1.299 1.00 . A A . 19 ILE HA 1 1
11 2678 1 1 19 ILE HB H -1.302 4.367 -1.571 1.00 . A A . 19 ILE HB 1 1
11 2679 1 1 19 ILE HD11 H -2.057 4.272 1.130 1.00 . A A . 19 ILE HD11 1 1
11 2680 1 1 19 ILE HD12 H -0.996 5.406 1.968 1.00 . A A . 19 ILE HD12 1 1
11 2681 1 1 19 ILE HD13 H -0.326 4.266 0.800 1.00 . A A . 19 ILE HD13 1 1
11 2682 1 1 19 ILE HG12 H -0.456 6.429 -0.212 1.00 . A A . 19 ILE HG12 1 1
11 2683 1 1 19 ILE HG13 H -2.141 6.599 0.261 1.00 . A A . 19 ILE HG13 1 1
11 2684 1 1 19 ILE HG21 H -2.008 7.167 -2.431 1.00 . A A . 19 ILE HG21 1 1
11 2685 1 1 19 ILE HG22 H -1.715 5.790 -3.493 1.00 . A A . 19 ILE HG22 1 1
11 2686 1 1 19 ILE HG23 H -0.400 6.450 -2.519 1.00 . A A . 19 ILE HG23 1 1
11 2687 1 1 19 ILE N N -3.782 4.136 -0.365 1.00 . A A . 19 ILE N 1 1
11 2688 1 1 19 ILE O O -4.593 4.964 -3.492 1.00 . A A . 19 ILE O 1 1
11 2689 1 1 20 TEE CA C -3.398 2.738 -4.378 1.00 . A A . 20 TEE CA 1 1
11 2690 1 1 20 TEE CB C -3.215 1.353 -4.569 1.00 . A A . 20 TEE CB 1 1
11 2691 1 1 20 TEE HA H -4.433 2.426 -4.477 1.00 . A A . 20 TEE HA 1 1
11 2692 1 1 20 TEE HB2 H -2.737 0.763 -3.801 1.00 . A A . 20 TEE HB2 1 1
11 2693 1 1 20 TEE HN1 H -2.429 2.955 -2.550 1.00 . A A . 20 TEE HN1 1 1
11 2694 1 1 20 TEE N N -3.102 3.314 -3.166 1.00 . A A . 20 TEE N 1 1
11 2695 1 1 20 TEE SG S -2.398 0.780 -3.062 1.00 . A A . 20 TEE SG 1 1
12 2696 1 1 1 CYS C C 9.957 2.264 -0.994 1.00 . A A . 1 CYS C 1 1
12 2697 1 1 1 CYS CA C 9.284 1.536 0.159 1.00 . A A . 1 CYS CA 1 1
12 2698 1 1 1 CYS CB C 9.829 2.040 1.493 1.00 . A A . 1 CYS CB 1 1
12 2699 1 1 1 CYS H1 H 10.384 -0.189 0.545 1.00 . A A . 1 CYS H1 1 1
12 2700 1 1 1 CYS H2 H 9.566 -0.208 -0.943 1.00 . A A . 1 CYS H2 1 1
12 2701 1 1 1 CYS H3 H 8.705 -0.438 0.500 1.00 . A A . 1 CYS H3 1 1
12 2702 1 1 1 CYS HA H 8.222 1.726 0.116 1.00 . A A . 1 CYS HA 1 1
12 2703 1 1 1 CYS HB2 H 9.232 1.628 2.293 1.00 . A A . 1 CYS HB2 1 1
12 2704 1 1 1 CYS HB3 H 10.849 1.705 1.604 1.00 . A A . 1 CYS HB3 1 1
12 2705 1 1 1 CYS N N 9.498 0.076 0.060 1.00 . A A . 1 CYS N 1 1
12 2706 1 1 1 CYS O O 10.977 1.801 -1.506 1.00 . A A . 1 CYS O 1 1
12 2707 1 1 1 CYS SG S 9.806 3.835 1.641 1.00 . A A . 1 CYS SG 1 1
12 2708 1 1 2 ABA C C 6.952 3.093 -1.101 1.00 . A A . 2 ABA C 1 1
12 2709 1 1 2 ABA CA C 8.174 3.973 -0.844 1.00 . A A . 2 ABA CA 1 1
12 2710 1 1 2 ABA CB C 8.329 4.218 0.678 1.00 . A A . 2 ABA CB 1 1
12 2711 1 1 2 ABA CG C 9.264 5.391 0.939 1.00 . A A . 2 ABA CG 1 1
12 2712 1 1 2 ABA H H 9.808 3.865 -2.188 1.00 . A A . 2 ABA H 1 1
12 2713 1 1 2 ABA HA H 8.010 4.930 -1.320 1.00 . A A . 2 ABA HA 1 1
12 2714 1 1 2 ABA HB3 H 7.356 4.467 1.082 1.00 . A A . 2 ABA HB3 1 1
12 2715 1 1 2 ABA HG1 H 8.885 6.272 0.444 1.00 . A A . 2 ABA HG1 1 1
12 2716 1 1 2 ABA HG2 H 10.249 5.159 0.559 1.00 . A A . 2 ABA HG2 1 1
12 2717 1 1 2 ABA HG3 H 9.321 5.573 2.003 1.00 . A A . 2 ABA HG3 1 1
12 2718 1 1 2 ABA N N 9.387 3.394 -1.431 1.00 . A A . 2 ABA N 1 1
12 2719 1 1 2 ABA O O 6.983 2.213 -1.965 1.00 . A A . 2 ABA O 1 1
12 2720 1 1 3 PHE C C 3.962 2.911 -1.815 1.00 . A A . 3 PHE C 1 1
12 2721 1 1 3 PHE CA C 4.663 2.559 -0.505 1.00 . A A . 3 PHE CA 1 1
12 2722 1 1 3 PHE CB C 3.732 2.789 0.692 1.00 . A A . 3 PHE CB 1 1
12 2723 1 1 3 PHE CD1 C 2.421 4.887 0.214 1.00 . A A . 3 PHE CD1 1 1
12 2724 1 1 3 PHE CD2 C 4.063 4.938 1.939 1.00 . A A . 3 PHE CD2 1 1
12 2725 1 1 3 PHE CE1 C 2.113 6.209 0.462 1.00 . A A . 3 PHE CE1 1 1
12 2726 1 1 3 PHE CE2 C 3.757 6.260 2.193 1.00 . A A . 3 PHE CE2 1 1
12 2727 1 1 3 PHE CG C 3.402 4.235 0.947 1.00 . A A . 3 PHE CG 1 1
12 2728 1 1 3 PHE CZ C 2.780 6.896 1.453 1.00 . A A . 3 PHE CZ 1 1
12 2729 1 1 3 PHE H H 5.921 4.037 0.325 1.00 . A A . 3 PHE H 1 1
12 2730 1 1 3 PHE HA H 4.935 1.514 -0.535 1.00 . A A . 3 PHE HA 1 1
12 2731 1 1 3 PHE HB2 H 2.805 2.263 0.520 1.00 . A A . 3 PHE HB2 1 1
12 2732 1 1 3 PHE HB3 H 4.202 2.393 1.580 1.00 . A A . 3 PHE HB3 1 1
12 2733 1 1 3 PHE HD1 H 1.896 4.351 -0.564 1.00 . A A . 3 PHE HD1 1 1
12 2734 1 1 3 PHE HD2 H 4.831 4.444 2.516 1.00 . A A . 3 PHE HD2 1 1
12 2735 1 1 3 PHE HE1 H 1.351 6.704 -0.118 1.00 . A A . 3 PHE HE1 1 1
12 2736 1 1 3 PHE HE2 H 4.285 6.796 2.968 1.00 . A A . 3 PHE HE2 1 1
12 2737 1 1 3 PHE HZ H 2.537 7.928 1.654 1.00 . A A . 3 PHE HZ 1 1
12 2738 1 1 3 PHE N N 5.889 3.324 -0.348 1.00 . A A . 3 PHE N 1 1
12 2739 1 1 3 PHE O O 4.169 3.985 -2.378 1.00 . A A . 3 PHE O 1 1
12 2740 1 1 4 ABA C C 2.306 0.803 -4.257 1.00 . A A . 4 ABA C 1 1
12 2741 1 1 4 ABA CA C 2.450 2.146 -3.564 1.00 . A A . 4 ABA CA 1 1
12 2742 1 1 4 ABA CB C 1.047 2.763 -3.333 1.00 . A A . 4 ABA CB 1 1
12 2743 1 1 4 ABA CG C 1.031 4.232 -3.724 1.00 . A A . 4 ABA CG 1 1
12 2744 1 1 4 ABA H H 3.098 1.124 -1.844 1.00 . A A . 4 ABA H 1 1
12 2745 1 1 4 ABA HA H 3.019 2.805 -4.192 1.00 . A A . 4 ABA HA 1 1
12 2746 1 1 4 ABA HB3 H 0.817 2.692 -2.280 1.00 . A A . 4 ABA HB3 1 1
12 2747 1 1 4 ABA HG1 H 0.773 4.324 -4.768 1.00 . A A . 4 ABA HG1 1 1
12 2748 1 1 4 ABA HG2 H 2.009 4.663 -3.556 1.00 . A A . 4 ABA HG2 1 1
12 2749 1 1 4 ABA HG3 H 0.300 4.757 -3.125 1.00 . A A . 4 ABA HG3 1 1
12 2750 1 1 4 ABA N N 3.175 1.974 -2.314 1.00 . A A . 4 ABA N 1 1
12 2751 1 1 4 ABA O O 1.314 0.101 -4.064 1.00 . A A . 4 ABA O 1 1
12 2752 1 1 5 LEU C C 4.606 -1.727 -4.927 1.00 . A A . 5 LEU C 1 1
12 2753 1 1 5 LEU CA C 3.422 -0.955 -5.503 1.00 . A A . 5 LEU CA 1 1
12 2754 1 1 5 LEU CB C 3.536 -0.870 -7.028 1.00 . A A . 5 LEU CB 1 1
12 2755 1 1 5 LEU CD1 C 2.652 -0.056 -9.230 1.00 . A A . 5 LEU CD1 1 1
12 2756 1 1 5 LEU CD2 C 1.063 -0.815 -7.455 1.00 . A A . 5 LEU CD2 1 1
12 2757 1 1 5 LEU CG C 2.395 -0.131 -7.732 1.00 . A A . 5 LEU CG 1 1
12 2758 1 1 5 LEU H H 4.190 0.925 -4.912 1.00 . A A . 5 LEU H 1 1
12 2759 1 1 5 LEU HA H 2.507 -1.468 -5.242 1.00 . A A . 5 LEU HA 1 1
12 2760 1 1 5 LEU HB2 H 4.463 -0.371 -7.272 1.00 . A A . 5 LEU HB2 1 1
12 2761 1 1 5 LEU HB3 H 3.577 -1.876 -7.419 1.00 . A A . 5 LEU HB3 1 1
12 2762 1 1 5 LEU HD11 H 3.542 0.528 -9.415 1.00 . A A . 5 LEU HD11 1 1
12 2763 1 1 5 LEU HD12 H 1.807 0.409 -9.714 1.00 . A A . 5 LEU HD12 1 1
12 2764 1 1 5 LEU HD13 H 2.788 -1.054 -9.622 1.00 . A A . 5 LEU HD13 1 1
12 2765 1 1 5 LEU HD21 H 0.377 -0.606 -8.264 1.00 . A A . 5 LEU HD21 1 1
12 2766 1 1 5 LEU HD22 H 0.653 -0.441 -6.529 1.00 . A A . 5 LEU HD22 1 1
12 2767 1 1 5 LEU HD23 H 1.216 -1.881 -7.379 1.00 . A A . 5 LEU HD23 1 1
12 2768 1 1 5 LEU HG H 2.340 0.879 -7.349 1.00 . A A . 5 LEU HG 1 1
12 2769 1 1 5 LEU N N 3.371 0.377 -4.919 1.00 . A A . 5 LEU N 1 1
12 2770 1 1 5 LEU O O 5.698 -1.718 -5.496 1.00 . A A . 5 LEU O 1 1
12 2771 1 1 6 PRO C C 5.422 -4.443 -2.979 1.00 . A A . 6 PRO C 1 1
12 2772 1 1 6 PRO CA C 5.533 -2.914 -2.984 1.00 . A A . 6 PRO CA 1 1
12 2773 1 1 6 PRO CB C 5.321 -2.341 -1.574 1.00 . A A . 6 PRO CB 1 1
12 2774 1 1 6 PRO CD C 3.265 -2.191 -2.872 1.00 . A A . 6 PRO CD 1 1
12 2775 1 1 6 PRO CG C 3.855 -1.986 -1.494 1.00 . A A . 6 PRO CG 1 1
12 2776 1 1 6 PRO HA H 6.502 -2.617 -3.356 1.00 . A A . 6 PRO HA 1 1
12 2777 1 1 6 PRO HB2 H 5.590 -3.087 -0.841 1.00 . A A . 6 PRO HB2 1 1
12 2778 1 1 6 PRO HB3 H 5.942 -1.468 -1.444 1.00 . A A . 6 PRO HB3 1 1
12 2779 1 1 6 PRO HD2 H 2.696 -3.110 -2.910 1.00 . A A . 6 PRO HD2 1 1
12 2780 1 1 6 PRO HD3 H 2.649 -1.348 -3.153 1.00 . A A . 6 PRO HD3 1 1
12 2781 1 1 6 PRO HG2 H 3.364 -2.633 -0.782 1.00 . A A . 6 PRO HG2 1 1
12 2782 1 1 6 PRO HG3 H 3.749 -0.954 -1.192 1.00 . A A . 6 PRO HG3 1 1
12 2783 1 1 6 PRO N N 4.454 -2.274 -3.713 1.00 . A A . 6 PRO N 1 1
12 2784 1 1 6 PRO O O 5.756 -5.101 -3.967 1.00 . A A . 6 PRO O 1 1
12 2785 1 1 7 GLY C C 4.140 -6.812 -0.442 1.00 . A A . 7 GLY C 1 1
12 2786 1 1 7 GLY CA C 4.745 -6.429 -1.774 1.00 . A A . 7 GLY CA 1 1
12 2787 1 1 7 GLY H H 4.612 -4.422 -1.150 1.00 . A A . 7 GLY H 1 1
12 2788 1 1 7 GLY HA2 H 4.100 -6.774 -2.568 1.00 . A A . 7 GLY HA2 1 1
12 2789 1 1 7 GLY HA3 H 5.710 -6.904 -1.871 1.00 . A A . 7 GLY HA3 1 1
12 2790 1 1 7 GLY N N 4.909 -4.997 -1.885 1.00 . A A . 7 GLY N 1 1
12 2791 1 1 7 GLY O O 3.321 -6.073 0.107 1.00 . A A . 7 GLY O 1 1
12 2792 1 1 8 GLY C C 4.584 -7.560 2.527 1.00 . A A . 8 GLY C 1 1
12 2793 1 1 8 GLY CA C 4.071 -8.406 1.375 1.00 . A A . 8 GLY CA 1 1
12 2794 1 1 8 GLY H H 5.224 -8.491 -0.399 1.00 . A A . 8 GLY H 1 1
12 2795 1 1 8 GLY HA2 H 2.992 -8.368 1.369 1.00 . A A . 8 GLY HA2 1 1
12 2796 1 1 8 GLY HA3 H 4.384 -9.428 1.525 1.00 . A A . 8 GLY HA3 1 1
12 2797 1 1 8 GLY N N 4.559 -7.951 0.086 1.00 . A A . 8 GLY N 1 1
12 2798 1 1 8 GLY O O 5.587 -6.851 2.392 1.00 . A A . 8 GLY O 1 1
12 2799 1 1 9 GLY C C 3.918 -5.396 4.705 1.00 . A A . 9 GLY C 1 1
12 2800 1 1 9 GLY CA C 4.292 -6.861 4.826 1.00 . A A . 9 GLY CA 1 1
12 2801 1 1 9 GLY H H 3.106 -8.210 3.702 1.00 . A A . 9 GLY H 1 1
12 2802 1 1 9 GLY HA2 H 3.808 -7.275 5.697 1.00 . A A . 9 GLY HA2 1 1
12 2803 1 1 9 GLY HA3 H 5.362 -6.940 4.950 1.00 . A A . 9 GLY HA3 1 1
12 2804 1 1 9 GLY N N 3.897 -7.630 3.660 1.00 . A A . 9 GLY N 1 1
12 2805 1 1 9 GLY O O 2.759 -5.034 4.892 1.00 . A A . 9 GLY O 1 1
12 2806 1 1 10 GLY C C 3.943 -2.863 2.864 1.00 . A A . 10 GLY C 1 1
12 2807 1 1 10 GLY CA C 4.631 -3.148 4.179 1.00 . A A . 10 GLY CA 1 1
12 2808 1 1 10 GLY H H 5.788 -4.917 4.192 1.00 . A A . 10 GLY H 1 1
12 2809 1 1 10 GLY HA2 H 4.003 -2.801 4.987 1.00 . A A . 10 GLY HA2 1 1
12 2810 1 1 10 GLY HA3 H 5.568 -2.613 4.208 1.00 . A A . 10 GLY HA3 1 1
12 2811 1 1 10 GLY N N 4.890 -4.563 4.359 1.00 . A A . 10 GLY N 1 1
12 2812 1 1 10 GLY O O 4.556 -2.977 1.800 1.00 . A A . 10 GLY O 1 1
12 2813 1 1 11 VAL C C 1.342 -0.852 1.732 1.00 . A A . 11 VAL C 1 1
12 2814 1 1 11 VAL CA C 1.900 -2.269 1.711 1.00 . A A . 11 VAL CA 1 1
12 2815 1 1 11 VAL CB C 0.738 -3.267 1.496 1.00 . A A . 11 VAL CB 1 1
12 2816 1 1 11 VAL CG1 C 0.360 -3.324 0.021 1.00 . A A . 11 VAL CG1 1 1
12 2817 1 1 11 VAL CG2 C 1.097 -4.652 2.013 1.00 . A A . 11 VAL CG2 1 1
12 2818 1 1 11 VAL H H 2.210 -2.491 3.796 1.00 . A A . 11 VAL H 1 1
12 2819 1 1 11 VAL HA H 2.577 -2.359 0.873 1.00 . A A . 11 VAL HA 1 1
12 2820 1 1 11 VAL HB H -0.124 -2.912 2.046 1.00 . A A . 11 VAL HB 1 1
12 2821 1 1 11 VAL HG11 H 0.373 -4.349 -0.316 1.00 . A A . 11 VAL HG11 1 1
12 2822 1 1 11 VAL HG12 H 1.068 -2.744 -0.558 1.00 . A A . 11 VAL HG12 1 1
12 2823 1 1 11 VAL HG13 H -0.630 -2.913 -0.113 1.00 . A A . 11 VAL HG13 1 1
12 2824 1 1 11 VAL HG21 H 1.649 -4.559 2.938 1.00 . A A . 11 VAL HG21 1 1
12 2825 1 1 11 VAL HG22 H 1.703 -5.164 1.282 1.00 . A A . 11 VAL HG22 1 1
12 2826 1 1 11 VAL HG23 H 0.191 -5.215 2.189 1.00 . A A . 11 VAL HG23 1 1
12 2827 1 1 11 VAL N N 2.659 -2.542 2.919 1.00 . A A . 11 VAL N 1 1
12 2828 1 1 11 VAL O O 1.267 -0.210 2.782 1.00 . A A . 11 VAL O 1 1
12 2829 1 1 12 CYS C C -1.033 0.995 0.807 1.00 . A A . 12 CYS C 1 1
12 2830 1 1 12 CYS CA C 0.419 0.943 0.349 1.00 . A A . 12 CYS CA 1 1
12 2831 1 1 12 CYS CB C 0.520 1.204 -1.129 1.00 . A A . 12 CYS CB 1 1
12 2832 1 1 12 CYS H H 1.062 -0.953 -0.230 1.00 . A A . 12 CYS H 1 1
12 2833 1 1 12 CYS HA H 1.001 1.662 0.882 1.00 . A A . 12 CYS HA 1 1
12 2834 1 1 12 CYS HB2 H 1.459 0.809 -1.479 1.00 . A A . 12 CYS HB2 1 1
12 2835 1 1 12 CYS HB3 H -0.266 0.659 -1.598 1.00 . A A . 12 CYS HB3 1 1
12 2836 1 1 12 CYS N N 0.971 -0.377 0.555 1.00 . A A . 12 CYS N 1 1
12 2837 1 1 12 CYS O O -1.956 0.949 -0.012 1.00 . A A . 12 CYS O 1 1
12 2838 1 1 12 CYS SG S 0.417 2.920 -1.644 1.00 . A A . 12 CYS SG 1 1
12 2839 1 1 13 ABA C C -2.785 -0.941 2.577 1.00 . A A . 13 ABA C 1 1
12 2840 1 1 13 ABA CA C -2.560 0.560 2.596 1.00 . A A . 13 ABA CA 1 1
12 2841 1 1 13 ABA CB C -2.810 1.135 4.005 1.00 . A A . 13 ABA CB 1 1
12 2842 1 1 13 ABA CG C -1.990 2.400 4.224 1.00 . A A . 13 ABA CG 1 1
12 2843 1 1 13 ABA H H -0.462 0.631 2.671 1.00 . A A . 13 ABA H 1 1
12 2844 1 1 13 ABA HA H -3.260 1.018 1.912 1.00 . A A . 13 ABA HA 1 1
12 2845 1 1 13 ABA HB3 H -3.854 1.395 4.085 1.00 . A A . 13 ABA HB3 1 1
12 2846 1 1 13 ABA HG1 H -1.654 2.783 3.270 1.00 . A A . 13 ABA HG1 1 1
12 2847 1 1 13 ABA HG2 H -1.135 2.173 4.841 1.00 . A A . 13 ABA HG2 1 1
12 2848 1 1 13 ABA HG3 H -2.600 3.145 4.714 1.00 . A A . 13 ABA HG3 1 1
12 2849 1 1 13 ABA N N -1.233 0.813 2.094 1.00 . A A . 13 ABA N 1 1
12 2850 1 1 13 ABA O O -2.340 -1.677 3.460 1.00 . A A . 13 ABA O 1 1
12 2851 1 1 14 LEU C C -3.205 -2.869 -0.477 1.00 . A A . 14 LEU C 1 1
12 2852 1 1 14 LEU CA C -3.315 -2.771 1.041 1.00 . A A . 14 LEU CA 1 1
12 2853 1 1 14 LEU CB C -4.635 -3.375 1.525 1.00 . A A . 14 LEU CB 1 1
12 2854 1 1 14 LEU CD1 C -4.004 -5.807 1.522 1.00 . A A . 14 LEU CD1 1 1
12 2855 1 1 14 LEU CD2 C -6.400 -5.130 1.304 1.00 . A A . 14 LEU CD2 1 1
12 2856 1 1 14 LEU CG C -4.964 -4.764 0.977 1.00 . A A . 14 LEU CG 1 1
12 2857 1 1 14 LEU H H -3.336 -0.703 0.710 1.00 . A A . 14 LEU H 1 1
12 2858 1 1 14 LEU HA H -2.486 -3.299 1.492 1.00 . A A . 14 LEU HA 1 1
12 2859 1 1 14 LEU HB2 H -4.604 -3.436 2.603 1.00 . A A . 14 LEU HB2 1 1
12 2860 1 1 14 LEU HB3 H -5.430 -2.705 1.244 1.00 . A A . 14 LEU HB3 1 1
12 2861 1 1 14 LEU HD11 H -3.809 -5.607 2.565 1.00 . A A . 14 LEU HD11 1 1
12 2862 1 1 14 LEU HD12 H -3.078 -5.768 0.968 1.00 . A A . 14 LEU HD12 1 1
12 2863 1 1 14 LEU HD13 H -4.443 -6.789 1.420 1.00 . A A . 14 LEU HD13 1 1
12 2864 1 1 14 LEU HD21 H -6.656 -4.745 2.280 1.00 . A A . 14 LEU HD21 1 1
12 2865 1 1 14 LEU HD22 H -6.506 -6.205 1.302 1.00 . A A . 14 LEU HD22 1 1
12 2866 1 1 14 LEU HD23 H -7.058 -4.700 0.564 1.00 . A A . 14 LEU HD23 1 1
12 2867 1 1 14 LEU HG H -4.861 -4.751 -0.100 1.00 . A A . 14 LEU HG 1 1
12 2868 1 1 14 LEU N N -3.224 -1.371 1.414 1.00 . A A . 14 LEU N 1 1
12 2869 1 1 14 LEU O O -2.627 -3.807 -1.023 1.00 . A A . 14 LEU O 1 1
12 2870 1 1 15 ABA C C -4.968 -1.071 -3.119 1.00 . A A . 15 ABA C 1 1
12 2871 1 1 15 ABA CA C -3.713 -1.771 -2.596 1.00 . A A . 15 ABA CA 1 1
12 2872 1 1 15 ABA CB C -2.449 -1.017 -3.086 1.00 . A A . 15 ABA CB 1 1
12 2873 1 1 15 ABA CG C -1.961 -1.598 -4.402 1.00 . A A . 15 ABA CG 1 1
12 2874 1 1 15 ABA H H -4.214 -1.153 -0.643 1.00 . A A . 15 ABA H 1 1
12 2875 1 1 15 ABA HA H -3.683 -2.778 -2.990 1.00 . A A . 15 ABA HA 1 1
12 2876 1 1 15 ABA HB3 H -2.705 0.020 -3.245 1.00 . A A . 15 ABA HB3 1 1
12 2877 1 1 15 ABA HG1 H -1.247 -2.385 -4.208 1.00 . A A . 15 ABA HG1 1 1
12 2878 1 1 15 ABA HG2 H -1.491 -0.821 -4.986 1.00 . A A . 15 ABA HG2 1 1
12 2879 1 1 15 ABA HG3 H -2.800 -2.001 -4.950 1.00 . A A . 15 ABA HG3 1 1
12 2880 1 1 15 ABA N N -3.748 -1.856 -1.146 1.00 . A A . 15 ABA N 1 1
12 2881 1 1 15 ABA O O -5.723 -1.645 -3.904 1.00 . A A . 15 ABA O 1 1
12 2882 1 1 16 DHA C C -7.212 1.439 -2.270 1.00 . A A . 16 DHA C 1 1
12 2883 1 1 16 DHA CA C -6.234 0.914 -3.153 1.00 . A A . 16 DHA CA 1 1
12 2884 1 1 16 DHA CB C -6.332 1.166 -4.466 1.00 . A A . 16 DHA CB 1 1
12 2885 1 1 16 DHA H H -4.493 0.543 -2.077 1.00 . A A . 16 DHA H 1 1
12 2886 1 1 16 DHA HB1 H -5.589 0.776 -5.146 1.00 . A A . 16 DHA HB1 1 1
12 2887 1 1 16 DHA HB2 H -7.130 1.785 -4.839 1.00 . A A . 16 DHA HB2 1 1
12 2888 1 1 16 DHA N N -5.168 0.178 -2.686 1.00 . A A . 16 DHA N 1 1
12 2889 1 1 16 DHA O O -7.912 2.394 -2.606 1.00 . A A . 16 DHA O 1 1
12 2890 1 1 17 GLU C C -7.553 2.455 0.772 1.00 . A A . 17 GLU C 1 1
12 2891 1 1 17 GLU CA C -8.220 1.363 -0.061 1.00 . A A . 17 GLU CA 1 1
12 2892 1 1 17 GLU CB C -8.683 0.213 0.841 1.00 . A A . 17 GLU CB 1 1
12 2893 1 1 17 GLU CD C -11.123 0.849 1.058 1.00 . A A . 17 GLU CD 1 1
12 2894 1 1 17 GLU CG C -9.821 0.581 1.785 1.00 . A A . 17 GLU CG 1 1
12 2895 1 1 17 GLU H H -6.687 0.137 -0.853 1.00 . A A . 17 GLU H 1 1
12 2896 1 1 17 GLU HA H -9.076 1.782 -0.567 1.00 . A A . 17 GLU HA 1 1
12 2897 1 1 17 GLU HB2 H -9.016 -0.604 0.218 1.00 . A A . 17 GLU HB2 1 1
12 2898 1 1 17 GLU HB3 H -7.846 -0.121 1.436 1.00 . A A . 17 GLU HB3 1 1
12 2899 1 1 17 GLU HG2 H -9.974 -0.233 2.479 1.00 . A A . 17 GLU HG2 1 1
12 2900 1 1 17 GLU HG3 H -9.541 1.469 2.332 1.00 . A A . 17 GLU HG3 1 1
12 2901 1 1 17 GLU N N -7.291 0.879 -1.073 1.00 . A A . 17 GLU N 1 1
12 2902 1 1 17 GLU O O -8.191 3.432 1.160 1.00 . A A . 17 GLU O 1 1
12 2903 1 1 17 GLU OE1 O -11.200 1.837 0.300 1.00 . A A . 17 GLU OE1 1 1
12 2904 1 1 17 GLU OE2 O -12.075 0.062 1.232 1.00 . A A . 17 GLU OE2 1 1
12 2905 1 1 18 CYS C C -5.020 4.399 0.523 1.00 . A A . 18 CYS C 1 1
12 2906 1 1 18 CYS CA C -5.458 3.397 1.569 1.00 . A A . 18 CYS CA 1 1
12 2907 1 1 18 CYS CB C -4.203 2.845 2.242 1.00 . A A . 18 CYS CB 1 1
12 2908 1 1 18 CYS H H -5.771 1.590 0.514 1.00 . A A . 18 CYS H 1 1
12 2909 1 1 18 CYS HA H -6.081 3.888 2.303 1.00 . A A . 18 CYS HA 1 1
12 2910 1 1 18 CYS HB2 H -3.535 2.497 1.467 1.00 . A A . 18 CYS HB2 1 1
12 2911 1 1 18 CYS HB3 H -3.717 3.653 2.767 1.00 . A A . 18 CYS HB3 1 1
12 2912 1 1 18 CYS N N -6.236 2.347 0.925 1.00 . A A . 18 CYS N 1 1
12 2913 1 1 18 CYS O O -5.655 5.434 0.326 1.00 . A A . 18 CYS O 1 1
12 2914 1 1 18 CYS SG S -4.492 1.498 3.417 1.00 . A A . 18 CYS SG 1 1
12 2915 1 1 19 ILE C C -3.688 4.388 -2.573 1.00 . A A . 19 ILE C 1 1
12 2916 1 1 19 ILE CA C -3.397 4.945 -1.179 1.00 . A A . 19 ILE CA 1 1
12 2917 1 1 19 ILE CB C -1.881 5.178 -1.007 1.00 . A A . 19 ILE CB 1 1
12 2918 1 1 19 ILE CD1 C -2.214 6.851 0.902 1.00 . A A . 19 ILE CD1 1 1
12 2919 1 1 19 ILE CG1 C -1.553 5.566 0.442 1.00 . A A . 19 ILE CG1 1 1
12 2920 1 1 19 ILE CG2 C -1.401 6.262 -1.964 1.00 . A A . 19 ILE CG2 1 1
12 2921 1 1 19 ILE H H -3.467 3.234 0.046 1.00 . A A . 19 ILE H 1 1
12 2922 1 1 19 ILE HA H -3.895 5.888 -1.068 1.00 . A A . 19 ILE HA 1 1
12 2923 1 1 19 ILE HB H -1.368 4.261 -1.253 1.00 . A A . 19 ILE HB 1 1
12 2924 1 1 19 ILE HD11 H -2.278 6.856 1.980 1.00 . A A . 19 ILE HD11 1 1
12 2925 1 1 19 ILE HD12 H -3.207 6.913 0.482 1.00 . A A . 19 ILE HD12 1 1
12 2926 1 1 19 ILE HD13 H -1.629 7.698 0.572 1.00 . A A . 19 ILE HD13 1 1
12 2927 1 1 19 ILE HG12 H -1.879 4.776 1.100 1.00 . A A . 19 ILE HG12 1 1
12 2928 1 1 19 ILE HG13 H -0.483 5.691 0.540 1.00 . A A . 19 ILE HG13 1 1
12 2929 1 1 19 ILE HG21 H -1.255 7.183 -1.420 1.00 . A A . 19 ILE HG21 1 1
12 2930 1 1 19 ILE HG22 H -2.141 6.412 -2.739 1.00 . A A . 19 ILE HG22 1 1
12 2931 1 1 19 ILE HG23 H -0.467 5.956 -2.413 1.00 . A A . 19 ILE HG23 1 1
12 2932 1 1 19 ILE N N -3.931 4.072 -0.159 1.00 . A A . 19 ILE N 1 1
12 2933 1 1 19 ILE O O -4.633 4.820 -3.232 1.00 . A A . 19 ILE O 1 1
12 2934 1 1 20 TEE CA C -3.124 2.856 -4.249 1.00 . A A . 20 TEE CA 1 1
12 2935 1 1 20 TEE CB C -3.023 1.461 -4.438 1.00 . A A . 20 TEE CB 1 1
12 2936 1 1 20 TEE HA H -4.169 2.594 -4.388 1.00 . A A . 20 TEE HA 1 1
12 2937 1 1 20 TEE HB2 H -3.799 0.927 -4.972 1.00 . A A . 20 TEE HB2 1 1
12 2938 1 1 20 TEE HN1 H -2.181 3.107 -2.404 1.00 . A A . 20 TEE HN1 1 1
12 2939 1 1 20 TEE N N -2.899 3.404 -3.006 1.00 . A A . 20 TEE N 1 1
12 2940 1 1 20 TEE SG S -2.115 0.761 -3.044 1.00 . A A . 20 TEE SG 1 1
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