NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
406866 |
1xy4   |
6422 | cing | 4-filtered-FRED | STAR | entry | full | 142 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1xy4
# This FRED archive file contains, for PDB entry <1xy4>:
#
# - 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_1xy4
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1xy4
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 1623.94
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 $SST1_selective_somatosatin_analog A . 1 1
stop_
save_
save_SST1_selective_somatosatin_analog
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "SST1 selective somatosatin analog"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code YCKXFXXTFKSC
_Entity.Number_of_monomers 12
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 TYR . 1 1
2 CYS . 1 1
3 LYS . 1 1
4 . $. 1 1
5 PHE . 1 1
6 DTR $DTR 1 1
7 IAM $IAM 1 1
8 THR . 1 1
9 PHE . 1 1
10 LYS . 1 1
11 SER . 1 1
12 CYS . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
TYR 1 1 1 1
CYS 2 2 1 1
LYS 3 3 1 1
. 4 4 1 1
PHE 5 5 1 1
DTR 6 6 1 1
IAM 7 7 1 1
THR 8 8 1 1
PHE 9 9 1 1
LYS 10 10 1 1
SER 11 11 1 1
CYS 12 12 1 1
stop_
save_
save_IAM
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID IAM
_Chem_comp.Type non-polymer
save_
save_DTR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DTR
_Chem_comp.Type non-polymer
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
122 1 . . . 1 1
123 1 . . . 1 1
124 1 . . . 1 1
125 1 . . . 1 1
126 1 . . . 1 1
127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
130 1 . . . 1 1
131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
135 1 . . . 1 1
136 1 . . . 1 1
137 1 . . . 1 1
138 1 . . . 1 1
139 1 . . . 1 1
140 1 . . . 1 1
141 1 . . . 1 1
142 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 TYR HA . 1 TYR HA 1 1
1 1 2 1 1 1 TYR HB2 . 1 TYR HB2 1 1
2 1 1 1 1 1 TYR HA . 1 TYR HA 1 1
2 1 2 1 1 1 TYR QB . 1 TYR QB 1 1
3 1 1 1 1 1 TYR HA . 1 TYR HA 1 1
3 1 2 1 1 1 TYR HB3 . 1 TYR HB3 1 1
4 1 1 1 1 1 TYR HA . 1 TYR HA 1 1
4 1 2 1 1 2 CYS H . 2 CYSS HN 1 1
5 1 1 1 1 1 TYR QB . 1 TYR QB 1 1
5 1 2 1 1 2 CYS H . 2 CYSS HN 1 1
6 1 1 1 1 1 TYR QB . 1 TYR QB 1 1
6 1 2 1 1 3 LYS H . 3 LYS HN 1 1
7 1 1 1 1 1 TYR HB2 . 1 TYR HB2 1 1
7 1 2 1 1 2 CYS H . 2 CYSS HN 1 1
8 1 1 1 1 1 TYR HB3 . 1 TYR HB3 1 1
8 1 2 1 1 2 CYS H . 2 CYSS HN 1 1
9 1 1 1 1 1 TYR QD . 1 TYR QD 1 1
9 1 2 1 1 2 CYS H . 2 CYSS HN 1 1
10 1 1 1 1 1 TYR QD . 1 TYR QD 1 1
10 1 2 1 1 3 LYS HA . 3 LYS HA 1 1
11 1 1 1 1 1 TYR QD . 1 TYR QD 1 1
11 1 2 1 1 3 LYS QD . 3 LYS QD 1 1
12 1 1 1 1 1 TYR QD . 1 TYR QD 1 1
12 1 2 1 1 3 LYS QG . 3 LYS QG 1 1
13 1 1 1 1 1 TYR QE . 1 TYR QE 1 1
13 1 2 1 1 3 LYS HA . 3 LYS HA 1 1
14 1 1 1 1 1 TYR QE . 1 TYR QE 1 1
14 1 2 1 1 3 LYS QB . 3 LYS QB 1 1
15 1 1 1 1 1 TYR QE . 1 TYR QE 1 1
15 1 2 1 1 3 LYS QD . 3 LYS QD 1 1
16 1 1 1 1 1 TYR QE . 1 TYR QE 1 1
16 1 2 1 1 3 LYS HG2 . 3 LYS HG2 1 1
17 1 1 1 1 1 TYR QE . 1 TYR QE 1 1
17 1 2 1 1 3 LYS QG . 3 LYS QG 1 1
18 1 1 1 1 1 TYR QE . 1 TYR QE 1 1
18 1 2 1 1 3 LYS HG3 . 3 LYS HG3 1 1
19 1 1 1 1 2 CYS H . 2 CYSS HN 1 1
19 1 2 1 1 2 CYS HA . 2 CYSS HA 1 1
20 1 1 1 1 2 CYS H . 2 CYSS HN 1 1
20 1 2 1 1 2 CYS HB2 . 2 CYSS HB2 1 1
21 1 1 1 1 2 CYS H . 2 CYSS HN 1 1
21 1 2 1 1 2 CYS QB . 2 CYSS QB 1 1
22 1 1 1 1 2 CYS H . 2 CYSS HN 1 1
22 1 2 1 1 2 CYS HB3 . 2 CYSS HB3 1 1
23 1 1 1 1 2 CYS H . 2 CYSS HN 1 1
23 1 2 1 1 3 LYS H . 3 LYS HN 1 1
24 1 1 1 1 2 CYS H . 2 CYSS HN 1 1
24 1 2 1 1 3 LYS QB . 3 LYS QB 1 1
25 1 1 1 1 2 CYS H . 2 CYSS HN 1 1
25 1 2 1 1 3 LYS QG . 3 LYS QG 1 1
26 1 1 1 1 2 CYS H . 2 CYSS HN 1 1
26 1 2 1 1 12 CYS HA . 12 CYSS HA 1 1
27 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1
27 1 2 1 1 2 CYS QB . 2 CYSS QB 1 1
28 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1
28 1 2 1 1 3 LYS H . 3 LYS HN 1 1
29 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1
29 1 2 1 1 3 LYS HA . 3 LYS HA 1 1
30 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1
30 1 2 1 1 3 LYS QB . 3 LYS QB 1 1
31 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1
31 1 2 1 1 3 LYS HG2 . 3 LYS HG2 1 1
32 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1
32 1 2 1 1 3 LYS QG . 3 LYS QG 1 1
33 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1
33 1 2 1 1 3 LYS HG3 . 3 LYS HG3 1 1
34 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1
34 1 2 1 1 12 CYS HA . 12 CYSS HA 1 1
35 1 1 1 1 2 CYS QB . 2 CYSS QB 1 1
35 1 2 1 1 3 LYS H . 3 LYS HN 1 1
36 1 1 1 1 2 CYS HB2 . 2 CYSS HB2 1 1
36 1 2 1 1 3 LYS H . 3 LYS HN 1 1
37 1 1 1 1 2 CYS HB2 . 2 CYSS HB2 1 1
37 1 2 1 1 3 LYS HA . 3 LYS HA 1 1
38 1 1 1 1 2 CYS HB3 . 2 CYSS HB3 1 1
38 1 2 1 1 3 LYS H . 3 LYS HN 1 1
39 1 1 1 1 2 CYS HB3 . 2 CYSS HB3 1 1
39 1 2 1 1 3 LYS HA . 3 LYS HA 1 1
40 1 1 1 1 3 LYS H . 3 LYS HN 1 1
40 1 2 1 1 3 LYS QB . 3 LYS QB 1 1
41 1 1 1 1 3 LYS H . 3 LYS HN 1 1
41 1 2 1 1 3 LYS QD . 3 LYS QD 1 1
42 1 1 1 1 3 LYS H . 3 LYS HN 1 1
42 1 2 1 1 3 LYS HG2 . 3 LYS HG2 1 1
43 1 1 1 1 3 LYS H . 3 LYS HN 1 1
43 1 2 1 1 3 LYS HG3 . 3 LYS HG3 1 1
44 1 1 1 1 3 LYS H . 3 LYS HN 1 1
44 1 2 1 1 10 LYS QD . 10 KBR QD 1 1
45 1 1 1 1 3 LYS H . 3 LYS HN 1 1
45 1 2 1 1 11 SER H . 11 SER HN 1 1
46 1 1 1 1 3 LYS H . 3 LYS HN 1 1
46 1 2 1 1 11 SER QB . 11 SER QB 1 1
47 1 1 1 1 3 LYS H . 3 LYS HN 1 1
47 1 2 1 1 12 CYS HA . 12 CYSS HA 1 1
48 1 1 1 1 3 LYS HA . 3 LYS HA 1 1
48 1 2 1 1 3 LYS HG2 . 3 LYS HG2 1 1
49 1 1 1 1 3 LYS HA . 3 LYS HA 1 1
49 1 2 1 1 3 LYS QG . 3 LYS QG 1 1
50 1 1 1 1 3 LYS HA . 3 LYS HA 1 1
50 1 2 1 1 3 LYS HG3 . 3 LYS HG3 1 1
51 1 1 1 1 3 LYS HA . 3 LYS HA 1 1
51 1 2 1 1 11 SER QB . 11 SER QB 1 1
52 1 1 1 1 3 LYS QB . 3 LYS QB 1 1
52 1 2 1 1 5 PHE QD . 5 PHE QD 1 1
53 1 1 1 1 3 LYS QB . 3 LYS QB 1 1
53 1 2 1 1 5 PHE QE . 5 PHE QE 1 1
54 1 1 1 1 3 LYS QB . 3 LYS QB 1 1
54 1 2 1 1 9 PHE QD . 9 PHE QD 1 1
55 1 1 1 1 3 LYS QB . 3 LYS QB 1 1
55 1 2 1 1 9 PHE QE . 9 PHE QE 1 1
56 1 1 1 1 3 LYS QB . 3 LYS QB 1 1
56 1 2 1 1 11 SER H . 11 SER HN 1 1
57 1 1 1 1 3 LYS QD . 3 LYS QD 1 1
57 1 2 1 1 5 PHE QE . 5 PHE QE 1 1
58 1 1 1 1 3 LYS QG . 3 LYS QG 1 1
58 1 2 1 1 5 PHE QE . 5 PHE QE 1 1
59 1 1 1 1 3 LYS QG . 3 LYS QG 1 1
59 1 2 1 1 9 PHE QD . 9 PHE QD 1 1
60 1 1 1 1 3 LYS QG . 3 LYS QG 1 1
60 1 2 1 1 9 PHE QE . 9 PHE QE 1 1
61 1 1 1 1 5 PHE H . 5 PHE HN 1 1
61 1 2 1 1 5 PHE HB2 . 5 PHE HB2 1 1
62 1 1 1 1 5 PHE H . 5 PHE HN 1 1
62 1 2 1 1 5 PHE QB . 5 PHE QB 1 1
63 1 1 1 1 5 PHE H . 5 PHE HN 1 1
63 1 2 1 1 5 PHE HB3 . 5 PHE HB3 1 1
64 1 1 1 1 5 PHE HA . 5 PHE HA 1 1
64 1 2 1 1 6 DTR HD1 . 6 DTRP HD1 1 1
65 1 1 1 1 5 PHE HA . 5 PHE HA 1 1
65 1 2 1 1 8 THR MG . 8 THR QG2 1 1
66 1 1 1 1 5 PHE HA . 5 PHE HA 1 1
66 1 2 1 1 11 SER QB . 11 SER QB 1 1
67 1 1 1 1 5 PHE QB . 5 PHE QB 1 1
67 1 2 1 1 6 DTR HA . 6 DTRP HA 1 1
68 1 1 1 1 5 PHE QB . 5 PHE QB 1 1
68 1 2 1 1 9 PHE H . 9 PHE HN 1 1
69 1 1 1 1 5 PHE HB2 . 5 PHE HB2 1 1
69 1 2 1 1 9 PHE H . 9 PHE HN 1 1
70 1 1 1 1 5 PHE HB2 . 5 PHE HB2 1 1
70 1 2 1 1 9 PHE QD . 9 PHE QD 1 1
71 1 1 1 1 5 PHE HB2 . 5 PHE HB2 1 1
71 1 2 1 1 9 PHE QE . 9 PHE QE 1 1
72 1 1 1 1 5 PHE HB3 . 5 PHE HB3 1 1
72 1 2 1 1 9 PHE H . 9 PHE HN 1 1
73 1 1 1 1 5 PHE HB3 . 5 PHE HB3 1 1
73 1 2 1 1 9 PHE QD . 9 PHE QD 1 1
74 1 1 1 1 5 PHE HB3 . 5 PHE HB3 1 1
74 1 2 1 1 9 PHE QE . 9 PHE QE 1 1
75 1 1 1 1 5 PHE QD . 5 PHE QD 1 1
75 1 2 1 1 8 THR MG . 8 THR QG2 1 1
76 1 1 1 1 5 PHE QD . 5 PHE QD 1 1
76 1 2 1 1 9 PHE QB . 9 PHE QB 1 1
77 1 1 1 1 5 PHE QD . 5 PHE QD 1 1
77 1 2 1 1 11 SER QB . 11 SER QB 1 1
78 1 1 1 1 5 PHE QE . 5 PHE QE 1 1
78 1 2 1 1 8 THR MG . 8 THR QG2 1 1
79 1 1 1 1 5 PHE QE . 5 PHE QE 1 1
79 1 2 1 1 11 SER QB . 11 SER QB 1 1
80 1 1 1 1 5 PHE HZ . 5 PHE HZ 1 1
80 1 2 1 1 8 THR MG . 8 THR QG2 1 1
81 1 1 1 1 6 DTR HA . 6 DTRP HA 1 1
81 1 2 1 1 6 DTR HD1 . 6 DTRP HD1 1 1
82 1 1 1 1 6 DTR HA . 6 DTRP HA 1 1
82 1 2 1 1 6 DTR HE3 . 6 DTRP HE3 1 1
83 1 1 1 1 6 DTR HA . 6 DTRP HA 1 1
83 1 2 1 1 8 THR H . 8 THR HN 1 1
84 1 1 1 1 6 DTR HA . 6 DTRP HA 1 1
84 1 2 1 1 8 THR MG . 8 THR QG2 1 1
85 1 1 1 1 7 IAM HA . 7 IAMP HA 1 1
85 1 2 1 1 8 THR H . 8 THR HN 1 1
86 1 1 1 1 7 IAM HA . 7 IAMP HA 1 1
86 1 2 1 1 8 THR MG . 8 THR QG2 1 1
87 1 1 1 1 8 THR H . 8 THR HN 1 1
87 1 2 1 1 8 THR HB . 8 THR HB 1 1
88 1 1 1 1 8 THR H . 8 THR HN 1 1
88 1 2 1 1 8 THR MG . 8 THR QG2 1 1
89 1 1 1 1 8 THR H . 8 THR HN 1 1
89 1 2 1 1 10 LYS QD . 10 KBR QD 1 1
90 1 1 1 1 8 THR H . 8 THR HN 1 1
90 1 2 1 1 10 LYS QG . 10 KBR QG 1 1
91 1 1 1 1 8 THR HA . 8 THR HA 1 1
91 1 2 1 1 8 THR HB . 8 THR HB 1 1
92 1 1 1 1 8 THR HA . 8 THR HA 1 1
92 1 2 1 1 8 THR MG . 8 THR QG2 1 1
93 1 1 1 1 8 THR HA . 8 THR HA 1 1
93 1 2 1 1 9 PHE H . 9 PHE HN 1 1
94 1 1 1 1 8 THR HA . 8 THR HA 1 1
94 1 2 1 1 9 PHE QB . 9 PHE QB 1 1
95 1 1 1 1 8 THR HA . 8 THR HA 1 1
95 1 2 1 1 9 PHE QD . 9 PHE QD 1 1
96 1 1 1 1 8 THR HB . 8 THR HB 1 1
96 1 2 1 1 9 PHE H . 9 PHE HN 1 1
97 1 1 1 1 8 THR HB . 8 THR HB 1 1
97 1 2 1 1 9 PHE QD . 9 PHE QD 1 1
98 1 1 1 1 8 THR MG . 8 THR QG2 1 1
98 1 2 1 1 9 PHE HA . 9 PHE HA 1 1
99 1 1 1 1 8 THR MG . 8 THR QG2 1 1
99 1 2 1 1 9 PHE QB . 9 PHE QB 1 1
100 1 1 1 1 8 THR MG . 8 THR QG2 1 1
100 1 2 1 1 9 PHE QD . 9 PHE QD 1 1
101 1 1 1 1 8 THR MG . 8 THR QG2 1 1
101 1 2 1 1 9 PHE QE . 9 PHE QE 1 1
102 1 1 1 1 8 THR MG . 8 THR QG2 1 1
102 1 2 1 1 10 LYS H . 10 KBR HN 1 1
103 1 1 1 1 8 THR MG . 8 THR QG2 1 1
103 1 2 1 1 10 LYS HA . 10 KBR HA 1 1
104 1 1 1 1 8 THR MG . 8 THR QG2 1 1
104 1 2 1 1 11 SER H . 11 SER HN 1 1
105 1 1 1 1 9 PHE H . 9 PHE HN 1 1
105 1 2 1 1 9 PHE HA . 9 PHE HA 1 1
106 1 1 1 1 9 PHE H . 9 PHE HN 1 1
106 1 2 1 1 9 PHE HB2 . 9 PHE HB2 1 1
107 1 1 1 1 9 PHE H . 9 PHE HN 1 1
107 1 2 1 1 9 PHE QB . 9 PHE QB 1 1
108 1 1 1 1 9 PHE H . 9 PHE HN 1 1
108 1 2 1 1 9 PHE HB3 . 9 PHE HB3 1 1
109 1 1 1 1 9 PHE H . 9 PHE HN 1 1
109 1 2 1 1 10 LYS H . 10 KBR HN 1 1
110 1 1 1 1 9 PHE HA . 9 PHE HA 1 1
110 1 2 1 1 9 PHE QB . 9 PHE QB 1 1
111 1 1 1 1 9 PHE HA . 9 PHE HA 1 1
111 1 2 1 1 10 LYS H . 10 KBR HN 1 1
112 1 1 1 1 9 PHE QB . 9 PHE QB 1 1
112 1 2 1 1 10 LYS H . 10 KBR HN 1 1
113 1 1 1 1 9 PHE QB . 9 PHE QB 1 1
113 1 2 1 1 10 LYS HA . 10 KBR HA 1 1
114 1 1 1 1 9 PHE HB2 . 9 PHE HB2 1 1
114 1 2 1 1 10 LYS H . 10 KBR HN 1 1
115 1 1 1 1 9 PHE HB3 . 9 PHE HB3 1 1
115 1 2 1 1 10 LYS H . 10 KBR HN 1 1
116 1 1 1 1 9 PHE QD . 9 PHE QD 1 1
116 1 2 1 1 11 SER QB . 11 SER QB 1 1
117 1 1 1 1 9 PHE QE . 9 PHE QE 1 1
117 1 2 1 1 11 SER QB . 11 SER QB 1 1
118 1 1 1 1 10 LYS H . 10 KBR HN 1 1
118 1 2 1 1 10 LYS HB2 . 10 KBR HB2 1 1
119 1 1 1 1 10 LYS H . 10 KBR HN 1 1
119 1 2 1 1 10 LYS QB . 10 KBR QB 1 1
120 1 1 1 1 10 LYS H . 10 KBR HN 1 1
120 1 2 1 1 10 LYS HB3 . 10 KBR HB3 1 1
121 1 1 1 1 10 LYS H . 10 KBR HN 1 1
121 1 2 1 1 10 LYS QD . 10 KBR QD 1 1
122 1 1 1 1 10 LYS HA . 10 KBR HA 1 1
122 1 2 1 1 10 LYS QB . 10 KBR QB 1 1
123 1 1 1 1 10 LYS HA . 10 KBR HA 1 1
123 1 2 1 1 10 LYS QD . 10 KBR QD 1 1
124 1 1 1 1 10 LYS HA . 10 KBR HA 1 1
124 1 2 1 1 11 SER H . 11 SER HN 1 1
125 1 1 1 1 10 LYS HA . 10 KBR HA 1 1
125 1 2 1 1 11 SER QB . 11 SER QB 1 1
126 1 1 1 1 10 LYS QB . 10 KBR QB 1 1
126 1 2 1 1 10 LYS QE . 10 KBR QE 1 1
127 1 1 1 1 10 LYS QB . 10 KBR QB 1 1
127 1 2 1 1 11 SER H . 11 SER HN 1 1
128 1 1 1 1 10 LYS HB2 . 10 KBR HB2 1 1
128 1 2 1 1 10 LYS HE2 . 10 KBR HE2 1 1
129 1 1 1 1 10 LYS HB2 . 10 KBR HB2 1 1
129 1 2 1 1 10 LYS HE3 . 10 KBR HE3 1 1
130 1 1 1 1 10 LYS HB2 . 10 KBR HB2 1 1
130 1 2 1 1 11 SER H . 11 SER HN 1 1
131 1 1 1 1 10 LYS HB2 . 10 KBR HB2 1 1
131 1 2 1 1 11 SER HA . 11 SER HA 1 1
132 1 1 1 1 10 LYS HB3 . 10 KBR HB3 1 1
132 1 2 1 1 10 LYS HE2 . 10 KBR HE2 1 1
133 1 1 1 1 10 LYS HB3 . 10 KBR HB3 1 1
133 1 2 1 1 10 LYS HE3 . 10 KBR HE3 1 1
134 1 1 1 1 10 LYS HB3 . 10 KBR HB3 1 1
134 1 2 1 1 11 SER H . 11 SER HN 1 1
135 1 1 1 1 10 LYS HB3 . 10 KBR HB3 1 1
135 1 2 1 1 11 SER HA . 11 SER HA 1 1
136 1 1 1 1 10 LYS QD . 10 KBR QD 1 1
136 1 2 1 1 11 SER H . 11 SER HN 1 1
137 1 1 1 1 10 LYS QD . 10 KBR QD 1 1
137 1 2 1 1 11 SER HA . 11 SER HA 1 1
138 1 1 1 1 10 LYS HE2 . 10 KBR HE2 1 1
138 1 2 1 1 10 LYS QG . 10 KBR QG 1 1
139 1 1 1 1 10 LYS HE3 . 10 KBR HE3 1 1
139 1 2 1 1 10 LYS QG . 10 KBR QG 1 1
140 1 1 1 1 10 LYS QG . 10 KBR QG 1 1
140 1 2 1 1 11 SER H . 11 SER HN 1 1
141 1 1 1 1 11 SER H . 11 SER HN 1 1
141 1 2 1 1 11 SER QB . 11 SER QB 1 1
142 1 1 1 1 12 CYS H . 12 CYSS HN 1 1
142 1 2 1 1 12 CYS HA . 12 CYSS HA 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 2.83 1 1
2 1 . . . . . . . 2.57 1 1
3 1 . . . . . . . 2.83 1 1
4 1 . . . . . . . 2.8 1 1
5 1 . . . . . . . 2.7 1 1
6 1 . . . . . . . 5.54 1 1
7 1 . . . . . . . 2.9 1 1
8 1 . . . . . . . 2.9 1 1
9 1 . . . . . . . 7.64 1 1
10 1 . . . . . . . 7.64 1 1
11 1 . . . . . . . 8.52 1 1
12 1 . . . . . . . 8.52 1 1
13 1 . . . . . . . 7.63 1 1
14 1 . . . . . . . 8.51 1 1
15 1 . . . . . . . 8.51 1 1
16 1 . . . . . . . 7.63 1 1
17 1 . . . . . . . 7.4 1 1
18 1 . . . . . . . 7.63 1 1
19 1 . . . . . . . 2.9 1 1
20 1 . . . . . . . 3.7 1 1
21 1 . . . . . . . 3.15 1 1
22 1 . . . . . . . 3.7 1 1
23 1 . . . . . . . 5.47 1 1
24 1 . . . . . . . 5.73 1 1
25 1 . . . . . . . 6.19 1 1
26 1 . . . . . . . 4.11 1 1
27 1 . . . . . . . 2.62 1 1
28 1 . . . . . . . 2.56 1 1
29 1 . . . . . . . 4.63 1 1
30 1 . . . . . . . 4.45 1 1
31 1 . . . . . . . 5.47 1 1
32 1 . . . . . . . 4.84 1 1
33 1 . . . . . . . 5.47 1 1
34 1 . . . . . . . 2.52 1 1
35 1 . . . . . . . 4.05 1 1
36 1 . . . . . . . 4.54 1 1
37 1 . . . . . . . 5.5 1 1
38 1 . . . . . . . 4.54 1 1
39 1 . . . . . . . 5.5 1 1
40 1 . . . . . . . 3.4 1 1
41 1 . . . . . . . 4.89 1 1
42 1 . . . . . . . 3.08 1 1
43 1 . . . . . . . 3.08 1 1
44 1 . . . . . . . 6.38 1 1
45 1 . . . . . . . 2.83 1 1
46 1 . . . . . . . 6.38 1 1
47 1 . . . . . . . 3.24 1 1
48 1 . . . . . . . 3.67 1 1
49 1 . . . . . . . 3.49 1 1
50 1 . . . . . . . 3.67 1 1
51 1 . . . . . . . 6.38 1 1
52 1 . . . . . . . 8.5 1 1
53 1 . . . . . . . 8.03 1 1
54 1 . . . . . . . 8.5 1 1
55 1 . . . . . . . 8.5 1 1
56 1 . . . . . . . 5.11 1 1
57 1 . . . . . . . 8.5 1 1
58 1 . . . . . . . 8.5 1 1
59 1 . . . . . . . 8.5 1 1
60 1 . . . . . . . 8.5 1 1
61 1 . . . . . . . 4.14 1 1
62 1 . . . . . . . 3.61 1 1
63 1 . . . . . . . 4.14 1 1
64 1 . . . . . . . 5.5 1 1
65 1 . . . . . . . 5.38 1 1
66 1 . . . . . . . 6.28 1 1
67 1 . . . . . . . 4.45 1 1
68 1 . . . . . . . 4.99 1 1
69 1 . . . . . . . 5.5 1 1
70 1 . . . . . . . 7.62 1 1
71 1 . . . . . . . 7.62 1 1
72 1 . . . . . . . 5.5 1 1
73 1 . . . . . . . 7.62 1 1
74 1 . . . . . . . 7.62 1 1
75 1 . . . . . . . 8.65 1 1
76 1 . . . . . . . 8.5 1 1
77 1 . . . . . . . 8.5 1 1
78 1 . . . . . . . 8.65 1 1
79 1 . . . . . . . 8.5 1 1
80 1 . . . . . . . 6.53 1 1
81 1 . . . . . . . 4.45 1 1
82 1 . . . . . . . 5.38 1 1
83 1 . . . . . . . 4.63 1 1
84 1 . . . . . . . 6.0 1 1
85 1 . . . . . . . 3.11 1 1
86 1 . . . . . . . 5.23 1 1
87 1 . . . . . . . 3.11 1 1
88 1 . . . . . . . 3.49 1 1
89 1 . . . . . . . 5.14 1 1
90 1 . . . . . . . 5.07 1 1
91 1 . . . . . . . 2.9 1 1
92 1 . . . . . . . 3.43 1 1
93 1 . . . . . . . 3.11 1 1
94 1 . . . . . . . 5.51 1 1
95 1 . . . . . . . 7.62 1 1
96 1 . . . . . . . 3.33 1 1
97 1 . . . . . . . 7.62 1 1
98 1 . . . . . . . 5.54 1 1
99 1 . . . . . . . 5.64 1 1
100 1 . . . . . . . 7.41 1 1
101 1 . . . . . . . 8.62 1 1
102 1 . . . . . . . 5.38 1 1
103 1 . . . . . . . 6.37 1 1
104 1 . . . . . . . 6.53 1 1
105 1 . . . . . . . 2.93 1 1
106 1 . . . . . . . 3.48 1 1
107 1 . . . . . . . 3.17 1 1
108 1 . . . . . . . 3.48 1 1
109 1 . . . . . . . 5.5 1 1
110 1 . . . . . . . 2.65 1 1
111 1 . . . . . . . 2.74 1 1
112 1 . . . . . . . 3.28 1 1
113 1 . . . . . . . 5.04 1 1
114 1 . . . . . . . 3.7 1 1
115 1 . . . . . . . 3.7 1 1
116 1 . . . . . . . 8.5 1 1
117 1 . . . . . . . 8.5 1 1
118 1 . . . . . . . 3.7 1 1
119 1 . . . . . . . 3.31 1 1
120 1 . . . . . . . 3.7 1 1
121 1 . . . . . . . 5.01 1 1
122 1 . . . . . . . 2.66 1 1
123 1 . . . . . . . 3.52 1 1
124 1 . . . . . . . 2.43 1 1
125 1 . . . . . . . 4.8 1 1
126 1 . . . . . . . 3.94 1 1
127 1 . . . . . . . 3.84 1 1
128 1 . . . . . . . 4.96 1 1
129 1 . . . . . . . 4.96 1 1
130 1 . . . . . . . 4.17 1 1
131 1 . . . . . . . 5.5 1 1
132 1 . . . . . . . 4.96 1 1
133 1 . . . . . . . 4.96 1 1
134 1 . . . . . . . 4.17 1 1
135 1 . . . . . . . 5.5 1 1
136 1 . . . . . . . 5.97 1 1
137 1 . . . . . . . 6.38 1 1
138 1 . . . . . . . 3.28 1 1
139 1 . . . . . . . 3.28 1 1
140 1 . . . . . . . 5.91 1 1
141 1 . . . . . . . 3.9 1 1
142 1 . . . . . . . 2.8 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 TYR C C -3.470 -7.298 1.323 1.00 . A A . 1 TYR C 1 1
1 2 1 1 1 TYR CA C -4.504 -8.378 0.992 1.00 . A A . 1 TYR CA 1 1
1 3 1 1 1 TYR CB C -4.993 -8.176 -0.444 1.00 . A A . 1 TYR CB 1 1
1 4 1 1 1 TYR CD1 C -6.642 -6.274 -0.301 1.00 . A A . 1 TYR CD1 1 1
1 5 1 1 1 TYR CD2 C -7.462 -8.443 -0.880 1.00 . A A . 1 TYR CD2 1 1
1 6 1 1 1 TYR CE1 C -7.978 -5.743 -0.395 1.00 . A A . 1 TYR CE1 1 1
1 7 1 1 1 TYR CE2 C -8.798 -7.913 -0.974 1.00 . A A . 1 TYR CE2 1 1
1 8 1 1 1 TYR CG C -6.412 -7.613 -0.544 1.00 . A A . 1 TYR CG 1 1
1 9 1 1 1 TYR CZ C -8.989 -6.590 -0.729 1.00 . A A . 1 TYR CZ 1 1
1 10 1 1 1 TYR H1 H -6.186 -9.147 1.858 1.00 . A A . 1 TYR H1 1 1
1 11 1 1 1 TYR H2 H -5.389 -7.998 2.793 1.00 . A A . 1 TYR H2 1 1
1 12 1 1 1 TYR H3 H -5.647 -7.498 2.496 1.00 . A A . 1 TYR H3 1 1
1 13 1 1 1 TYR HA H -4.064 -9.360 1.172 1.00 . A A . 1 TYR HA 1 1
1 14 1 1 1 TYR HB2 H -4.309 -7.500 -0.959 1.00 . A A . 1 TYR HB2 1 1
1 15 1 1 1 TYR HB3 H -4.954 -9.130 -0.969 1.00 . A A . 1 TYR HB3 1 1
1 16 1 1 1 TYR HD1 H -5.813 -5.618 -0.037 1.00 . A A . 1 TYR HD1 1 1
1 17 1 1 1 TYR HD2 H -7.280 -9.500 -1.072 1.00 . A A . 1 TYR HD2 1 1
1 18 1 1 1 TYR HE1 H -8.174 -4.689 -0.205 1.00 . A A . 1 TYR HE1 1 1
1 19 1 1 1 TYR HE2 H -9.636 -8.559 -1.238 1.00 . A A . 1 TYR HE2 1 1
1 20 1 1 1 TYR HH H -10.228 -5.090 -0.751 1.00 . A A . 1 TYR HH 1 1
1 21 1 1 1 TYR N N -5.679 -8.250 1.838 1.00 . A A . 1 TYR N 1 1
1 22 1 1 1 TYR O O -3.562 -6.644 2.360 1.00 . A A . 1 TYR O 1 1
1 23 1 1 1 TYR OH O -10.250 -6.088 -0.819 1.00 . A A . 1 TYR OH 1 1
1 24 1 1 2 CYS C C -1.984 -4.807 0.118 1.00 . A A . 2 CYS C 1 1
1 25 1 1 2 CYS CA C -1.462 -6.160 0.605 1.00 . A A . 2 CYS CA 1 1
1 26 1 1 2 CYS CB C -0.172 -6.565 -0.112 1.00 . A A . 2 CYS CB 1 1
1 27 1 1 2 CYS H H -2.443 -7.686 -0.419 1.00 . A A . 2 CYS H 1 1
1 28 1 1 2 CYS HA H -1.243 -6.129 1.672 1.00 . A A . 2 CYS HA 1 1
1 29 1 1 2 CYS HB2 H -0.295 -6.385 -1.180 1.00 . A A . 2 CYS HB2 1 1
1 30 1 1 2 CYS HB3 H 0.637 -5.918 0.229 1.00 . A A . 2 CYS HB3 1 1
1 31 1 1 2 CYS N N -2.511 -7.148 0.422 1.00 . A A . 2 CYS N 1 1
1 32 1 1 2 CYS O O -2.956 -4.748 -0.636 1.00 . A A . 2 CYS O 1 1
1 33 1 1 2 CYS SG S 0.329 -8.308 0.133 1.00 . A A . 2 CYS SG 1 1
1 34 1 1 3 LYS C C -0.510 -1.467 0.369 1.00 . A A . 3 LYS C 1 1
1 35 1 1 3 LYS CA C -1.705 -2.406 0.187 1.00 . A A . 3 LYS CA 1 1
1 36 1 1 3 LYS CB C -2.952 -1.969 0.956 1.00 . A A . 3 LYS CB 1 1
1 37 1 1 3 LYS CD C -3.941 -1.624 3.251 1.00 . A A . 3 LYS CD 1 1
1 38 1 1 3 LYS CE C -4.909 -2.675 3.796 1.00 . A A . 3 LYS CE 1 1
1 39 1 1 3 LYS CG C -2.816 -2.279 2.449 1.00 . A A . 3 LYS CG 1 1
1 40 1 1 3 LYS H H -0.529 -3.811 1.179 1.00 . A A . 3 LYS H 1 1
1 41 1 1 3 LYS HA H -1.969 -2.430 -0.869 1.00 . A A . 3 LYS HA 1 1
1 42 1 1 3 LYS HB2 H -3.115 -0.901 0.818 1.00 . A A . 3 LYS HB2 1 1
1 43 1 1 3 LYS HB3 H -3.829 -2.478 0.556 1.00 . A A . 3 LYS HB3 1 1
1 44 1 1 3 LYS HD2 H -3.517 -1.051 4.077 1.00 . A A . 3 LYS HD2 1 1
1 45 1 1 3 LYS HD3 H -4.481 -0.920 2.620 1.00 . A A . 3 LYS HD3 1 1
1 46 1 1 3 LYS HE2 H -5.559 -3.028 2.997 1.00 . A A . 3 LYS HE2 1 1
1 47 1 1 3 LYS HE3 H -4.350 -3.538 4.159 1.00 . A A . 3 LYS HE3 1 1
1 48 1 1 3 LYS HG2 H -2.833 -3.358 2.602 1.00 . A A . 3 LYS HG2 1 1
1 49 1 1 3 LYS HG3 H -1.851 -1.922 2.811 1.00 . A A . 3 LYS HG3 1 1
1 50 1 1 3 LYS HZ1 H -6.097 -2.829 5.501 1.00 . A A . 3 LYS HZ1 1 1
1 51 1 1 3 LYS HZ2 H -5.187 -1.480 5.482 1.00 . A A . 3 LYS HZ2 1 1
1 52 1 1 3 LYS N N -1.318 -3.754 0.568 1.00 . A A . 3 LYS N 1 1
1 53 1 1 3 LYS NZ N -5.724 -2.109 4.894 1.00 . A A . 3 LYS NZ 1 1
1 54 1 1 3 LYS O O 0.088 -1.418 1.443 1.00 . A A . 3 LYS O 1 1
1 55 1 1 4 . C C 0.402 1.620 -0.488 1.00 . A A . 4 ILG C 1 1
1 56 1 1 4 . CA C 0.915 0.189 -0.668 1.00 . A A . 4 ILG CA 1 1
1 57 1 1 4 . CB C 1.779 0.058 -1.954 1.00 . A A . 4 ILG CB 1 1
1 58 1 1 4 . CD C 3.130 -1.614 -3.515 1.00 . A A . 4 ILG CD 1 1
1 59 1 1 4 . CG C 1.967 -1.374 -2.550 1.00 . A A . 4 ILG CG 1 1
1 60 1 1 4 . H H -0.689 -0.791 -1.568 1.00 . A A . 4 ILG H 1 1
1 61 1 1 4 . HA H 1.526 -0.066 0.217 1.00 . A A . 4 ILG HA 1 1
1 62 1 1 4 . HB2 H 1.349 0.710 -2.739 1.00 . A A . 4 ILG HB2 1 1
1 63 1 1 4 . HB3 H 2.777 0.499 -1.756 1.00 . A A . 4 ILG HB3 1 1
1 64 1 1 4 . HG2 H 2.080 -2.108 -1.728 1.00 . A A . 4 ILG HG2 1 1
1 65 1 1 4 . HG3 H 1.046 -1.694 -3.073 1.00 . A A . 4 ILG HG3 1 1
1 66 1 1 4 . N N -0.198 -0.745 -0.697 1.00 . A A . 4 ILG N 1 1
1 67 1 1 4 . O O 1.111 2.579 -0.786 1.00 . A A . 4 ILG O 1 1
1 68 1 1 4 . OE1 O 3.375 -2.709 -4.007 1.00 . A A . 4 ILG OE1 1 1
1 69 1 1 5 PHE C C -1.063 3.998 -0.881 1.00 . A A . 5 PHE C 1 1
1 70 1 1 5 PHE CA C -1.442 3.013 0.226 1.00 . A A . 5 PHE CA 1 1
1 71 1 1 5 PHE CB C -0.907 3.535 1.561 1.00 . A A . 5 PHE CB 1 1
1 72 1 1 5 PHE CD1 C 0.033 1.497 2.672 1.00 . A A . 5 PHE CD1 1 1
1 73 1 1 5 PHE CD2 C -1.819 2.553 3.676 1.00 . A A . 5 PHE CD2 1 1
1 74 1 1 5 PHE CE1 C 0.044 0.527 3.710 1.00 . A A . 5 PHE CE1 1 1
1 75 1 1 5 PHE CE2 C -1.809 1.584 4.714 1.00 . A A . 5 PHE CE2 1 1
1 76 1 1 5 PHE CG C -0.897 2.490 2.679 1.00 . A A . 5 PHE CG 1 1
1 77 1 1 5 PHE CZ C -0.878 0.592 4.708 1.00 . A A . 5 PHE CZ 1 1
1 78 1 1 5 PHE H H -1.396 0.931 0.240 1.00 . A A . 5 PHE H 1 1
1 79 1 1 5 PHE HA H -2.523 2.865 0.223 1.00 . A A . 5 PHE HA 1 1
1 80 1 1 5 PHE HB2 H 0.107 3.906 1.415 1.00 . A A . 5 PHE HB2 1 1
1 81 1 1 5 PHE HB3 H -1.515 4.383 1.877 1.00 . A A . 5 PHE HB3 1 1
1 82 1 1 5 PHE HD1 H 0.772 1.448 1.873 1.00 . A A . 5 PHE HD1 1 1
1 83 1 1 5 PHE HD2 H -2.565 3.348 3.680 1.00 . A A . 5 PHE HD2 1 1
1 84 1 1 5 PHE HE1 H 0.789 -0.268 3.706 1.00 . A A . 5 PHE HE1 1 1
1 85 1 1 5 PHE HE2 H -2.547 1.634 5.514 1.00 . A A . 5 PHE HE2 1 1
1 86 1 1 5 PHE HZ H -0.869 -0.153 5.505 1.00 . A A . 5 PHE HZ 1 1
1 87 1 1 5 PHE N N -0.826 1.715 0.000 1.00 . A A . 5 PHE N 1 1
1 88 1 1 5 PHE O O -0.799 3.595 -2.013 1.00 . A A . 5 PHE O 1 1
1 89 1 1 6 DTR C C 0.776 6.185 -1.805 1.00 . A A . 6 DTR C 1 1
1 90 1 1 6 DTR CA C -0.710 6.318 -1.466 1.00 . A A . 6 DTR CA 1 1
1 91 1 1 6 DTR CB C -1.622 6.116 -2.678 1.00 . A A . 6 DTR CB 1 1
1 92 1 1 6 DTR CD1 C -3.283 8.064 -2.350 1.00 . A A . 6 DTR CD1 1 1
1 93 1 1 6 DTR CD2 C -2.347 8.042 -4.358 1.00 . A A . 6 DTR CD2 1 1
1 94 1 1 6 DTR CE2 C -3.206 9.119 -4.316 1.00 . A A . 6 DTR CE2 1 1
1 95 1 1 6 DTR CE3 C -1.593 7.749 -5.509 1.00 . A A . 6 DTR CE3 1 1
1 96 1 1 6 DTR CG C -2.405 7.365 -3.083 1.00 . A A . 6 DTR CG 1 1
1 97 1 1 6 DTR CH2 C -2.652 9.723 -6.550 1.00 . A A . 6 DTR CH2 1 1
1 98 1 1 6 DTR CZ2 C -3.393 9.994 -5.392 1.00 . A A . 6 DTR CZ2 1 1
1 99 1 1 6 DTR CZ3 C -1.792 8.633 -6.577 1.00 . A A . 6 DTR CZ3 1 1
1 100 1 1 6 DTR H H -1.267 5.592 0.404 1.00 . A A . 6 DTR H 1 1
1 101 1 1 6 DTR HA H -0.897 7.264 -0.960 1.00 . A A . 6 DTR HA 1 1
1 102 1 1 6 DTR HB2 H -1.018 5.786 -3.524 1.00 . A A . 6 DTR HB2 1 1
1 103 1 1 6 DTR HB3 H -2.327 5.312 -2.459 1.00 . A A . 6 DTR HB3 1 1
1 104 1 1 6 DTR HD1 H -3.560 7.817 -1.325 1.00 . A A . 6 DTR HD1 1 1
1 105 1 1 6 DTR HE1 H -4.522 9.859 -2.692 1.00 . A A . 6 DTR HE1 1 1
1 106 1 1 6 DTR HE3 H -0.910 6.902 -5.565 1.00 . A A . 6 DTR HE3 1 1
1 107 1 1 6 DTR HH2 H -2.750 10.365 -7.426 1.00 . A A . 6 DTR HH2 1 1
1 108 1 1 6 DTR HZ2 H -4.077 10.841 -5.334 1.00 . A A . 6 DTR HZ2 1 1
1 109 1 1 6 DTR HZ3 H -1.232 8.450 -7.494 1.00 . A A . 6 DTR HZ3 1 1
1 110 1 1 6 DTR N N -1.051 5.272 -0.518 1.00 . A A . 6 DTR N 1 1
1 111 1 1 6 DTR NE1 N -3.794 9.135 -3.056 1.00 . A A . 6 DTR NE1 1 1
1 112 1 1 6 DTR O O 1.590 7.001 -1.379 1.00 . A A . 6 DTR O 1 1
1 113 1 1 7 IAM C C 3.427 5.205 -1.829 1.00 . A A . 7 IAM C 1 1
1 114 1 1 7 IAM CA C 2.457 4.893 -2.970 1.00 . A A . 7 IAM CA 1 1
1 115 1 1 7 IAM CB C 2.758 5.824 -4.146 1.00 . A A . 7 IAM CB 1 1
1 116 1 1 7 IAM CD1 C 1.583 6.004 -6.352 1.00 . A A . 7 IAM CD1 1 1
1 117 1 1 7 IAM CD2 C 2.745 4.011 -5.874 1.00 . A A . 7 IAM CD2 1 1
1 118 1 1 7 IAM CE1 C 1.202 5.481 -7.615 1.00 . A A . 7 IAM CE1 1 1
1 119 1 1 7 IAM CE2 C 2.364 3.487 -7.139 1.00 . A A . 7 IAM CE2 1 1
1 120 1 1 7 IAM CG C 2.348 5.260 -5.508 1.00 . A A . 7 IAM CG 1 1
1 121 1 1 7 IAM CI C -0.736 2.442 -8.181 1.00 . A A . 7 IAM CI 1 1
1 122 1 1 7 IAM CK1 C -0.335 1.624 -6.939 1.00 . A A . 7 IAM CK1 1 1
1 123 1 1 7 IAM CK2 C -1.982 1.815 -8.831 1.00 . A A . 7 IAM CK2 1 1
1 124 1 1 7 IAM CT C 1.188 3.664 -9.351 1.00 . A A . 7 IAM CT 1 1
1 125 1 1 7 IAM CZ C 1.600 4.232 -7.980 1.00 . A A . 7 IAM CZ 1 1
1 126 1 1 7 IAM H H 0.416 4.486 -2.911 1.00 . A A . 7 IAM H 1 1
1 127 1 1 7 IAM HA H 2.529 3.838 -3.228 1.00 . A A . 7 IAM HA 1 1
1 128 1 1 7 IAM HB H 2.244 6.771 -3.989 1.00 . A A . 7 IAM HB 1 1
1 129 1 1 7 IAM HB1 H 3.825 6.041 -4.162 1.00 . A A . 7 IAM HB1 1 1
1 130 1 1 7 IAM HD1 H 1.263 7.005 -6.057 1.00 . A A . 7 IAM HD1 1 1
1 131 1 1 7 IAM HD2 H 3.357 3.414 -5.199 1.00 . A A . 7 IAM HD2 1 1
1 132 1 1 7 IAM HE1 H 0.592 6.077 -8.292 1.00 . A A . 7 IAM HE1 1 1
1 133 1 1 7 IAM HE2 H 2.684 2.488 -7.431 1.00 . A A . 7 IAM HE2 1 1
1 134 1 1 7 IAM HH H 0.593 1.591 -9.693 1.00 . A A . 7 IAM HH 1 1
1 135 1 1 7 IAM HI H -0.953 3.448 -7.889 1.00 . A A . 7 IAM HI 1 1
1 136 1 1 7 IAM HK11 H -0.117 0.617 -7.232 1.00 . A A . 7 IAM HK11 1 1
1 137 1 1 7 IAM HK12 H 0.531 2.059 -6.488 1.00 . A A . 7 IAM HK12 1 1
1 138 1 1 7 IAM HK13 H -1.142 1.624 -6.237 1.00 . A A . 7 IAM HK13 1 1
1 139 1 1 7 IAM HK21 H -2.259 2.385 -9.693 1.00 . A A . 7 IAM HK21 1 1
1 140 1 1 7 IAM HK22 H -1.766 0.810 -9.124 1.00 . A A . 7 IAM HK22 1 1
1 141 1 1 7 IAM HK23 H -2.789 1.815 -8.129 1.00 . A A . 7 IAM HK23 1 1
1 142 1 1 7 IAM HT1 H 2.065 3.426 -9.916 1.00 . A A . 7 IAM HT1 1 1
1 143 1 1 7 IAM HT2 H 0.607 4.393 -9.881 1.00 . A A . 7 IAM HT2 1 1
1 144 1 1 7 IAM N N 1.083 5.146 -2.570 1.00 . A A . 7 IAM N 1 1
1 145 1 1 7 IAM NH N 0.380 2.442 -9.154 1.00 . A A . 7 IAM NH 1 1
1 146 1 1 7 IAM O O 4.407 5.922 -2.021 1.00 . A A . 7 IAM O 1 1
1 147 1 1 8 THR C C 4.248 3.523 1.196 1.00 . A A . 8 THR C 1 1
1 148 1 1 8 THR CA C 3.954 4.857 0.506 1.00 . A A . 8 THR CA 1 1
1 149 1 1 8 THR CB C 3.249 5.867 1.414 1.00 . A A . 8 THR CB 1 1
1 150 1 1 8 THR CG2 C 1.978 5.297 2.048 1.00 . A A . 8 THR CG2 1 1
1 151 1 1 8 THR H H 2.323 4.065 -0.518 1.00 . A A . 8 THR H 1 1
1 152 1 1 8 THR HA H 4.910 5.266 0.180 1.00 . A A . 8 THR HA 1 1
1 153 1 1 8 THR HB H 3.035 6.789 0.876 1.00 . A A . 8 THR HB 1 1
1 154 1 1 8 THR HG1 H 4.334 5.141 2.931 1.00 . A A . 8 THR HG1 1 1
1 155 1 1 8 THR HG21 H 1.803 5.784 3.008 1.00 . A A . 8 THR HG21 1 1
1 156 1 1 8 THR HG22 H 1.131 5.478 1.389 1.00 . A A . 8 THR HG22 1 1
1 157 1 1 8 THR HG23 H 2.098 4.224 2.202 1.00 . A A . 8 THR HG23 1 1
1 158 1 1 8 THR N N 3.122 4.648 -0.666 1.00 . A A . 8 THR N 1 1
1 159 1 1 8 THR O O 4.569 2.535 0.535 1.00 . A A . 8 THR O 1 1
1 160 1 1 8 THR OG1 O 4.144 6.029 2.512 1.00 . A A . 8 THR OG1 1 1
1 161 1 1 9 PHE C C 3.732 1.113 2.655 1.00 . A A . 9 PHE C 1 1
1 162 1 1 9 PHE CA C 4.380 2.340 3.301 1.00 . A A . 9 PHE CA 1 1
1 163 1 1 9 PHE CB C 3.748 2.570 4.676 1.00 . A A . 9 PHE CB 1 1
1 164 1 1 9 PHE CD1 C 4.841 0.794 6.063 1.00 . A A . 9 PHE CD1 1 1
1 165 1 1 9 PHE CD2 C 2.499 0.727 5.822 1.00 . A A . 9 PHE CD2 1 1
1 166 1 1 9 PHE CE1 C 4.791 -0.369 6.878 1.00 . A A . 9 PHE CE1 1 1
1 167 1 1 9 PHE CE2 C 2.448 -0.435 6.637 1.00 . A A . 9 PHE CE2 1 1
1 168 1 1 9 PHE CG C 3.694 1.317 5.553 1.00 . A A . 9 PHE CG 1 1
1 169 1 1 9 PHE CZ C 3.596 -0.959 7.146 1.00 . A A . 9 PHE CZ 1 1
1 170 1 1 9 PHE H H 3.869 4.343 3.045 1.00 . A A . 9 PHE H 1 1
1 171 1 1 9 PHE HA H 5.460 2.198 3.342 1.00 . A A . 9 PHE HA 1 1
1 172 1 1 9 PHE HB2 H 4.314 3.343 5.199 1.00 . A A . 9 PHE HB2 1 1
1 173 1 1 9 PHE HB3 H 2.736 2.950 4.541 1.00 . A A . 9 PHE HB3 1 1
1 174 1 1 9 PHE HD1 H 5.799 1.268 5.848 1.00 . A A . 9 PHE HD1 1 1
1 175 1 1 9 PHE HD2 H 1.580 1.146 5.413 1.00 . A A . 9 PHE HD2 1 1
1 176 1 1 9 PHE HE1 H 5.710 -0.788 7.285 1.00 . A A . 9 PHE HE1 1 1
1 177 1 1 9 PHE HE2 H 1.490 -0.909 6.852 1.00 . A A . 9 PHE HE2 1 1
1 178 1 1 9 PHE HZ H 3.557 -1.851 7.771 1.00 . A A . 9 PHE HZ 1 1
1 179 1 1 9 PHE N N 4.129 3.536 2.515 1.00 . A A . 9 PHE N 1 1
1 180 1 1 9 PHE O O 2.953 1.244 1.711 1.00 . A A . 9 PHE O 1 1
1 181 1 1 10 LYS C C 2.888 -2.075 3.816 1.00 . A A . 10 LYS C 1 1
1 182 1 1 10 LYS CA C 3.541 -1.298 2.672 1.00 . A A . 10 LYS CA 1 1
1 183 1 1 10 LYS CB C 4.625 -2.085 1.935 1.00 . A A . 10 LYS CB 1 1
1 184 1 1 10 LYS CD C 4.425 -1.774 -0.561 1.00 . A A . 10 LYS CD 1 1
1 185 1 1 10 LYS CE C 5.410 -1.879 -1.726 1.00 . A A . 10 LYS CE 1 1
1 186 1 1 10 LYS CG C 5.131 -1.311 0.715 1.00 . A A . 10 LYS CG 1 1
1 187 1 1 10 LYS H H 4.712 -0.145 3.953 1.00 . A A . 10 LYS H 1 1
1 188 1 1 10 LYS HA H 2.772 -1.046 1.943 1.00 . A A . 10 LYS HA 1 1
1 189 1 1 10 LYS HB2 H 5.456 -2.288 2.611 1.00 . A A . 10 LYS HB2 1 1
1 190 1 1 10 LYS HB3 H 4.230 -3.050 1.619 1.00 . A A . 10 LYS HB3 1 1
1 191 1 1 10 LYS HD2 H 3.956 -2.744 -0.388 1.00 . A A . 10 LYS HD2 1 1
1 192 1 1 10 LYS HD3 H 3.628 -1.076 -0.814 1.00 . A A . 10 LYS HD3 1 1
1 193 1 1 10 LYS HE2 H 6.364 -1.436 -1.442 1.00 . A A . 10 LYS HE2 1 1
1 194 1 1 10 LYS HE3 H 5.600 -2.927 -1.956 1.00 . A A . 10 LYS HE3 1 1
1 195 1 1 10 LYS HG2 H 4.965 -0.245 0.862 1.00 . A A . 10 LYS HG2 1 1
1 196 1 1 10 LYS HG3 H 6.207 -1.453 0.611 1.00 . A A . 10 LYS HG3 1 1
1 197 1 1 10 LYS HZ3 H 4.515 -1.891 -3.587 1.00 . A A . 10 LYS HZ3 1 1
1 198 1 1 10 LYS N N 4.079 -0.050 3.187 1.00 . A A . 10 LYS N 1 1
1 199 1 1 10 LYS NZ N 4.872 -1.192 -2.921 1.00 . A A . 10 LYS NZ 1 1
1 200 1 1 10 LYS O O 3.438 -2.152 4.914 1.00 . A A . 10 LYS O 1 1
1 201 1 1 11 SER C C 0.716 -4.812 3.981 1.00 . A A . 11 SER C 1 1
1 202 1 1 11 SER CA C 0.990 -3.404 4.510 1.00 . A A . 11 SER CA 1 1
1 203 1 1 11 SER CB C -0.322 -2.676 4.897 1.00 . A A . 11 SER CB 1 1
1 204 1 1 11 SER H H 1.284 -2.567 2.624 1.00 . A A . 11 SER H 1 1
1 205 1 1 11 SER HA H 1.607 -3.518 5.419 1.00 . A A . 11 SER HA 1 1
1 206 1 1 11 SER HB2 H -0.354 -1.681 4.410 1.00 . A A . 11 SER HB2 1 1
1 207 1 1 11 SER HB3 H -1.208 -3.212 4.507 1.00 . A A . 11 SER HB3 1 1
1 208 1 1 11 SER HG H -0.505 -3.362 6.711 1.00 . A A . 11 SER HG 1 1
1 209 1 1 11 SER N N 1.723 -2.633 3.519 1.00 . A A . 11 SER N 1 1
1 210 1 1 11 SER O O -0.345 -5.382 4.239 1.00 . A A . 11 SER O 1 1
1 211 1 1 11 SER OG O -0.460 -2.489 6.311 1.00 . A A . 11 SER OG 1 1
1 212 1 1 12 CYS C C 1.586 -7.680 3.823 1.00 . A A . 12 CYS C 1 1
1 213 1 1 12 CYS CA C 1.565 -6.665 2.679 1.00 . A A . 12 CYS CA 1 1
1 214 1 1 12 CYS CB C 2.661 -6.944 1.648 1.00 . A A . 12 CYS CB 1 1
1 215 1 1 12 CYS H H 2.546 -4.864 3.042 1.00 . A A . 12 CYS H 1 1
1 216 1 1 12 CYS HA H 0.612 -6.693 2.153 1.00 . A A . 12 CYS HA 1 1
1 217 1 1 12 CYS HB2 H 2.829 -6.038 1.063 1.00 . A A . 12 CYS HB2 1 1
1 218 1 1 12 CYS HB3 H 3.590 -7.159 2.176 1.00 . A A . 12 CYS HB3 1 1
1 219 1 1 12 CYS N N 1.688 -5.334 3.248 1.00 . A A . 12 CYS N 1 1
1 220 1 1 12 CYS O O 0.545 -8.468 4.020 1.00 . A A . 12 CYS O 1 1
1 221 1 1 12 CYS SG S 2.305 -8.325 0.502 1.00 . A A . 12 CYS SG 1 1
2 222 1 1 1 TYR C C -3.168 -6.961 0.825 1.00 . A A . 1 TYR C 1 1
2 223 1 1 1 TYR CA C -4.272 -8.017 0.876 1.00 . A A . 1 TYR CA 1 1
2 224 1 1 1 TYR CB C -4.858 -8.194 -0.526 1.00 . A A . 1 TYR CB 1 1
2 225 1 1 1 TYR CD1 C -6.414 -6.215 -0.682 1.00 . A A . 1 TYR CD1 1 1
2 226 1 1 1 TYR CD2 C -7.346 -8.408 -0.876 1.00 . A A . 1 TYR CD2 1 1
2 227 1 1 1 TYR CE1 C -7.726 -5.644 -0.846 1.00 . A A . 1 TYR CE1 1 1
2 228 1 1 1 TYR CE2 C -8.658 -7.836 -1.040 1.00 . A A . 1 TYR CE2 1 1
2 229 1 1 1 TYR CG C -6.253 -7.586 -0.701 1.00 . A A . 1 TYR CG 1 1
2 230 1 1 1 TYR CZ C -8.782 -6.483 -1.018 1.00 . A A . 1 TYR CZ 1 1
2 231 1 1 1 TYR H1 H -6.263 -7.710 1.214 1.00 . A A . 1 TYR H1 1 1
2 232 1 1 1 TYR H2 H -5.385 -8.133 2.584 1.00 . A A . 1 TYR H2 1 1
2 233 1 1 1 TYR H3 H -5.256 -6.676 2.130 1.00 . A A . 1 TYR H3 1 1
2 234 1 1 1 TYR HA H -3.869 -8.936 1.303 1.00 . A A . 1 TYR HA 1 1
2 235 1 1 1 TYR HB2 H -4.184 -7.740 -1.251 1.00 . A A . 1 TYR HB2 1 1
2 236 1 1 1 TYR HB3 H -4.907 -9.258 -0.757 1.00 . A A . 1 TYR HB3 1 1
2 237 1 1 1 TYR HD1 H -5.550 -5.566 -0.543 1.00 . A A . 1 TYR HD1 1 1
2 238 1 1 1 TYR HD2 H -7.218 -9.491 -0.891 1.00 . A A . 1 TYR HD2 1 1
2 239 1 1 1 TYR HE1 H -7.867 -4.563 -0.832 1.00 . A A . 1 TYR HE1 1 1
2 240 1 1 1 TYR HE2 H -9.531 -8.473 -1.178 1.00 . A A . 1 TYR HE2 1 1
2 241 1 1 1 TYR HH H -9.951 -4.949 -1.274 1.00 . A A . 1 TYR HH 1 1
2 242 1 1 1 TYR N N -5.373 -7.579 1.716 1.00 . A A . 1 TYR N 1 1
2 243 1 1 1 TYR O O -3.151 -6.035 1.634 1.00 . A A . 1 TYR O 1 1
2 244 1 1 1 TYR OH O -10.021 -5.941 -1.172 1.00 . A A . 1 TYR OH 1 1
2 245 1 1 2 CYS C C -1.741 -4.817 -0.584 1.00 . A A . 2 CYS C 1 1
2 246 1 1 2 CYS CA C -1.165 -6.208 -0.304 1.00 . A A . 2 CYS CA 1 1
2 247 1 1 2 CYS CB C -0.206 -6.662 -1.407 1.00 . A A . 2 CYS CB 1 1
2 248 1 1 2 CYS H H -2.292 -7.890 -0.790 1.00 . A A . 2 CYS H 1 1
2 249 1 1 2 CYS HA H -0.607 -6.214 0.633 1.00 . A A . 2 CYS HA 1 1
2 250 1 1 2 CYS HB2 H -0.668 -7.487 -1.951 1.00 . A A . 2 CYS HB2 1 1
2 251 1 1 2 CYS HB3 H -0.078 -5.845 -2.116 1.00 . A A . 2 CYS HB3 1 1
2 252 1 1 2 CYS N N -2.272 -7.135 -0.135 1.00 . A A . 2 CYS N 1 1
2 253 1 1 2 CYS O O -2.629 -4.668 -1.422 1.00 . A A . 2 CYS O 1 1
2 254 1 1 2 CYS SG S 1.443 -7.197 -0.821 1.00 . A A . 2 CYS SG 1 1
2 255 1 1 3 LYS C C -0.519 -1.513 0.331 1.00 . A A . 3 LYS C 1 1
2 256 1 1 3 LYS CA C -1.661 -2.465 -0.030 1.00 . A A . 3 LYS CA 1 1
2 257 1 1 3 LYS CB C -2.941 -2.223 0.772 1.00 . A A . 3 LYS CB 1 1
2 258 1 1 3 LYS CD C -3.969 -2.229 3.075 1.00 . A A . 3 LYS CD 1 1
2 259 1 1 3 LYS CE C -3.815 -0.785 3.557 1.00 . A A . 3 LYS CE 1 1
2 260 1 1 3 LYS CG C -2.767 -2.656 2.229 1.00 . A A . 3 LYS CG 1 1
2 261 1 1 3 LYS H H -0.488 -3.968 0.811 1.00 . A A . 3 LYS H 1 1
2 262 1 1 3 LYS HA H -1.908 -2.326 -1.082 1.00 . A A . 3 LYS HA 1 1
2 263 1 1 3 LYS HB2 H -3.205 -1.165 0.732 1.00 . A A . 3 LYS HB2 1 1
2 264 1 1 3 LYS HB3 H -3.767 -2.773 0.322 1.00 . A A . 3 LYS HB3 1 1
2 265 1 1 3 LYS HD2 H -4.883 -2.326 2.490 1.00 . A A . 3 LYS HD2 1 1
2 266 1 1 3 LYS HD3 H -4.069 -2.894 3.932 1.00 . A A . 3 LYS HD3 1 1
2 267 1 1 3 LYS HE2 H -3.745 -0.764 4.644 1.00 . A A . 3 LYS HE2 1 1
2 268 1 1 3 LYS HE3 H -2.888 -0.364 3.169 1.00 . A A . 3 LYS HE3 1 1
2 269 1 1 3 LYS HG2 H -2.647 -3.737 2.279 1.00 . A A . 3 LYS HG2 1 1
2 270 1 1 3 LYS HG3 H -1.857 -2.215 2.636 1.00 . A A . 3 LYS HG3 1 1
2 271 1 1 3 LYS HZ1 H -4.738 1.024 3.088 1.00 . A A . 3 LYS HZ1 1 1
2 272 1 1 3 LYS HZ2 H -5.272 -0.218 2.178 1.00 . A A . 3 LYS HZ2 1 1
2 273 1 1 3 LYS N N -1.210 -3.837 0.132 1.00 . A A . 3 LYS N 1 1
2 274 1 1 3 LYS NZ N -4.963 0.034 3.112 1.00 . A A . 3 LYS NZ 1 1
2 275 1 1 3 LYS O O -0.112 -1.436 1.489 1.00 . A A . 3 LYS O 1 1
2 276 1 1 4 . C C 0.501 1.552 -0.324 1.00 . A A . 4 ILG C 1 1
2 277 1 1 4 . CA C 1.053 0.133 -0.486 1.00 . A A . 4 ILG CA 1 1
2 278 1 1 4 . CB C 2.072 0.055 -1.656 1.00 . A A . 4 ILG CB 1 1
2 279 1 1 4 . CD C 3.939 -1.554 -2.654 1.00 . A A . 4 ILG CD 1 1
2 280 1 1 4 . CG C 2.513 -1.370 -2.130 1.00 . A A . 4 ILG CG 1 1
2 281 1 1 4 . H H -0.371 -0.880 -1.622 1.00 . A A . 4 ILG H 1 1
2 282 1 1 4 . HA H 1.553 -0.144 0.460 1.00 . A A . 4 ILG HA 1 1
2 283 1 1 4 . HB2 H 1.658 0.599 -2.527 1.00 . A A . 4 ILG HB2 1 1
2 284 1 1 4 . HB3 H 2.975 0.636 -1.380 1.00 . A A . 4 ILG HB3 1 1
2 285 1 1 4 . HG2 H 2.382 -2.093 -1.303 1.00 . A A . 4 ILG HG2 1 1
2 286 1 1 4 . HG3 H 1.832 -1.736 -2.920 1.00 . A A . 4 ILG HG3 1 1
2 287 1 1 4 . N N -0.033 -0.810 -0.682 1.00 . A A . 4 ILG N 1 1
2 288 1 1 4 . O O 1.162 2.524 -0.686 1.00 . A A . 4 ILG O 1 1
2 289 1 1 4 . OE1 O 4.382 -2.636 -3.015 1.00 . A A . 4 ILG OE1 1 1
2 290 1 1 5 PHE C C -1.013 3.888 -0.692 1.00 . A A . 5 PHE C 1 1
2 291 1 1 5 PHE CA C -1.352 2.907 0.434 1.00 . A A . 5 PHE CA 1 1
2 292 1 1 5 PHE CB C -0.822 3.462 1.755 1.00 . A A . 5 PHE CB 1 1
2 293 1 1 5 PHE CD1 C -0.008 1.372 2.871 1.00 . A A . 5 PHE CD1 1 1
2 294 1 1 5 PHE CD2 C -1.672 2.635 3.960 1.00 . A A . 5 PHE CD2 1 1
2 295 1 1 5 PHE CE1 C -0.020 0.435 3.937 1.00 . A A . 5 PHE CE1 1 1
2 296 1 1 5 PHE CE2 C -1.684 1.698 5.028 1.00 . A A . 5 PHE CE2 1 1
2 297 1 1 5 PHE CG C -0.835 2.452 2.905 1.00 . A A . 5 PHE CG 1 1
2 298 1 1 5 PHE CZ C -0.858 0.618 4.994 1.00 . A A . 5 PHE CZ 1 1
2 299 1 1 5 PHE H H -1.236 0.830 0.511 1.00 . A A . 5 PHE H 1 1
2 300 1 1 5 PHE HA H -2.429 2.728 0.443 1.00 . A A . 5 PHE HA 1 1
2 301 1 1 5 PHE HB2 H 0.201 3.813 1.606 1.00 . A A . 5 PHE HB2 1 1
2 302 1 1 5 PHE HB3 H -1.417 4.329 2.041 1.00 . A A . 5 PHE HB3 1 1
2 303 1 1 5 PHE HD1 H 0.663 1.227 2.025 1.00 . A A . 5 PHE HD1 1 1
2 304 1 1 5 PHE HD2 H -2.334 3.501 3.988 1.00 . A A . 5 PHE HD2 1 1
2 305 1 1 5 PHE HE1 H 0.641 -0.431 3.909 1.00 . A A . 5 PHE HE1 1 1
2 306 1 1 5 PHE HE2 H -2.355 1.845 5.874 1.00 . A A . 5 PHE HE2 1 1
2 307 1 1 5 PHE HZ H -0.866 -0.100 5.813 1.00 . A A . 5 PHE HZ 1 1
2 308 1 1 5 PHE N N -0.705 1.625 0.219 1.00 . A A . 5 PHE N 1 1
2 309 1 1 5 PHE O O -0.800 3.480 -1.832 1.00 . A A . 5 PHE O 1 1
2 310 1 1 6 DTR C C 0.792 6.023 -1.734 1.00 . A A . 6 DTR C 1 1
2 311 1 1 6 DTR CA C -0.661 6.203 -1.295 1.00 . A A . 6 DTR CA 1 1
2 312 1 1 6 DTR CB C -1.660 6.040 -2.443 1.00 . A A . 6 DTR CB 1 1
2 313 1 1 6 DTR CD1 C -3.123 8.043 -1.733 1.00 . A A . 6 DTR CD1 1 1
2 314 1 1 6 DTR CD2 C -2.993 7.792 -3.930 1.00 . A A . 6 DTR CD2 1 1
2 315 1 1 6 DTR CE2 C -3.797 8.885 -3.687 1.00 . A A . 6 DTR CE2 1 1
2 316 1 1 6 DTR CE3 C -2.712 7.365 -5.240 1.00 . A A . 6 DTR CE3 1 1
2 317 1 1 6 DTR CG C -2.564 7.254 -2.660 1.00 . A A . 6 DTR CG 1 1
2 318 1 1 6 DTR CH2 C -4.121 9.239 -6.018 1.00 . A A . 6 DTR CH2 1 1
2 319 1 1 6 DTR CZ2 C -4.387 9.645 -4.705 1.00 . A A . 6 DTR CZ2 1 1
2 320 1 1 6 DTR CZ3 C -3.307 8.134 -6.245 1.00 . A A . 6 DTR CZ3 1 1
2 321 1 1 6 DTR H H -1.147 5.485 0.599 1.00 . A A . 6 DTR H 1 1
2 322 1 1 6 DTR HA H -0.782 7.152 -0.772 1.00 . A A . 6 DTR HA 1 1
2 323 1 1 6 DTR HB2 H -1.110 5.839 -3.363 1.00 . A A . 6 DTR HB2 1 1
2 324 1 1 6 DTR HB3 H -2.284 5.167 -2.247 1.00 . A A . 6 DTR HB3 1 1
2 325 1 1 6 DTR HD1 H -2.997 7.911 -0.658 1.00 . A A . 6 DTR HD1 1 1
2 326 1 1 6 DTR HE1 H -4.438 9.817 -1.780 1.00 . A A . 6 DTR HE1 1 1
2 327 1 1 6 DTR HE3 H -2.079 6.504 -5.454 1.00 . A A . 6 DTR HE3 1 1
2 328 1 1 6 DTR HH2 H -4.548 9.787 -6.857 1.00 . A A . 6 DTR HH2 1 1
2 329 1 1 6 DTR HZ2 H -5.019 10.505 -4.488 1.00 . A A . 6 DTR HZ2 1 1
2 330 1 1 6 DTR HZ3 H -3.123 7.847 -7.281 1.00 . A A . 6 DTR HZ3 1 1
2 331 1 1 6 DTR N N -0.972 5.162 -0.331 1.00 . A A . 6 DTR N 1 1
2 332 1 1 6 DTR NE1 N -3.879 9.044 -2.308 1.00 . A A . 6 DTR NE1 1 1
2 333 1 1 6 DTR O O 1.673 6.766 -1.305 1.00 . A A . 6 DTR O 1 1
2 334 1 1 7 IAM C C 3.391 4.992 -2.014 1.00 . A A . 7 IAM C 1 1
2 335 1 1 7 IAM CA C 2.332 4.741 -3.090 1.00 . A A . 7 IAM CA 1 1
2 336 1 1 7 IAM CB C 2.582 5.687 -4.264 1.00 . A A . 7 IAM CB 1 1
2 337 1 1 7 IAM CD1 C 2.822 4.127 -6.209 1.00 . A A . 7 IAM CD1 1 1
2 338 1 1 7 IAM CD2 C 1.027 5.651 -6.227 1.00 . A A . 7 IAM CD2 1 1
2 339 1 1 7 IAM CE1 C 2.400 3.613 -7.463 1.00 . A A . 7 IAM CE1 1 1
2 340 1 1 7 IAM CE2 C 0.604 5.137 -7.482 1.00 . A A . 7 IAM CE2 1 1
2 341 1 1 7 IAM CG C 2.126 5.135 -5.617 1.00 . A A . 7 IAM CG 1 1
2 342 1 1 7 IAM CI C -0.405 1.515 -8.553 1.00 . A A . 7 IAM CI 1 1
2 343 1 1 7 IAM CK1 C -1.619 2.460 -8.587 1.00 . A A . 7 IAM CK1 1 1
2 344 1 1 7 IAM CK2 C 0.051 1.313 -7.097 1.00 . A A . 7 IAM CK2 1 1
2 345 1 1 7 IAM CT C 0.841 3.572 -9.434 1.00 . A A . 7 IAM CT 1 1
2 346 1 1 7 IAM CZ C 1.300 4.131 -8.073 1.00 . A A . 7 IAM CZ 1 1
2 347 1 1 7 IAM H H 0.278 4.428 -2.932 1.00 . A A . 7 IAM H 1 1
2 348 1 1 7 IAM HA H 2.348 3.689 -3.373 1.00 . A A . 7 IAM HA 1 1
2 349 1 1 7 IAM HB H 2.066 6.628 -4.076 1.00 . A A . 7 IAM HB 1 1
2 350 1 1 7 IAM HB1 H 3.646 5.913 -4.317 1.00 . A A . 7 IAM HB1 1 1
2 351 1 1 7 IAM HD1 H 3.704 3.713 -5.720 1.00 . A A . 7 IAM HD1 1 1
2 352 1 1 7 IAM HD2 H 0.469 6.459 -5.753 1.00 . A A . 7 IAM HD2 1 1
2 353 1 1 7 IAM HE1 H 2.957 2.804 -7.937 1.00 . A A . 7 IAM HE1 1 1
2 354 1 1 7 IAM HE2 H -0.279 5.551 -7.972 1.00 . A A . 7 IAM HE2 1 1
2 355 1 1 7 IAM HH H 1.374 1.490 -9.822 1.00 . A A . 7 IAM HH 1 1
2 356 1 1 7 IAM HI H -0.677 0.570 -8.976 1.00 . A A . 7 IAM HI 1 1
2 357 1 1 7 IAM HK11 H -1.347 3.406 -8.165 1.00 . A A . 7 IAM HK11 1 1
2 358 1 1 7 IAM HK12 H -1.935 2.600 -9.600 1.00 . A A . 7 IAM HK12 1 1
2 359 1 1 7 IAM HK13 H -2.420 2.034 -8.019 1.00 . A A . 7 IAM HK13 1 1
2 360 1 1 7 IAM HK21 H 0.894 0.656 -7.074 1.00 . A A . 7 IAM HK21 1 1
2 361 1 1 7 IAM HK22 H 0.324 2.257 -6.674 1.00 . A A . 7 IAM HK22 1 1
2 362 1 1 7 IAM HK23 H -0.748 0.887 -6.528 1.00 . A A . 7 IAM HK23 1 1
2 363 1 1 7 IAM HT1 H 1.567 3.817 -10.182 1.00 . A A . 7 IAM HT1 1 1
2 364 1 1 7 IAM HT2 H -0.103 4.004 -9.696 1.00 . A A . 7 IAM HT2 1 1
2 365 1 1 7 IAM N N 1.000 5.029 -2.587 1.00 . A A . 7 IAM N 1 1
2 366 1 1 7 IAM NH N 0.702 2.104 -9.339 1.00 . A A . 7 IAM NH 1 1
2 367 1 1 7 IAM O O 4.427 5.596 -2.286 1.00 . A A . 7 IAM O 1 1
2 368 1 1 8 THR C C 4.242 3.340 1.002 1.00 . A A . 8 THR C 1 1
2 369 1 1 8 THR CA C 4.006 4.681 0.304 1.00 . A A . 8 THR CA 1 1
2 370 1 1 8 THR CB C 3.431 5.755 1.231 1.00 . A A . 8 THR CB 1 1
2 371 1 1 8 THR CG2 C 2.162 5.289 1.949 1.00 . A A . 8 THR CG2 1 1
2 372 1 1 8 THR H H 2.248 4.026 -0.601 1.00 . A A . 8 THR H 1 1
2 373 1 1 8 THR HA H 4.968 5.014 -0.084 1.00 . A A . 8 THR HA 1 1
2 374 1 1 8 THR HB H 3.252 6.684 0.687 1.00 . A A . 8 THR HB 1 1
2 375 1 1 8 THR HG1 H 4.548 4.978 2.697 1.00 . A A . 8 THR HG1 1 1
2 376 1 1 8 THR HG21 H 2.078 5.804 2.907 1.00 . A A . 8 THR HG21 1 1
2 377 1 1 8 THR HG22 H 1.292 5.522 1.336 1.00 . A A . 8 THR HG22 1 1
2 378 1 1 8 THR HG23 H 2.213 4.213 2.116 1.00 . A A . 8 THR HG23 1 1
2 379 1 1 8 THR N N 3.092 4.516 -0.813 1.00 . A A . 8 THR N 1 1
2 380 1 1 8 THR O O 4.444 2.321 0.344 1.00 . A A . 8 THR O 1 1
2 381 1 1 8 THR OG1 O 4.397 5.870 2.271 1.00 . A A . 8 THR OG1 1 1
2 382 1 1 9 PHE C C 3.622 1.009 2.558 1.00 . A A . 9 PHE C 1 1
2 383 1 1 9 PHE CA C 4.421 2.187 3.120 1.00 . A A . 9 PHE CA 1 1
2 384 1 1 9 PHE CB C 3.925 2.494 4.535 1.00 . A A . 9 PHE CB 1 1
2 385 1 1 9 PHE CD1 C 5.084 0.699 5.840 1.00 . A A . 9 PHE CD1 1 1
2 386 1 1 9 PHE CD2 C 2.731 0.787 5.925 1.00 . A A . 9 PHE CD2 1 1
2 387 1 1 9 PHE CE1 C 5.073 -0.426 6.706 1.00 . A A . 9 PHE CE1 1 1
2 388 1 1 9 PHE CE2 C 2.720 -0.337 6.792 1.00 . A A . 9 PHE CE2 1 1
2 389 1 1 9 PHE CG C 3.913 1.282 5.468 1.00 . A A . 9 PHE CG 1 1
2 390 1 1 9 PHE CZ C 3.891 -0.920 7.164 1.00 . A A . 9 PHE CZ 1 1
2 391 1 1 9 PHE H H 4.048 4.218 2.854 1.00 . A A . 9 PHE H 1 1
2 392 1 1 9 PHE HA H 5.485 1.954 3.080 1.00 . A A . 9 PHE HA 1 1
2 393 1 1 9 PHE HB2 H 4.558 3.270 4.970 1.00 . A A . 9 PHE HB2 1 1
2 394 1 1 9 PHE HB3 H 2.916 2.903 4.475 1.00 . A A . 9 PHE HB3 1 1
2 395 1 1 9 PHE HD1 H 6.031 1.096 5.473 1.00 . A A . 9 PHE HD1 1 1
2 396 1 1 9 PHE HD2 H 1.792 1.255 5.626 1.00 . A A . 9 PHE HD2 1 1
2 397 1 1 9 PHE HE1 H 6.011 -0.893 7.005 1.00 . A A . 9 PHE HE1 1 1
2 398 1 1 9 PHE HE2 H 1.773 -0.733 7.158 1.00 . A A . 9 PHE HE2 1 1
2 399 1 1 9 PHE HZ H 3.883 -1.784 7.828 1.00 . A A . 9 PHE HZ 1 1
2 400 1 1 9 PHE N N 4.211 3.385 2.327 1.00 . A A . 9 PHE N 1 1
2 401 1 1 9 PHE O O 2.808 1.183 1.652 1.00 . A A . 9 PHE O 1 1
2 402 1 1 10 LYS C C 2.636 -2.099 3.902 1.00 . A A . 10 LYS C 1 1
2 403 1 1 10 LYS CA C 3.199 -1.368 2.681 1.00 . A A . 10 LYS CA 1 1
2 404 1 1 10 LYS CB C 4.127 -2.230 1.822 1.00 . A A . 10 LYS CB 1 1
2 405 1 1 10 LYS CD C 5.492 -1.075 0.042 1.00 . A A . 10 LYS CD 1 1
2 406 1 1 10 LYS CE C 5.960 -1.460 -1.362 1.00 . A A . 10 LYS CE 1 1
2 407 1 1 10 LYS CG C 4.151 -1.735 0.375 1.00 . A A . 10 LYS CG 1 1
2 408 1 1 10 LYS H H 4.547 -0.296 3.853 1.00 . A A . 10 LYS H 1 1
2 409 1 1 10 LYS HA H 2.367 -1.061 2.048 1.00 . A A . 10 LYS HA 1 1
2 410 1 1 10 LYS HB2 H 5.136 -2.208 2.234 1.00 . A A . 10 LYS HB2 1 1
2 411 1 1 10 LYS HB3 H 3.796 -3.268 1.849 1.00 . A A . 10 LYS HB3 1 1
2 412 1 1 10 LYS HD2 H 5.394 0.009 0.115 1.00 . A A . 10 LYS HD2 1 1
2 413 1 1 10 LYS HD3 H 6.240 -1.376 0.775 1.00 . A A . 10 LYS HD3 1 1
2 414 1 1 10 LYS HE2 H 7.046 -1.403 -1.418 1.00 . A A . 10 LYS HE2 1 1
2 415 1 1 10 LYS HE3 H 5.683 -2.493 -1.572 1.00 . A A . 10 LYS HE3 1 1
2 416 1 1 10 LYS HG2 H 3.977 -2.570 -0.302 1.00 . A A . 10 LYS HG2 1 1
2 417 1 1 10 LYS HG3 H 3.343 -1.022 0.216 1.00 . A A . 10 LYS HG3 1 1
2 418 1 1 10 LYS HZ3 H 4.585 -1.054 -2.849 1.00 . A A . 10 LYS HZ3 1 1
2 419 1 1 10 LYS N N 3.883 -0.163 3.116 1.00 . A A . 10 LYS N 1 1
2 420 1 1 10 LYS NZ N 5.355 -0.564 -2.372 1.00 . A A . 10 LYS NZ 1 1
2 421 1 1 10 LYS O O 3.224 -2.056 4.982 1.00 . A A . 10 LYS O 1 1
2 422 1 1 11 SER C C 0.268 -4.795 4.214 1.00 . A A . 11 SER C 1 1
2 423 1 1 11 SER CA C 0.855 -3.493 4.759 1.00 . A A . 11 SER CA 1 1
2 424 1 1 11 SER CB C -0.230 -2.619 5.439 1.00 . A A . 11 SER CB 1 1
2 425 1 1 11 SER H H 1.032 -2.784 2.809 1.00 . A A . 11 SER H 1 1
2 426 1 1 11 SER HA H 1.606 -3.773 5.521 1.00 . A A . 11 SER HA 1 1
2 427 1 1 11 SER HB2 H -0.482 -1.763 4.784 1.00 . A A . 11 SER HB2 1 1
2 428 1 1 11 SER HB3 H -1.178 -3.177 5.556 1.00 . A A . 11 SER HB3 1 1
2 429 1 1 11 SER HG H 0.329 -2.859 7.290 1.00 . A A . 11 SER HG 1 1
2 430 1 1 11 SER N N 1.504 -2.755 3.690 1.00 . A A . 11 SER N 1 1
2 431 1 1 11 SER O O -0.942 -5.011 4.276 1.00 . A A . 11 SER O 1 1
2 432 1 1 11 SER OG O 0.184 -2.107 6.711 1.00 . A A . 11 SER OG 1 1
2 433 1 1 12 CYS C C 0.367 -7.840 4.293 1.00 . A A . 12 CYS C 1 1
2 434 1 1 12 CYS CA C 0.736 -6.909 3.136 1.00 . A A . 12 CYS CA 1 1
2 435 1 1 12 CYS CB C 1.818 -7.515 2.239 1.00 . A A . 12 CYS CB 1 1
2 436 1 1 12 CYS H H 2.134 -5.452 3.645 1.00 . A A . 12 CYS H 1 1
2 437 1 1 12 CYS HA H -0.131 -6.709 2.509 1.00 . A A . 12 CYS HA 1 1
2 438 1 1 12 CYS HB2 H 2.488 -6.718 1.915 1.00 . A A . 12 CYS HB2 1 1
2 439 1 1 12 CYS HB3 H 2.413 -8.211 2.831 1.00 . A A . 12 CYS HB3 1 1
2 440 1 1 12 CYS N N 1.152 -5.633 3.692 1.00 . A A . 12 CYS N 1 1
2 441 1 1 12 CYS O O 0.497 -7.421 5.537 1.00 . A A . 12 CYS O 1 1
2 442 1 1 12 CYS SG S 1.189 -8.390 0.761 1.00 . A A . 12 CYS SG 1 1
3 443 1 1 1 TYR C C -2.695 -7.494 1.192 1.00 . A A . 1 TYR C 1 1
3 444 1 1 1 TYR CA C -3.909 -8.396 0.964 1.00 . A A . 1 TYR CA 1 1
3 445 1 1 1 TYR CB C -4.720 -7.851 -0.212 1.00 . A A . 1 TYR CB 1 1
3 446 1 1 1 TYR CD1 C -6.150 -6.119 0.935 1.00 . A A . 1 TYR CD1 1 1
3 447 1 1 1 TYR CD2 C -7.240 -7.908 -0.214 1.00 . A A . 1 TYR CD2 1 1
3 448 1 1 1 TYR CE1 C -7.431 -5.576 1.307 1.00 . A A . 1 TYR CE1 1 1
3 449 1 1 1 TYR CE2 C -8.522 -7.365 0.157 1.00 . A A . 1 TYR CE2 1 1
3 450 1 1 1 TYR CG C -6.083 -7.274 0.183 1.00 . A A . 1 TYR CG 1 1
3 451 1 1 1 TYR CZ C -8.553 -6.226 0.898 1.00 . A A . 1 TYR CZ 1 1
3 452 1 1 1 TYR H1 H -5.234 -9.294 2.233 1.00 . A A . 1 TYR H1 1 1
3 453 1 1 1 TYR H2 H -4.264 -8.129 2.958 1.00 . A A . 1 TYR H2 1 1
3 454 1 1 1 TYR H3 H -4.501 -7.780 2.864 1.00 . A A . 1 TYR H3 1 1
3 455 1 1 1 TYR HA H -3.570 -9.422 0.827 1.00 . A A . 1 TYR HA 1 1
3 456 1 1 1 TYR HB2 H -4.141 -7.075 -0.713 1.00 . A A . 1 TYR HB2 1 1
3 457 1 1 1 TYR HB3 H -4.873 -8.652 -0.936 1.00 . A A . 1 TYR HB3 1 1
3 458 1 1 1 TYR HD1 H -5.234 -5.617 1.247 1.00 . A A . 1 TYR HD1 1 1
3 459 1 1 1 TYR HD2 H -7.187 -8.821 -0.809 1.00 . A A . 1 TYR HD2 1 1
3 460 1 1 1 TYR HE1 H -7.498 -4.665 1.901 1.00 . A A . 1 TYR HE1 1 1
3 461 1 1 1 TYR HE2 H -9.446 -7.857 -0.147 1.00 . A A . 1 TYR HE2 1 1
3 462 1 1 1 TYR HH H -9.643 -4.812 1.668 1.00 . A A . 1 TYR HH 1 1
3 463 1 1 1 TYR N N -4.800 -8.367 2.112 1.00 . A A . 1 TYR N 1 1
3 464 1 1 1 TYR O O -2.481 -7.001 2.298 1.00 . A A . 1 TYR O 1 1
3 465 1 1 1 TYR OH O -9.762 -5.711 1.250 1.00 . A A . 1 TYR OH 1 1
3 466 1 1 2 CYS C C -1.133 -5.046 -0.210 1.00 . A A . 2 CYS C 1 1
3 467 1 1 2 CYS CA C -0.744 -6.469 0.196 1.00 . A A . 2 CYS CA 1 1
3 468 1 1 2 CYS CB C 0.387 -7.021 -0.676 1.00 . A A . 2 CYS CB 1 1
3 469 1 1 2 CYS H H -2.113 -7.707 -0.772 1.00 . A A . 2 CYS H 1 1
3 470 1 1 2 CYS HA H -0.401 -6.497 1.228 1.00 . A A . 2 CYS HA 1 1
3 471 1 1 2 CYS HB2 H 0.128 -6.863 -1.723 1.00 . A A . 2 CYS HB2 1 1
3 472 1 1 2 CYS HB3 H 1.292 -6.446 -0.481 1.00 . A A . 2 CYS HB3 1 1
3 473 1 1 2 CYS N N -1.932 -7.304 0.126 1.00 . A A . 2 CYS N 1 1
3 474 1 1 2 CYS O O -1.429 -4.787 -1.375 1.00 . A A . 2 CYS O 1 1
3 475 1 1 2 CYS SG S 0.753 -8.796 -0.423 1.00 . A A . 2 CYS SG 1 1
3 476 1 1 3 LYS C C -0.196 -1.919 0.563 1.00 . A A . 3 LYS C 1 1
3 477 1 1 3 LYS CA C -1.469 -2.771 0.539 1.00 . A A . 3 LYS CA 1 1
3 478 1 1 3 LYS CB C -2.537 -2.309 1.531 1.00 . A A . 3 LYS CB 1 1
3 479 1 1 3 LYS CD C -5.048 -2.301 1.296 1.00 . A A . 3 LYS CD 1 1
3 480 1 1 3 LYS CE C -5.932 -2.780 0.141 1.00 . A A . 3 LYS CE 1 1
3 481 1 1 3 LYS CG C -3.796 -3.171 1.424 1.00 . A A . 3 LYS CG 1 1
3 482 1 1 3 LYS H H -0.879 -4.380 1.721 1.00 . A A . 3 LYS H 1 1
3 483 1 1 3 LYS HA H -1.906 -2.708 -0.458 1.00 . A A . 3 LYS HA 1 1
3 484 1 1 3 LYS HB2 H -2.142 -2.359 2.546 1.00 . A A . 3 LYS HB2 1 1
3 485 1 1 3 LYS HB3 H -2.789 -1.265 1.340 1.00 . A A . 3 LYS HB3 1 1
3 486 1 1 3 LYS HD2 H -5.612 -2.331 2.227 1.00 . A A . 3 LYS HD2 1 1
3 487 1 1 3 LYS HD3 H -4.759 -1.264 1.131 1.00 . A A . 3 LYS HD3 1 1
3 488 1 1 3 LYS HE2 H -5.358 -2.787 -0.785 1.00 . A A . 3 LYS HE2 1 1
3 489 1 1 3 LYS HE3 H -6.254 -3.805 0.325 1.00 . A A . 3 LYS HE3 1 1
3 490 1 1 3 LYS HG2 H -3.716 -3.832 0.561 1.00 . A A . 3 LYS HG2 1 1
3 491 1 1 3 LYS HG3 H -3.880 -3.808 2.305 1.00 . A A . 3 LYS HG3 1 1
3 492 1 1 3 LYS HZ1 H -7.875 -2.366 -0.485 1.00 . A A . 3 LYS HZ1 1 1
3 493 1 1 3 LYS HZ2 H -7.476 -1.598 0.893 1.00 . A A . 3 LYS HZ2 1 1
3 494 1 1 3 LYS N N -1.120 -4.160 0.776 1.00 . A A . 3 LYS N 1 1
3 495 1 1 3 LYS NZ N -7.113 -1.901 -0.004 1.00 . A A . 3 LYS NZ 1 1
3 496 1 1 3 LYS O O 0.590 -2.000 1.504 1.00 . A A . 3 LYS O 1 1
3 497 1 1 4 . C C 0.736 1.195 -0.315 1.00 . A A . 4 ILG C 1 1
3 498 1 1 4 . CA C 1.127 -0.258 -0.594 1.00 . A A . 4 ILG CA 1 1
3 499 1 1 4 . CB C 1.794 -0.404 -1.991 1.00 . A A . 4 ILG CB 1 1
3 500 1 1 4 . CD C 1.929 -3.058 -1.937 1.00 . A A . 4 ILG CD 1 1
3 501 1 1 4 . CG C 1.632 -1.777 -2.722 1.00 . A A . 4 ILG CG 1 1
3 502 1 1 4 . H H -0.680 -1.062 -1.245 1.00 . A A . 4 ILG H 1 1
3 503 1 1 4 . HA H 1.838 -0.572 0.191 1.00 . A A . 4 ILG HA 1 1
3 504 1 1 4 . HB2 H 1.406 0.392 -2.654 1.00 . A A . 4 ILG HB2 1 1
3 505 1 1 4 . HB3 H 2.873 -0.173 -1.895 1.00 . A A . 4 ILG HB3 1 1
3 506 1 1 4 . HG2 H 0.600 -1.873 -3.109 1.00 . A A . 4 ILG HG2 1 1
3 507 1 1 4 . HG3 H 2.266 -1.804 -3.628 1.00 . A A . 4 ILG HG3 1 1
3 508 1 1 4 . N N -0.036 -1.123 -0.484 1.00 . A A . 4 ILG N 1 1
3 509 1 1 4 . O O 1.515 2.112 -0.572 1.00 . A A . 4 ILG O 1 1
3 510 1 1 4 . OE1 O 1.799 -4.177 -2.416 1.00 . A A . 4 ILG OE1 1 1
3 511 1 1 5 PHE C C -0.609 3.688 -0.572 1.00 . A A . 5 PHE C 1 1
3 512 1 1 5 PHE CA C -0.974 2.685 0.523 1.00 . A A . 5 PHE CA 1 1
3 513 1 1 5 PHE CB C -0.311 3.114 1.834 1.00 . A A . 5 PHE CB 1 1
3 514 1 1 5 PHE CD1 C 0.097 0.977 3.071 1.00 . A A . 5 PHE CD1 1 1
3 515 1 1 5 PHE CD2 C -1.459 2.500 3.973 1.00 . A A . 5 PHE CD2 1 1
3 516 1 1 5 PHE CE1 C -0.140 0.091 4.157 1.00 . A A . 5 PHE CE1 1 1
3 517 1 1 5 PHE CE2 C -1.697 1.615 5.058 1.00 . A A . 5 PHE CE2 1 1
3 518 1 1 5 PHE CG C -0.568 2.161 3.003 1.00 . A A . 5 PHE CG 1 1
3 519 1 1 5 PHE CZ C -1.031 0.430 5.127 1.00 . A A . 5 PHE CZ 1 1
3 520 1 1 5 PHE H H -1.098 0.610 0.414 1.00 . A A . 5 PHE H 1 1
3 521 1 1 5 PHE HA H -2.060 2.609 0.597 1.00 . A A . 5 PHE HA 1 1
3 522 1 1 5 PHE HB2 H 0.765 3.196 1.674 1.00 . A A . 5 PHE HB2 1 1
3 523 1 1 5 PHE HB3 H -0.670 4.107 2.103 1.00 . A A . 5 PHE HB3 1 1
3 524 1 1 5 PHE HD1 H 0.812 0.707 2.294 1.00 . A A . 5 PHE HD1 1 1
3 525 1 1 5 PHE HD2 H -1.992 3.449 3.916 1.00 . A A . 5 PHE HD2 1 1
3 526 1 1 5 PHE HE1 H 0.392 -0.858 4.213 1.00 . A A . 5 PHE HE1 1 1
3 527 1 1 5 PHE HE2 H -2.411 1.885 5.835 1.00 . A A . 5 PHE HE2 1 1
3 528 1 1 5 PHE HZ H -1.214 -0.249 5.959 1.00 . A A . 5 PHE HZ 1 1
3 529 1 1 5 PHE N N -0.470 1.360 0.208 1.00 . A A . 5 PHE N 1 1
3 530 1 1 5 PHE O O -0.260 3.295 -1.686 1.00 . A A . 5 PHE O 1 1
3 531 1 1 6 DTR C C 1.096 5.893 -1.539 1.00 . A A . 6 DTR C 1 1
3 532 1 1 6 DTR CA C -0.380 6.022 -1.161 1.00 . A A . 6 DTR CA 1 1
3 533 1 1 6 DTR CB C -1.323 5.839 -2.352 1.00 . A A . 6 DTR CB 1 1
3 534 1 1 6 DTR CD1 C -3.482 7.070 -1.655 1.00 . A A . 6 DTR CD1 1 1
3 535 1 1 6 DTR CD2 C -2.507 7.955 -3.435 1.00 . A A . 6 DTR CD2 1 1
3 536 1 1 6 DTR CE2 C -3.639 8.698 -3.172 1.00 . A A . 6 DTR CE2 1 1
3 537 1 1 6 DTR CE3 C -1.661 8.265 -4.514 1.00 . A A . 6 DTR CE3 1 1
3 538 1 1 6 DTR CG C -2.415 6.905 -2.450 1.00 . A A . 6 DTR CG 1 1
3 539 1 1 6 DTR CH2 C -3.201 10.130 -5.022 1.00 . A A . 6 DTR CH2 1 1
3 540 1 1 6 DTR CZ2 C -4.028 9.802 -3.943 1.00 . A A . 6 DTR CZ2 1 1
3 541 1 1 6 DTR CZ3 C -2.064 9.370 -5.275 1.00 . A A . 6 DTR CZ3 1 1
3 542 1 1 6 DTR H H -0.982 5.271 0.687 1.00 . A A . 6 DTR H 1 1
3 543 1 1 6 DTR HA H -0.553 6.960 -0.633 1.00 . A A . 6 DTR HA 1 1
3 544 1 1 6 DTR HB2 H -0.736 5.850 -3.271 1.00 . A A . 6 DTR HB2 1 1
3 545 1 1 6 DTR HB3 H -1.792 4.857 -2.283 1.00 . A A . 6 DTR HB3 1 1
3 546 1 1 6 DTR HD1 H -3.714 6.434 -0.800 1.00 . A A . 6 DTR HD1 1 1
3 547 1 1 6 DTR HE1 H -5.169 8.492 -1.582 1.00 . A A . 6 DTR HE1 1 1
3 548 1 1 6 DTR HE3 H -0.762 7.693 -4.741 1.00 . A A . 6 DTR HE3 1 1
3 549 1 1 6 DTR HH2 H -3.447 10.978 -5.663 1.00 . A A . 6 DTR HH2 1 1
3 550 1 1 6 DTR HZ2 H -4.928 10.373 -3.714 1.00 . A A . 6 DTR HZ2 1 1
3 551 1 1 6 DTR HZ3 H -1.444 9.655 -6.124 1.00 . A A . 6 DTR HZ3 1 1
3 552 1 1 6 DTR N N -0.699 4.960 -0.220 1.00 . A A . 6 DTR N 1 1
3 553 1 1 6 DTR NE1 N -4.252 8.143 -2.054 1.00 . A A . 6 DTR NE1 1 1
3 554 1 1 6 DTR O O 1.945 6.592 -0.990 1.00 . A A . 6 DTR O 1 1
3 555 1 1 7 IAM C C 3.720 4.969 -1.799 1.00 . A A . 7 IAM C 1 1
3 556 1 1 7 IAM CA C 2.717 4.761 -2.933 1.00 . A A . 7 IAM CA 1 1
3 557 1 1 7 IAM CB C 2.994 5.780 -4.039 1.00 . A A . 7 IAM CB 1 1
3 558 1 1 7 IAM CD1 C 1.754 6.088 -6.193 1.00 . A A . 7 IAM CD1 1 1
3 559 1 1 7 IAM CD2 C 3.029 4.127 -5.918 1.00 . A A . 7 IAM CD2 1 1
3 560 1 1 7 IAM CE1 C 1.367 5.656 -7.489 1.00 . A A . 7 IAM CE1 1 1
3 561 1 1 7 IAM CE2 C 2.644 3.694 -7.216 1.00 . A A . 7 IAM CE2 1 1
3 562 1 1 7 IAM CG C 2.577 5.314 -5.435 1.00 . A A . 7 IAM CG 1 1
3 563 1 1 7 IAM CI C -0.888 2.937 -8.943 1.00 . A A . 7 IAM CI 1 1
3 564 1 1 7 IAM CK1 C -2.343 3.411 -8.769 1.00 . A A . 7 IAM CK1 1 1
3 565 1 1 7 IAM CK2 C -0.319 2.508 -7.578 1.00 . A A . 7 IAM CK2 1 1
3 566 1 1 7 IAM CT C 1.402 4.000 -9.379 1.00 . A A . 7 IAM CT 1 1
3 567 1 1 7 IAM CZ C 1.820 4.468 -7.972 1.00 . A A . 7 IAM CZ 1 1
3 568 1 1 7 IAM H H 0.661 4.427 -2.917 1.00 . A A . 7 IAM H 1 1
3 569 1 1 7 IAM HA H 2.770 3.727 -3.277 1.00 . A A . 7 IAM HA 1 1
3 570 1 1 7 IAM HB H 2.471 6.706 -3.806 1.00 . A A . 7 IAM HB 1 1
3 571 1 1 7 IAM HB1 H 4.059 6.011 -4.048 1.00 . A A . 7 IAM HB1 1 1
3 572 1 1 7 IAM HD1 H 1.391 7.040 -5.805 1.00 . A A . 7 IAM HD1 1 1
3 573 1 1 7 IAM HD2 H 3.688 3.506 -5.311 1.00 . A A . 7 IAM HD2 1 1
3 574 1 1 7 IAM HE1 H 0.709 6.276 -8.098 1.00 . A A . 7 IAM HE1 1 1
3 575 1 1 7 IAM HE2 H 3.007 2.742 -7.605 1.00 . A A . 7 IAM HE2 1 1
3 576 1 1 7 IAM HH H -0.530 4.842 -9.953 1.00 . A A . 7 IAM HH 1 1
3 577 1 1 7 IAM HI H -0.863 2.107 -9.617 1.00 . A A . 7 IAM HI 1 1
3 578 1 1 7 IAM HK11 H -2.369 4.242 -8.093 1.00 . A A . 7 IAM HK11 1 1
3 579 1 1 7 IAM HK12 H -2.737 3.710 -9.716 1.00 . A A . 7 IAM HK12 1 1
3 580 1 1 7 IAM HK13 H -2.934 2.612 -8.371 1.00 . A A . 7 IAM HK13 1 1
3 581 1 1 7 IAM HK21 H 0.691 2.179 -7.701 1.00 . A A . 7 IAM HK21 1 1
3 582 1 1 7 IAM HK22 H -0.343 3.337 -6.904 1.00 . A A . 7 IAM HK22 1 1
3 583 1 1 7 IAM HK23 H -0.908 1.709 -7.180 1.00 . A A . 7 IAM HK23 1 1
3 584 1 1 7 IAM HT1 H 1.746 2.998 -9.538 1.00 . A A . 7 IAM HT1 1 1
3 585 1 1 7 IAM HT2 H 1.834 4.648 -10.114 1.00 . A A . 7 IAM HT2 1 1
3 586 1 1 7 IAM N N 1.356 4.991 -2.475 1.00 . A A . 7 IAM N 1 1
3 587 1 1 7 IAM NH N -0.071 4.042 -9.492 1.00 . A A . 7 IAM NH 1 1
3 588 1 1 7 IAM O O 4.697 5.702 -1.955 1.00 . A A . 7 IAM O 1 1
3 589 1 1 8 THR C C 4.554 3.037 1.093 1.00 . A A . 8 THR C 1 1
3 590 1 1 8 THR CA C 4.315 4.419 0.480 1.00 . A A . 8 THR CA 1 1
3 591 1 1 8 THR CB C 3.682 5.414 1.455 1.00 . A A . 8 THR CB 1 1
3 592 1 1 8 THR CG2 C 2.431 4.854 2.135 1.00 . A A . 8 THR CG2 1 1
3 593 1 1 8 THR H H 2.651 3.720 -0.561 1.00 . A A . 8 THR H 1 1
3 594 1 1 8 THR HA H 5.285 4.796 0.153 1.00 . A A . 8 THR HA 1 1
3 595 1 1 8 THR HB H 3.465 6.360 0.959 1.00 . A A . 8 THR HB 1 1
3 596 1 1 8 THR HG1 H 4.824 4.614 2.891 1.00 . A A . 8 THR HG1 1 1
3 597 1 1 8 THR HG21 H 2.316 5.312 3.117 1.00 . A A . 8 THR HG21 1 1
3 598 1 1 8 THR HG22 H 1.556 5.077 1.525 1.00 . A A . 8 THR HG22 1 1
3 599 1 1 8 THR HG23 H 2.531 3.774 2.247 1.00 . A A . 8 THR HG23 1 1
3 600 1 1 8 THR N N 3.447 4.313 -0.680 1.00 . A A . 8 THR N 1 1
3 601 1 1 8 THR O O 4.541 2.029 0.388 1.00 . A A . 8 THR O 1 1
3 602 1 1 8 THR OG1 O 4.634 5.519 2.511 1.00 . A A . 8 THR OG1 1 1
3 603 1 1 9 PHE C C 4.045 0.698 2.659 1.00 . A A . 9 PHE C 1 1
3 604 1 1 9 PHE CA C 5.011 1.794 3.117 1.00 . A A . 9 PHE CA 1 1
3 605 1 1 9 PHE CB C 4.773 2.080 4.601 1.00 . A A . 9 PHE CB 1 1
3 606 1 1 9 PHE CD1 C 2.379 2.747 4.910 1.00 . A A . 9 PHE CD1 1 1
3 607 1 1 9 PHE CD2 C 4.025 4.426 5.058 1.00 . A A . 9 PHE CD2 1 1
3 608 1 1 9 PHE CE1 C 1.369 3.714 5.155 1.00 . A A . 9 PHE CE1 1 1
3 609 1 1 9 PHE CE2 C 3.015 5.394 5.304 1.00 . A A . 9 PHE CE2 1 1
3 610 1 1 9 PHE CG C 3.685 3.122 4.867 1.00 . A A . 9 PHE CG 1 1
3 611 1 1 9 PHE CZ C 1.709 5.018 5.348 1.00 . A A . 9 PHE CZ 1 1
3 612 1 1 9 PHE H H 4.777 3.859 2.968 1.00 . A A . 9 PHE H 1 1
3 613 1 1 9 PHE HA H 6.034 1.487 2.897 1.00 . A A . 9 PHE HA 1 1
3 614 1 1 9 PHE HB2 H 4.501 1.150 5.101 1.00 . A A . 9 PHE HB2 1 1
3 615 1 1 9 PHE HB3 H 5.707 2.422 5.050 1.00 . A A . 9 PHE HB3 1 1
3 616 1 1 9 PHE HD1 H 2.107 1.703 4.757 1.00 . A A . 9 PHE HD1 1 1
3 617 1 1 9 PHE HD2 H 5.072 4.726 5.024 1.00 . A A . 9 PHE HD2 1 1
3 618 1 1 9 PHE HE1 H 0.322 3.414 5.190 1.00 . A A . 9 PHE HE1 1 1
3 619 1 1 9 PHE HE2 H 3.288 6.438 5.459 1.00 . A A . 9 PHE HE2 1 1
3 620 1 1 9 PHE HZ H 0.935 5.760 5.537 1.00 . A A . 9 PHE HZ 1 1
3 621 1 1 9 PHE N N 4.769 3.034 2.401 1.00 . A A . 9 PHE N 1 1
3 622 1 1 9 PHE O O 2.970 0.992 2.138 1.00 . A A . 9 PHE O 1 1
3 623 1 1 10 LYS C C 3.133 -2.381 3.744 1.00 . A A . 10 LYS C 1 1
3 624 1 1 10 LYS CA C 3.650 -1.681 2.486 1.00 . A A . 10 LYS CA 1 1
3 625 1 1 10 LYS CB C 4.428 -2.602 1.544 1.00 . A A . 10 LYS CB 1 1
3 626 1 1 10 LYS CD C 4.348 -2.018 -0.908 1.00 . A A . 10 LYS CD 1 1
3 627 1 1 10 LYS CE C 4.555 -3.441 -1.427 1.00 . A A . 10 LYS CE 1 1
3 628 1 1 10 LYS CG C 5.086 -1.805 0.416 1.00 . A A . 10 LYS CG 1 1
3 629 1 1 10 LYS H H 5.340 -0.771 3.294 1.00 . A A . 10 LYS H 1 1
3 630 1 1 10 LYS HA H 2.795 -1.298 1.929 1.00 . A A . 10 LYS HA 1 1
3 631 1 1 10 LYS HB2 H 5.191 -3.142 2.106 1.00 . A A . 10 LYS HB2 1 1
3 632 1 1 10 LYS HB3 H 3.757 -3.349 1.123 1.00 . A A . 10 LYS HB3 1 1
3 633 1 1 10 LYS HD2 H 3.283 -1.829 -0.769 1.00 . A A . 10 LYS HD2 1 1
3 634 1 1 10 LYS HD3 H 4.705 -1.301 -1.647 1.00 . A A . 10 LYS HD3 1 1
3 635 1 1 10 LYS HE2 H 5.496 -3.501 -1.975 1.00 . A A . 10 LYS HE2 1 1
3 636 1 1 10 LYS HE3 H 4.630 -4.134 -0.589 1.00 . A A . 10 LYS HE3 1 1
3 637 1 1 10 LYS HG2 H 5.091 -0.745 0.669 1.00 . A A . 10 LYS HG2 1 1
3 638 1 1 10 LYS HG3 H 6.127 -2.111 0.309 1.00 . A A . 10 LYS HG3 1 1
3 639 1 1 10 LYS HZ3 H 2.803 -4.469 -1.797 1.00 . A A . 10 LYS HZ3 1 1
3 640 1 1 10 LYS N N 4.463 -0.541 2.871 1.00 . A A . 10 LYS N 1 1
3 641 1 1 10 LYS NZ N 3.436 -3.838 -2.309 1.00 . A A . 10 LYS NZ 1 1
3 642 1 1 10 LYS O O 3.780 -2.339 4.791 1.00 . A A . 10 LYS O 1 1
3 643 1 1 11 SER C C 1.476 -5.229 4.495 1.00 . A A . 11 SER C 1 1
3 644 1 1 11 SER CA C 1.366 -3.719 4.714 1.00 . A A . 11 SER CA 1 1
3 645 1 1 11 SER CB C -0.107 -3.276 4.896 1.00 . A A . 11 SER CB 1 1
3 646 1 1 11 SER H H 1.457 -3.039 2.747 1.00 . A A . 11 SER H 1 1
3 647 1 1 11 SER HA H 1.918 -3.489 5.645 1.00 . A A . 11 SER HA 1 1
3 648 1 1 11 SER HB2 H -0.404 -2.616 4.056 1.00 . A A . 11 SER HB2 1 1
3 649 1 1 11 SER HB3 H -0.795 -4.141 4.836 1.00 . A A . 11 SER HB3 1 1
3 650 1 1 11 SER HG H -0.139 -3.179 6.840 1.00 . A A . 11 SER HG 1 1
3 651 1 1 11 SER N N 1.977 -3.009 3.601 1.00 . A A . 11 SER N 1 1
3 652 1 1 11 SER O O 2.368 -5.876 5.043 1.00 . A A . 11 SER O 1 1
3 653 1 1 11 SER OG O -0.330 -2.570 6.122 1.00 . A A . 11 SER OG 1 1
3 654 1 1 12 CYS C C 0.789 -7.935 4.696 1.00 . A A . 12 CYS C 1 1
3 655 1 1 12 CYS CA C 0.541 -7.169 3.396 1.00 . A A . 12 CYS CA 1 1
3 656 1 1 12 CYS CB C 1.560 -7.533 2.314 1.00 . A A . 12 CYS CB 1 1
3 657 1 1 12 CYS H H -0.164 -5.214 3.252 1.00 . A A . 12 CYS H 1 1
3 658 1 1 12 CYS HA H -0.449 -7.393 2.998 1.00 . A A . 12 CYS HA 1 1
3 659 1 1 12 CYS HB2 H 1.579 -6.736 1.570 1.00 . A A . 12 CYS HB2 1 1
3 660 1 1 12 CYS HB3 H 2.551 -7.569 2.767 1.00 . A A . 12 CYS HB3 1 1
3 661 1 1 12 CYS N N 0.557 -5.748 3.693 1.00 . A A . 12 CYS N 1 1
3 662 1 1 12 CYS O O 1.611 -8.967 4.701 1.00 . A A . 12 CYS O 1 1
3 663 1 1 12 CYS SG S 1.244 -9.123 1.464 1.00 . A A . 12 CYS SG 1 1
4 664 1 1 1 TYR C C -3.165 -7.014 1.250 1.00 . A A . 1 TYR C 1 1
4 665 1 1 1 TYR CA C -4.308 -8.020 1.403 1.00 . A A . 1 TYR CA 1 1
4 666 1 1 1 TYR CB C -4.985 -8.217 0.046 1.00 . A A . 1 TYR CB 1 1
4 667 1 1 1 TYR CD1 C -6.465 -6.181 -0.090 1.00 . A A . 1 TYR CD1 1 1
4 668 1 1 1 TYR CD2 C -7.497 -8.336 -0.142 1.00 . A A . 1 TYR CD2 1 1
4 669 1 1 1 TYR CE1 C -7.760 -5.559 -0.195 1.00 . A A . 1 TYR CE1 1 1
4 670 1 1 1 TYR CE2 C -8.791 -7.716 -0.246 1.00 . A A . 1 TYR CE2 1 1
4 671 1 1 1 TYR CG C -6.361 -7.556 -0.066 1.00 . A A . 1 TYR CG 1 1
4 672 1 1 1 TYR CZ C -8.859 -6.357 -0.268 1.00 . A A . 1 TYR CZ 1 1
4 673 1 1 1 TYR H1 H -6.237 -7.960 2.072 1.00 . A A . 1 TYR H1 1 1
4 674 1 1 1 TYR H2 H -5.080 -7.718 3.269 1.00 . A A . 1 TYR H2 1 1
4 675 1 1 1 TYR H3 H -5.158 -6.601 2.669 1.00 . A A . 1 TYR H3 1 1
4 676 1 1 1 TYR HA H -3.915 -8.942 1.835 1.00 . A A . 1 TYR HA 1 1
4 677 1 1 1 TYR HB2 H -4.337 -7.815 -0.734 1.00 . A A . 1 TYR HB2 1 1
4 678 1 1 1 TYR HB3 H -5.090 -9.285 -0.146 1.00 . A A . 1 TYR HB3 1 1
4 679 1 1 1 TYR HD1 H -5.568 -5.564 -0.031 1.00 . A A . 1 TYR HD1 1 1
4 680 1 1 1 TYR HD2 H -7.413 -9.423 -0.122 1.00 . A A . 1 TYR HD2 1 1
4 681 1 1 1 TYR HE1 H -7.858 -4.473 -0.217 1.00 . A A . 1 TYR HE1 1 1
4 682 1 1 1 TYR HE2 H -9.696 -8.320 -0.308 1.00 . A A . 1 TYR HE2 1 1
4 683 1 1 1 TYR HH H -10.801 -6.459 -0.272 1.00 . A A . 1 TYR HH 1 1
4 684 1 1 1 TYR N N -5.337 -7.511 2.294 1.00 . A A . 1 TYR N 1 1
4 685 1 1 1 TYR O O -3.062 -6.067 2.027 1.00 . A A . 1 TYR O 1 1
4 686 1 1 1 TYR OH O -10.083 -5.770 -0.367 1.00 . A A . 1 TYR OH 1 1
4 687 1 1 2 CYS C C -1.745 -4.992 -0.366 1.00 . A A . 2 CYS C 1 1
4 688 1 1 2 CYS CA C -1.207 -6.381 -0.022 1.00 . A A . 2 CYS CA 1 1
4 689 1 1 2 CYS CB C -0.310 -6.937 -1.129 1.00 . A A . 2 CYS CB 1 1
4 690 1 1 2 CYS H H -2.431 -8.028 -0.384 1.00 . A A . 2 CYS H 1 1
4 691 1 1 2 CYS HA H -0.617 -6.351 0.892 1.00 . A A . 2 CYS HA 1 1
4 692 1 1 2 CYS HB2 H -0.772 -7.838 -1.534 1.00 . A A . 2 CYS HB2 1 1
4 693 1 1 2 CYS HB3 H -0.264 -6.211 -1.941 1.00 . A A . 2 CYS HB3 1 1
4 694 1 1 2 CYS N N -2.338 -7.255 0.243 1.00 . A A . 2 CYS N 1 1
4 695 1 1 2 CYS O O -2.582 -4.849 -1.258 1.00 . A A . 2 CYS O 1 1
4 696 1 1 2 CYS SG S 1.397 -7.338 -0.604 1.00 . A A . 2 CYS SG 1 1
4 697 1 1 3 LYS C C -0.456 -1.701 0.285 1.00 . A A . 3 LYS C 1 1
4 698 1 1 3 LYS CA C -1.664 -2.628 0.137 1.00 . A A . 3 LYS CA 1 1
4 699 1 1 3 LYS CB C -2.830 -2.269 1.060 1.00 . A A . 3 LYS CB 1 1
4 700 1 1 3 LYS CD C -3.585 -2.060 3.458 1.00 . A A . 3 LYS CD 1 1
4 701 1 1 3 LYS CE C -4.271 -3.227 4.170 1.00 . A A . 3 LYS CE 1 1
4 702 1 1 3 LYS CG C -2.485 -2.562 2.522 1.00 . A A . 3 LYS CG 1 1
4 703 1 1 3 LYS H H -0.564 -4.125 1.079 1.00 . A A . 3 LYS H 1 1
4 704 1 1 3 LYS HA H -2.030 -2.557 -0.886 1.00 . A A . 3 LYS HA 1 1
4 705 1 1 3 LYS HB2 H -3.078 -1.214 0.947 1.00 . A A . 3 LYS HB2 1 1
4 706 1 1 3 LYS HB3 H -3.715 -2.836 0.772 1.00 . A A . 3 LYS HB3 1 1
4 707 1 1 3 LYS HD2 H -3.160 -1.379 4.194 1.00 . A A . 3 LYS HD2 1 1
4 708 1 1 3 LYS HD3 H -4.322 -1.494 2.888 1.00 . A A . 3 LYS HD3 1 1
4 709 1 1 3 LYS HE2 H -3.663 -4.126 4.078 1.00 . A A . 3 LYS HE2 1 1
4 710 1 1 3 LYS HE3 H -4.361 -3.010 5.234 1.00 . A A . 3 LYS HE3 1 1
4 711 1 1 3 LYS HG2 H -2.345 -3.634 2.659 1.00 . A A . 3 LYS HG2 1 1
4 712 1 1 3 LYS HG3 H -1.539 -2.082 2.778 1.00 . A A . 3 LYS HG3 1 1
4 713 1 1 3 LYS HZ1 H -6.222 -3.959 4.241 1.00 . A A . 3 LYS HZ1 1 1
4 714 1 1 3 LYS HZ2 H -6.084 -2.603 3.351 1.00 . A A . 3 LYS HZ2 1 1
4 715 1 1 3 LYS N N -1.244 -4.001 0.356 1.00 . A A . 3 LYS N 1 1
4 716 1 1 3 LYS NZ N -5.614 -3.468 3.595 1.00 . A A . 3 LYS NZ 1 1
4 717 1 1 3 LYS O O 0.068 -1.527 1.384 1.00 . A A . 3 LYS O 1 1
4 718 1 1 4 . C C 0.636 1.202 -0.527 1.00 . A A . 4 ILG C 1 1
4 719 1 1 4 . CA C 1.089 -0.223 -0.847 1.00 . A A . 4 ILG CA 1 1
4 720 1 1 4 . CB C 1.833 -0.284 -2.210 1.00 . A A . 4 ILG CB 1 1
4 721 1 1 4 . CD C 2.842 -1.843 -4.112 1.00 . A A . 4 ILG CD 1 1
4 722 1 1 4 . CG C 1.862 -1.662 -2.950 1.00 . A A . 4 ILG CG 1 1
4 723 1 1 4 . H H -0.479 -1.274 -1.729 1.00 . A A . 4 ILG H 1 1
4 724 1 1 4 . HA H 1.768 -0.550 -0.039 1.00 . A A . 4 ILG HA 1 1
4 725 1 1 4 . HB2 H 1.391 0.468 -2.891 1.00 . A A . 4 ILG HB2 1 1
4 726 1 1 4 . HB3 H 2.874 0.065 -2.061 1.00 . A A . 4 ILG HB3 1 1
4 727 1 1 4 . HG2 H 2.075 -2.470 -2.226 1.00 . A A . 4 ILG HG2 1 1
4 728 1 1 4 . HG3 H 0.856 -1.906 -3.340 1.00 . A A . 4 ILG HG3 1 1
4 729 1 1 4 . N N -0.047 -1.128 -0.839 1.00 . A A . 4 ILG N 1 1
4 730 1 1 4 . O O 1.402 2.152 -0.684 1.00 . A A . 4 ILG O 1 1
4 731 1 1 4 . OE1 O 2.957 -2.893 -4.729 1.00 . A A . 4 ILG OE1 1 1
4 732 1 1 5 PHE C C -0.793 3.659 -0.772 1.00 . A A . 5 PHE C 1 1
4 733 1 1 5 PHE CA C -1.173 2.600 0.263 1.00 . A A . 5 PHE CA 1 1
4 734 1 1 5 PHE CB C -0.588 2.996 1.620 1.00 . A A . 5 PHE CB 1 1
4 735 1 1 5 PHE CD1 C -1.999 1.914 3.382 1.00 . A A . 5 PHE CD1 1 1
4 736 1 1 5 PHE CD2 C 0.178 1.081 3.040 1.00 . A A . 5 PHE CD2 1 1
4 737 1 1 5 PHE CE1 C -2.206 0.949 4.404 1.00 . A A . 5 PHE CE1 1 1
4 738 1 1 5 PHE CE2 C -0.029 0.117 4.061 1.00 . A A . 5 PHE CE2 1 1
4 739 1 1 5 PHE CG C -0.811 1.959 2.721 1.00 . A A . 5 PHE CG 1 1
4 740 1 1 5 PHE CZ C -1.218 0.073 4.722 1.00 . A A . 5 PHE CZ 1 1
4 741 1 1 5 PHE H H -1.225 0.530 0.044 1.00 . A A . 5 PHE H 1 1
4 742 1 1 5 PHE HA H -2.258 2.485 0.280 1.00 . A A . 5 PHE HA 1 1
4 743 1 1 5 PHE HB2 H 0.484 3.168 1.505 1.00 . A A . 5 PHE HB2 1 1
4 744 1 1 5 PHE HB3 H -1.029 3.943 1.931 1.00 . A A . 5 PHE HB3 1 1
4 745 1 1 5 PHE HD1 H -2.791 2.618 3.127 1.00 . A A . 5 PHE HD1 1 1
4 746 1 1 5 PHE HD2 H 1.130 1.118 2.510 1.00 . A A . 5 PHE HD2 1 1
4 747 1 1 5 PHE HE1 H -3.159 0.914 4.934 1.00 . A A . 5 PHE HE1 1 1
4 748 1 1 5 PHE HE2 H 0.764 -0.587 4.316 1.00 . A A . 5 PHE HE2 1 1
4 749 1 1 5 PHE HZ H -1.376 -0.667 5.508 1.00 . A A . 5 PHE HZ 1 1
4 750 1 1 5 PHE N N -0.608 1.307 -0.082 1.00 . A A . 5 PHE N 1 1
4 751 1 1 5 PHE O O -0.420 3.328 -1.897 1.00 . A A . 5 PHE O 1 1
4 752 1 1 6 DTR C C 0.919 5.931 -1.576 1.00 . A A . 6 DTR C 1 1
4 753 1 1 6 DTR CA C -0.570 6.023 -1.238 1.00 . A A . 6 DTR CA 1 1
4 754 1 1 6 DTR CB C -1.473 5.883 -2.465 1.00 . A A . 6 DTR CB 1 1
4 755 1 1 6 DTR CD1 C -3.720 7.059 -1.983 1.00 . A A . 6 DTR CD1 1 1
4 756 1 1 6 DTR CD2 C -2.437 8.174 -3.404 1.00 . A A . 6 DTR CD2 1 1
4 757 1 1 6 DTR CE2 C -3.596 8.903 -3.234 1.00 . A A . 6 DTR CE2 1 1
4 758 1 1 6 DTR CE3 C -1.409 8.617 -4.253 1.00 . A A . 6 DTR CE3 1 1
4 759 1 1 6 DTR CG C -2.528 6.984 -2.591 1.00 . A A . 6 DTR CG 1 1
4 760 1 1 6 DTR CH2 C -2.828 10.583 -4.734 1.00 . A A . 6 DTR CH2 1 1
4 761 1 1 6 DTR CZ2 C -3.837 10.120 -3.884 1.00 . A A . 6 DTR CZ2 1 1
4 762 1 1 6 DTR CZ3 C -1.666 9.836 -4.893 1.00 . A A . 6 DTR CZ3 1 1
4 763 1 1 6 DTR H H -1.203 5.175 0.557 1.00 . A A . 6 DTR H 1 1
4 764 1 1 6 DTR HA H -0.775 6.932 -0.674 1.00 . A A . 6 DTR HA 1 1
4 765 1 1 6 DTR HB2 H -0.853 5.883 -3.362 1.00 . A A . 6 DTR HB2 1 1
4 766 1 1 6 DTR HB3 H -1.976 4.916 -2.426 1.00 . A A . 6 DTR HB3 1 1
4 767 1 1 6 DTR HD1 H -4.104 6.310 -1.290 1.00 . A A . 6 DTR HD1 1 1
4 768 1 1 6 DTR HE1 H -5.389 8.504 -1.993 1.00 . A A . 6 DTR HE1 1 1
4 769 1 1 6 DTR HE3 H -0.485 8.058 -4.401 1.00 . A A . 6 DTR HE3 1 1
4 770 1 1 6 DTR HH2 H -2.951 11.524 -5.270 1.00 . A A . 6 DTR HH2 1 1
4 771 1 1 6 DTR HZ2 H -4.762 10.678 -3.733 1.00 . A A . 6 DTR HZ2 1 1
4 772 1 1 6 DTR HZ3 H -0.901 10.227 -5.566 1.00 . A A . 6 DTR HZ3 1 1
4 773 1 1 6 DTR N N -0.900 4.913 -0.357 1.00 . A A . 6 DTR N 1 1
4 774 1 1 6 DTR NE1 N -4.402 8.203 -2.343 1.00 . A A . 6 DTR NE1 1 1
4 775 1 1 6 DTR O O 1.736 6.643 -0.993 1.00 . A A . 6 DTR O 1 1
4 776 1 1 7 IAM C C 3.572 5.104 -1.783 1.00 . A A . 7 IAM C 1 1
4 777 1 1 7 IAM CA C 2.602 4.857 -2.940 1.00 . A A . 7 IAM CA 1 1
4 778 1 1 7 IAM CB C 2.879 5.878 -4.046 1.00 . A A . 7 IAM CB 1 1
4 779 1 1 7 IAM CD1 C 3.402 4.545 -6.101 1.00 . A A . 7 IAM CD1 1 1
4 780 1 1 7 IAM CD2 C 1.387 5.763 -6.053 1.00 . A A . 7 IAM CD2 1 1
4 781 1 1 7 IAM CE1 C 3.091 4.079 -7.406 1.00 . A A . 7 IAM CE1 1 1
4 782 1 1 7 IAM CE2 C 1.075 5.297 -7.359 1.00 . A A . 7 IAM CE2 1 1
4 783 1 1 7 IAM CG C 2.544 5.376 -5.452 1.00 . A A . 7 IAM CG 1 1
4 784 1 1 7 IAM CI C -0.518 2.535 -9.193 1.00 . A A . 7 IAM CI 1 1
4 785 1 1 7 IAM CK1 C -1.832 2.820 -8.440 1.00 . A A . 7 IAM CK1 1 1
4 786 1 1 7 IAM CK2 C 0.423 1.716 -8.292 1.00 . A A . 7 IAM CK2 1 1
4 787 1 1 7 IAM CT C 1.598 3.961 -9.422 1.00 . A A . 7 IAM CT 1 1
4 788 1 1 7 IAM CZ C 1.935 4.467 -8.008 1.00 . A A . 7 IAM CZ 1 1
4 789 1 1 7 IAM H H 0.556 4.476 -2.986 1.00 . A A . 7 IAM H 1 1
4 790 1 1 7 IAM HA H 2.695 3.825 -3.275 1.00 . A A . 7 IAM HA 1 1
4 791 1 1 7 IAM HB H 2.301 6.780 -3.847 1.00 . A A . 7 IAM HB 1 1
4 792 1 1 7 IAM HB1 H 3.930 6.159 -4.013 1.00 . A A . 7 IAM HB1 1 1
4 793 1 1 7 IAM HD1 H 4.330 4.237 -5.618 1.00 . A A . 7 IAM HD1 1 1
4 794 1 1 7 IAM HD2 H 0.698 6.429 -5.535 1.00 . A A . 7 IAM HD2 1 1
4 795 1 1 7 IAM HE1 H 3.780 3.413 -7.926 1.00 . A A . 7 IAM HE1 1 1
4 796 1 1 7 IAM HE2 H 0.147 5.605 -7.841 1.00 . A A . 7 IAM HE2 1 1
4 797 1 1 7 IAM HH H -0.437 4.602 -9.894 1.00 . A A . 7 IAM HH 1 1
4 798 1 1 7 IAM HI H -0.732 1.981 -10.084 1.00 . A A . 7 IAM HI 1 1
4 799 1 1 7 IAM HK11 H -1.619 3.375 -7.549 1.00 . A A . 7 IAM HK11 1 1
4 800 1 1 7 IAM HK12 H -2.485 3.390 -9.067 1.00 . A A . 7 IAM HK12 1 1
4 801 1 1 7 IAM HK13 H -2.303 1.896 -8.179 1.00 . A A . 7 IAM HK13 1 1
4 802 1 1 7 IAM HK21 H 1.335 1.519 -8.815 1.00 . A A . 7 IAM HK21 1 1
4 803 1 1 7 IAM HK22 H 0.638 2.269 -7.401 1.00 . A A . 7 IAM HK22 1 1
4 804 1 1 7 IAM HK23 H -0.045 0.791 -8.030 1.00 . A A . 7 IAM HK23 1 1
4 805 1 1 7 IAM HT1 H 2.069 3.013 -9.584 1.00 . A A . 7 IAM HT1 1 1
4 806 1 1 7 IAM HT2 H 1.950 4.666 -10.148 1.00 . A A . 7 IAM HT2 1 1
4 807 1 1 7 IAM N N 1.226 5.051 -2.517 1.00 . A A . 7 IAM N 1 1
4 808 1 1 7 IAM NH N 0.132 3.813 -9.552 1.00 . A A . 7 IAM NH 1 1
4 809 1 1 7 IAM O O 4.495 5.910 -1.901 1.00 . A A . 7 IAM O 1 1
4 810 1 1 8 THR C C 4.541 3.147 1.035 1.00 . A A . 8 THR C 1 1
4 811 1 1 8 THR CA C 4.171 4.527 0.489 1.00 . A A . 8 THR CA 1 1
4 812 1 1 8 THR CB C 3.433 5.402 1.503 1.00 . A A . 8 THR CB 1 1
4 813 1 1 8 THR CG2 C 2.205 4.705 2.097 1.00 . A A . 8 THR CG2 1 1
4 814 1 1 8 THR H H 2.579 3.741 -0.601 1.00 . A A . 8 THR H 1 1
4 815 1 1 8 THR HA H 5.101 5.014 0.195 1.00 . A A . 8 THR HA 1 1
4 816 1 1 8 THR HB H 3.159 6.362 1.061 1.00 . A A . 8 THR HB 1 1
4 817 1 1 8 THR HG1 H 4.584 4.593 2.924 1.00 . A A . 8 THR HG1 1 1
4 818 1 1 8 THR HG21 H 2.024 5.086 3.101 1.00 . A A . 8 THR HG21 1 1
4 819 1 1 8 THR HG22 H 1.336 4.904 1.471 1.00 . A A . 8 THR HG22 1 1
4 820 1 1 8 THR HG23 H 2.386 3.631 2.141 1.00 . A A . 8 THR HG23 1 1
4 821 1 1 8 THR N N 3.331 4.395 -0.689 1.00 . A A . 8 THR N 1 1
4 822 1 1 8 THR O O 4.775 2.213 0.270 1.00 . A A . 8 THR O 1 1
4 823 1 1 8 THR OG1 O 4.338 5.505 2.598 1.00 . A A . 8 THR OG1 1 1
4 824 1 1 9 PHE C C 4.062 0.662 2.487 1.00 . A A . 9 PHE C 1 1
4 825 1 1 9 PHE CA C 4.922 1.811 3.017 1.00 . A A . 9 PHE CA 1 1
4 826 1 1 9 PHE CB C 4.637 2.001 4.508 1.00 . A A . 9 PHE CB 1 1
4 827 1 1 9 PHE CD1 C 2.151 2.219 4.706 1.00 . A A . 9 PHE CD1 1 1
4 828 1 1 9 PHE CD2 C 3.470 4.119 5.158 1.00 . A A . 9 PHE CD2 1 1
4 829 1 1 9 PHE CE1 C 0.977 2.970 4.979 1.00 . A A . 9 PHE CE1 1 1
4 830 1 1 9 PHE CE2 C 2.296 4.869 5.432 1.00 . A A . 9 PHE CE2 1 1
4 831 1 1 9 PHE CG C 3.372 2.810 4.802 1.00 . A A . 9 PHE CG 1 1
4 832 1 1 9 PHE CZ C 1.074 4.278 5.336 1.00 . A A . 9 PHE CZ 1 1
4 833 1 1 9 PHE H H 4.393 3.827 2.973 1.00 . A A . 9 PHE H 1 1
4 834 1 1 9 PHE HA H 5.971 1.606 2.801 1.00 . A A . 9 PHE HA 1 1
4 835 1 1 9 PHE HB2 H 4.548 1.021 4.978 1.00 . A A . 9 PHE HB2 1 1
4 836 1 1 9 PHE HB3 H 5.490 2.499 4.970 1.00 . A A . 9 PHE HB3 1 1
4 837 1 1 9 PHE HD1 H 2.073 1.170 4.421 1.00 . A A . 9 PHE HD1 1 1
4 838 1 1 9 PHE HD2 H 4.450 4.591 5.234 1.00 . A A . 9 PHE HD2 1 1
4 839 1 1 9 PHE HE1 H -0.003 2.497 4.902 1.00 . A A . 9 PHE HE1 1 1
4 840 1 1 9 PHE HE2 H 2.374 5.918 5.718 1.00 . A A . 9 PHE HE2 1 1
4 841 1 1 9 PHE HZ H 0.172 4.855 5.546 1.00 . A A . 9 PHE HZ 1 1
4 842 1 1 9 PHE N N 4.584 3.062 2.358 1.00 . A A . 9 PHE N 1 1
4 843 1 1 9 PHE O O 3.142 0.882 1.701 1.00 . A A . 9 PHE O 1 1
4 844 1 1 10 LYS C C 3.075 -2.415 3.753 1.00 . A A . 10 LYS C 1 1
4 845 1 1 10 LYS CA C 3.660 -1.723 2.521 1.00 . A A . 10 LYS CA 1 1
4 846 1 1 10 LYS CB C 4.552 -2.630 1.670 1.00 . A A . 10 LYS CB 1 1
4 847 1 1 10 LYS CD C 4.227 -2.271 -0.805 1.00 . A A . 10 LYS CD 1 1
4 848 1 1 10 LYS CE C 5.112 -2.374 -2.049 1.00 . A A . 10 LYS CE 1 1
4 849 1 1 10 LYS CG C 5.055 -1.894 0.426 1.00 . A A . 10 LYS CG 1 1
4 850 1 1 10 LYS H H 5.142 -0.708 3.580 1.00 . A A . 10 LYS H 1 1
4 851 1 1 10 LYS HA H 2.839 -1.393 1.887 1.00 . A A . 10 LYS HA 1 1
4 852 1 1 10 LYS HB2 H 5.401 -2.970 2.264 1.00 . A A . 10 LYS HB2 1 1
4 853 1 1 10 LYS HB3 H 3.995 -3.517 1.372 1.00 . A A . 10 LYS HB3 1 1
4 854 1 1 10 LYS HD2 H 3.723 -3.221 -0.632 1.00 . A A . 10 LYS HD2 1 1
4 855 1 1 10 LYS HD3 H 3.450 -1.525 -0.968 1.00 . A A . 10 LYS HD3 1 1
4 856 1 1 10 LYS HE2 H 6.054 -1.855 -1.877 1.00 . A A . 10 LYS HE2 1 1
4 857 1 1 10 LYS HE3 H 5.354 -3.419 -2.244 1.00 . A A . 10 LYS HE3 1 1
4 858 1 1 10 LYS HG2 H 5.004 -0.818 0.589 1.00 . A A . 10 LYS HG2 1 1
4 859 1 1 10 LYS HG3 H 6.103 -2.142 0.253 1.00 . A A . 10 LYS HG3 1 1
4 860 1 1 10 LYS HZ3 H 4.061 -2.547 -3.819 1.00 . A A . 10 LYS HZ3 1 1
4 861 1 1 10 LYS N N 4.391 -0.537 2.939 1.00 . A A . 10 LYS N 1 1
4 862 1 1 10 LYS NZ N 4.425 -1.791 -3.222 1.00 . A A . 10 LYS NZ 1 1
4 863 1 1 10 LYS O O 3.734 -2.519 4.785 1.00 . A A . 10 LYS O 1 1
4 864 1 1 11 SER C C 0.525 -4.853 4.179 1.00 . A A . 11 SER C 1 1
4 865 1 1 11 SER CA C 1.158 -3.557 4.689 1.00 . A A . 11 SER CA 1 1
4 866 1 1 11 SER CB C 0.103 -2.623 5.333 1.00 . A A . 11 SER CB 1 1
4 867 1 1 11 SER H H 1.310 -2.789 2.758 1.00 . A A . 11 SER H 1 1
4 868 1 1 11 SER HA H 1.893 -3.841 5.464 1.00 . A A . 11 SER HA 1 1
4 869 1 1 11 SER HB2 H -0.450 -2.082 4.540 1.00 . A A . 11 SER HB2 1 1
4 870 1 1 11 SER HB3 H -0.670 -3.205 5.872 1.00 . A A . 11 SER HB3 1 1
4 871 1 1 11 SER HG H 1.091 -2.143 6.941 1.00 . A A . 11 SER HG 1 1
4 872 1 1 11 SER N N 1.841 -2.875 3.602 1.00 . A A . 11 SER N 1 1
4 873 1 1 11 SER O O -0.697 -4.974 4.126 1.00 . A A . 11 SER O 1 1
4 874 1 1 11 SER OG O 0.680 -1.659 6.220 1.00 . A A . 11 SER OG 1 1
4 875 1 1 12 CYS C C 0.561 -7.955 4.507 1.00 . A A . 12 CYS C 1 1
4 876 1 1 12 CYS CA C 0.931 -7.075 3.312 1.00 . A A . 12 CYS CA 1 1
4 877 1 1 12 CYS CB C 1.979 -7.738 2.416 1.00 . A A . 12 CYS CB 1 1
4 878 1 1 12 CYS H H 2.382 -5.685 3.863 1.00 . A A . 12 CYS H 1 1
4 879 1 1 12 CYS HA H 0.056 -6.874 2.695 1.00 . A A . 12 CYS HA 1 1
4 880 1 1 12 CYS HB2 H 2.686 -6.977 2.084 1.00 . A A . 12 CYS HB2 1 1
4 881 1 1 12 CYS HB3 H 2.543 -8.457 3.012 1.00 . A A . 12 CYS HB3 1 1
4 882 1 1 12 CYS N N 1.388 -5.791 3.815 1.00 . A A . 12 CYS N 1 1
4 883 1 1 12 CYS O O -0.702 -8.279 4.715 1.00 . A A . 12 CYS O 1 1
4 884 1 1 12 CYS SG S 1.305 -8.595 0.947 1.00 . A A . 12 CYS SG 1 1
5 885 1 1 1 TYR C C -2.419 -7.295 1.529 1.00 . A A . 1 TYR C 1 1
5 886 1 1 1 TYR CA C -3.593 -8.273 1.476 1.00 . A A . 1 TYR CA 1 1
5 887 1 1 1 TYR CB C -4.440 -7.968 0.240 1.00 . A A . 1 TYR CB 1 1
5 888 1 1 1 TYR CD1 C -5.835 -6.152 1.292 1.00 . A A . 1 TYR CD1 1 1
5 889 1 1 1 TYR CD2 C -6.956 -7.891 0.095 1.00 . A A . 1 TYR CD2 1 1
5 890 1 1 1 TYR CE1 C -7.105 -5.536 1.585 1.00 . A A . 1 TYR CE1 1 1
5 891 1 1 1 TYR CE2 C -8.224 -7.276 0.388 1.00 . A A . 1 TYR CE2 1 1
5 892 1 1 1 TYR CG C -5.788 -7.316 0.552 1.00 . A A . 1 TYR CG 1 1
5 893 1 1 1 TYR CZ C -8.236 -6.130 1.119 1.00 . A A . 1 TYR CZ 1 1
5 894 1 1 1 TYR H1 H -5.115 -7.307 2.437 1.00 . A A . 1 TYR H1 1 1
5 895 1 1 1 TYR H2 H -5.018 -8.951 2.773 1.00 . A A . 1 TYR H2 1 1
5 896 1 1 1 TYR H3 H -4.194 -7.374 3.257 1.00 . A A . 1 TYR H3 1 1
5 897 1 1 1 TYR HA H -3.209 -9.293 1.507 1.00 . A A . 1 TYR HA 1 1
5 898 1 1 1 TYR HB2 H -3.876 -7.312 -0.423 1.00 . A A . 1 TYR HB2 1 1
5 899 1 1 1 TYR HB3 H -4.616 -8.897 -0.305 1.00 . A A . 1 TYR HB3 1 1
5 900 1 1 1 TYR HD1 H -4.914 -5.698 1.653 1.00 . A A . 1 TYR HD1 1 1
5 901 1 1 1 TYR HD2 H -6.918 -8.810 -0.488 1.00 . A A . 1 TYR HD2 1 1
5 902 1 1 1 TYR HE1 H -7.157 -4.617 2.167 1.00 . A A . 1 TYR HE1 1 1
5 903 1 1 1 TYR HE2 H -9.154 -7.720 0.033 1.00 . A A . 1 TYR HE2 1 1
5 904 1 1 1 TYR HH H -10.181 -6.156 1.118 1.00 . A A . 1 TYR HH 1 1
5 905 1 1 1 TYR N N -4.473 -8.091 2.619 1.00 . A A . 1 TYR N 1 1
5 906 1 1 1 TYR O O -2.168 -6.674 2.560 1.00 . A A . 1 TYR O 1 1
5 907 1 1 1 TYR OH O -9.435 -5.550 1.397 1.00 . A A . 1 TYR OH 1 1
5 908 1 1 2 CYS C C -1.096 -4.898 -0.058 1.00 . A A . 2 CYS C 1 1
5 909 1 1 2 CYS CA C -0.586 -6.294 0.306 1.00 . A A . 2 CYS CA 1 1
5 910 1 1 2 CYS CB C 0.448 -6.805 -0.699 1.00 . A A . 2 CYS CB 1 1
5 911 1 1 2 CYS H H -1.939 -7.696 -0.433 1.00 . A A . 2 CYS H 1 1
5 912 1 1 2 CYS HA H -0.112 -6.290 1.288 1.00 . A A . 2 CYS HA 1 1
5 913 1 1 2 CYS HB2 H 0.091 -6.590 -1.707 1.00 . A A . 2 CYS HB2 1 1
5 914 1 1 2 CYS HB3 H 1.374 -6.246 -0.563 1.00 . A A . 2 CYS HB3 1 1
5 915 1 1 2 CYS N N -1.727 -7.187 0.403 1.00 . A A . 2 CYS N 1 1
5 916 1 1 2 CYS O O -1.332 -4.606 -1.228 1.00 . A A . 2 CYS O 1 1
5 917 1 1 2 CYS SG S 0.820 -8.594 -0.577 1.00 . A A . 2 CYS SG 1 1
5 918 1 1 3 LYS C C -0.536 -1.757 0.766 1.00 . A A . 3 LYS C 1 1
5 919 1 1 3 LYS CA C -1.728 -2.715 0.770 1.00 . A A . 3 LYS CA 1 1
5 920 1 1 3 LYS CB C -2.795 -2.368 1.811 1.00 . A A . 3 LYS CB 1 1
5 921 1 1 3 LYS CD C -5.305 -2.466 1.593 1.00 . A A . 3 LYS CD 1 1
5 922 1 1 3 LYS CE C -5.601 -1.772 2.925 1.00 . A A . 3 LYS CE 1 1
5 923 1 1 3 LYS CG C -4.012 -3.282 1.675 1.00 . A A . 3 LYS CG 1 1
5 924 1 1 3 LYS H H -1.055 -4.319 1.918 1.00 . A A . 3 LYS H 1 1
5 925 1 1 3 LYS HA H -2.207 -2.677 -0.207 1.00 . A A . 3 LYS HA 1 1
5 926 1 1 3 LYS HB2 H -2.375 -2.461 2.813 1.00 . A A . 3 LYS HB2 1 1
5 927 1 1 3 LYS HB3 H -3.099 -1.328 1.690 1.00 . A A . 3 LYS HB3 1 1
5 928 1 1 3 LYS HD2 H -5.217 -1.720 0.801 1.00 . A A . 3 LYS HD2 1 1
5 929 1 1 3 LYS HD3 H -6.136 -3.117 1.324 1.00 . A A . 3 LYS HD3 1 1
5 930 1 1 3 LYS HE2 H -4.700 -1.283 3.293 1.00 . A A . 3 LYS HE2 1 1
5 931 1 1 3 LYS HE3 H -6.351 -0.994 2.776 1.00 . A A . 3 LYS HE3 1 1
5 932 1 1 3 LYS HG2 H -3.910 -3.900 0.784 1.00 . A A . 3 LYS HG2 1 1
5 933 1 1 3 LYS HG3 H -4.061 -3.957 2.530 1.00 . A A . 3 LYS HG3 1 1
5 934 1 1 3 LYS HZ1 H -6.618 -2.309 4.662 1.00 . A A . 3 LYS HZ1 1 1
5 935 1 1 3 LYS HZ2 H -6.691 -3.451 3.504 1.00 . A A . 3 LYS HZ2 1 1
5 936 1 1 3 LYS N N -1.250 -4.074 0.968 1.00 . A A . 3 LYS N 1 1
5 937 1 1 3 LYS NZ N -6.086 -2.752 3.920 1.00 . A A . 3 LYS NZ 1 1
5 938 1 1 3 LYS O O 0.038 -1.468 1.816 1.00 . A A . 3 LYS O 1 1
5 939 1 1 4 . C C 0.450 1.070 -0.349 1.00 . A A . 4 ILG C 1 1
5 940 1 1 4 . CA C 0.915 -0.368 -0.580 1.00 . A A . 4 ILG CA 1 1
5 941 1 1 4 . CB C 1.575 -0.528 -1.979 1.00 . A A . 4 ILG CB 1 1
5 942 1 1 4 . CD C 2.617 -2.274 -3.693 1.00 . A A . 4 ILG CD 1 1
5 943 1 1 4 . CG C 1.581 -1.961 -2.609 1.00 . A A . 4 ILG CG 1 1
5 944 1 1 4 . H H -0.669 -1.529 -1.277 1.00 . A A . 4 ILG H 1 1
5 945 1 1 4 . HA H 1.650 -0.616 0.207 1.00 . A A . 4 ILG HA 1 1
5 946 1 1 4 . HB2 H 1.079 0.162 -2.688 1.00 . A A . 4 ILG HB2 1 1
5 947 1 1 4 . HB3 H 2.618 -0.157 -1.924 1.00 . A A . 4 ILG HB3 1 1
5 948 1 1 4 . HG2 H 1.714 -2.717 -1.813 1.00 . A A . 4 ILG HG2 1 1
5 949 1 1 4 . HG3 H 0.589 -2.192 -3.039 1.00 . A A . 4 ILG HG3 1 1
5 950 1 1 4 . N N -0.198 -1.289 -0.426 1.00 . A A . 4 ILG N 1 1
5 951 1 1 4 . O O 1.196 2.016 -0.599 1.00 . A A . 4 ILG O 1 1
5 952 1 1 4 . OE1 O 2.717 -3.375 -4.218 1.00 . A A . 4 ILG OE1 1 1
5 953 1 1 5 PHE C C -0.966 3.502 -0.695 1.00 . A A . 5 PHE C 1 1
5 954 1 1 5 PHE CA C -1.355 2.498 0.393 1.00 . A A . 5 PHE CA 1 1
5 955 1 1 5 PHE CB C -0.785 2.970 1.732 1.00 . A A . 5 PHE CB 1 1
5 956 1 1 5 PHE CD1 C -0.141 0.845 2.889 1.00 . A A . 5 PHE CD1 1 1
5 957 1 1 5 PHE CD2 C -1.852 2.153 3.845 1.00 . A A . 5 PHE CD2 1 1
5 958 1 1 5 PHE CE1 C -0.278 -0.101 3.939 1.00 . A A . 5 PHE CE1 1 1
5 959 1 1 5 PHE CE2 C -1.987 1.207 4.895 1.00 . A A . 5 PHE CE2 1 1
5 960 1 1 5 PHE CG C -0.931 1.951 2.865 1.00 . A A . 5 PHE CG 1 1
5 961 1 1 5 PHE CZ C -1.197 0.101 4.920 1.00 . A A . 5 PHE CZ 1 1
5 962 1 1 5 PHE H H -1.382 0.418 0.324 1.00 . A A . 5 PHE H 1 1
5 963 1 1 5 PHE HA H -2.439 2.381 0.405 1.00 . A A . 5 PHE HA 1 1
5 964 1 1 5 PHE HB2 H 0.271 3.206 1.603 1.00 . A A . 5 PHE HB2 1 1
5 965 1 1 5 PHE HB3 H -1.285 3.895 2.023 1.00 . A A . 5 PHE HB3 1 1
5 966 1 1 5 PHE HD1 H 0.596 0.685 2.103 1.00 . A A . 5 PHE HD1 1 1
5 967 1 1 5 PHE HD2 H -2.485 3.040 3.824 1.00 . A A . 5 PHE HD2 1 1
5 968 1 1 5 PHE HE1 H 0.356 -0.988 3.959 1.00 . A A . 5 PHE HE1 1 1
5 969 1 1 5 PHE HE2 H -2.726 1.368 5.682 1.00 . A A . 5 PHE HE2 1 1
5 970 1 1 5 PHE HZ H -1.302 -0.625 5.727 1.00 . A A . 5 PHE HZ 1 1
5 971 1 1 5 PHE N N -0.781 1.192 0.124 1.00 . A A . 5 PHE N 1 1
5 972 1 1 5 PHE O O -0.671 3.115 -1.825 1.00 . A A . 5 PHE O 1 1
5 973 1 1 6 DTR C C 0.840 5.666 -1.625 1.00 . A A . 6 DTR C 1 1
5 974 1 1 6 DTR CA C -0.632 5.834 -1.247 1.00 . A A . 6 DTR CA 1 1
5 975 1 1 6 DTR CB C -1.578 5.687 -2.440 1.00 . A A . 6 DTR CB 1 1
5 976 1 1 6 DTR CD1 C -3.594 7.208 -1.907 1.00 . A A . 6 DTR CD1 1 1
5 977 1 1 6 DTR CD2 C -2.428 7.887 -3.664 1.00 . A A . 6 DTR CD2 1 1
5 978 1 1 6 DTR CE2 C -3.465 8.778 -3.489 1.00 . A A . 6 DTR CE2 1 1
5 979 1 1 6 DTR CE3 C -1.497 8.040 -4.707 1.00 . A A . 6 DTR CE3 1 1
5 980 1 1 6 DTR CG C -2.520 6.876 -2.637 1.00 . A A . 6 DTR CG 1 1
5 981 1 1 6 DTR CH2 C -2.758 10.061 -5.365 1.00 . A A . 6 DTR CH2 1 1
5 982 1 1 6 DTR CZ2 C -3.672 9.887 -4.319 1.00 . A A . 6 DTR CZ2 1 1
5 983 1 1 6 DTR CZ3 C -1.718 9.153 -5.527 1.00 . A A . 6 DTR CZ3 1 1
5 984 1 1 6 DTR H H -1.221 5.078 0.604 1.00 . A A . 6 DTR H 1 1
5 985 1 1 6 DTR HA H -0.780 6.771 -0.711 1.00 . A A . 6 DTR HA 1 1
5 986 1 1 6 DTR HB2 H -0.987 5.551 -3.345 1.00 . A A . 6 DTR HB2 1 1
5 987 1 1 6 DTR HB3 H -2.173 4.783 -2.311 1.00 . A A . 6 DTR HB3 1 1
5 988 1 1 6 DTR HD1 H -3.946 6.646 -1.043 1.00 . A A . 6 DTR HD1 1 1
5 989 1 1 6 DTR HE1 H -5.085 8.835 -1.977 1.00 . A A . 6 DTR HE1 1 1
5 990 1 1 6 DTR HE3 H -0.669 7.349 -4.864 1.00 . A A . 6 DTR HE3 1 1
5 991 1 1 6 DTR HH2 H -2.861 10.904 -6.048 1.00 . A A . 6 DTR HH2 1 1
5 992 1 1 6 DTR HZ2 H -4.501 10.577 -4.160 1.00 . A A . 6 DTR HZ2 1 1
5 993 1 1 6 DTR HZ3 H -1.025 9.320 -6.353 1.00 . A A . 6 DTR HZ3 1 1
5 994 1 1 6 DTR N N -0.980 4.772 -0.316 1.00 . A A . 6 DTR N 1 1
5 995 1 1 6 DTR NE1 N -4.198 8.352 -2.386 1.00 . A A . 6 DTR NE1 1 1
5 996 1 1 6 DTR O O 1.701 6.394 -1.128 1.00 . A A . 6 DTR O 1 1
5 997 1 1 7 IAM C C 3.457 4.711 -1.843 1.00 . A A . 7 IAM C 1 1
5 998 1 1 7 IAM CA C 2.441 4.433 -2.953 1.00 . A A . 7 IAM CA 1 1
5 999 1 1 7 IAM CB C 2.719 5.373 -4.127 1.00 . A A . 7 IAM CB 1 1
5 1000 1 1 7 IAM CD1 C 1.249 4.055 -5.667 1.00 . A A . 7 IAM CD1 1 1
5 1001 1 1 7 IAM CD2 C 3.239 4.958 -6.542 1.00 . A A . 7 IAM CD2 1 1
5 1002 1 1 7 IAM CE1 C 0.942 3.498 -6.937 1.00 . A A . 7 IAM CE1 1 1
5 1003 1 1 7 IAM CE2 C 2.934 4.401 -7.812 1.00 . A A . 7 IAM CE2 1 1
5 1004 1 1 7 IAM CG C 2.390 4.773 -5.496 1.00 . A A . 7 IAM CG 1 1
5 1005 1 1 7 IAM CI C 0.339 5.291 -10.008 1.00 . A A . 7 IAM CI 1 1
5 1006 1 1 7 IAM CK1 C -0.519 5.859 -8.864 1.00 . A A . 7 IAM CK1 1 1
5 1007 1 1 7 IAM CK2 C -0.228 5.760 -11.360 1.00 . A A . 7 IAM CK2 1 1
5 1008 1 1 7 IAM CT C 1.461 3.081 -9.359 1.00 . A A . 7 IAM CT 1 1
5 1009 1 1 7 IAM CZ C 1.792 3.683 -7.982 1.00 . A A . 7 IAM CZ 1 1
5 1010 1 1 7 IAM H H 0.384 4.117 -2.901 1.00 . A A . 7 IAM H 1 1
5 1011 1 1 7 IAM HA H 2.485 3.379 -3.228 1.00 . A A . 7 IAM HA 1 1
5 1012 1 1 7 IAM HB H 2.139 6.286 -3.994 1.00 . A A . 7 IAM HB 1 1
5 1013 1 1 7 IAM HB1 H 3.770 5.659 -4.112 1.00 . A A . 7 IAM HB1 1 1
5 1014 1 1 7 IAM HD1 H 0.567 3.907 -4.828 1.00 . A A . 7 IAM HD1 1 1
5 1015 1 1 7 IAM HD2 H 4.155 5.534 -6.404 1.00 . A A . 7 IAM HD2 1 1
5 1016 1 1 7 IAM HE1 H 0.026 2.923 -7.074 1.00 . A A . 7 IAM HE1 1 1
5 1017 1 1 7 IAM HE2 H 3.614 4.550 -8.650 1.00 . A A . 7 IAM HE2 1 1
5 1018 1 1 7 IAM HH H -0.486 3.293 -10.328 1.00 . A A . 7 IAM HH 1 1
5 1019 1 1 7 IAM HI H 1.346 5.639 -9.905 1.00 . A A . 7 IAM HI 1 1
5 1020 1 1 7 IAM HK11 H -1.527 5.511 -8.967 1.00 . A A . 7 IAM HK11 1 1
5 1021 1 1 7 IAM HK12 H -0.124 5.532 -7.924 1.00 . A A . 7 IAM HK12 1 1
5 1022 1 1 7 IAM HK13 H -0.506 6.929 -8.903 1.00 . A A . 7 IAM HK13 1 1
5 1023 1 1 7 IAM HK21 H 0.368 5.365 -12.155 1.00 . A A . 7 IAM HK21 1 1
5 1024 1 1 7 IAM HK22 H -1.236 5.413 -11.465 1.00 . A A . 7 IAM HK22 1 1
5 1025 1 1 7 IAM HK23 H -0.215 6.829 -11.401 1.00 . A A . 7 IAM HK23 1 1
5 1026 1 1 7 IAM HT1 H 1.202 2.048 -9.244 1.00 . A A . 7 IAM HT1 1 1
5 1027 1 1 7 IAM HT2 H 2.313 3.167 -10.004 1.00 . A A . 7 IAM HT2 1 1
5 1028 1 1 7 IAM N N 1.088 4.705 -2.502 1.00 . A A . 7 IAM N 1 1
5 1029 1 1 7 IAM NH N 0.320 3.812 -9.953 1.00 . A A . 7 IAM NH 1 1
5 1030 1 1 7 IAM O O 4.403 5.471 -2.036 1.00 . A A . 7 IAM O 1 1
5 1031 1 1 8 THR C C 4.488 2.889 1.027 1.00 . A A . 8 THR C 1 1
5 1032 1 1 8 THR CA C 4.104 4.251 0.442 1.00 . A A . 8 THR CA 1 1
5 1033 1 1 8 THR CB C 3.405 5.168 1.447 1.00 . A A . 8 THR CB 1 1
5 1034 1 1 8 THR CG2 C 2.207 4.495 2.119 1.00 . A A . 8 THR CG2 1 1
5 1035 1 1 8 THR H H 2.450 3.463 -0.550 1.00 . A A . 8 THR H 1 1
5 1036 1 1 8 THR HA H 5.026 4.722 0.099 1.00 . A A . 8 THR HA 1 1
5 1037 1 1 8 THR HB H 3.110 6.107 0.975 1.00 . A A . 8 THR HB 1 1
5 1038 1 1 8 THR HG1 H 4.618 4.424 2.853 1.00 . A A . 8 THR HG1 1 1
5 1039 1 1 8 THR HG21 H 2.065 4.919 3.114 1.00 . A A . 8 THR HG21 1 1
5 1040 1 1 8 THR HG22 H 1.311 4.665 1.522 1.00 . A A . 8 THR HG22 1 1
5 1041 1 1 8 THR HG23 H 2.392 3.423 2.204 1.00 . A A . 8 THR HG23 1 1
5 1042 1 1 8 THR N N 3.224 4.080 -0.701 1.00 . A A . 8 THR N 1 1
5 1043 1 1 8 THR O O 4.788 1.954 0.287 1.00 . A A . 8 THR O 1 1
5 1044 1 1 8 THR OG1 O 4.355 5.321 2.498 1.00 . A A . 8 THR OG1 1 1
5 1045 1 1 9 PHE C C 3.866 0.453 2.635 1.00 . A A . 9 PHE C 1 1
5 1046 1 1 9 PHE CA C 4.803 1.591 3.043 1.00 . A A . 9 PHE CA 1 1
5 1047 1 1 9 PHE CB C 4.640 1.860 4.539 1.00 . A A . 9 PHE CB 1 1
5 1048 1 1 9 PHE CD1 C 2.170 2.066 4.899 1.00 . A A . 9 PHE CD1 1 1
5 1049 1 1 9 PHE CD2 C 3.499 3.988 5.202 1.00 . A A . 9 PHE CD2 1 1
5 1050 1 1 9 PHE CE1 C 1.010 2.817 5.226 1.00 . A A . 9 PHE CE1 1 1
5 1051 1 1 9 PHE CE2 C 2.339 4.740 5.530 1.00 . A A . 9 PHE CE2 1 1
5 1052 1 1 9 PHE CG C 3.389 2.668 4.894 1.00 . A A . 9 PHE CG 1 1
5 1053 1 1 9 PHE CZ C 1.119 4.138 5.537 1.00 . A A . 9 PHE CZ 1 1
5 1054 1 1 9 PHE H H 4.217 3.587 2.945 1.00 . A A . 9 PHE H 1 1
5 1055 1 1 9 PHE HA H 5.825 1.334 2.761 1.00 . A A . 9 PHE HA 1 1
5 1056 1 1 9 PHE HB2 H 4.606 0.907 5.068 1.00 . A A . 9 PHE HB2 1 1
5 1057 1 1 9 PHE HB3 H 5.518 2.394 4.901 1.00 . A A . 9 PHE HB3 1 1
5 1058 1 1 9 PHE HD1 H 2.083 1.009 4.651 1.00 . A A . 9 PHE HD1 1 1
5 1059 1 1 9 PHE HD2 H 4.477 4.470 5.198 1.00 . A A . 9 PHE HD2 1 1
5 1060 1 1 9 PHE HE1 H 0.032 2.336 5.231 1.00 . A A . 9 PHE HE1 1 1
5 1061 1 1 9 PHE HE2 H 2.427 5.797 5.779 1.00 . A A . 9 PHE HE2 1 1
5 1062 1 1 9 PHE HZ H 0.229 4.713 5.789 1.00 . A A . 9 PHE HZ 1 1
5 1063 1 1 9 PHE N N 4.463 2.822 2.350 1.00 . A A . 9 PHE N 1 1
5 1064 1 1 9 PHE O O 2.776 0.699 2.119 1.00 . A A . 9 PHE O 1 1
5 1065 1 1 10 LYS C C 3.025 -2.590 3.831 1.00 . A A . 10 LYS C 1 1
5 1066 1 1 10 LYS CA C 3.538 -1.941 2.546 1.00 . A A . 10 LYS CA 1 1
5 1067 1 1 10 LYS CB C 4.345 -2.889 1.656 1.00 . A A . 10 LYS CB 1 1
5 1068 1 1 10 LYS CD C 4.187 -2.515 -0.832 1.00 . A A . 10 LYS CD 1 1
5 1069 1 1 10 LYS CE C 5.154 -2.620 -2.013 1.00 . A A . 10 LYS CE 1 1
5 1070 1 1 10 LYS CG C 4.932 -2.148 0.454 1.00 . A A . 10 LYS CG 1 1
5 1071 1 1 10 LYS H H 5.211 -0.955 3.300 1.00 . A A . 10 LYS H 1 1
5 1072 1 1 10 LYS HA H 2.680 -1.604 1.962 1.00 . A A . 10 LYS HA 1 1
5 1073 1 1 10 LYS HB2 H 5.148 -3.341 2.238 1.00 . A A . 10 LYS HB2 1 1
5 1074 1 1 10 LYS HB3 H 3.707 -3.702 1.311 1.00 . A A . 10 LYS HB3 1 1
5 1075 1 1 10 LYS HD2 H 3.668 -3.464 -0.698 1.00 . A A . 10 LYS HD2 1 1
5 1076 1 1 10 LYS HD3 H 3.428 -1.763 -1.045 1.00 . A A . 10 LYS HD3 1 1
5 1077 1 1 10 LYS HE2 H 5.972 -1.910 -1.885 1.00 . A A . 10 LYS HE2 1 1
5 1078 1 1 10 LYS HE3 H 5.597 -3.615 -2.042 1.00 . A A . 10 LYS HE3 1 1
5 1079 1 1 10 LYS HG2 H 4.872 -1.073 0.619 1.00 . A A . 10 LYS HG2 1 1
5 1080 1 1 10 LYS HG3 H 5.988 -2.397 0.350 1.00 . A A . 10 LYS HG3 1 1
5 1081 1 1 10 LYS HZ3 H 4.270 -3.236 -3.776 1.00 . A A . 10 LYS HZ3 1 1
5 1082 1 1 10 LYS N N 4.323 -0.766 2.881 1.00 . A A . 10 LYS N 1 1
5 1083 1 1 10 LYS NZ N 4.448 -2.348 -3.285 1.00 . A A . 10 LYS NZ 1 1
5 1084 1 1 10 LYS O O 3.761 -2.704 4.811 1.00 . A A . 10 LYS O 1 1
5 1085 1 1 11 SER C C 0.650 -5.033 4.562 1.00 . A A . 11 SER C 1 1
5 1086 1 1 11 SER CA C 1.145 -3.634 4.940 1.00 . A A . 11 SER CA 1 1
5 1087 1 1 11 SER CB C -0.005 -2.752 5.490 1.00 . A A . 11 SER CB 1 1
5 1088 1 1 11 SER H H 1.173 -2.903 2.989 1.00 . A A . 11 SER H 1 1
5 1089 1 1 11 SER HA H 1.897 -3.765 5.738 1.00 . A A . 11 SER HA 1 1
5 1090 1 1 11 SER HB2 H 0.405 -1.788 5.849 1.00 . A A . 11 SER HB2 1 1
5 1091 1 1 11 SER HB3 H -0.717 -2.479 4.687 1.00 . A A . 11 SER HB3 1 1
5 1092 1 1 11 SER HG H -1.125 -4.169 6.223 1.00 . A A . 11 SER HG 1 1
5 1093 1 1 11 SER N N 1.764 -2.999 3.789 1.00 . A A . 11 SER N 1 1
5 1094 1 1 11 SER O O -0.443 -5.436 4.957 1.00 . A A . 11 SER O 1 1
5 1095 1 1 11 SER OG O -0.714 -3.371 6.568 1.00 . A A . 11 SER OG 1 1
5 1096 1 1 12 CYS C C 1.407 -8.038 4.527 1.00 . A A . 12 CYS C 1 1
5 1097 1 1 12 CYS CA C 1.141 -7.077 3.367 1.00 . A A . 12 CYS CA 1 1
5 1098 1 1 12 CYS CB C 1.911 -7.475 2.107 1.00 . A A . 12 CYS CB 1 1
5 1099 1 1 12 CYS H H 2.366 -5.397 3.486 1.00 . A A . 12 CYS H 1 1
5 1100 1 1 12 CYS HA H 0.083 -7.065 3.111 1.00 . A A . 12 CYS HA 1 1
5 1101 1 1 12 CYS HB2 H 1.851 -6.657 1.388 1.00 . A A . 12 CYS HB2 1 1
5 1102 1 1 12 CYS HB3 H 2.964 -7.597 2.365 1.00 . A A . 12 CYS HB3 1 1
5 1103 1 1 12 CYS N N 1.479 -5.733 3.802 1.00 . A A . 12 CYS N 1 1
5 1104 1 1 12 CYS O O 0.397 -8.635 5.129 1.00 . A A . 12 CYS O 1 1
5 1105 1 1 12 CYS SG S 1.324 -9.010 1.300 1.00 . A A . 12 CYS SG 1 1
6 1106 1 1 1 TYR C C -3.393 -6.923 1.347 1.00 . A A . 1 TYR C 1 1
6 1107 1 1 1 TYR CA C -4.573 -7.884 1.499 1.00 . A A . 1 TYR CA 1 1
6 1108 1 1 1 TYR CB C -5.229 -8.088 0.132 1.00 . A A . 1 TYR CB 1 1
6 1109 1 1 1 TYR CD1 C -6.639 -6.004 -0.040 1.00 . A A . 1 TYR CD1 1 1
6 1110 1 1 1 TYR CD2 C -7.735 -8.125 -0.145 1.00 . A A . 1 TYR CD2 1 1
6 1111 1 1 1 TYR CE1 C -7.908 -5.341 -0.186 1.00 . A A . 1 TYR CE1 1 1
6 1112 1 1 1 TYR CE2 C -9.005 -7.464 -0.290 1.00 . A A . 1 TYR CE2 1 1
6 1113 1 1 1 TYR CG C -6.579 -7.381 -0.024 1.00 . A A . 1 TYR CG 1 1
6 1114 1 1 1 TYR CZ C -9.028 -6.103 -0.303 1.00 . A A . 1 TYR CZ 1 1
6 1115 1 1 1 TYR H1 H -6.530 -7.575 1.995 1.00 . A A . 1 TYR H1 1 1
6 1116 1 1 1 TYR H2 H -5.490 -7.681 3.312 1.00 . A A . 1 TYR H2 1 1
6 1117 1 1 1 TYR H3 H -5.395 -6.405 2.713 1.00 . A A . 1 TYR H3 1 1
6 1118 1 1 1 TYR HA H -4.223 -8.808 1.960 1.00 . A A . 1 TYR HA 1 1
6 1119 1 1 1 TYR HB2 H -4.552 -7.727 -0.643 1.00 . A A . 1 TYR HB2 1 1
6 1120 1 1 1 TYR HB3 H -5.368 -9.156 -0.038 1.00 . A A . 1 TYR HB3 1 1
6 1121 1 1 1 TYR HD1 H -5.726 -5.418 0.057 1.00 . A A . 1 TYR HD1 1 1
6 1122 1 1 1 TYR HD2 H -7.687 -9.214 -0.130 1.00 . A A . 1 TYR HD2 1 1
6 1123 1 1 1 TYR HE1 H -7.971 -4.252 -0.202 1.00 . A A . 1 TYR HE1 1 1
6 1124 1 1 1 TYR HE2 H -9.926 -8.037 -0.389 1.00 . A A . 1 TYR HE2 1 1
6 1125 1 1 1 TYR HH H -10.972 -6.144 -0.378 1.00 . A A . 1 TYR HH 1 1
6 1126 1 1 1 TYR N N -5.600 -7.317 2.355 1.00 . A A . 1 TYR N 1 1
6 1127 1 1 1 TYR O O -3.271 -5.959 2.103 1.00 . A A . 1 TYR O 1 1
6 1128 1 1 1 TYR OH O -10.228 -5.476 -0.440 1.00 . A A . 1 TYR OH 1 1
6 1129 1 1 2 CYS C C -1.868 -4.984 -0.267 1.00 . A A . 2 CYS C 1 1
6 1130 1 1 2 CYS CA C -1.388 -6.389 0.104 1.00 . A A . 2 CYS CA 1 1
6 1131 1 1 2 CYS CB C -0.498 -6.993 -0.985 1.00 . A A . 2 CYS CB 1 1
6 1132 1 1 2 CYS H H -2.660 -8.000 -0.246 1.00 . A A . 2 CYS H 1 1
6 1133 1 1 2 CYS HA H -0.807 -6.368 1.025 1.00 . A A . 2 CYS HA 1 1
6 1134 1 1 2 CYS HB2 H -1.075 -7.737 -1.534 1.00 . A A . 2 CYS HB2 1 1
6 1135 1 1 2 CYS HB3 H -0.232 -6.210 -1.694 1.00 . A A . 2 CYS HB3 1 1
6 1136 1 1 2 CYS N N -2.554 -7.215 0.364 1.00 . A A . 2 CYS N 1 1
6 1137 1 1 2 CYS O O -2.794 -4.831 -1.064 1.00 . A A . 2 CYS O 1 1
6 1138 1 1 2 CYS SG S 1.039 -7.776 -0.374 1.00 . A A . 2 CYS SG 1 1
6 1139 1 1 3 LYS C C -0.360 -1.719 0.372 1.00 . A A . 3 LYS C 1 1
6 1140 1 1 3 LYS CA C -1.568 -2.608 0.071 1.00 . A A . 3 LYS CA 1 1
6 1141 1 1 3 LYS CB C -2.827 -2.220 0.848 1.00 . A A . 3 LYS CB 1 1
6 1142 1 1 3 LYS CD C -3.855 -2.003 3.141 1.00 . A A . 3 LYS CD 1 1
6 1143 1 1 3 LYS CE C -4.803 -3.118 3.589 1.00 . A A . 3 LYS CE 1 1
6 1144 1 1 3 LYS CG C -2.687 -2.570 2.331 1.00 . A A . 3 LYS CG 1 1
6 1145 1 1 3 LYS H H -0.468 -4.128 0.976 1.00 . A A . 3 LYS H 1 1
6 1146 1 1 3 LYS HA H -1.805 -2.523 -0.988 1.00 . A A . 3 LYS HA 1 1
6 1147 1 1 3 LYS HB2 H -3.010 -1.150 0.739 1.00 . A A . 3 LYS HB2 1 1
6 1148 1 1 3 LYS HB3 H -3.692 -2.734 0.430 1.00 . A A . 3 LYS HB3 1 1
6 1149 1 1 3 LYS HD2 H -3.474 -1.472 4.013 1.00 . A A . 3 LYS HD2 1 1
6 1150 1 1 3 LYS HD3 H -4.402 -1.277 2.540 1.00 . A A . 3 LYS HD3 1 1
6 1151 1 1 3 LYS HE2 H -4.339 -4.089 3.415 1.00 . A A . 3 LYS HE2 1 1
6 1152 1 1 3 LYS HE3 H -4.984 -3.039 4.662 1.00 . A A . 3 LYS HE3 1 1
6 1153 1 1 3 LYS HG2 H -2.647 -3.652 2.450 1.00 . A A . 3 LYS HG2 1 1
6 1154 1 1 3 LYS HG3 H -1.747 -2.173 2.715 1.00 . A A . 3 LYS HG3 1 1
6 1155 1 1 3 LYS HZ1 H -6.839 -3.494 3.356 1.00 . A A . 3 LYS HZ1 1 1
6 1156 1 1 3 LYS HZ2 H -6.377 -2.072 2.711 1.00 . A A . 3 LYS HZ2 1 1
6 1157 1 1 3 LYS N N -1.219 -3.994 0.329 1.00 . A A . 3 LYS N 1 1
6 1158 1 1 3 LYS NZ N -6.086 -3.033 2.858 1.00 . A A . 3 LYS NZ 1 1
6 1159 1 1 3 LYS O O 0.036 -1.575 1.529 1.00 . A A . 3 LYS O 1 1
6 1160 1 1 4 . C C 0.894 1.175 -0.332 1.00 . A A . 4 ILG C 1 1
6 1161 1 1 4 . CA C 1.343 -0.271 -0.549 1.00 . A A . 4 ILG CA 1 1
6 1162 1 1 4 . CB C 2.278 -0.392 -1.785 1.00 . A A . 4 ILG CB 1 1
6 1163 1 1 4 . CD C 3.583 -2.032 -3.419 1.00 . A A . 4 ILG CD 1 1
6 1164 1 1 4 . CG C 2.443 -1.812 -2.423 1.00 . A A . 4 ILG CG 1 1
6 1165 1 1 4 . H H -0.140 -1.265 -1.624 1.00 . A A . 4 ILG H 1 1
6 1166 1 1 4 . HA H 1.886 -0.595 0.359 1.00 . A A . 4 ILG HA 1 1
6 1167 1 1 4 . HB2 H 1.921 0.303 -2.570 1.00 . A A . 4 ILG HB2 1 1
6 1168 1 1 4 . HB3 H 3.277 -0.001 -1.514 1.00 . A A . 4 ILG HB3 1 1
6 1169 1 1 4 . HG2 H 2.568 -2.566 -1.624 1.00 . A A . 4 ILG HG2 1 1
6 1170 1 1 4 . HG3 H 1.509 -2.110 -2.934 1.00 . A A . 4 ILG HG3 1 1
6 1171 1 1 4 . N N 0.190 -1.142 -0.686 1.00 . A A . 4 ILG N 1 1
6 1172 1 1 4 . O O 1.664 2.108 -0.552 1.00 . A A . 4 ILG O 1 1
6 1173 1 1 4 . OE1 O 3.810 -3.114 -3.944 1.00 . A A . 4 ILG OE1 1 1
6 1174 1 1 5 PHE C C -0.470 3.630 -0.727 1.00 . A A . 5 PHE C 1 1
6 1175 1 1 5 PHE CA C -0.915 2.632 0.345 1.00 . A A . 5 PHE CA 1 1
6 1176 1 1 5 PHE CB C -0.387 3.094 1.704 1.00 . A A . 5 PHE CB 1 1
6 1177 1 1 5 PHE CD1 C 0.099 0.903 2.819 1.00 . A A . 5 PHE CD1 1 1
6 1178 1 1 5 PHE CD2 C -1.462 2.344 3.838 1.00 . A A . 5 PHE CD2 1 1
6 1179 1 1 5 PHE CE1 C -0.090 -0.041 3.862 1.00 . A A . 5 PHE CE1 1 1
6 1180 1 1 5 PHE CE2 C -1.651 1.400 4.882 1.00 . A A . 5 PHE CE2 1 1
6 1181 1 1 5 PHE CG C -0.591 2.075 2.830 1.00 . A A . 5 PHE CG 1 1
6 1182 1 1 5 PHE CZ C -0.960 0.228 4.873 1.00 . A A . 5 PHE CZ 1 1
6 1183 1 1 5 PHE H H -0.973 0.551 0.271 1.00 . A A . 5 PHE H 1 1
6 1184 1 1 5 PHE HA H -2.001 2.531 0.316 1.00 . A A . 5 PHE HA 1 1
6 1185 1 1 5 PHE HB2 H 0.678 3.312 1.615 1.00 . A A . 5 PHE HB2 1 1
6 1186 1 1 5 PHE HB3 H -0.882 4.025 1.978 1.00 . A A . 5 PHE HB3 1 1
6 1187 1 1 5 PHE HD1 H 0.797 0.689 2.010 1.00 . A A . 5 PHE HD1 1 1
6 1188 1 1 5 PHE HD2 H -2.015 3.283 3.846 1.00 . A A . 5 PHE HD2 1 1
6 1189 1 1 5 PHE HE1 H 0.462 -0.981 3.854 1.00 . A A . 5 PHE HE1 1 1
6 1190 1 1 5 PHE HE2 H -2.349 1.615 5.691 1.00 . A A . 5 PHE HE2 1 1
6 1191 1 1 5 PHE HZ H -1.106 -0.497 5.673 1.00 . A A . 5 PHE HZ 1 1
6 1192 1 1 5 PHE N N -0.353 1.315 0.096 1.00 . A A . 5 PHE N 1 1
6 1193 1 1 5 PHE O O -0.038 3.233 -1.808 1.00 . A A . 5 PHE O 1 1
6 1194 1 1 6 DTR C C 1.271 5.777 -1.652 1.00 . A A . 6 DTR C 1 1
6 1195 1 1 6 DTR CA C -0.208 5.963 -1.311 1.00 . A A . 6 DTR CA 1 1
6 1196 1 1 6 DTR CB C -1.127 5.829 -2.527 1.00 . A A . 6 DTR CB 1 1
6 1197 1 1 6 DTR CD1 C -2.888 7.366 -1.436 1.00 . A A . 6 DTR CD1 1 1
6 1198 1 1 6 DTR CD2 C -3.706 6.135 -3.087 1.00 . A A . 6 DTR CD2 1 1
6 1199 1 1 6 DTR CE2 C -4.740 6.903 -2.595 1.00 . A A . 6 DTR CE2 1 1
6 1200 1 1 6 DTR CE3 C -3.901 5.238 -4.151 1.00 . A A . 6 DTR CE3 1 1
6 1201 1 1 6 DTR CG C -2.513 6.443 -2.331 1.00 . A A . 6 DTR CG 1 1
6 1202 1 1 6 DTR CH2 C -6.263 5.966 -4.164 1.00 . A A . 6 DTR CH2 1 1
6 1203 1 1 6 DTR CZ2 C -6.044 6.853 -3.104 1.00 . A A . 6 DTR CZ2 1 1
6 1204 1 1 6 DTR CZ3 C -5.208 5.200 -4.649 1.00 . A A . 6 DTR CZ3 1 1
6 1205 1 1 6 DTR H H -0.945 5.218 0.491 1.00 . A A . 6 DTR H 1 1
6 1206 1 1 6 DTR HA H -0.359 6.901 -0.778 1.00 . A A . 6 DTR HA 1 1
6 1207 1 1 6 DTR HB2 H -0.649 6.304 -3.385 1.00 . A A . 6 DTR HB2 1 1
6 1208 1 1 6 DTR HB3 H -1.240 4.772 -2.770 1.00 . A A . 6 DTR HB3 1 1
6 1209 1 1 6 DTR HD1 H -2.219 7.816 -0.702 1.00 . A A . 6 DTR HD1 1 1
6 1210 1 1 6 DTR HE1 H -4.782 8.394 -0.954 1.00 . A A . 6 DTR HE1 1 1
6 1211 1 1 6 DTR HE3 H -3.099 4.622 -4.557 1.00 . A A . 6 DTR HE3 1 1
6 1212 1 1 6 DTR HH2 H -7.254 5.878 -4.609 1.00 . A A . 6 DTR HH2 1 1
6 1213 1 1 6 DTR HZ2 H -6.844 7.470 -2.697 1.00 . A A . 6 DTR HZ2 1 1
6 1214 1 1 6 DTR HZ3 H -5.416 4.520 -5.477 1.00 . A A . 6 DTR HZ3 1 1
6 1215 1 1 6 DTR N N -0.592 4.905 -0.390 1.00 . A A . 6 DTR N 1 1
6 1216 1 1 6 DTR NE1 N -4.228 7.676 -1.556 1.00 . A A . 6 DTR NE1 1 1
6 1217 1 1 6 DTR O O 2.135 6.407 -1.046 1.00 . A A . 6 DTR O 1 1
6 1218 1 1 7 IAM C C 3.872 4.880 -1.919 1.00 . A A . 7 IAM C 1 1
6 1219 1 1 7 IAM CA C 2.877 4.635 -3.054 1.00 . A A . 7 IAM CA 1 1
6 1220 1 1 7 IAM CB C 3.187 5.597 -4.202 1.00 . A A . 7 IAM CB 1 1
6 1221 1 1 7 IAM CD1 C 1.559 4.609 -5.830 1.00 . A A . 7 IAM CD1 1 1
6 1222 1 1 7 IAM CD2 C 3.759 5.012 -6.570 1.00 . A A . 7 IAM CD2 1 1
6 1223 1 1 7 IAM CE1 C 1.219 4.104 -7.115 1.00 . A A . 7 IAM CE1 1 1
6 1224 1 1 7 IAM CE2 C 3.421 4.507 -7.853 1.00 . A A . 7 IAM CE2 1 1
6 1225 1 1 7 IAM CG C 2.821 5.052 -5.585 1.00 . A A . 7 IAM CG 1 1
6 1226 1 1 7 IAM CI C 0.655 5.738 -10.075 1.00 . A A . 7 IAM CI 1 1
6 1227 1 1 7 IAM CK1 C -0.245 6.316 -8.966 1.00 . A A . 7 IAM CK1 1 1
6 1228 1 1 7 IAM CK2 C 0.141 6.205 -11.448 1.00 . A A . 7 IAM CK2 1 1
6 1229 1 1 7 IAM CT C 1.791 3.518 -9.488 1.00 . A A . 7 IAM CT 1 1
6 1230 1 1 7 IAM CZ C 2.159 4.064 -8.097 1.00 . A A . 7 IAM CZ 1 1
6 1231 1 1 7 IAM H H 0.808 4.403 -3.113 1.00 . A A . 7 IAM H 1 1
6 1232 1 1 7 IAM HA H 2.916 3.585 -3.350 1.00 . A A . 7 IAM HA 1 1
6 1233 1 1 7 IAM HB H 2.648 6.529 -4.038 1.00 . A A . 7 IAM HB 1 1
6 1234 1 1 7 IAM HB1 H 4.249 5.837 -4.186 1.00 . A A . 7 IAM HB1 1 1
6 1235 1 1 7 IAM HD1 H 0.808 4.642 -5.041 1.00 . A A . 7 IAM HD1 1 1
6 1236 1 1 7 IAM HD2 H 4.771 5.367 -6.373 1.00 . A A . 7 IAM HD2 1 1
6 1237 1 1 7 IAM HE1 H 0.207 3.750 -7.310 1.00 . A A . 7 IAM HE1 1 1
6 1238 1 1 7 IAM HE2 H 4.171 4.476 -8.642 1.00 . A A . 7 IAM HE2 1 1
6 1239 1 1 7 IAM HH H -0.209 3.748 -10.339 1.00 . A A . 7 IAM HH 1 1
6 1240 1 1 7 IAM HI H 1.658 6.080 -9.934 1.00 . A A . 7 IAM HI 1 1
6 1241 1 1 7 IAM HK11 H -1.251 5.974 -9.106 1.00 . A A . 7 IAM HK11 1 1
6 1242 1 1 7 IAM HK12 H 0.111 5.991 -8.011 1.00 . A A . 7 IAM HK12 1 1
6 1243 1 1 7 IAM HK13 H -0.224 7.384 -9.010 1.00 . A A . 7 IAM HK13 1 1
6 1244 1 1 7 IAM HK21 H 0.767 5.803 -12.218 1.00 . A A . 7 IAM HK21 1 1
6 1245 1 1 7 IAM HK22 H -0.862 5.864 -11.592 1.00 . A A . 7 IAM HK22 1 1
6 1246 1 1 7 IAM HK23 H 0.163 7.274 -11.495 1.00 . A A . 7 IAM HK23 1 1
6 1247 1 1 7 IAM HT1 H 1.548 2.478 -9.412 1.00 . A A . 7 IAM HT1 1 1
6 1248 1 1 7 IAM HT2 H 2.621 3.644 -10.154 1.00 . A A . 7 IAM HT2 1 1
6 1249 1 1 7 IAM N N 1.517 4.910 -2.624 1.00 . A A . 7 IAM N 1 1
6 1250 1 1 7 IAM NH N 0.624 4.260 -10.014 1.00 . A A . 7 IAM NH 1 1
6 1251 1 1 7 IAM O O 4.830 5.632 -2.079 1.00 . A A . 7 IAM O 1 1
6 1252 1 1 8 THR C C 4.769 2.991 0.975 1.00 . A A . 8 THR C 1 1
6 1253 1 1 8 THR CA C 4.470 4.364 0.368 1.00 . A A . 8 THR CA 1 1
6 1254 1 1 8 THR CB C 3.791 5.325 1.346 1.00 . A A . 8 THR CB 1 1
6 1255 1 1 8 THR CG2 C 2.540 4.722 1.988 1.00 . A A . 8 THR CG2 1 1
6 1256 1 1 8 THR H H 2.828 3.617 -0.673 1.00 . A A . 8 THR H 1 1
6 1257 1 1 8 THR HA H 5.422 4.786 0.045 1.00 . A A . 8 THR HA 1 1
6 1258 1 1 8 THR HB H 3.563 6.276 0.864 1.00 . A A . 8 THR HB 1 1
6 1259 1 1 8 THR HG1 H 4.920 4.525 2.794 1.00 . A A . 8 THR HG1 1 1
6 1260 1 1 8 THR HG21 H 2.391 5.159 2.975 1.00 . A A . 8 THR HG21 1 1
6 1261 1 1 8 THR HG22 H 1.673 4.937 1.363 1.00 . A A . 8 THR HG22 1 1
6 1262 1 1 8 THR HG23 H 2.663 3.644 2.081 1.00 . A A . 8 THR HG23 1 1
6 1263 1 1 8 THR N N 3.609 4.227 -0.795 1.00 . A A . 8 THR N 1 1
6 1264 1 1 8 THR O O 4.993 2.023 0.249 1.00 . A A . 8 THR O 1 1
6 1265 1 1 8 THR OG1 O 4.717 5.433 2.426 1.00 . A A . 8 THR OG1 1 1
6 1266 1 1 9 PHE C C 4.035 0.623 2.611 1.00 . A A . 9 PHE C 1 1
6 1267 1 1 9 PHE CA C 5.031 1.713 3.010 1.00 . A A . 9 PHE CA 1 1
6 1268 1 1 9 PHE CB C 4.873 2.011 4.502 1.00 . A A . 9 PHE CB 1 1
6 1269 1 1 9 PHE CD1 C 2.424 2.295 4.947 1.00 . A A . 9 PHE CD1 1 1
6 1270 1 1 9 PHE CD2 C 3.796 4.210 5.031 1.00 . A A . 9 PHE CD2 1 1
6 1271 1 1 9 PHE CE1 C 1.291 3.093 5.259 1.00 . A A . 9 PHE CE1 1 1
6 1272 1 1 9 PHE CE2 C 2.662 5.008 5.342 1.00 . A A . 9 PHE CE2 1 1
6 1273 1 1 9 PHE CG C 3.652 2.871 4.840 1.00 . A A . 9 PHE CG 1 1
6 1274 1 1 9 PHE CZ C 1.436 4.432 5.451 1.00 . A A . 9 PHE CZ 1 1
6 1275 1 1 9 PHE H H 4.581 3.743 2.881 1.00 . A A . 9 PHE H 1 1
6 1276 1 1 9 PHE HA H 6.040 1.398 2.740 1.00 . A A . 9 PHE HA 1 1
6 1277 1 1 9 PHE HB2 H 4.802 1.068 5.046 1.00 . A A . 9 PHE HB2 1 1
6 1278 1 1 9 PHE HB3 H 5.770 2.518 4.859 1.00 . A A . 9 PHE HB3 1 1
6 1279 1 1 9 PHE HD1 H 2.310 1.222 4.793 1.00 . A A . 9 PHE HD1 1 1
6 1280 1 1 9 PHE HD2 H 4.780 4.670 4.944 1.00 . A A . 9 PHE HD2 1 1
6 1281 1 1 9 PHE HE1 H 0.307 2.632 5.345 1.00 . A A . 9 PHE HE1 1 1
6 1282 1 1 9 PHE HE2 H 2.778 6.081 5.496 1.00 . A A . 9 PHE HE2 1 1
6 1283 1 1 9 PHE HZ H 0.567 5.044 5.691 1.00 . A A . 9 PHE HZ 1 1
6 1284 1 1 9 PHE N N 4.763 2.950 2.299 1.00 . A A . 9 PHE N 1 1
6 1285 1 1 9 PHE O O 2.976 0.917 2.059 1.00 . A A . 9 PHE O 1 1
6 1286 1 1 10 LYS C C 3.000 -2.343 3.877 1.00 . A A . 10 LYS C 1 1
6 1287 1 1 10 LYS CA C 3.561 -1.749 2.583 1.00 . A A . 10 LYS CA 1 1
6 1288 1 1 10 LYS CB C 4.321 -2.758 1.721 1.00 . A A . 10 LYS CB 1 1
6 1289 1 1 10 LYS CD C 5.707 -1.878 -0.193 1.00 . A A . 10 LYS CD 1 1
6 1290 1 1 10 LYS CE C 6.011 -2.347 -1.617 1.00 . A A . 10 LYS CE 1 1
6 1291 1 1 10 LYS CG C 4.316 -2.339 0.251 1.00 . A A . 10 LYS CG 1 1
6 1292 1 1 10 LYS H H 5.272 -0.844 3.354 1.00 . A A . 10 LYS H 1 1
6 1293 1 1 10 LYS HA H 2.730 -1.375 1.985 1.00 . A A . 10 LYS HA 1 1
6 1294 1 1 10 LYS HB2 H 5.349 -2.843 2.075 1.00 . A A . 10 LYS HB2 1 1
6 1295 1 1 10 LYS HB3 H 3.867 -3.743 1.823 1.00 . A A . 10 LYS HB3 1 1
6 1296 1 1 10 LYS HD2 H 5.765 -0.789 -0.143 1.00 . A A . 10 LYS HD2 1 1
6 1297 1 1 10 LYS HD3 H 6.459 -2.268 0.491 1.00 . A A . 10 LYS HD3 1 1
6 1298 1 1 10 LYS HE2 H 7.089 -2.383 -1.772 1.00 . A A . 10 LYS HE2 1 1
6 1299 1 1 10 LYS HE3 H 5.633 -3.358 -1.761 1.00 . A A . 10 LYS HE3 1 1
6 1300 1 1 10 LYS HG2 H 3.992 -3.174 -0.370 1.00 . A A . 10 LYS HG2 1 1
6 1301 1 1 10 LYS HG3 H 3.598 -1.532 0.101 1.00 . A A . 10 LYS HG3 1 1
6 1302 1 1 10 LYS HZ3 H 4.545 -1.872 -2.993 1.00 . A A . 10 LYS HZ3 1 1
6 1303 1 1 10 LYS N N 4.409 -0.613 2.906 1.00 . A A . 10 LYS N 1 1
6 1304 1 1 10 LYS NZ N 5.392 -1.435 -2.605 1.00 . A A . 10 LYS NZ 1 1
6 1305 1 1 10 LYS O O 3.628 -2.251 4.930 1.00 . A A . 10 LYS O 1 1
6 1306 1 1 11 SER C C 0.358 -4.767 4.454 1.00 . A A . 11 SER C 1 1
6 1307 1 1 11 SER CA C 1.171 -3.551 4.901 1.00 . A A . 11 SER CA 1 1
6 1308 1 1 11 SER CB C 0.286 -2.512 5.635 1.00 . A A . 11 SER CB 1 1
6 1309 1 1 11 SER H H 1.319 -3.012 2.893 1.00 . A A . 11 SER H 1 1
6 1310 1 1 11 SER HA H 1.938 -3.918 5.607 1.00 . A A . 11 SER HA 1 1
6 1311 1 1 11 SER HB2 H 0.849 -1.567 5.762 1.00 . A A . 11 SER HB2 1 1
6 1312 1 1 11 SER HB3 H -0.597 -2.238 5.027 1.00 . A A . 11 SER HB3 1 1
6 1313 1 1 11 SER HG H -0.691 -3.737 6.793 1.00 . A A . 11 SER HG 1 1
6 1314 1 1 11 SER N N 1.823 -2.940 3.754 1.00 . A A . 11 SER N 1 1
6 1315 1 1 11 SER O O -0.871 -4.747 4.501 1.00 . A A . 11 SER O 1 1
6 1316 1 1 11 SER OG O -0.142 -2.959 6.925 1.00 . A A . 11 SER OG 1 1
6 1317 1 1 12 CYS C C -0.054 -7.789 4.802 1.00 . A A . 12 CYS C 1 1
6 1318 1 1 12 CYS CA C 0.436 -7.018 3.576 1.00 . A A . 12 CYS CA 1 1
6 1319 1 1 12 CYS CB C 1.377 -7.861 2.710 1.00 . A A . 12 CYS CB 1 1
6 1320 1 1 12 CYS H H 2.076 -5.803 3.994 1.00 . A A . 12 CYS H 1 1
6 1321 1 1 12 CYS HA H -0.400 -6.719 2.946 1.00 . A A . 12 CYS HA 1 1
6 1322 1 1 12 CYS HB2 H 2.158 -7.213 2.311 1.00 . A A . 12 CYS HB2 1 1
6 1323 1 1 12 CYS HB3 H 1.869 -8.598 3.346 1.00 . A A . 12 CYS HB3 1 1
6 1324 1 1 12 CYS N N 1.077 -5.795 4.030 1.00 . A A . 12 CYS N 1 1
6 1325 1 1 12 CYS O O -1.351 -7.927 5.014 1.00 . A A . 12 CYS O 1 1
6 1326 1 1 12 CYS SG S 0.568 -8.732 1.320 1.00 . A A . 12 CYS SG 1 1
7 1327 1 1 1 TYR C C -3.909 -7.126 0.643 1.00 . A A . 1 TYR C 1 1
7 1328 1 1 1 TYR CA C -4.903 -8.115 0.028 1.00 . A A . 1 TYR CA 1 1
7 1329 1 1 1 TYR CB C -5.216 -7.679 -1.405 1.00 . A A . 1 TYR CB 1 1
7 1330 1 1 1 TYR CD1 C -6.810 -5.733 -1.235 1.00 . A A . 1 TYR CD1 1 1
7 1331 1 1 1 TYR CD2 C -7.644 -7.810 -2.074 1.00 . A A . 1 TYR CD2 1 1
7 1332 1 1 1 TYR CE1 C -8.115 -5.145 -1.399 1.00 . A A . 1 TYR CE1 1 1
7 1333 1 1 1 TYR CE2 C -8.948 -7.224 -2.239 1.00 . A A . 1 TYR CE2 1 1
7 1334 1 1 1 TYR CG C -6.602 -7.054 -1.577 1.00 . A A . 1 TYR CG 1 1
7 1335 1 1 1 TYR CZ C -9.119 -5.919 -1.892 1.00 . A A . 1 TYR CZ 1 1
7 1336 1 1 1 TYR H1 H -6.033 -8.450 1.696 1.00 . A A . 1 TYR H1 1 1
7 1337 1 1 1 TYR H2 H -6.521 -7.123 0.784 1.00 . A A . 1 TYR H2 1 1
7 1338 1 1 1 TYR H3 H -6.210 -7.451 1.507 1.00 . A A . 1 TYR H3 1 1
7 1339 1 1 1 TYR HA H -4.495 -9.123 0.101 1.00 . A A . 1 TYR HA 1 1
7 1340 1 1 1 TYR HB2 H -4.462 -6.961 -1.729 1.00 . A A . 1 TYR HB2 1 1
7 1341 1 1 1 TYR HB3 H -5.135 -8.544 -2.063 1.00 . A A . 1 TYR HB3 1 1
7 1342 1 1 1 TYR HD1 H -5.988 -5.136 -0.841 1.00 . A A . 1 TYR HD1 1 1
7 1343 1 1 1 TYR HD2 H -7.479 -8.853 -2.344 1.00 . A A . 1 TYR HD2 1 1
7 1344 1 1 1 TYR HE1 H -8.294 -4.102 -1.134 1.00 . A A . 1 TYR HE1 1 1
7 1345 1 1 1 TYR HE2 H -9.778 -7.809 -2.631 1.00 . A A . 1 TYR HE2 1 1
7 1346 1 1 1 TYR HH H -11.019 -6.071 -2.282 1.00 . A A . 1 TYR HH 1 1
7 1347 1 1 1 TYR N N -6.169 -8.090 0.740 1.00 . A A . 1 TYR N 1 1
7 1348 1 1 1 TYR O O -4.124 -6.635 1.751 1.00 . A A . 1 TYR O 1 1
7 1349 1 1 1 TYR OH O -10.351 -5.364 -2.046 1.00 . A A . 1 TYR OH 1 1
7 1350 1 1 2 CYS C C -2.160 -4.545 -0.165 1.00 . A A . 2 CYS C 1 1
7 1351 1 1 2 CYS CA C -1.820 -5.942 0.358 1.00 . A A . 2 CYS CA 1 1
7 1352 1 1 2 CYS CB C -0.424 -6.390 -0.077 1.00 . A A . 2 CYS CB 1 1
7 1353 1 1 2 CYS H H -2.681 -7.267 -1.002 1.00 . A A . 2 CYS H 1 1
7 1354 1 1 2 CYS HA H -1.844 -5.965 1.445 1.00 . A A . 2 CYS HA 1 1
7 1355 1 1 2 CYS HB2 H -0.280 -6.120 -1.125 1.00 . A A . 2 CYS HB2 1 1
7 1356 1 1 2 CYS HB3 H 0.317 -5.835 0.498 1.00 . A A . 2 CYS HB3 1 1
7 1357 1 1 2 CYS N N -2.846 -6.862 -0.102 1.00 . A A . 2 CYS N 1 1
7 1358 1 1 2 CYS O O -3.012 -4.396 -1.040 1.00 . A A . 2 CYS O 1 1
7 1359 1 1 2 CYS SG S -0.095 -8.180 0.117 1.00 . A A . 2 CYS SG 1 1
7 1360 1 1 3 LYS C C -0.399 -1.388 0.170 1.00 . A A . 3 LYS C 1 1
7 1361 1 1 3 LYS CA C -1.696 -2.177 -0.004 1.00 . A A . 3 LYS CA 1 1
7 1362 1 1 3 LYS CB C -2.885 -1.582 0.755 1.00 . A A . 3 LYS CB 1 1
7 1363 1 1 3 LYS CD C -3.843 -1.167 3.051 1.00 . A A . 3 LYS CD 1 1
7 1364 1 1 3 LYS CE C -4.647 -2.050 4.009 1.00 . A A . 3 LYS CE 1 1
7 1365 1 1 3 LYS CG C -2.864 -2.006 2.226 1.00 . A A . 3 LYS CG 1 1
7 1366 1 1 3 LYS H H -0.786 -3.687 1.105 1.00 . A A . 3 LYS H 1 1
7 1367 1 1 3 LYS HA H -1.960 -2.180 -1.062 1.00 . A A . 3 LYS HA 1 1
7 1368 1 1 3 LYS HB2 H -2.859 -0.495 0.686 1.00 . A A . 3 LYS HB2 1 1
7 1369 1 1 3 LYS HB3 H -3.816 -1.907 0.293 1.00 . A A . 3 LYS HB3 1 1
7 1370 1 1 3 LYS HD2 H -3.294 -0.414 3.617 1.00 . A A . 3 LYS HD2 1 1
7 1371 1 1 3 LYS HD3 H -4.521 -0.634 2.386 1.00 . A A . 3 LYS HD3 1 1
7 1372 1 1 3 LYS HE2 H -5.194 -2.803 3.445 1.00 . A A . 3 LYS HE2 1 1
7 1373 1 1 3 LYS HE3 H -3.969 -2.580 4.677 1.00 . A A . 3 LYS HE3 1 1
7 1374 1 1 3 LYS HG2 H -3.123 -3.060 2.308 1.00 . A A . 3 LYS HG2 1 1
7 1375 1 1 3 LYS HG3 H -1.857 -1.892 2.626 1.00 . A A . 3 LYS HG3 1 1
7 1376 1 1 3 LYS HZ1 H -5.865 -1.688 5.661 1.00 . A A . 3 LYS HZ1 1 1
7 1377 1 1 3 LYS HZ2 H -5.191 -0.334 5.060 1.00 . A A . 3 LYS HZ2 1 1
7 1378 1 1 3 LYS N N -1.478 -3.557 0.394 1.00 . A A . 3 LYS N 1 1
7 1379 1 1 3 LYS NZ N -5.590 -1.229 4.799 1.00 . A A . 3 LYS NZ 1 1
7 1380 1 1 3 LYS O O 0.308 -1.559 1.164 1.00 . A A . 3 LYS O 1 1
7 1381 1 1 4 . C C 0.730 1.722 -0.416 1.00 . A A . 4 ILG C 1 1
7 1382 1 1 4 . CA C 1.079 0.276 -0.775 1.00 . A A . 4 ILG CA 1 1
7 1383 1 1 4 . CB C 1.836 0.201 -2.131 1.00 . A A . 4 ILG CB 1 1
7 1384 1 1 4 . CD C 2.900 -1.411 -3.957 1.00 . A A . 4 ILG CD 1 1
7 1385 1 1 4 . CG C 1.849 -1.179 -2.869 1.00 . A A . 4 ILG CG 1 1
7 1386 1 1 4 . H H -0.703 -0.405 -1.613 1.00 . A A . 4 ILG H 1 1
7 1387 1 1 4 . HA H 1.721 -0.126 0.031 1.00 . A A . 4 ILG HA 1 1
7 1388 1 1 4 . HB2 H 1.413 0.959 -2.818 1.00 . A A . 4 ILG HB2 1 1
7 1389 1 1 4 . HB3 H 2.882 0.532 -1.972 1.00 . A A . 4 ILG HB3 1 1
7 1390 1 1 4 . HG2 H 1.969 -1.995 -2.131 1.00 . A A . 4 ILG HG2 1 1
7 1391 1 1 4 . HG3 H 0.863 -1.374 -3.330 1.00 . A A . 4 ILG HG3 1 1
7 1392 1 1 4 . N N -0.122 -0.540 -0.809 1.00 . A A . 4 ILG N 1 1
7 1393 1 1 4 . O O 1.553 2.622 -0.574 1.00 . A A . 4 ILG O 1 1
7 1394 1 1 4 . OE1 O 3.006 -2.470 -4.565 1.00 . A A . 4 ILG OE1 1 1
7 1395 1 1 5 PHE C C -0.579 4.266 -0.604 1.00 . A A . 5 PHE C 1 1
7 1396 1 1 5 PHE CA C -0.962 3.220 0.446 1.00 . A A . 5 PHE CA 1 1
7 1397 1 1 5 PHE CB C -0.282 3.569 1.770 1.00 . A A . 5 PHE CB 1 1
7 1398 1 1 5 PHE CD1 C 0.241 1.322 2.741 1.00 . A A . 5 PHE CD1 1 1
7 1399 1 1 5 PHE CD2 C -1.244 2.717 3.920 1.00 . A A . 5 PHE CD2 1 1
7 1400 1 1 5 PHE CE1 C 0.099 0.325 3.744 1.00 . A A . 5 PHE CE1 1 1
7 1401 1 1 5 PHE CE2 C -1.387 1.723 4.922 1.00 . A A . 5 PHE CE2 1 1
7 1402 1 1 5 PHE CG C -0.434 2.496 2.851 1.00 . A A . 5 PHE CG 1 1
7 1403 1 1 5 PHE CZ C -0.712 0.546 4.813 1.00 . A A . 5 PHE CZ 1 1
7 1404 1 1 5 PHE H H -1.158 1.162 0.187 1.00 . A A . 5 PHE H 1 1
7 1405 1 1 5 PHE HA H -2.049 3.169 0.523 1.00 . A A . 5 PHE HA 1 1
7 1406 1 1 5 PHE HB2 H 0.781 3.736 1.587 1.00 . A A . 5 PHE HB2 1 1
7 1407 1 1 5 PHE HB3 H -0.692 4.506 2.144 1.00 . A A . 5 PHE HB3 1 1
7 1408 1 1 5 PHE HD1 H 0.892 1.143 1.884 1.00 . A A . 5 PHE HD1 1 1
7 1409 1 1 5 PHE HD2 H -1.787 3.660 4.006 1.00 . A A . 5 PHE HD2 1 1
7 1410 1 1 5 PHE HE1 H 0.640 -0.618 3.656 1.00 . A A . 5 PHE HE1 1 1
7 1411 1 1 5 PHE HE2 H -2.037 1.900 5.779 1.00 . A A . 5 PHE HE2 1 1
7 1412 1 1 5 PHE HZ H -0.821 -0.218 5.581 1.00 . A A . 5 PHE HZ 1 1
7 1413 1 1 5 PHE N N -0.493 1.900 0.062 1.00 . A A . 5 PHE N 1 1
7 1414 1 1 5 PHE O O -0.408 3.937 -1.777 1.00 . A A . 5 PHE O 1 1
7 1415 1 1 6 DTR C C 1.355 6.384 -1.474 1.00 . A A . 6 DTR C 1 1
7 1416 1 1 6 DTR CA C -0.092 6.596 -1.027 1.00 . A A . 6 DTR CA 1 1
7 1417 1 1 6 DTR CB C -1.090 6.561 -2.186 1.00 . A A . 6 DTR CB 1 1
7 1418 1 1 6 DTR CD1 C -3.298 6.310 -0.873 1.00 . A A . 6 DTR CD1 1 1
7 1419 1 1 6 DTR CD2 C -3.049 4.787 -2.461 1.00 . A A . 6 DTR CD2 1 1
7 1420 1 1 6 DTR CE2 C -4.256 4.542 -1.842 1.00 . A A . 6 DTR CE2 1 1
7 1421 1 1 6 DTR CE3 C -2.595 3.986 -3.525 1.00 . A A . 6 DTR CE3 1 1
7 1422 1 1 6 DTR CG C -2.438 5.931 -1.827 1.00 . A A . 6 DTR CG 1 1
7 1423 1 1 6 DTR CH2 C -4.680 2.686 -3.268 1.00 . A A . 6 DTR CH2 1 1
7 1424 1 1 6 DTR CZ2 C -5.111 3.496 -2.213 1.00 . A A . 6 DTR CZ2 1 1
7 1425 1 1 6 DTR CZ3 C -3.460 2.946 -3.883 1.00 . A A . 6 DTR CZ3 1 1
7 1426 1 1 6 DTR H H -0.593 5.758 0.814 1.00 . A A . 6 DTR H 1 1
7 1427 1 1 6 DTR HA H -0.174 7.508 -0.436 1.00 . A A . 6 DTR HA 1 1
7 1428 1 1 6 DTR HB2 H -1.259 7.578 -2.539 1.00 . A A . 6 DTR HB2 1 1
7 1429 1 1 6 DTR HB3 H -0.650 6.003 -3.014 1.00 . A A . 6 DTR HB3 1 1
7 1430 1 1 6 DTR HD1 H -3.136 7.154 -0.202 1.00 . A A . 6 DTR HD1 1 1
7 1431 1 1 6 DTR HE1 H -5.262 5.588 -0.165 1.00 . A A . 6 DTR HE1 1 1
7 1432 1 1 6 DTR HE3 H -1.644 4.161 -4.030 1.00 . A A . 6 DTR HE3 1 1
7 1433 1 1 6 DTR HH2 H -5.298 1.853 -3.608 1.00 . A A . 6 DTR HH2 1 1
7 1434 1 1 6 DTR HZ2 H -6.061 3.324 -1.707 1.00 . A A . 6 DTR HZ2 1 1
7 1435 1 1 6 DTR HZ3 H -3.157 2.293 -4.702 1.00 . A A . 6 DTR HZ3 1 1
7 1436 1 1 6 DTR N N -0.453 5.501 -0.142 1.00 . A A . 6 DTR N 1 1
7 1437 1 1 6 DTR NE1 N -4.413 5.498 -0.844 1.00 . A A . 6 DTR NE1 1 1
7 1438 1 1 6 DTR O O 2.244 7.145 -1.096 1.00 . A A . 6 DTR O 1 1
7 1439 1 1 7 IAM C C 3.928 5.185 -1.686 1.00 . A A . 7 IAM C 1 1
7 1440 1 1 7 IAM CA C 2.872 5.025 -2.781 1.00 . A A . 7 IAM CA 1 1
7 1441 1 1 7 IAM CB C 3.172 6.011 -3.911 1.00 . A A . 7 IAM CB 1 1
7 1442 1 1 7 IAM CD1 C 3.329 4.505 -5.905 1.00 . A A . 7 IAM CD1 1 1
7 1443 1 1 7 IAM CD2 C 1.651 6.157 -5.895 1.00 . A A . 7 IAM CD2 1 1
7 1444 1 1 7 IAM CE1 C 2.890 4.067 -7.183 1.00 . A A . 7 IAM CE1 1 1
7 1445 1 1 7 IAM CE2 C 1.211 5.721 -7.173 1.00 . A A . 7 IAM CE2 1 1
7 1446 1 1 7 IAM CG C 2.700 5.541 -5.288 1.00 . A A . 7 IAM CG 1 1
7 1447 1 1 7 IAM CI C -0.166 2.516 -8.012 1.00 . A A . 7 IAM CI 1 1
7 1448 1 1 7 IAM CK1 C -0.461 1.003 -8.031 1.00 . A A . 7 IAM CK1 1 1
7 1449 1 1 7 IAM CK2 C -1.465 3.297 -8.275 1.00 . A A . 7 IAM CK2 1 1
7 1450 1 1 7 IAM CT C 1.365 4.211 -9.174 1.00 . A A . 7 IAM CT 1 1
7 1451 1 1 7 IAM CZ C 1.841 4.685 -7.791 1.00 . A A . 7 IAM CZ 1 1
7 1452 1 1 7 IAM H H 0.818 4.732 -2.580 1.00 . A A . 7 IAM H 1 1
7 1453 1 1 7 IAM HA H 2.847 3.987 -3.110 1.00 . A A . 7 IAM HA 1 1
7 1454 1 1 7 IAM HB H 2.699 6.964 -3.682 1.00 . A A . 7 IAM HB 1 1
7 1455 1 1 7 IAM HB1 H 4.246 6.189 -3.949 1.00 . A A . 7 IAM HB1 1 1
7 1456 1 1 7 IAM HD1 H 4.170 4.010 -5.420 1.00 . A A . 7 IAM HD1 1 1
7 1457 1 1 7 IAM HD2 H 1.147 6.988 -5.399 1.00 . A A . 7 IAM HD2 1 1
7 1458 1 1 7 IAM HE1 H 3.393 3.236 -7.678 1.00 . A A . 7 IAM HE1 1 1
7 1459 1 1 7 IAM HE2 H 0.371 6.214 -7.658 1.00 . A A . 7 IAM HE2 1 1
7 1460 1 1 7 IAM HH H 1.138 2.107 -9.718 1.00 . A A . 7 IAM HH 1 1
7 1461 1 1 7 IAM HI H 0.228 2.789 -7.055 1.00 . A A . 7 IAM HI 1 1
7 1462 1 1 7 IAM HK11 H -0.854 0.729 -8.989 1.00 . A A . 7 IAM HK11 1 1
7 1463 1 1 7 IAM HK12 H 0.443 0.462 -7.848 1.00 . A A . 7 IAM HK12 1 1
7 1464 1 1 7 IAM HK13 H -1.176 0.771 -7.271 1.00 . A A . 7 IAM HK13 1 1
7 1465 1 1 7 IAM HK21 H -1.259 4.345 -8.263 1.00 . A A . 7 IAM HK21 1 1
7 1466 1 1 7 IAM HK22 H -1.860 3.023 -9.232 1.00 . A A . 7 IAM HK22 1 1
7 1467 1 1 7 IAM HK23 H -2.183 3.064 -7.516 1.00 . A A . 7 IAM HK23 1 1
7 1468 1 1 7 IAM HT1 H 2.190 4.217 -9.858 1.00 . A A . 7 IAM HT1 1 1
7 1469 1 1 7 IAM HT2 H 0.598 4.867 -9.533 1.00 . A A . 7 IAM HT2 1 1
7 1470 1 1 7 IAM N N 1.547 5.346 -2.277 1.00 . A A . 7 IAM N 1 1
7 1471 1 1 7 IAM NH N 0.824 2.839 -9.063 1.00 . A A . 7 IAM NH 1 1
7 1472 1 1 7 IAM O O 4.939 5.855 -1.888 1.00 . A A . 7 IAM O 1 1
7 1473 1 1 8 THR C C 4.869 3.220 1.104 1.00 . A A . 8 THR C 1 1
7 1474 1 1 8 THR CA C 4.574 4.624 0.576 1.00 . A A . 8 THR CA 1 1
7 1475 1 1 8 THR CB C 3.964 5.553 1.629 1.00 . A A . 8 THR CB 1 1
7 1476 1 1 8 THR CG2 C 2.724 4.951 2.292 1.00 . A A . 8 THR CG2 1 1
7 1477 1 1 8 THR H H 2.833 4.015 -0.394 1.00 . A A . 8 THR H 1 1
7 1478 1 1 8 THR HA H 5.520 5.040 0.228 1.00 . A A . 8 THR HA 1 1
7 1479 1 1 8 THR HB H 3.740 6.531 1.201 1.00 . A A . 8 THR HB 1 1
7 1480 1 1 8 THR HG1 H 5.129 4.656 2.984 1.00 . A A . 8 THR HG1 1 1
7 1481 1 1 8 THR HG21 H 2.629 5.343 3.305 1.00 . A A . 8 THR HG21 1 1
7 1482 1 1 8 THR HG22 H 1.838 5.218 1.716 1.00 . A A . 8 THR HG22 1 1
7 1483 1 1 8 THR HG23 H 2.822 3.866 2.329 1.00 . A A . 8 THR HG23 1 1
7 1484 1 1 8 THR N N 3.659 4.559 -0.551 1.00 . A A . 8 THR N 1 1
7 1485 1 1 8 THR O O 5.053 2.286 0.327 1.00 . A A . 8 THR O 1 1
7 1486 1 1 8 THR OG1 O 4.936 5.585 2.670 1.00 . A A . 8 THR OG1 1 1
7 1487 1 1 9 PHE C C 4.157 0.783 2.638 1.00 . A A . 9 PHE C 1 1
7 1488 1 1 9 PHE CA C 5.177 1.839 3.067 1.00 . A A . 9 PHE CA 1 1
7 1489 1 1 9 PHE CB C 5.057 2.063 4.576 1.00 . A A . 9 PHE CB 1 1
7 1490 1 1 9 PHE CD1 C 2.629 2.505 5.008 1.00 . A A . 9 PHE CD1 1 1
7 1491 1 1 9 PHE CD2 C 4.150 4.280 5.306 1.00 . A A . 9 PHE CD2 1 1
7 1492 1 1 9 PHE CE1 C 1.558 3.360 5.382 1.00 . A A . 9 PHE CE1 1 1
7 1493 1 1 9 PHE CE2 C 3.079 5.134 5.680 1.00 . A A . 9 PHE CE2 1 1
7 1494 1 1 9 PHE CG C 3.903 2.984 4.978 1.00 . A A . 9 PHE CG 1 1
7 1495 1 1 9 PHE CZ C 1.807 4.656 5.710 1.00 . A A . 9 PHE CZ 1 1
7 1496 1 1 9 PHE H H 4.756 3.879 3.052 1.00 . A A . 9 PHE H 1 1
7 1497 1 1 9 PHE HA H 6.174 1.525 2.758 1.00 . A A . 9 PHE HA 1 1
7 1498 1 1 9 PHE HB2 H 4.927 1.098 5.068 1.00 . A A . 9 PHE HB2 1 1
7 1499 1 1 9 PHE HB3 H 5.991 2.486 4.945 1.00 . A A . 9 PHE HB3 1 1
7 1500 1 1 9 PHE HD1 H 2.432 1.465 4.746 1.00 . A A . 9 PHE HD1 1 1
7 1501 1 1 9 PHE HD2 H 5.170 4.663 5.281 1.00 . A A . 9 PHE HD2 1 1
7 1502 1 1 9 PHE HE1 H 0.539 2.976 5.405 1.00 . A A . 9 PHE HE1 1 1
7 1503 1 1 9 PHE HE2 H 3.276 6.174 5.943 1.00 . A A . 9 PHE HE2 1 1
7 1504 1 1 9 PHE HZ H 0.984 5.311 5.997 1.00 . A A . 9 PHE HZ 1 1
7 1505 1 1 9 PHE N N 4.906 3.114 2.425 1.00 . A A . 9 PHE N 1 1
7 1506 1 1 9 PHE O O 3.033 1.115 2.265 1.00 . A A . 9 PHE O 1 1
7 1507 1 1 10 LYS C C 3.196 -2.259 3.595 1.00 . A A . 10 LYS C 1 1
7 1508 1 1 10 LYS CA C 3.724 -1.578 2.331 1.00 . A A . 10 LYS CA 1 1
7 1509 1 1 10 LYS CB C 4.456 -2.527 1.380 1.00 . A A . 10 LYS CB 1 1
7 1510 1 1 10 LYS CD C 4.358 -2.008 -1.086 1.00 . A A . 10 LYS CD 1 1
7 1511 1 1 10 LYS CE C 5.335 -2.142 -2.254 1.00 . A A . 10 LYS CE 1 1
7 1512 1 1 10 LYS CG C 5.102 -1.758 0.227 1.00 . A A . 10 LYS CG 1 1
7 1513 1 1 10 LYS H H 5.501 -0.732 3.014 1.00 . A A . 10 LYS H 1 1
7 1514 1 1 10 LYS HA H 2.878 -1.163 1.783 1.00 . A A . 10 LYS HA 1 1
7 1515 1 1 10 LYS HB2 H 5.221 -3.078 1.928 1.00 . A A . 10 LYS HB2 1 1
7 1516 1 1 10 LYS HB3 H 3.757 -3.262 0.985 1.00 . A A . 10 LYS HB3 1 1
7 1517 1 1 10 LYS HD2 H 3.760 -2.918 -1.000 1.00 . A A . 10 LYS HD2 1 1
7 1518 1 1 10 LYS HD3 H 3.665 -1.190 -1.278 1.00 . A A . 10 LYS HD3 1 1
7 1519 1 1 10 LYS HE2 H 6.241 -1.574 -2.043 1.00 . A A . 10 LYS HE2 1 1
7 1520 1 1 10 LYS HE3 H 5.630 -3.184 -2.371 1.00 . A A . 10 LYS HE3 1 1
7 1521 1 1 10 LYS HG2 H 5.103 -0.692 0.451 1.00 . A A . 10 LYS HG2 1 1
7 1522 1 1 10 LYS HG3 H 6.143 -2.062 0.121 1.00 . A A . 10 LYS HG3 1 1
7 1523 1 1 10 LYS HZ3 H 4.427 -2.457 -4.083 1.00 . A A . 10 LYS HZ3 1 1
7 1524 1 1 10 LYS N N 4.585 -0.470 2.708 1.00 . A A . 10 LYS N 1 1
7 1525 1 1 10 LYS NZ N 4.716 -1.654 -3.506 1.00 . A A . 10 LYS NZ 1 1
7 1526 1 1 10 LYS O O 3.925 -2.412 4.574 1.00 . A A . 10 LYS O 1 1
7 1527 1 1 11 SER C C 1.285 -4.827 4.437 1.00 . A A . 11 SER C 1 1
7 1528 1 1 11 SER CA C 1.297 -3.314 4.659 1.00 . A A . 11 SER CA 1 1
7 1529 1 1 11 SER CB C -0.132 -2.758 4.878 1.00 . A A . 11 SER CB 1 1
7 1530 1 1 11 SER H H 1.344 -2.524 2.733 1.00 . A A . 11 SER H 1 1
7 1531 1 1 11 SER HA H 1.888 -3.129 5.576 1.00 . A A . 11 SER HA 1 1
7 1532 1 1 11 SER HB2 H -0.131 -2.049 5.730 1.00 . A A . 11 SER HB2 1 1
7 1533 1 1 11 SER HB3 H -0.467 -2.159 4.009 1.00 . A A . 11 SER HB3 1 1
7 1534 1 1 11 SER HG H -1.138 -4.350 4.371 1.00 . A A . 11 SER HG 1 1
7 1535 1 1 11 SER N N 1.931 -2.652 3.533 1.00 . A A . 11 SER N 1 1
7 1536 1 1 11 SER O O 1.818 -5.582 5.251 1.00 . A A . 11 SER O 1 1
7 1537 1 1 11 SER OG O -1.092 -3.784 5.148 1.00 . A A . 11 SER OG 1 1
7 1538 1 1 12 CYS C C 0.264 -7.418 4.271 1.00 . A A . 12 CYS C 1 1
7 1539 1 1 12 CYS CA C 0.583 -6.637 2.995 1.00 . A A . 12 CYS CA 1 1
7 1540 1 1 12 CYS CB C 1.862 -7.139 2.322 1.00 . A A . 12 CYS CB 1 1
7 1541 1 1 12 CYS H H 0.241 -4.606 2.678 1.00 . A A . 12 CYS H 1 1
7 1542 1 1 12 CYS HA H -0.224 -6.734 2.271 1.00 . A A . 12 CYS HA 1 1
7 1543 1 1 12 CYS HB2 H 2.360 -6.294 1.845 1.00 . A A . 12 CYS HB2 1 1
7 1544 1 1 12 CYS HB3 H 2.538 -7.513 3.092 1.00 . A A . 12 CYS HB3 1 1
7 1545 1 1 12 CYS N N 0.673 -5.227 3.333 1.00 . A A . 12 CYS N 1 1
7 1546 1 1 12 CYS O O 0.025 -6.767 5.395 1.00 . A A . 12 CYS O 1 1
7 1547 1 1 12 CYS SG S 1.609 -8.452 1.074 1.00 . A A . 12 CYS SG 1 1
8 1548 1 1 1 TYR C C -3.127 -6.992 1.063 1.00 . A A . 1 TYR C 1 1
8 1549 1 1 1 TYR CA C -4.303 -7.955 1.234 1.00 . A A . 1 TYR CA 1 1
8 1550 1 1 1 TYR CB C -5.036 -8.089 -0.101 1.00 . A A . 1 TYR CB 1 1
8 1551 1 1 1 TYR CD1 C -6.440 -5.996 -0.024 1.00 . A A . 1 TYR CD1 1 1
8 1552 1 1 1 TYR CD2 C -7.549 -8.094 -0.308 1.00 . A A . 1 TYR CD2 1 1
8 1553 1 1 1 TYR CE1 C -7.710 -5.317 -0.066 1.00 . A A . 1 TYR CE1 1 1
8 1554 1 1 1 TYR CE2 C -8.820 -7.417 -0.350 1.00 . A A . 1 TYR CE2 1 1
8 1555 1 1 1 TYR CG C -6.386 -7.369 -0.146 1.00 . A A . 1 TYR CG 1 1
8 1556 1 1 1 TYR CZ C -8.837 -6.062 -0.228 1.00 . A A . 1 TYR CZ 1 1
8 1557 1 1 1 TYR H1 H -6.093 -8.051 2.213 1.00 . A A . 1 TYR H1 1 1
8 1558 1 1 1 TYR H2 H -4.851 -7.357 3.110 1.00 . A A . 1 TYR H2 1 1
8 1559 1 1 1 TYR H3 H -5.045 -6.532 2.562 1.00 . A A . 1 TYR H3 1 1
8 1560 1 1 1 TYR HA H -3.934 -8.901 1.630 1.00 . A A . 1 TYR HA 1 1
8 1561 1 1 1 TYR HB2 H -4.401 -7.694 -0.895 1.00 . A A . 1 TYR HB2 1 1
8 1562 1 1 1 TYR HB3 H -5.193 -9.146 -0.314 1.00 . A A . 1 TYR HB3 1 1
8 1563 1 1 1 TYR HD1 H -5.522 -5.424 0.103 1.00 . A A . 1 TYR HD1 1 1
8 1564 1 1 1 TYR HD2 H -7.505 -9.179 -0.405 1.00 . A A . 1 TYR HD2 1 1
8 1565 1 1 1 TYR HE1 H -7.768 -4.234 0.029 1.00 . A A . 1 TYR HE1 1 1
8 1566 1 1 1 TYR HE2 H -9.746 -7.977 -0.477 1.00 . A A . 1 TYR HE2 1 1
8 1567 1 1 1 TYR HH H -9.896 -4.433 -0.305 1.00 . A A . 1 TYR HH 1 1
8 1568 1 1 1 TYR N N -5.276 -7.424 2.174 1.00 . A A . 1 TYR N 1 1
8 1569 1 1 1 TYR O O -2.955 -6.068 1.856 1.00 . A A . 1 TYR O 1 1
8 1570 1 1 1 TYR OH O -10.037 -5.422 -0.268 1.00 . A A . 1 TYR OH 1 1
8 1571 1 1 2 CYS C C -1.686 -5.008 -0.626 1.00 . A A . 2 CYS C 1 1
8 1572 1 1 2 CYS CA C -1.190 -6.409 -0.265 1.00 . A A . 2 CYS CA 1 1
8 1573 1 1 2 CYS CB C -0.321 -7.011 -1.370 1.00 . A A . 2 CYS CB 1 1
8 1574 1 1 2 CYS H H -2.493 -7.997 -0.618 1.00 . A A . 2 CYS H 1 1
8 1575 1 1 2 CYS HA H -0.590 -6.385 0.643 1.00 . A A . 2 CYS HA 1 1
8 1576 1 1 2 CYS HB2 H -0.838 -7.873 -1.793 1.00 . A A . 2 CYS HB2 1 1
8 1577 1 1 2 CYS HB3 H -0.216 -6.279 -2.171 1.00 . A A . 2 CYS HB3 1 1
8 1578 1 1 2 CYS N N -2.346 -7.243 0.021 1.00 . A A . 2 CYS N 1 1
8 1579 1 1 2 CYS O O -2.556 -4.856 -1.482 1.00 . A A . 2 CYS O 1 1
8 1580 1 1 2 CYS SG S 1.350 -7.535 -0.835 1.00 . A A . 2 CYS SG 1 1
8 1581 1 1 3 LYS C C -0.309 -1.726 0.178 1.00 . A A . 3 LYS C 1 1
8 1582 1 1 3 LYS CA C -1.481 -2.637 -0.197 1.00 . A A . 3 LYS CA 1 1
8 1583 1 1 3 LYS CB C -2.782 -2.298 0.533 1.00 . A A . 3 LYS CB 1 1
8 1584 1 1 3 LYS CD C -3.909 -2.127 2.783 1.00 . A A . 3 LYS CD 1 1
8 1585 1 1 3 LYS CE C -4.717 -3.292 3.356 1.00 . A A . 3 LYS CE 1 1
8 1586 1 1 3 LYS CG C -2.680 -2.632 2.022 1.00 . A A . 3 LYS CG 1 1
8 1587 1 1 3 LYS H H -0.402 -4.154 0.738 1.00 . A A . 3 LYS H 1 1
8 1588 1 1 3 LYS HA H -1.673 -2.532 -1.264 1.00 . A A . 3 LYS HA 1 1
8 1589 1 1 3 LYS HB2 H -3.007 -1.237 0.409 1.00 . A A . 3 LYS HB2 1 1
8 1590 1 1 3 LYS HB3 H -3.609 -2.851 0.087 1.00 . A A . 3 LYS HB3 1 1
8 1591 1 1 3 LYS HD2 H -3.593 -1.465 3.590 1.00 . A A . 3 LYS HD2 1 1
8 1592 1 1 3 LYS HD3 H -4.537 -1.537 2.115 1.00 . A A . 3 LYS HD3 1 1
8 1593 1 1 3 LYS HE2 H -4.456 -4.212 2.834 1.00 . A A . 3 LYS HE2 1 1
8 1594 1 1 3 LYS HE3 H -4.460 -3.437 4.406 1.00 . A A . 3 LYS HE3 1 1
8 1595 1 1 3 LYS HG2 H -2.586 -3.709 2.150 1.00 . A A . 3 LYS HG2 1 1
8 1596 1 1 3 LYS HG3 H -1.779 -2.180 2.439 1.00 . A A . 3 LYS HG3 1 1
8 1597 1 1 3 LYS HZ1 H -6.712 -3.572 3.887 1.00 . A A . 3 LYS HZ1 1 1
8 1598 1 1 3 LYS HZ2 H -6.394 -2.057 3.386 1.00 . A A . 3 LYS HZ2 1 1
8 1599 1 1 3 LYS N N -1.110 -4.021 0.044 1.00 . A A . 3 LYS N 1 1
8 1600 1 1 3 LYS NZ N -6.166 -3.031 3.224 1.00 . A A . 3 LYS NZ 1 1
8 1601 1 1 3 LYS O O 0.048 -1.620 1.349 1.00 . A A . 3 LYS O 1 1
8 1602 1 1 4 . C C 0.878 1.227 -0.359 1.00 . A A . 4 ILG C 1 1
8 1603 1 1 4 . CA C 1.378 -0.195 -0.632 1.00 . A A . 4 ILG CA 1 1
8 1604 1 1 4 . CB C 2.345 -0.228 -1.849 1.00 . A A . 4 ILG CB 1 1
8 1605 1 1 4 . CD C 3.989 -1.781 -3.243 1.00 . A A . 4 ILG CD 1 1
8 1606 1 1 4 . CG C 2.687 -1.629 -2.454 1.00 . A A . 4 ILG CG 1 1
8 1607 1 1 4 . H H -0.043 -1.184 -1.790 1.00 . A A . 4 ILG H 1 1
8 1608 1 1 4 . HA H 1.907 -0.545 0.272 1.00 . A A . 4 ILG HA 1 1
8 1609 1 1 4 . HB2 H 1.927 0.408 -2.654 1.00 . A A . 4 ILG HB2 1 1
8 1610 1 1 4 . HB3 H 3.287 0.281 -1.566 1.00 . A A . 4 ILG HB3 1 1
8 1611 1 1 4 . HG2 H 2.712 -2.387 -1.649 1.00 . A A . 4 ILG HG2 1 1
8 1612 1 1 4 . HG3 H 1.869 -1.967 -3.118 1.00 . A A . 4 ILG HG3 1 1
8 1613 1 1 4 . N N 0.254 -1.093 -0.840 1.00 . A A . 4 ILG N 1 1
8 1614 1 1 4 . O O 1.636 2.188 -0.470 1.00 . A A . 4 ILG O 1 1
8 1615 1 1 4 . OE1 O 4.356 -2.844 -3.726 1.00 . A A . 4 ILG OE1 1 1
8 1616 1 1 5 PHE C C -0.587 3.650 -0.750 1.00 . A A . 5 PHE C 1 1
8 1617 1 1 5 PHE CA C -1.007 2.600 0.280 1.00 . A A . 5 PHE CA 1 1
8 1618 1 1 5 PHE CB C -0.509 3.031 1.661 1.00 . A A . 5 PHE CB 1 1
8 1619 1 1 5 PHE CD1 C 0.129 0.967 2.928 1.00 . A A . 5 PHE CD1 1 1
8 1620 1 1 5 PHE CD2 C -1.838 2.096 3.568 1.00 . A A . 5 PHE CD2 1 1
8 1621 1 1 5 PHE CE1 C -0.092 0.004 3.949 1.00 . A A . 5 PHE CE1 1 1
8 1622 1 1 5 PHE CE2 C -2.060 1.133 4.588 1.00 . A A . 5 PHE CE2 1 1
8 1623 1 1 5 PHE CG C -0.749 1.993 2.761 1.00 . A A . 5 PHE CG 1 1
8 1624 1 1 5 PHE CZ C -1.181 0.108 4.757 1.00 . A A . 5 PHE CZ 1 1
8 1625 1 1 5 PHE H H -1.008 0.528 0.078 1.00 . A A . 5 PHE H 1 1
8 1626 1 1 5 PHE HA H -2.088 2.463 0.236 1.00 . A A . 5 PHE HA 1 1
8 1627 1 1 5 PHE HB2 H 0.559 3.242 1.601 1.00 . A A . 5 PHE HB2 1 1
8 1628 1 1 5 PHE HB3 H -1.004 3.961 1.941 1.00 . A A . 5 PHE HB3 1 1
8 1629 1 1 5 PHE HD1 H 1.003 0.885 2.282 1.00 . A A . 5 PHE HD1 1 1
8 1630 1 1 5 PHE HD2 H -2.542 2.918 3.432 1.00 . A A . 5 PHE HD2 1 1
8 1631 1 1 5 PHE HE1 H 0.611 -0.817 4.084 1.00 . A A . 5 PHE HE1 1 1
8 1632 1 1 5 PHE HE2 H -2.932 1.217 5.236 1.00 . A A . 5 PHE HE2 1 1
8 1633 1 1 5 PHE HZ H -1.352 -0.632 5.539 1.00 . A A . 5 PHE HZ 1 1
8 1634 1 1 5 PHE N N -0.398 1.313 -0.008 1.00 . A A . 5 PHE N 1 1
8 1635 1 1 5 PHE O O -0.162 3.309 -1.851 1.00 . A A . 5 PHE O 1 1
8 1636 1 1 6 DTR C C 1.135 5.899 -1.536 1.00 . A A . 6 DTR C 1 1
8 1637 1 1 6 DTR CA C -0.360 6.010 -1.229 1.00 . A A . 6 DTR CA 1 1
8 1638 1 1 6 DTR CB C -1.239 5.877 -2.475 1.00 . A A . 6 DTR CB 1 1
8 1639 1 1 6 DTR CD1 C -3.190 7.279 -1.532 1.00 . A A . 6 DTR CD1 1 1
8 1640 1 1 6 DTR CD2 C -2.847 7.605 -3.696 1.00 . A A . 6 DTR CD2 1 1
8 1641 1 1 6 DTR CE2 C -3.907 8.404 -3.323 1.00 . A A . 6 DTR CE2 1 1
8 1642 1 1 6 DTR CE3 C -2.377 7.581 -5.022 1.00 . A A . 6 DTR CE3 1 1
8 1643 1 1 6 DTR CG C -2.392 6.882 -2.532 1.00 . A A . 6 DTR CG 1 1
8 1644 1 1 6 DTR CH2 C -4.138 9.236 -5.540 1.00 . A A . 6 DTR CH2 1 1
8 1645 1 1 6 DTR CZ2 C -4.586 9.242 -4.214 1.00 . A A . 6 DTR CZ2 1 1
8 1646 1 1 6 DTR CZ3 C -3.068 8.424 -5.900 1.00 . A A . 6 DTR CZ3 1 1
8 1647 1 1 6 DTR H H -1.067 5.177 0.544 1.00 . A A . 6 DTR H 1 1
8 1648 1 1 6 DTR HA H -0.563 6.924 -0.673 1.00 . A A . 6 DTR HA 1 1
8 1649 1 1 6 DTR HB2 H -0.616 6.005 -3.362 1.00 . A A . 6 DTR HB2 1 1
8 1650 1 1 6 DTR HB3 H -1.648 4.868 -2.513 1.00 . A A . 6 DTR HB3 1 1
8 1651 1 1 6 DTR HD1 H -3.113 6.920 -0.506 1.00 . A A . 6 DTR HD1 1 1
8 1652 1 1 6 DTR HE1 H -4.887 8.681 -1.354 1.00 . A A . 6 DTR HE1 1 1
8 1653 1 1 6 DTR HE3 H -1.541 6.958 -5.339 1.00 . A A . 6 DTR HE3 1 1
8 1654 1 1 6 DTR HH2 H -4.623 9.866 -6.286 1.00 . A A . 6 DTR HH2 1 1
8 1655 1 1 6 DTR HZ2 H -5.421 9.865 -3.894 1.00 . A A . 6 DTR HZ2 1 1
8 1656 1 1 6 DTR HZ3 H -2.745 8.444 -6.942 1.00 . A A . 6 DTR HZ3 1 1
8 1657 1 1 6 DTR N N -0.720 4.908 -0.353 1.00 . A A . 6 DTR N 1 1
8 1658 1 1 6 DTR NE1 N -4.122 8.200 -1.964 1.00 . A A . 6 DTR NE1 1 1
8 1659 1 1 6 DTR O O 1.954 6.555 -0.894 1.00 . A A . 6 DTR O 1 1
8 1660 1 1 7 IAM C C 3.777 5.087 -1.741 1.00 . A A . 7 IAM C 1 1
8 1661 1 1 7 IAM CA C 2.828 4.863 -2.919 1.00 . A A . 7 IAM CA 1 1
8 1662 1 1 7 IAM CB C 3.134 5.893 -4.009 1.00 . A A . 7 IAM CB 1 1
8 1663 1 1 7 IAM CD1 C 1.667 6.306 -5.996 1.00 . A A . 7 IAM CD1 1 1
8 1664 1 1 7 IAM CD2 C 3.040 4.392 -6.011 1.00 . A A . 7 IAM CD2 1 1
8 1665 1 1 7 IAM CE1 C 1.165 5.955 -7.278 1.00 . A A . 7 IAM CE1 1 1
8 1666 1 1 7 IAM CE2 C 2.539 4.042 -7.294 1.00 . A A . 7 IAM CE2 1 1
8 1667 1 1 7 IAM CG C 2.594 5.516 -5.390 1.00 . A A . 7 IAM CG 1 1
8 1668 1 1 7 IAM CI C -1.032 3.193 -8.541 1.00 . A A . 7 IAM CI 1 1
8 1669 1 1 7 IAM CK1 C -0.910 2.607 -7.121 1.00 . A A . 7 IAM CK1 1 1
8 1670 1 1 7 IAM CK2 C -2.004 2.336 -9.369 1.00 . A A . 7 IAM CK2 1 1
8 1671 1 1 7 IAM CT C 1.070 4.453 -9.288 1.00 . A A . 7 IAM CT 1 1
8 1672 1 1 7 IAM CZ C 1.611 4.831 -7.899 1.00 . A A . 7 IAM CZ 1 1
8 1673 1 1 7 IAM H H 0.773 4.539 -3.037 1.00 . A A . 7 IAM H 1 1
8 1674 1 1 7 IAM HA H 2.916 3.834 -3.264 1.00 . A A . 7 IAM HA 1 1
8 1675 1 1 7 IAM HB H 2.711 6.854 -3.715 1.00 . A A . 7 IAM HB 1 1
8 1676 1 1 7 IAM HB1 H 4.212 6.026 -4.077 1.00 . A A . 7 IAM HB1 1 1
8 1677 1 1 7 IAM HD1 H 1.309 7.206 -5.497 1.00 . A A . 7 IAM HD1 1 1
8 1678 1 1 7 IAM HD2 H 3.783 3.760 -5.525 1.00 . A A . 7 IAM HD2 1 1
8 1679 1 1 7 IAM HE1 H 0.423 6.590 -7.765 1.00 . A A . 7 IAM HE1 1 1
8 1680 1 1 7 IAM HE2 H 2.899 3.142 -7.792 1.00 . A A . 7 IAM HE2 1 1
8 1681 1 1 7 IAM HH H 0.686 2.321 -9.572 1.00 . A A . 7 IAM HH 1 1
8 1682 1 1 7 IAM HI H -1.400 4.195 -8.480 1.00 . A A . 7 IAM HI 1 1
8 1683 1 1 7 IAM HK11 H -0.540 1.603 -7.181 1.00 . A A . 7 IAM HK11 1 1
8 1684 1 1 7 IAM HK12 H -0.233 3.201 -6.546 1.00 . A A . 7 IAM HK12 1 1
8 1685 1 1 7 IAM HK13 H -1.872 2.604 -6.652 1.00 . A A . 7 IAM HK13 1 1
8 1686 1 1 7 IAM HK21 H -2.088 2.745 -10.354 1.00 . A A . 7 IAM HK21 1 1
8 1687 1 1 7 IAM HK22 H -1.637 1.333 -9.429 1.00 . A A . 7 IAM HK22 1 1
8 1688 1 1 7 IAM HK23 H -2.968 2.334 -8.902 1.00 . A A . 7 IAM HK23 1 1
8 1689 1 1 7 IAM HT1 H 1.888 4.318 -9.966 1.00 . A A . 7 IAM HT1 1 1
8 1690 1 1 7 IAM HT2 H 0.431 5.234 -9.649 1.00 . A A . 7 IAM HT2 1 1
8 1691 1 1 7 IAM N N 1.445 5.067 -2.520 1.00 . A A . 7 IAM N 1 1
8 1692 1 1 7 IAM NH N 0.299 3.196 -9.189 1.00 . A A . 7 IAM NH 1 1
8 1693 1 1 7 IAM O O 4.714 5.879 -1.835 1.00 . A A . 7 IAM O 1 1
8 1694 1 1 8 THR C C 4.639 3.095 1.095 1.00 . A A . 8 THR C 1 1
8 1695 1 1 8 THR CA C 4.323 4.483 0.537 1.00 . A A . 8 THR CA 1 1
8 1696 1 1 8 THR CB C 3.589 5.386 1.533 1.00 . A A . 8 THR CB 1 1
8 1697 1 1 8 THR CG2 C 2.334 4.726 2.107 1.00 . A A . 8 THR CG2 1 1
8 1698 1 1 8 THR H H 2.740 3.733 -0.589 1.00 . A A . 8 THR H 1 1
8 1699 1 1 8 THR HA H 5.273 4.942 0.262 1.00 . A A . 8 THR HA 1 1
8 1700 1 1 8 THR HB H 3.351 6.349 1.081 1.00 . A A . 8 THR HB 1 1
8 1701 1 1 8 THR HG1 H 4.692 4.555 2.980 1.00 . A A . 8 THR HG1 1 1
8 1702 1 1 8 THR HG21 H 2.144 5.117 3.106 1.00 . A A . 8 THR HG21 1 1
8 1703 1 1 8 THR HG22 H 1.482 4.944 1.464 1.00 . A A . 8 THR HG22 1 1
8 1704 1 1 8 THR HG23 H 2.483 3.647 2.160 1.00 . A A . 8 THR HG23 1 1
8 1705 1 1 8 THR N N 3.504 4.374 -0.658 1.00 . A A . 8 THR N 1 1
8 1706 1 1 8 THR O O 4.887 2.159 0.339 1.00 . A A . 8 THR O 1 1
8 1707 1 1 8 THR OG1 O 4.477 5.471 2.643 1.00 . A A . 8 THR OG1 1 1
8 1708 1 1 9 PHE C C 4.000 0.632 2.561 1.00 . A A . 9 PHE C 1 1
8 1709 1 1 9 PHE CA C 4.904 1.749 3.088 1.00 . A A . 9 PHE CA 1 1
8 1710 1 1 9 PHE CB C 4.620 1.961 4.576 1.00 . A A . 9 PHE CB 1 1
8 1711 1 1 9 PHE CD1 C 2.137 2.219 4.773 1.00 . A A . 9 PHE CD1 1 1
8 1712 1 1 9 PHE CD2 C 3.484 4.108 5.191 1.00 . A A . 9 PHE CD2 1 1
8 1713 1 1 9 PHE CE1 C 0.974 2.992 5.035 1.00 . A A . 9 PHE CE1 1 1
8 1714 1 1 9 PHE CE2 C 2.321 4.879 5.453 1.00 . A A . 9 PHE CE2 1 1
8 1715 1 1 9 PHE CG C 3.366 2.794 4.857 1.00 . A A . 9 PHE CG 1 1
8 1716 1 1 9 PHE CZ C 1.091 4.305 5.369 1.00 . A A . 9 PHE CZ 1 1
8 1717 1 1 9 PHE H H 4.421 3.774 3.028 1.00 . A A . 9 PHE H 1 1
8 1718 1 1 9 PHE HA H 5.945 1.497 2.882 1.00 . A A . 9 PHE HA 1 1
8 1719 1 1 9 PHE HB2 H 4.513 0.988 5.057 1.00 . A A . 9 PHE HB2 1 1
8 1720 1 1 9 PHE HB3 H 5.478 2.451 5.034 1.00 . A A . 9 PHE HB3 1 1
8 1721 1 1 9 PHE HD1 H 2.044 1.167 4.506 1.00 . A A . 9 PHE HD1 1 1
8 1722 1 1 9 PHE HD2 H 4.470 4.566 5.258 1.00 . A A . 9 PHE HD2 1 1
8 1723 1 1 9 PHE HE1 H -0.014 2.532 4.968 1.00 . A A . 9 PHE HE1 1 1
8 1724 1 1 9 PHE HE2 H 2.415 5.931 5.721 1.00 . A A . 9 PHE HE2 1 1
8 1725 1 1 9 PHE HZ H 0.198 4.898 5.568 1.00 . A A . 9 PHE HZ 1 1
8 1726 1 1 9 PHE N N 4.622 3.007 2.418 1.00 . A A . 9 PHE N 1 1
8 1727 1 1 9 PHE O O 3.113 0.880 1.746 1.00 . A A . 9 PHE O 1 1
8 1728 1 1 10 LYS C C 2.864 -2.389 3.873 1.00 . A A . 10 LYS C 1 1
8 1729 1 1 10 LYS CA C 3.477 -1.727 2.637 1.00 . A A . 10 LYS CA 1 1
8 1730 1 1 10 LYS CB C 4.330 -2.674 1.791 1.00 . A A . 10 LYS CB 1 1
8 1731 1 1 10 LYS CD C 5.779 -1.770 -0.063 1.00 . A A . 10 LYS CD 1 1
8 1732 1 1 10 LYS CE C 6.293 -2.565 -1.265 1.00 . A A . 10 LYS CE 1 1
8 1733 1 1 10 LYS CG C 4.371 -2.220 0.331 1.00 . A A . 10 LYS CG 1 1
8 1734 1 1 10 LYS H H 4.980 -0.764 3.713 1.00 . A A . 10 LYS H 1 1
8 1735 1 1 10 LYS HA H 2.669 -1.367 2.002 1.00 . A A . 10 LYS HA 1 1
8 1736 1 1 10 LYS HB2 H 5.342 -2.715 2.191 1.00 . A A . 10 LYS HB2 1 1
8 1737 1 1 10 LYS HB3 H 3.924 -3.685 1.850 1.00 . A A . 10 LYS HB3 1 1
8 1738 1 1 10 LYS HD2 H 5.770 -0.706 -0.302 1.00 . A A . 10 LYS HD2 1 1
8 1739 1 1 10 LYS HD3 H 6.457 -1.900 0.780 1.00 . A A . 10 LYS HD3 1 1
8 1740 1 1 10 LYS HE2 H 7.156 -2.062 -1.700 1.00 . A A . 10 LYS HE2 1 1
8 1741 1 1 10 LYS HE3 H 6.628 -3.551 -0.938 1.00 . A A . 10 LYS HE3 1 1
8 1742 1 1 10 LYS HG2 H 4.052 -3.037 -0.316 1.00 . A A . 10 LYS HG2 1 1
8 1743 1 1 10 LYS HG3 H 3.668 -1.401 0.182 1.00 . A A . 10 LYS HG3 1 1
8 1744 1 1 10 LYS HZ3 H 4.836 -3.661 -2.236 1.00 . A A . 10 LYS HZ3 1 1
8 1745 1 1 10 LYS N N 4.257 -0.572 3.049 1.00 . A A . 10 LYS N 1 1
8 1746 1 1 10 LYS NZ N 5.229 -2.709 -2.282 1.00 . A A . 10 LYS NZ 1 1
8 1747 1 1 10 LYS O O 3.452 -2.361 4.954 1.00 . A A . 10 LYS O 1 1
8 1748 1 1 11 SER C C 0.381 -4.950 4.256 1.00 . A A . 11 SER C 1 1
8 1749 1 1 11 SER CA C 0.990 -3.639 4.756 1.00 . A A . 11 SER CA 1 1
8 1750 1 1 11 SER CB C -0.088 -2.705 5.362 1.00 . A A . 11 SER CB 1 1
8 1751 1 1 11 SER H H 1.219 -2.989 2.791 1.00 . A A . 11 SER H 1 1
8 1752 1 1 11 SER HA H 1.711 -3.904 5.551 1.00 . A A . 11 SER HA 1 1
8 1753 1 1 11 SER HB2 H -0.658 -2.217 4.547 1.00 . A A . 11 SER HB2 1 1
8 1754 1 1 11 SER HB3 H -0.840 -3.281 5.932 1.00 . A A . 11 SER HB3 1 1
8 1755 1 1 11 SER HG H 0.896 -2.120 6.940 1.00 . A A . 11 SER HG 1 1
8 1756 1 1 11 SER N N 1.689 -2.971 3.673 1.00 . A A . 11 SER N 1 1
8 1757 1 1 11 SER O O -0.812 -5.190 4.429 1.00 . A A . 11 SER O 1 1
8 1758 1 1 11 SER OG O 0.467 -1.683 6.198 1.00 . A A . 11 SER OG 1 1
8 1759 1 1 12 CYS C C 0.461 -7.963 4.301 1.00 . A A . 12 CYS C 1 1
8 1760 1 1 12 CYS CA C 0.791 -7.047 3.121 1.00 . A A . 12 CYS CA 1 1
8 1761 1 1 12 CYS CB C 1.838 -7.666 2.192 1.00 . A A . 12 CYS CB 1 1
8 1762 1 1 12 CYS H H 2.200 -5.563 3.511 1.00 . A A . 12 CYS H 1 1
8 1763 1 1 12 CYS HA H -0.098 -6.850 2.525 1.00 . A A . 12 CYS HA 1 1
8 1764 1 1 12 CYS HB2 H 2.454 -6.867 1.780 1.00 . A A . 12 CYS HB2 1 1
8 1765 1 1 12 CYS HB3 H 2.497 -8.303 2.782 1.00 . A A . 12 CYS HB3 1 1
8 1766 1 1 12 CYS N N 1.230 -5.765 3.648 1.00 . A A . 12 CYS N 1 1
8 1767 1 1 12 CYS O O -0.067 -7.454 5.398 1.00 . A A . 12 CYS O 1 1
8 1768 1 1 12 CYS SG S 1.152 -8.652 0.811 1.00 . A A . 12 CYS SG 1 1
9 1769 1 1 1 TYR C C -3.531 -6.656 1.135 1.00 . A A . 1 TYR C 1 1
9 1770 1 1 1 TYR CA C -4.756 -7.548 1.359 1.00 . A A . 1 TYR CA 1 1
9 1771 1 1 1 TYR CB C -5.397 -7.860 0.006 1.00 . A A . 1 TYR CB 1 1
9 1772 1 1 1 TYR CD1 C -6.724 -5.758 -0.410 1.00 . A A . 1 TYR CD1 1 1
9 1773 1 1 1 TYR CD2 C -7.900 -7.834 -0.291 1.00 . A A . 1 TYR CD2 1 1
9 1774 1 1 1 TYR CE1 C -7.967 -5.067 -0.643 1.00 . A A . 1 TYR CE1 1 1
9 1775 1 1 1 TYR CE2 C -9.144 -7.145 -0.523 1.00 . A A . 1 TYR CE2 1 1
9 1776 1 1 1 TYR CG C -6.717 -7.125 -0.240 1.00 . A A . 1 TYR CG 1 1
9 1777 1 1 1 TYR CZ C -9.114 -5.795 -0.687 1.00 . A A . 1 TYR CZ 1 1
9 1778 1 1 1 TYR H1 H -5.562 -6.955 3.139 1.00 . A A . 1 TYR H1 1 1
9 1779 1 1 1 TYR H2 H -5.773 -5.859 1.881 1.00 . A A . 1 TYR H2 1 1
9 1780 1 1 1 TYR H3 H -5.532 -5.923 2.403 1.00 . A A . 1 TYR H3 1 1
9 1781 1 1 1 TYR HA H -4.451 -8.435 1.917 1.00 . A A . 1 TYR HA 1 1
9 1782 1 1 1 TYR HB2 H -4.696 -7.600 -0.787 1.00 . A A . 1 TYR HB2 1 1
9 1783 1 1 1 TYR HB3 H -5.573 -8.933 -0.063 1.00 . A A . 1 TYR HB3 1 1
9 1784 1 1 1 TYR HD1 H -5.790 -5.198 -0.370 1.00 . A A . 1 TYR HD1 1 1
9 1785 1 1 1 TYR HD2 H -7.895 -8.916 -0.156 1.00 . A A . 1 TYR HD2 1 1
9 1786 1 1 1 TYR HE1 H -7.987 -3.986 -0.781 1.00 . A A . 1 TYR HE1 1 1
9 1787 1 1 1 TYR HE2 H -10.085 -7.691 -0.567 1.00 . A A . 1 TYR HE2 1 1
9 1788 1 1 1 TYR HH H -11.058 -5.771 -0.778 1.00 . A A . 1 TYR HH 1 1
9 1789 1 1 1 TYR N N -5.769 -6.856 2.134 1.00 . A A . 1 TYR N 1 1
9 1790 1 1 1 TYR O O -3.381 -5.627 1.793 1.00 . A A . 1 TYR O 1 1
9 1791 1 1 1 TYR OH O -10.289 -5.143 -0.906 1.00 . A A . 1 TYR OH 1 1
9 1792 1 1 2 CYS C C -1.895 -4.924 -0.541 1.00 . A A . 2 CYS C 1 1
9 1793 1 1 2 CYS CA C -1.485 -6.334 -0.114 1.00 . A A . 2 CYS CA 1 1
9 1794 1 1 2 CYS CB C -0.651 -7.037 -1.188 1.00 . A A . 2 CYS CB 1 1
9 1795 1 1 2 CYS H H -2.821 -7.919 -0.326 1.00 . A A . 2 CYS H 1 1
9 1796 1 1 2 CYS HA H -0.887 -6.305 0.794 1.00 . A A . 2 CYS HA 1 1
9 1797 1 1 2 CYS HB2 H -1.319 -7.626 -1.817 1.00 . A A . 2 CYS HB2 1 1
9 1798 1 1 2 CYS HB3 H -0.196 -6.281 -1.827 1.00 . A A . 2 CYS HB3 1 1
9 1799 1 1 2 CYS N N -2.690 -7.083 0.204 1.00 . A A . 2 CYS N 1 1
9 1800 1 1 2 CYS O O -2.759 -4.757 -1.401 1.00 . A A . 2 CYS O 1 1
9 1801 1 1 2 CYS SG S 0.665 -8.131 -0.543 1.00 . A A . 2 CYS SG 1 1
9 1802 1 1 3 LYS C C -0.306 -1.702 0.076 1.00 . A A . 3 LYS C 1 1
9 1803 1 1 3 LYS CA C -1.542 -2.552 -0.226 1.00 . A A . 3 LYS CA 1 1
9 1804 1 1 3 LYS CB C -2.801 -2.090 0.510 1.00 . A A . 3 LYS CB 1 1
9 1805 1 1 3 LYS CD C -3.865 -1.734 2.769 1.00 . A A . 3 LYS CD 1 1
9 1806 1 1 3 LYS CE C -4.441 -2.721 3.787 1.00 . A A . 3 LYS CE 1 1
9 1807 1 1 3 LYS CG C -2.686 -2.351 2.013 1.00 . A A . 3 LYS CG 1 1
9 1808 1 1 3 LYS H H -0.553 -4.087 0.777 1.00 . A A . 3 LYS H 1 1
9 1809 1 1 3 LYS HA H -1.752 -2.489 -1.293 1.00 . A A . 3 LYS HA 1 1
9 1810 1 1 3 LYS HB2 H -2.960 -1.025 0.334 1.00 . A A . 3 LYS HB2 1 1
9 1811 1 1 3 LYS HB3 H -3.671 -2.610 0.113 1.00 . A A . 3 LYS HB3 1 1
9 1812 1 1 3 LYS HD2 H -3.538 -0.829 3.281 1.00 . A A . 3 LYS HD2 1 1
9 1813 1 1 3 LYS HD3 H -4.639 -1.439 2.064 1.00 . A A . 3 LYS HD3 1 1
9 1814 1 1 3 LYS HE2 H -5.207 -3.333 3.314 1.00 . A A . 3 LYS HE2 1 1
9 1815 1 1 3 LYS HE3 H -3.656 -3.399 4.128 1.00 . A A . 3 LYS HE3 1 1
9 1816 1 1 3 LYS HG2 H -2.652 -3.425 2.198 1.00 . A A . 3 LYS HG2 1 1
9 1817 1 1 3 LYS HG3 H -1.750 -1.933 2.388 1.00 . A A . 3 LYS HG3 1 1
9 1818 1 1 3 LYS HZ1 H -5.071 -2.585 5.768 1.00 . A A . 3 LYS HZ1 1 1
9 1819 1 1 3 LYS HZ2 H -4.461 -1.188 5.197 1.00 . A A . 3 LYS HZ2 1 1
9 1820 1 1 3 LYS N N -1.255 -3.943 0.080 1.00 . A A . 3 LYS N 1 1
9 1821 1 1 3 LYS NZ N -5.014 -1.998 4.941 1.00 . A A . 3 LYS NZ 1 1
9 1822 1 1 3 LYS O O 0.264 -1.794 1.164 1.00 . A A . 3 LYS O 1 1
9 1823 1 1 4 . C C 0.788 1.408 -0.476 1.00 . A A . 4 ILG C 1 1
9 1824 1 1 4 . CA C 1.232 -0.030 -0.756 1.00 . A A . 4 ILG CA 1 1
9 1825 1 1 4 . CB C 2.143 -0.105 -2.012 1.00 . A A . 4 ILG CB 1 1
9 1826 1 1 4 . CD C 3.759 -1.702 -3.388 1.00 . A A . 4 ILG CD 1 1
9 1827 1 1 4 . CG C 2.477 -1.527 -2.572 1.00 . A A . 4 ILG CG 1 1
9 1828 1 1 4 . H H -0.395 -0.827 -1.783 1.00 . A A . 4 ILG H 1 1
9 1829 1 1 4 . HA H 1.789 -0.389 0.130 1.00 . A A . 4 ILG HA 1 1
9 1830 1 1 4 . HB2 H 1.679 0.489 -2.823 1.00 . A A . 4 ILG HB2 1 1
9 1831 1 1 4 . HB3 H 3.090 0.429 -1.796 1.00 . A A . 4 ILG HB3 1 1
9 1832 1 1 4 . HG2 H 2.529 -2.253 -1.738 1.00 . A A . 4 ILG HG2 1 1
9 1833 1 1 4 . HG3 H 1.645 -1.895 -3.201 1.00 . A A . 4 ILG HG3 1 1
9 1834 1 1 4 . N N 0.072 -0.894 -0.903 1.00 . A A . 4 ILG N 1 1
9 1835 1 1 4 . O O 1.573 2.343 -0.623 1.00 . A A . 4 ILG O 1 1
9 1836 1 1 4 . OE1 O 4.120 -2.783 -3.838 1.00 . A A . 4 ILG OE1 1 1
9 1837 1 1 5 PHE C C -0.630 3.870 -0.842 1.00 . A A . 5 PHE C 1 1
9 1838 1 1 5 PHE CA C -1.026 2.846 0.224 1.00 . A A . 5 PHE CA 1 1
9 1839 1 1 5 PHE CB C -0.448 3.279 1.572 1.00 . A A . 5 PHE CB 1 1
9 1840 1 1 5 PHE CD1 C -0.019 1.058 2.649 1.00 . A A . 5 PHE CD1 1 1
9 1841 1 1 5 PHE CD2 C -1.476 2.557 3.737 1.00 . A A . 5 PHE CD2 1 1
9 1842 1 1 5 PHE CE1 C -0.213 0.113 3.690 1.00 . A A . 5 PHE CE1 1 1
9 1843 1 1 5 PHE CE2 C -1.669 1.612 4.780 1.00 . A A . 5 PHE CE2 1 1
9 1844 1 1 5 PHE CG C -0.655 2.260 2.695 1.00 . A A . 5 PHE CG 1 1
9 1845 1 1 5 PHE CZ C -1.034 0.410 4.734 1.00 . A A . 5 PHE CZ 1 1
9 1846 1 1 5 PHE H H -1.102 0.771 0.040 1.00 . A A . 5 PHE H 1 1
9 1847 1 1 5 PHE HA H -2.110 2.740 0.236 1.00 . A A . 5 PHE HA 1 1
9 1848 1 1 5 PHE HB2 H 0.622 3.463 1.455 1.00 . A A . 5 PHE HB2 1 1
9 1849 1 1 5 PHE HB3 H -0.904 4.225 1.865 1.00 . A A . 5 PHE HB3 1 1
9 1850 1 1 5 PHE HD1 H 0.638 0.821 1.812 1.00 . A A . 5 PHE HD1 1 1
9 1851 1 1 5 PHE HD2 H -1.985 3.520 3.774 1.00 . A A . 5 PHE HD2 1 1
9 1852 1 1 5 PHE HE1 H 0.294 -0.851 3.653 1.00 . A A . 5 PHE HE1 1 1
9 1853 1 1 5 PHE HE2 H -2.326 1.849 5.616 1.00 . A A . 5 PHE HE2 1 1
9 1854 1 1 5 PHE HZ H -1.182 -0.316 5.533 1.00 . A A . 5 PHE HZ 1 1
9 1855 1 1 5 PHE N N -0.469 1.538 -0.077 1.00 . A A . 5 PHE N 1 1
9 1856 1 1 5 PHE O O -0.382 3.510 -1.992 1.00 . A A . 5 PHE O 1 1
9 1857 1 1 6 DTR C C 1.254 6.023 -1.710 1.00 . A A . 6 DTR C 1 1
9 1858 1 1 6 DTR CA C -0.216 6.204 -1.325 1.00 . A A . 6 DTR CA 1 1
9 1859 1 1 6 DTR CB C -1.166 6.103 -2.521 1.00 . A A . 6 DTR CB 1 1
9 1860 1 1 6 DTR CD1 C -3.439 5.798 -1.338 1.00 . A A . 6 DTR CD1 1 1
9 1861 1 1 6 DTR CD2 C -2.989 4.187 -2.789 1.00 . A A . 6 DTR CD2 1 1
9 1862 1 1 6 DTR CE2 C -4.218 3.908 -2.232 1.00 . A A . 6 DTR CE2 1 1
9 1863 1 1 6 DTR CE3 C -2.413 3.346 -3.758 1.00 . A A . 6 DTR CE3 1 1
9 1864 1 1 6 DTR CG C -2.493 5.411 -2.204 1.00 . A A . 6 DTR CG 1 1
9 1865 1 1 6 DTR CH2 C -4.427 1.931 -3.541 1.00 . A A . 6 DTR CH2 1 1
9 1866 1 1 6 DTR CZ2 C -4.978 2.783 -2.579 1.00 . A A . 6 DTR CZ2 1 1
9 1867 1 1 6 DTR CZ3 C -3.187 2.229 -4.094 1.00 . A A . 6 DTR CZ3 1 1
9 1868 1 1 6 DTR H H -0.782 5.410 0.515 1.00 . A A . 6 DTR H 1 1
9 1869 1 1 6 DTR HA H -0.350 7.130 -0.767 1.00 . A A . 6 DTR HA 1 1
9 1870 1 1 6 DTR HB2 H -1.370 7.106 -2.895 1.00 . A A . 6 DTR HB2 1 1
9 1871 1 1 6 DTR HB3 H -0.668 5.557 -3.322 1.00 . A A . 6 DTR HB3 1 1
9 1872 1 1 6 DTR HD1 H -3.378 6.696 -0.722 1.00 . A A . 6 DTR HD1 1 1
9 1873 1 1 6 DTR HE1 H -5.397 4.999 -0.706 1.00 . A A . 6 DTR HE1 1 1
9 1874 1 1 6 DTR HE3 H -1.442 3.549 -4.212 1.00 . A A . 6 DTR HE3 1 1
9 1875 1 1 6 DTR HH2 H -4.967 1.039 -3.856 1.00 . A A . 6 DTR HH2 1 1
9 1876 1 1 6 DTR HZ2 H -5.948 2.584 -2.123 1.00 . A A . 6 DTR HZ2 1 1
9 1877 1 1 6 DTR HZ3 H -2.786 1.542 -4.840 1.00 . A A . 6 DTR HZ3 1 1
9 1878 1 1 6 DTR N N -0.578 5.125 -0.421 1.00 . A A . 6 DTR N 1 1
9 1879 1 1 6 DTR NE1 N -4.503 4.918 -1.320 1.00 . A A . 6 DTR NE1 1 1
9 1880 1 1 6 DTR O O 2.106 6.811 -1.306 1.00 . A A . 6 DTR O 1 1
9 1881 1 1 7 IAM C C 3.861 4.881 -1.795 1.00 . A A . 7 IAM C 1 1
9 1882 1 1 7 IAM CA C 2.856 4.684 -2.931 1.00 . A A . 7 IAM CA 1 1
9 1883 1 1 7 IAM CB C 3.179 5.667 -4.059 1.00 . A A . 7 IAM CB 1 1
9 1884 1 1 7 IAM CD1 C 1.437 4.748 -5.605 1.00 . A A . 7 IAM CD1 1 1
9 1885 1 1 7 IAM CD2 C 3.555 5.261 -6.501 1.00 . A A . 7 IAM CD2 1 1
9 1886 1 1 7 IAM CE1 C 0.997 4.323 -6.886 1.00 . A A . 7 IAM CE1 1 1
9 1887 1 1 7 IAM CE2 C 3.115 4.835 -7.783 1.00 . A A . 7 IAM CE2 1 1
9 1888 1 1 7 IAM CG C 2.707 5.209 -5.439 1.00 . A A . 7 IAM CG 1 1
9 1889 1 1 7 IAM CI C 0.148 6.167 -9.381 1.00 . A A . 7 IAM CI 1 1
9 1890 1 1 7 IAM CK1 C -1.014 6.387 -8.395 1.00 . A A . 7 IAM CK1 1 1
9 1891 1 1 7 IAM CK2 C -0.079 7.018 -10.642 1.00 . A A . 7 IAM CK2 1 1
9 1892 1 1 7 IAM CT C 1.370 3.914 -9.337 1.00 . A A . 7 IAM CT 1 1
9 1893 1 1 7 IAM CZ C 1.846 4.374 -7.948 1.00 . A A . 7 IAM CZ 1 1
9 1894 1 1 7 IAM H H 0.805 4.343 -2.812 1.00 . A A . 7 IAM H 1 1
9 1895 1 1 7 IAM HA H 2.871 3.642 -3.252 1.00 . A A . 7 IAM HA 1 1
9 1896 1 1 7 IAM HB H 2.721 6.629 -3.831 1.00 . A A . 7 IAM HB 1 1
9 1897 1 1 7 IAM HB1 H 4.256 5.827 -4.089 1.00 . A A . 7 IAM HB1 1 1
9 1898 1 1 7 IAM HD1 H 0.758 4.707 -4.754 1.00 . A A . 7 IAM HD1 1 1
9 1899 1 1 7 IAM HD2 H 4.572 5.629 -6.367 1.00 . A A . 7 IAM HD2 1 1
9 1900 1 1 7 IAM HE1 H -0.020 3.956 -7.021 1.00 . A A . 7 IAM HE1 1 1
9 1901 1 1 7 IAM HE2 H 3.795 4.878 -8.634 1.00 . A A . 7 IAM HE2 1 1
9 1902 1 1 7 IAM HH H -0.545 4.315 -10.310 1.00 . A A . 7 IAM HH 1 1
9 1903 1 1 7 IAM HI H 1.068 6.455 -8.916 1.00 . A A . 7 IAM HI 1 1
9 1904 1 1 7 IAM HK11 H -1.935 6.098 -8.860 1.00 . A A . 7 IAM HK11 1 1
9 1905 1 1 7 IAM HK12 H -0.856 5.793 -7.519 1.00 . A A . 7 IAM HK12 1 1
9 1906 1 1 7 IAM HK13 H -1.062 7.421 -8.123 1.00 . A A . 7 IAM HK13 1 1
9 1907 1 1 7 IAM HK21 H 0.730 6.866 -11.327 1.00 . A A . 7 IAM HK21 1 1
9 1908 1 1 7 IAM HK22 H -0.998 6.730 -11.108 1.00 . A A . 7 IAM HK22 1 1
9 1909 1 1 7 IAM HK23 H -0.124 8.053 -10.373 1.00 . A A . 7 IAM HK23 1 1
9 1910 1 1 7 IAM HT1 H 1.080 2.886 -9.292 1.00 . A A . 7 IAM HT1 1 1
9 1911 1 1 7 IAM HT2 H 2.165 4.032 -10.046 1.00 . A A . 7 IAM HT2 1 1
9 1912 1 1 7 IAM N N 1.504 4.980 -2.487 1.00 . A A . 7 IAM N 1 1
9 1913 1 1 7 IAM NH N 0.214 4.737 -9.756 1.00 . A A . 7 IAM NH 1 1
9 1914 1 1 7 IAM O O 4.882 5.543 -1.972 1.00 . A A . 7 IAM O 1 1
9 1915 1 1 8 THR C C 4.653 3.009 1.110 1.00 . A A . 8 THR C 1 1
9 1916 1 1 8 THR CA C 4.400 4.394 0.513 1.00 . A A . 8 THR CA 1 1
9 1917 1 1 8 THR CB C 3.752 5.371 1.495 1.00 . A A . 8 THR CB 1 1
9 1918 1 1 8 THR CG2 C 2.479 4.807 2.129 1.00 . A A . 8 THR CG2 1 1
9 1919 1 1 8 THR H H 2.705 3.755 -0.518 1.00 . A A . 8 THR H 1 1
9 1920 1 1 8 THR HA H 5.367 4.786 0.191 1.00 . A A . 8 THR HA 1 1
9 1921 1 1 8 THR HB H 3.557 6.332 1.018 1.00 . A A . 8 THR HB 1 1
9 1922 1 1 8 THR HG1 H 4.849 4.524 2.938 1.00 . A A . 8 THR HG1 1 1
9 1923 1 1 8 THR HG21 H 2.343 5.242 3.119 1.00 . A A . 8 THR HG21 1 1
9 1924 1 1 8 THR HG22 H 1.622 5.054 1.504 1.00 . A A . 8 THR HG22 1 1
9 1925 1 1 8 THR HG23 H 2.566 3.724 2.217 1.00 . A A . 8 THR HG23 1 1
9 1926 1 1 8 THR N N 3.539 4.292 -0.653 1.00 . A A . 8 THR N 1 1
9 1927 1 1 8 THR O O 4.837 2.036 0.378 1.00 . A A . 8 THR O 1 1
9 1928 1 1 8 THR OG1 O 4.678 5.440 2.577 1.00 . A A . 8 THR OG1 1 1
9 1929 1 1 9 PHE C C 3.867 0.650 2.714 1.00 . A A . 9 PHE C 1 1
9 1930 1 1 9 PHE CA C 4.883 1.711 3.138 1.00 . A A . 9 PHE CA 1 1
9 1931 1 1 9 PHE CB C 4.708 2.001 4.630 1.00 . A A . 9 PHE CB 1 1
9 1932 1 1 9 PHE CD1 C 2.281 2.502 4.987 1.00 . A A . 9 PHE CD1 1 1
9 1933 1 1 9 PHE CD2 C 3.821 4.274 5.191 1.00 . A A . 9 PHE CD2 1 1
9 1934 1 1 9 PHE CE1 C 1.215 3.394 5.282 1.00 . A A . 9 PHE CE1 1 1
9 1935 1 1 9 PHE CE2 C 2.756 5.166 5.486 1.00 . A A . 9 PHE CE2 1 1
9 1936 1 1 9 PHE CG C 3.561 2.962 4.947 1.00 . A A . 9 PHE CG 1 1
9 1937 1 1 9 PHE CZ C 1.476 4.707 5.526 1.00 . A A . 9 PHE CZ 1 1
9 1938 1 1 9 PHE H H 4.505 3.757 3.022 1.00 . A A . 9 PHE H 1 1
9 1939 1 1 9 PHE HA H 5.887 1.373 2.881 1.00 . A A . 9 PHE HA 1 1
9 1940 1 1 9 PHE HB2 H 4.537 1.059 5.155 1.00 . A A . 9 PHE HB2 1 1
9 1941 1 1 9 PHE HB3 H 5.636 2.419 5.021 1.00 . A A . 9 PHE HB3 1 1
9 1942 1 1 9 PHE HD1 H 2.072 1.450 4.793 1.00 . A A . 9 PHE HD1 1 1
9 1943 1 1 9 PHE HD2 H 4.847 4.641 5.158 1.00 . A A . 9 PHE HD2 1 1
9 1944 1 1 9 PHE HE1 H 0.190 3.027 5.313 1.00 . A A . 9 PHE HE1 1 1
9 1945 1 1 9 PHE HE2 H 2.964 6.218 5.681 1.00 . A A . 9 PHE HE2 1 1
9 1946 1 1 9 PHE HZ H 0.659 5.392 5.753 1.00 . A A . 9 PHE HZ 1 1
9 1947 1 1 9 PHE N N 4.656 2.961 2.433 1.00 . A A . 9 PHE N 1 1
9 1948 1 1 9 PHE O O 2.753 0.979 2.307 1.00 . A A . 9 PHE O 1 1
9 1949 1 1 10 LYS C C 2.846 -2.344 3.723 1.00 . A A . 10 LYS C 1 1
9 1950 1 1 10 LYS CA C 3.427 -1.715 2.455 1.00 . A A . 10 LYS CA 1 1
9 1951 1 1 10 LYS CB C 4.183 -2.704 1.567 1.00 . A A . 10 LYS CB 1 1
9 1952 1 1 10 LYS CD C 5.620 -1.740 -0.266 1.00 . A A . 10 LYS CD 1 1
9 1953 1 1 10 LYS CE C 6.009 -2.236 -1.661 1.00 . A A . 10 LYS CE 1 1
9 1954 1 1 10 LYS CG C 4.219 -2.224 0.115 1.00 . A A . 10 LYS CG 1 1
9 1955 1 1 10 LYS H H 5.193 -0.861 3.155 1.00 . A A . 10 LYS H 1 1
9 1956 1 1 10 LYS HA H 2.608 -1.310 1.862 1.00 . A A . 10 LYS HA 1 1
9 1957 1 1 10 LYS HB2 H 5.200 -2.829 1.939 1.00 . A A . 10 LYS HB2 1 1
9 1958 1 1 10 LYS HB3 H 3.703 -3.683 1.619 1.00 . A A . 10 LYS HB3 1 1
9 1959 1 1 10 LYS HD2 H 5.651 -0.649 -0.242 1.00 . A A . 10 LYS HD2 1 1
9 1960 1 1 10 LYS HD3 H 6.344 -2.096 0.465 1.00 . A A . 10 LYS HD3 1 1
9 1961 1 1 10 LYS HE2 H 7.095 -2.277 -1.748 1.00 . A A . 10 LYS HE2 1 1
9 1962 1 1 10 LYS HE3 H 5.637 -3.250 -1.809 1.00 . A A . 10 LYS HE3 1 1
9 1963 1 1 10 LYS HG2 H 3.916 -3.033 -0.547 1.00 . A A . 10 LYS HG2 1 1
9 1964 1 1 10 LYS HG3 H 3.501 -1.415 -0.021 1.00 . A A . 10 LYS HG3 1 1
9 1965 1 1 10 LYS HZ3 H 4.630 -1.784 -3.131 1.00 . A A . 10 LYS HZ3 1 1
9 1966 1 1 10 LYS N N 4.286 -0.602 2.823 1.00 . A A . 10 LYS N 1 1
9 1967 1 1 10 LYS NZ N 5.455 -1.341 -2.702 1.00 . A A . 10 LYS NZ 1 1
9 1968 1 1 10 LYS O O 3.500 -2.372 4.764 1.00 . A A . 10 LYS O 1 1
9 1969 1 1 11 SER C C 0.305 -4.779 4.272 1.00 . A A . 11 SER C 1 1
9 1970 1 1 11 SER CA C 0.944 -3.462 4.717 1.00 . A A . 11 SER CA 1 1
9 1971 1 1 11 SER CB C -0.104 -2.496 5.324 1.00 . A A . 11 SER CB 1 1
9 1972 1 1 11 SER H H 1.094 -2.808 2.744 1.00 . A A . 11 SER H 1 1
9 1973 1 1 11 SER HA H 1.683 -3.712 5.500 1.00 . A A . 11 SER HA 1 1
9 1974 1 1 11 SER HB2 H 0.391 -1.554 5.634 1.00 . A A . 11 SER HB2 1 1
9 1975 1 1 11 SER HB3 H -0.851 -2.188 4.565 1.00 . A A . 11 SER HB3 1 1
9 1976 1 1 11 SER HG H -1.263 -3.821 6.160 1.00 . A A . 11 SER HG 1 1
9 1977 1 1 11 SER N N 1.620 -2.834 3.594 1.00 . A A . 11 SER N 1 1
9 1978 1 1 11 SER O O -0.893 -4.985 4.458 1.00 . A A . 11 SER O 1 1
9 1979 1 1 11 SER OG O -0.777 -3.047 6.460 1.00 . A A . 11 SER OG 1 1
9 1980 1 1 12 CYS C C 0.340 -7.795 4.436 1.00 . A A . 12 CYS C 1 1
9 1981 1 1 12 CYS CA C 0.663 -6.926 3.218 1.00 . A A . 12 CYS CA 1 1
9 1982 1 1 12 CYS CB C 1.685 -7.595 2.295 1.00 . A A . 12 CYS CB 1 1
9 1983 1 1 12 CYS H H 2.106 -5.458 3.543 1.00 . A A . 12 CYS H 1 1
9 1984 1 1 12 CYS HA H -0.233 -6.737 2.629 1.00 . A A . 12 CYS HA 1 1
9 1985 1 1 12 CYS HB2 H 2.670 -7.518 2.752 1.00 . A A . 12 CYS HB2 1 1
9 1986 1 1 12 CYS HB3 H 1.448 -8.657 2.223 1.00 . A A . 12 CYS HB3 1 1
9 1987 1 1 12 CYS N N 1.133 -5.635 3.691 1.00 . A A . 12 CYS N 1 1
9 1988 1 1 12 CYS O O -0.449 -7.326 5.384 1.00 . A A . 12 CYS O 1 1
9 1989 1 1 12 CYS SG S 1.764 -6.895 0.606 1.00 . A A . 12 CYS SG 1 1
10 1990 1 1 1 TYR C C -2.588 -7.457 -0.289 1.00 . A A . 1 TYR C 1 1
10 1991 1 1 1 TYR CA C -3.888 -8.239 -0.482 1.00 . A A . 1 TYR CA 1 1
10 1992 1 1 1 TYR CB C -5.074 -7.301 -0.242 1.00 . A A . 1 TYR CB 1 1
10 1993 1 1 1 TYR CD1 C -6.688 -8.585 1.207 1.00 . A A . 1 TYR CD1 1 1
10 1994 1 1 1 TYR CD2 C -5.559 -6.707 2.158 1.00 . A A . 1 TYR CD2 1 1
10 1995 1 1 1 TYR CE1 C -7.369 -8.810 2.455 1.00 . A A . 1 TYR CE1 1 1
10 1996 1 1 1 TYR CE2 C -6.240 -6.930 3.408 1.00 . A A . 1 TYR CE2 1 1
10 1997 1 1 1 TYR CG C -5.798 -7.539 1.085 1.00 . A A . 1 TYR CG 1 1
10 1998 1 1 1 TYR CZ C -7.111 -7.972 3.495 1.00 . A A . 1 TYR CZ 1 1
10 1999 1 1 1 TYR H1 H -4.272 -8.895 1.413 1.00 . A A . 1 TYR H1 1 1
10 2000 1 1 1 TYR H2 H -4.736 -9.966 0.203 1.00 . A A . 1 TYR H2 1 1
10 2001 1 1 1 TYR H3 H -3.249 -9.366 1.148 1.00 . A A . 1 TYR H3 1 1
10 2002 1 1 1 TYR HA H -3.885 -8.697 -1.471 1.00 . A A . 1 TYR HA 1 1
10 2003 1 1 1 TYR HB2 H -4.721 -6.270 -0.272 1.00 . A A . 1 TYR HB2 1 1
10 2004 1 1 1 TYR HB3 H -5.787 -7.417 -1.059 1.00 . A A . 1 TYR HB3 1 1
10 2005 1 1 1 TYR HD1 H -6.874 -9.244 0.358 1.00 . A A . 1 TYR HD1 1 1
10 2006 1 1 1 TYR HD2 H -4.856 -5.880 2.062 1.00 . A A . 1 TYR HD2 1 1
10 2007 1 1 1 TYR HE1 H -8.076 -9.633 2.565 1.00 . A A . 1 TYR HE1 1 1
10 2008 1 1 1 TYR HE2 H -6.063 -6.280 4.264 1.00 . A A . 1 TYR HE2 1 1
10 2009 1 1 1 TYR HH H -8.252 -9.051 4.643 1.00 . A A . 1 TYR HH 1 1
10 2010 1 1 1 TYR N N -4.010 -9.300 0.503 1.00 . A A . 1 TYR N 1 1
10 2011 1 1 1 TYR O O -1.692 -7.904 0.426 1.00 . A A . 1 TYR O 1 1
10 2012 1 1 1 TYR OH O -7.755 -8.183 4.675 1.00 . A A . 1 TYR OH 1 1
10 2013 1 1 2 CYS C C -1.803 -3.994 -0.914 1.00 . A A . 2 CYS C 1 1
10 2014 1 1 2 CYS CA C -1.350 -5.453 -0.842 1.00 . A A . 2 CYS CA 1 1
10 2015 1 1 2 CYS CB C -0.325 -5.789 -1.928 1.00 . A A . 2 CYS CB 1 1
10 2016 1 1 2 CYS H H -3.259 -5.946 -1.514 1.00 . A A . 2 CYS H 1 1
10 2017 1 1 2 CYS HA H -0.886 -5.667 0.120 1.00 . A A . 2 CYS HA 1 1
10 2018 1 1 2 CYS HB2 H -0.828 -6.331 -2.728 1.00 . A A . 2 CYS HB2 1 1
10 2019 1 1 2 CYS HB3 H 0.045 -4.857 -2.358 1.00 . A A . 2 CYS HB3 1 1
10 2020 1 1 2 CYS N N -2.526 -6.303 -0.936 1.00 . A A . 2 CYS N 1 1
10 2021 1 1 2 CYS O O -2.431 -3.583 -1.889 1.00 . A A . 2 CYS O 1 1
10 2022 1 1 2 CYS SG S 1.105 -6.778 -1.356 1.00 . A A . 2 CYS SG 1 1
10 2023 1 1 3 LYS C C -0.571 -1.006 0.393 1.00 . A A . 3 LYS C 1 1
10 2024 1 1 3 LYS CA C -1.833 -1.848 0.200 1.00 . A A . 3 LYS CA 1 1
10 2025 1 1 3 LYS CB C -2.895 -1.622 1.278 1.00 . A A . 3 LYS CB 1 1
10 2026 1 1 3 LYS CD C -5.389 -1.989 1.321 1.00 . A A . 3 LYS CD 1 1
10 2027 1 1 3 LYS CE C -5.735 -1.783 2.798 1.00 . A A . 3 LYS CE 1 1
10 2028 1 1 3 LYS CG C -4.020 -2.652 1.166 1.00 . A A . 3 LYS CG 1 1
10 2029 1 1 3 LYS H H -0.959 -3.595 0.920 1.00 . A A . 3 LYS H 1 1
10 2030 1 1 3 LYS HA H -2.285 -1.581 -0.756 1.00 . A A . 3 LYS HA 1 1
10 2031 1 1 3 LYS HB2 H -2.435 -1.685 2.264 1.00 . A A . 3 LYS HB2 1 1
10 2032 1 1 3 LYS HB3 H -3.307 -0.617 1.184 1.00 . A A . 3 LYS HB3 1 1
10 2033 1 1 3 LYS HD2 H -5.392 -1.027 0.807 1.00 . A A . 3 LYS HD2 1 1
10 2034 1 1 3 LYS HD3 H -6.152 -2.604 0.847 1.00 . A A . 3 LYS HD3 1 1
10 2035 1 1 3 LYS HE2 H -6.216 -2.678 3.192 1.00 . A A . 3 LYS HE2 1 1
10 2036 1 1 3 LYS HE3 H -4.822 -1.630 3.373 1.00 . A A . 3 LYS HE3 1 1
10 2037 1 1 3 LYS HG2 H -3.962 -3.156 0.202 1.00 . A A . 3 LYS HG2 1 1
10 2038 1 1 3 LYS HG3 H -3.894 -3.417 1.933 1.00 . A A . 3 LYS HG3 1 1
10 2039 1 1 3 LYS HZ1 H -6.593 -0.238 3.903 1.00 . A A . 3 LYS HZ1 1 1
10 2040 1 1 3 LYS HZ2 H -6.393 0.139 2.331 1.00 . A A . 3 LYS HZ2 1 1
10 2041 1 1 3 LYS N N -1.469 -3.253 0.131 1.00 . A A . 3 LYS N 1 1
10 2042 1 1 3 LYS NZ N -6.631 -0.619 2.962 1.00 . A A . 3 LYS NZ 1 1
10 2043 1 1 3 LYS O O -0.087 -0.854 1.513 1.00 . A A . 3 LYS O 1 1
10 2044 1 1 4 . C C 0.750 1.820 -0.530 1.00 . A A . 4 ILG C 1 1
10 2045 1 1 4 . CA C 1.125 0.343 -0.685 1.00 . A A . 4 ILG CA 1 1
10 2046 1 1 4 . CB C 1.989 0.110 -1.955 1.00 . A A . 4 ILG CB 1 1
10 2047 1 1 4 . CD C 3.547 -1.732 -3.069 1.00 . A A . 4 ILG CD 1 1
10 2048 1 1 4 . CG C 2.216 -1.371 -2.406 1.00 . A A . 4 ILG CG 1 1
10 2049 1 1 4 . H H -0.474 -0.608 -1.626 1.00 . A A . 4 ILG H 1 1
10 2050 1 1 4 . HA H 1.696 0.044 0.214 1.00 . A A . 4 ILG HA 1 1
10 2051 1 1 4 . HB2 H 1.538 0.667 -2.799 1.00 . A A . 4 ILG HB2 1 1
10 2052 1 1 4 . HB3 H 2.974 0.595 -1.807 1.00 . A A . 4 ILG HB3 1 1
10 2053 1 1 4 . HG2 H 2.099 -2.046 -1.538 1.00 . A A . 4 ILG HG2 1 1
10 2054 1 1 4 . HG3 H 1.416 -1.683 -3.104 1.00 . A A . 4 ILG HG3 1 1
10 2055 1 1 4 . N N -0.074 -0.480 -0.717 1.00 . A A . 4 ILG N 1 1
10 2056 1 1 4 . O O 1.577 2.699 -0.759 1.00 . A A . 4 ILG O 1 1
10 2057 1 1 4 . OE1 O 3.826 -2.869 -3.426 1.00 . A A . 4 ILG OE1 1 1
10 2058 1 1 5 PHE C C -0.414 4.342 -1.012 1.00 . A A . 5 PHE C 1 1
10 2059 1 1 5 PHE CA C -0.993 3.396 0.044 1.00 . A A . 5 PHE CA 1 1
10 2060 1 1 5 PHE CB C -0.529 3.853 1.428 1.00 . A A . 5 PHE CB 1 1
10 2061 1 1 5 PHE CD1 C -0.118 1.671 2.588 1.00 . A A . 5 PHE CD1 1 1
10 2062 1 1 5 PHE CD2 C -1.747 3.116 3.489 1.00 . A A . 5 PHE CD2 1 1
10 2063 1 1 5 PHE CE1 C -0.378 0.733 3.621 1.00 . A A . 5 PHE CE1 1 1
10 2064 1 1 5 PHE CE2 C -2.007 2.179 4.523 1.00 . A A . 5 PHE CE2 1 1
10 2065 1 1 5 PHE CG C -0.808 2.842 2.543 1.00 . A A . 5 PHE CG 1 1
10 2066 1 1 5 PHE CZ C -1.316 1.007 4.568 1.00 . A A . 5 PHE CZ 1 1
10 2067 1 1 5 PHE H H -1.165 1.321 0.040 1.00 . A A . 5 PHE H 1 1
10 2068 1 1 5 PHE HA H -2.077 3.362 -0.056 1.00 . A A . 5 PHE HA 1 1
10 2069 1 1 5 PHE HB2 H 0.542 4.054 1.393 1.00 . A A . 5 PHE HB2 1 1
10 2070 1 1 5 PHE HB3 H -1.022 4.794 1.673 1.00 . A A . 5 PHE HB3 1 1
10 2071 1 1 5 PHE HD1 H 0.634 1.452 1.830 1.00 . A A . 5 PHE HD1 1 1
10 2072 1 1 5 PHE HD2 H -2.300 4.055 3.452 1.00 . A A . 5 PHE HD2 1 1
10 2073 1 1 5 PHE HE1 H 0.174 -0.206 3.658 1.00 . A A . 5 PHE HE1 1 1
10 2074 1 1 5 PHE HE2 H -2.758 2.397 5.281 1.00 . A A . 5 PHE HE2 1 1
10 2075 1 1 5 PHE HZ H -1.515 0.288 5.362 1.00 . A A . 5 PHE HZ 1 1
10 2076 1 1 5 PHE N N -0.498 2.042 -0.144 1.00 . A A . 5 PHE N 1 1
10 2077 1 1 5 PHE O O 0.007 3.902 -2.080 1.00 . A A . 5 PHE O 1 1
10 2078 1 1 6 DTR C C 1.575 6.312 -1.856 1.00 . A A . 6 DTR C 1 1
10 2079 1 1 6 DTR CA C 0.105 6.633 -1.581 1.00 . A A . 6 DTR CA 1 1
10 2080 1 1 6 DTR CB C -0.767 6.576 -2.837 1.00 . A A . 6 DTR CB 1 1
10 2081 1 1 6 DTR CD1 C -2.506 8.207 -1.849 1.00 . A A . 6 DTR CD1 1 1
10 2082 1 1 6 DTR CD2 C -3.362 6.825 -3.355 1.00 . A A . 6 DTR CD2 1 1
10 2083 1 1 6 DTR CE2 C -4.385 7.635 -2.910 1.00 . A A . 6 DTR CE2 1 1
10 2084 1 1 6 DTR CE3 C -3.580 5.830 -4.323 1.00 . A A . 6 DTR CE3 1 1
10 2085 1 1 6 DTR CG C -2.152 7.203 -2.663 1.00 . A A . 6 DTR CG 1 1
10 2086 1 1 6 DTR CH2 C -5.945 6.551 -4.344 1.00 . A A . 6 DTR CH2 1 1
10 2087 1 1 6 DTR CZ2 C -5.702 7.534 -3.379 1.00 . A A . 6 DTR CZ2 1 1
10 2088 1 1 6 DTR CZ3 C -4.901 5.742 -4.781 1.00 . A A . 6 DTR CZ3 1 1
10 2089 1 1 6 DTR H H -0.759 5.972 0.195 1.00 . A A . 6 DTR H 1 1
10 2090 1 1 6 DTR HA H 0.019 7.587 -1.060 1.00 . A A . 6 DTR HA 1 1
10 2091 1 1 6 DTR HB2 H -0.248 7.084 -3.650 1.00 . A A . 6 DTR HB2 1 1
10 2092 1 1 6 DTR HB3 H -0.888 5.535 -3.137 1.00 . A A . 6 DTR HB3 1 1
10 2093 1 1 6 DTR HD1 H -1.820 8.727 -1.181 1.00 . A A . 6 DTR HD1 1 1
10 2094 1 1 6 DTR HE1 H -4.391 9.275 -1.418 1.00 . A A . 6 DTR HE1 1 1
10 2095 1 1 6 DTR HE3 H -2.786 5.180 -4.689 1.00 . A A . 6 DTR HE3 1 1
10 2096 1 1 6 DTR HH2 H -6.947 6.419 -4.751 1.00 . A A . 6 DTR HH2 1 1
10 2097 1 1 6 DTR HZ2 H -6.493 8.186 -3.011 1.00 . A A . 6 DTR HZ2 1 1
10 2098 1 1 6 DTR HZ3 H -5.127 4.986 -5.534 1.00 . A A . 6 DTR HZ3 1 1
10 2099 1 1 6 DTR N N -0.414 5.623 -0.675 1.00 . A A . 6 DTR N 1 1
10 2100 1 1 6 DTR NE1 N -3.850 8.503 -1.965 1.00 . A A . 6 DTR NE1 1 1
10 2101 1 1 6 DTR O O 2.467 6.911 -1.258 1.00 . A A . 6 DTR O 1 1
10 2102 1 1 7 IAM C C 4.084 5.109 -1.942 1.00 . A A . 7 IAM C 1 1
10 2103 1 1 7 IAM CA C 3.127 4.960 -3.126 1.00 . A A . 7 IAM CA 1 1
10 2104 1 1 7 IAM CB C 3.586 5.885 -4.256 1.00 . A A . 7 IAM CB 1 1
10 2105 1 1 7 IAM CD1 C 2.001 6.012 -6.190 1.00 . A A . 7 IAM CD1 1 1
10 2106 1 1 7 IAM CD2 C 3.805 4.505 -6.334 1.00 . A A . 7 IAM CD2 1 1
10 2107 1 1 7 IAM CE1 C 1.561 5.610 -7.481 1.00 . A A . 7 IAM CE1 1 1
10 2108 1 1 7 IAM CE2 C 3.366 4.103 -7.624 1.00 . A A . 7 IAM CE2 1 1
10 2109 1 1 7 IAM CG C 3.114 5.450 -5.644 1.00 . A A . 7 IAM CG 1 1
10 2110 1 1 7 IAM CI C 0.632 2.079 -8.772 1.00 . A A . 7 IAM CI 1 1
10 2111 1 1 7 IAM CK1 C -0.754 2.680 -9.065 1.00 . A A . 7 IAM CK1 1 1
10 2112 1 1 7 IAM CK2 C 0.974 2.276 -7.285 1.00 . A A . 7 IAM CK2 1 1
10 2113 1 1 7 IAM CT C 1.778 4.229 -9.566 1.00 . A A . 7 IAM CT 1 1
10 2114 1 1 7 IAM CZ C 2.253 4.662 -8.168 1.00 . A A . 7 IAM CZ 1 1
10 2115 1 1 7 IAM H H 1.049 4.887 -3.245 1.00 . A A . 7 IAM H 1 1
10 2116 1 1 7 IAM HA H 3.079 3.912 -3.421 1.00 . A A . 7 IAM HA 1 1
10 2117 1 1 7 IAM HB H 3.221 6.891 -4.057 1.00 . A A . 7 IAM HB 1 1
10 2118 1 1 7 IAM HB1 H 4.674 5.932 -4.254 1.00 . A A . 7 IAM HB1 1 1
10 2119 1 1 7 IAM HD1 H 1.446 6.769 -5.637 1.00 . A A . 7 IAM HD1 1 1
10 2120 1 1 7 IAM HD2 H 4.696 4.055 -5.896 1.00 . A A . 7 IAM HD2 1 1
10 2121 1 1 7 IAM HE1 H 0.671 6.060 -7.917 1.00 . A A . 7 IAM HE1 1 1
10 2122 1 1 7 IAM HE2 H 3.922 3.345 -8.177 1.00 . A A . 7 IAM HE2 1 1
10 2123 1 1 7 IAM HH H 2.270 2.201 -10.215 1.00 . A A . 7 IAM HH 1 1
10 2124 1 1 7 IAM HI H 0.623 1.034 -9.001 1.00 . A A . 7 IAM HI 1 1
10 2125 1 1 7 IAM HK11 H -0.746 3.728 -8.838 1.00 . A A . 7 IAM HK11 1 1
10 2126 1 1 7 IAM HK12 H -0.992 2.544 -10.099 1.00 . A A . 7 IAM HK12 1 1
10 2127 1 1 7 IAM HK13 H -1.491 2.190 -8.463 1.00 . A A . 7 IAM HK13 1 1
10 2128 1 1 7 IAM HK21 H 1.939 1.858 -7.081 1.00 . A A . 7 IAM HK21 1 1
10 2129 1 1 7 IAM HK22 H 0.985 3.321 -7.055 1.00 . A A . 7 IAM HK22 1 1
10 2130 1 1 7 IAM HK23 H 0.240 1.786 -6.680 1.00 . A A . 7 IAM HK23 1 1
10 2131 1 1 7 IAM HT1 H 2.491 4.545 -10.299 1.00 . A A . 7 IAM HT1 1 1
10 2132 1 1 7 IAM HT2 H 0.827 4.675 -9.775 1.00 . A A . 7 IAM HT2 1 1
10 2133 1 1 7 IAM N N 1.781 5.369 -2.764 1.00 . A A . 7 IAM N 1 1
10 2134 1 1 7 IAM NH N 1.651 2.756 -9.605 1.00 . A A . 7 IAM NH 1 1
10 2135 1 1 7 IAM O O 5.133 5.741 -2.062 1.00 . A A . 7 IAM O 1 1
10 2136 1 1 8 THR C C 4.527 3.213 1.071 1.00 . A A . 8 THR C 1 1
10 2137 1 1 8 THR CA C 4.496 4.578 0.383 1.00 . A A . 8 THR CA 1 1
10 2138 1 1 8 THR CB C 3.939 5.693 1.272 1.00 . A A . 8 THR CB 1 1
10 2139 1 1 8 THR CG2 C 2.607 5.315 1.919 1.00 . A A . 8 THR CG2 1 1
10 2140 1 1 8 THR H H 2.832 4.007 -0.734 1.00 . A A . 8 THR H 1 1
10 2141 1 1 8 THR HA H 5.521 4.817 0.098 1.00 . A A . 8 THR HA 1 1
10 2142 1 1 8 THR HB H 3.852 6.626 0.715 1.00 . A A . 8 THR HB 1 1
10 2143 1 1 8 THR HG1 H 4.921 4.857 2.801 1.00 . A A . 8 THR HG1 1 1
10 2144 1 1 8 THR HG21 H 2.502 5.841 2.868 1.00 . A A . 8 THR HG21 1 1
10 2145 1 1 8 THR HG22 H 1.787 5.598 1.256 1.00 . A A . 8 THR HG22 1 1
10 2146 1 1 8 THR HG23 H 2.577 4.240 2.093 1.00 . A A . 8 THR HG23 1 1
10 2147 1 1 8 THR N N 3.687 4.518 -0.823 1.00 . A A . 8 THR N 1 1
10 2148 1 1 8 THR O O 4.640 2.182 0.409 1.00 . A A . 8 THR O 1 1
10 2149 1 1 8 THR OG1 O 4.852 5.754 2.364 1.00 . A A . 8 THR OG1 1 1
10 2150 1 1 9 PHE C C 3.561 0.951 2.537 1.00 . A A . 9 PHE C 1 1
10 2151 1 1 9 PHE CA C 4.440 2.027 3.177 1.00 . A A . 9 PHE CA 1 1
10 2152 1 1 9 PHE CB C 3.877 2.375 4.556 1.00 . A A . 9 PHE CB 1 1
10 2153 1 1 9 PHE CD1 C 4.709 0.416 5.877 1.00 . A A . 9 PHE CD1 1 1
10 2154 1 1 9 PHE CD2 C 2.388 0.829 5.849 1.00 . A A . 9 PHE CD2 1 1
10 2155 1 1 9 PHE CE1 C 4.499 -0.709 6.716 1.00 . A A . 9 PHE CE1 1 1
10 2156 1 1 9 PHE CE2 C 2.179 -0.297 6.689 1.00 . A A . 9 PHE CE2 1 1
10 2157 1 1 9 PHE CG C 3.649 1.161 5.461 1.00 . A A . 9 PHE CG 1 1
10 2158 1 1 9 PHE CZ C 3.239 -1.042 7.103 1.00 . A A . 9 PHE CZ 1 1
10 2159 1 1 9 PHE H H 4.333 4.091 2.923 1.00 . A A . 9 PHE H 1 1
10 2160 1 1 9 PHE HA H 5.473 1.675 3.212 1.00 . A A . 9 PHE HA 1 1
10 2161 1 1 9 PHE HB2 H 4.560 3.064 5.053 1.00 . A A . 9 PHE HB2 1 1
10 2162 1 1 9 PHE HB3 H 2.930 2.901 4.429 1.00 . A A . 9 PHE HB3 1 1
10 2163 1 1 9 PHE HD1 H 5.718 0.684 5.565 1.00 . A A . 9 PHE HD1 1 1
10 2164 1 1 9 PHE HD2 H 1.541 1.427 5.515 1.00 . A A . 9 PHE HD2 1 1
10 2165 1 1 9 PHE HE1 H 5.347 -1.307 7.050 1.00 . A A . 9 PHE HE1 1 1
10 2166 1 1 9 PHE HE2 H 1.169 -0.563 7.000 1.00 . A A . 9 PHE HE2 1 1
10 2167 1 1 9 PHE HZ H 3.077 -1.907 7.747 1.00 . A A . 9 PHE HZ 1 1
10 2168 1 1 9 PHE N N 4.424 3.249 2.392 1.00 . A A . 9 PHE N 1 1
10 2169 1 1 9 PHE O O 2.804 1.235 1.609 1.00 . A A . 9 PHE O 1 1
10 2170 1 1 10 LYS C C 2.130 -2.017 3.696 1.00 . A A . 10 LYS C 1 1
10 2171 1 1 10 LYS CA C 2.915 -1.379 2.548 1.00 . A A . 10 LYS CA 1 1
10 2172 1 1 10 LYS CB C 3.819 -2.361 1.801 1.00 . A A . 10 LYS CB 1 1
10 2173 1 1 10 LYS CD C 5.385 -1.600 -0.025 1.00 . A A . 10 LYS CD 1 1
10 2174 1 1 10 LYS CE C 5.771 -2.129 -1.407 1.00 . A A . 10 LYS CE 1 1
10 2175 1 1 10 LYS CG C 3.944 -1.979 0.324 1.00 . A A . 10 LYS CG 1 1
10 2176 1 1 10 LYS H H 4.305 -0.482 3.811 1.00 . A A . 10 LYS H 1 1
10 2177 1 1 10 LYS HA H 2.204 -0.981 1.823 1.00 . A A . 10 LYS HA 1 1
10 2178 1 1 10 LYS HB2 H 4.806 -2.374 2.261 1.00 . A A . 10 LYS HB2 1 1
10 2179 1 1 10 LYS HB3 H 3.415 -3.369 1.886 1.00 . A A . 10 LYS HB3 1 1
10 2180 1 1 10 LYS HD2 H 5.495 -0.515 0.000 1.00 . A A . 10 LYS HD2 1 1
10 2181 1 1 10 LYS HD3 H 6.063 -2.004 0.726 1.00 . A A . 10 LYS HD3 1 1
10 2182 1 1 10 LYS HE2 H 6.855 -2.164 -1.498 1.00 . A A . 10 LYS HE2 1 1
10 2183 1 1 10 LYS HE3 H 5.407 -3.149 -1.527 1.00 . A A . 10 LYS HE3 1 1
10 2184 1 1 10 LYS HG2 H 3.622 -2.813 -0.299 1.00 . A A . 10 LYS HG2 1 1
10 2185 1 1 10 LYS HG3 H 3.280 -1.142 0.104 1.00 . A A . 10 LYS HG3 1 1
10 2186 1 1 10 LYS HZ3 H 4.381 -1.725 -2.883 1.00 . A A . 10 LYS HZ3 1 1
10 2187 1 1 10 LYS N N 3.688 -0.260 3.057 1.00 . A A . 10 LYS N 1 1
10 2188 1 1 10 LYS NZ N 5.204 -1.266 -2.466 1.00 . A A . 10 LYS NZ 1 1
10 2189 1 1 10 LYS O O 2.572 -1.991 4.843 1.00 . A A . 10 LYS O 1 1
10 2190 1 1 11 SER C C -0.520 -4.465 3.734 1.00 . A A . 11 SER C 1 1
10 2191 1 1 11 SER CA C 0.130 -3.217 4.335 1.00 . A A . 11 SER CA 1 1
10 2192 1 1 11 SER CB C -0.931 -2.220 4.866 1.00 . A A . 11 SER CB 1 1
10 2193 1 1 11 SER H H 0.627 -2.590 2.411 1.00 . A A . 11 SER H 1 1
10 2194 1 1 11 SER HA H 0.748 -3.556 5.187 1.00 . A A . 11 SER HA 1 1
10 2195 1 1 11 SER HB2 H -0.432 -1.415 5.440 1.00 . A A . 11 SER HB2 1 1
10 2196 1 1 11 SER HB3 H -1.442 -1.701 4.032 1.00 . A A . 11 SER HB3 1 1
10 2197 1 1 11 SER HG H -2.380 -3.486 5.178 1.00 . A A . 11 SER HG 1 1
10 2198 1 1 11 SER N N 0.979 -2.574 3.347 1.00 . A A . 11 SER N 1 1
10 2199 1 1 11 SER O O -1.739 -4.614 3.773 1.00 . A A . 11 SER O 1 1
10 2200 1 1 11 SER OG O -1.905 -2.842 5.710 1.00 . A A . 11 SER OG 1 1
10 2201 1 1 12 CYS C C -0.532 -7.533 3.701 1.00 . A A . 12 CYS C 1 1
10 2202 1 1 12 CYS CA C -0.151 -6.560 2.582 1.00 . A A . 12 CYS CA 1 1
10 2203 1 1 12 CYS CB C 0.888 -7.160 1.633 1.00 . A A . 12 CYS CB 1 1
10 2204 1 1 12 CYS H H 1.317 -5.200 3.163 1.00 . A A . 12 CYS H 1 1
10 2205 1 1 12 CYS HA H -1.023 -6.296 1.985 1.00 . A A . 12 CYS HA 1 1
10 2206 1 1 12 CYS HB2 H 1.673 -7.629 2.225 1.00 . A A . 12 CYS HB2 1 1
10 2207 1 1 12 CYS HB3 H 0.413 -7.950 1.049 1.00 . A A . 12 CYS HB3 1 1
10 2208 1 1 12 CYS N N 0.326 -5.329 3.191 1.00 . A A . 12 CYS N 1 1
10 2209 1 1 12 CYS O O -1.539 -7.245 4.503 1.00 . A A . 12 CYS O 1 1
10 2210 1 1 12 CYS SG S 1.658 -5.964 0.482 1.00 . A A . 12 CYS SG 1 1
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