NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
655418 |
6y1q   |
34491 | cing | 4-filtered-FRED | STAR | entry | full | 120 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6y1q
# This FRED archive file contains, for PDB entry <6y1q>:
#
# - 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, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
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.PDB_coordinate_file_version .
_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_6y1q
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6y1q
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 1905.33
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 $Analog_5 A . 1 1
2 . 2 $OCTANOIC_ACID__CAPRYLIC_ACID_ B . 1 1
stop_
loop_
_PDBX_nonpoly_scheme.Entity_assembly_ID
_PDBX_nonpoly_scheme.Entity_ID
_PDBX_nonpoly_scheme.Mon_ID
_PDBX_nonpoly_scheme.Comp_index_ID
_PDBX_nonpoly_scheme.Comp_ID
_PDBX_nonpoly_scheme.Entry_ID
_PDBX_nonpoly_scheme.Assembly_ID
2 2 . 1 . 1 1
stop_
save_
save_Analog_5
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Analog 5"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code PCKNXFXKTFTSCK
_Entity.Number_of_monomers 14
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 PRO . 1 1
2 CYS . 1 1
3 LYS . 1 1
4 ASN . 1 1
5 . $. 1 1
6 PHE . 1 1
7 DTR $DTR 1 1
8 LYS . 1 1
9 THR . 1 1
10 PHE . 1 1
11 THR . 1 1
12 SER . 1 1
13 CYS . 1 1
14 LYS . 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
PRO 1 1 1 1
CYS 2 2 1 1
LYS 3 3 1 1
ASN 4 4 1 1
. 5 5 1 1
PHE 6 6 1 1
DTR 7 7 1 1
LYS 8 8 1 1
THR 9 9 1 1
PHE 10 10 1 1
THR 11 11 1 1
SER 12 12 1 1
CYS 13 13 1 1
LYS 14 14 1 1
stop_
save_
save_OCTANOIC_ACID__CAPRYLIC_ACID_
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "OCTANOIC ACID CAPRYLIC ACID "
_Entity.Type non-polymer
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 . $. 1 2
stop_
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_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
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 PRO HA . 2 . HA 1 1
1 1 2 1 1 2 CYS H . 3 . HN 1 1
2 1 1 1 1 1 PRO HB2 . 2 . HB2 1 1
2 1 2 1 1 2 CYS H . 3 . HN 1 1
3 1 1 1 1 1 PRO HB3 . 2 . HB1 1 1
3 1 2 1 1 2 CYS H . 3 . HN 1 1
4 1 1 1 1 2 CYS HA . 3 . HA 1 1
4 1 2 1 1 3 LYS H . 4 . HN 1 1
5 1 1 1 1 2 CYS HB2 . 3 . HB2 1 1
5 1 2 1 1 3 LYS H . 4 . HN 1 1
6 1 1 1 1 2 CYS HB2 . 3 . HB2 1 1
6 1 2 1 1 13 CYS H . 14 . HN 1 1
7 1 1 1 1 2 CYS HB3 . 3 . HB1 1 1
7 1 2 1 1 3 LYS H . 4 . HN 1 1
8 1 1 1 1 2 CYS HB3 . 3 . HB1 1 1
8 1 2 1 1 13 CYS H . 14 . HN 1 1
9 1 1 1 1 3 LYS HA . 4 . HA 1 1
9 1 2 1 1 4 ASN H . 5 . HN 1 1
10 1 1 1 1 3 LYS HB2 . 4 . HB2 1 1
10 1 2 1 1 4 ASN H . 5 . HN 1 1
11 1 1 1 1 3 LYS HB2 . 4 . HB2 1 1
11 1 2 1 1 6 PHE QD . 7 . HD+ 1 1
12 1 1 1 1 3 LYS HB2 . 4 . HB2 1 1
12 1 2 1 1 6 PHE QE . 7 . HE+ 1 1
13 1 1 1 1 3 LYS HB2 . 4 . HB2 1 1
13 1 2 1 1 10 PHE QD . 11 . HD+ 1 1
14 1 1 1 1 3 LYS HB2 . 4 . HB2 1 1
14 1 2 1 1 10 PHE QE . 11 . HE+ 1 1
15 1 1 1 1 3 LYS HB2 . 4 . HB2 1 1
15 1 2 1 1 10 PHE HZ . 11 . HZ 1 1
16 1 1 1 1 3 LYS HB2 . 4 . HB2 1 1
16 1 2 1 1 12 SER HB2 . 13 . HB2 1 1
17 1 1 1 1 3 LYS HB3 . 4 . HB1 1 1
17 1 2 1 1 4 ASN H . 5 . HN 1 1
18 1 1 1 1 3 LYS HB3 . 4 . HB1 1 1
18 1 2 1 1 6 PHE QD . 7 . HD+ 1 1
19 1 1 1 1 3 LYS HB3 . 4 . HB1 1 1
19 1 2 1 1 6 PHE QE . 7 . HE+ 1 1
20 1 1 1 1 3 LYS HB3 . 4 . HB1 1 1
20 1 2 1 1 6 PHE HZ . 7 . HZ 1 1
21 1 1 1 1 3 LYS HB3 . 4 . HB1 1 1
21 1 2 1 1 10 PHE QD . 11 . HD+ 1 1
22 1 1 1 1 3 LYS HB3 . 4 . HB1 1 1
22 1 2 1 1 10 PHE QE . 11 . HE+ 1 1
23 1 1 1 1 3 LYS HB3 . 4 . HB1 1 1
23 1 2 1 1 10 PHE HZ . 11 . HZ 1 1
24 1 1 1 1 3 LYS HD2 . 4 . HD2 1 1
24 1 2 1 1 4 ASN H . 5 . HN 1 1
25 1 1 1 1 3 LYS HG2 . 4 . HG2 1 1
25 1 2 1 1 4 ASN H . 5 . HN 1 1
26 1 1 1 1 3 LYS HG2 . 4 . HG2 1 1
26 1 2 1 1 10 PHE QE . 11 . HE+ 1 1
27 1 1 1 1 3 LYS HG2 . 4 . HG2 1 1
27 1 2 1 1 10 PHE HZ . 11 . HZ 1 1
28 1 1 1 1 3 LYS HG2 . 4 . HG2 1 1
28 1 2 1 1 12 SER HB2 . 13 . HB2 1 1
29 1 1 1 1 3 LYS HG3 . 4 . HG1 1 1
29 1 2 1 1 4 ASN H . 5 . HN 1 1
30 1 1 1 1 3 LYS HG3 . 4 . HG1 1 1
30 1 2 1 1 6 PHE QE . 7 . HE+ 1 1
31 1 1 1 1 3 LYS HG3 . 4 . HG1 1 1
31 1 2 1 1 6 PHE HZ . 7 . HZ 1 1
32 1 1 1 1 3 LYS HG3 . 4 . HG1 1 1
32 1 2 1 1 10 PHE QD . 11 . HD+ 1 1
33 1 1 1 1 3 LYS HG3 . 4 . HG1 1 1
33 1 2 1 1 10 PHE QE . 11 . HE+ 1 1
34 1 1 1 1 3 LYS HG3 . 4 . HG1 1 1
34 1 2 1 1 10 PHE HZ . 11 . HZ 1 1
35 1 1 1 1 3 LYS HG3 . 4 . HG1 1 1
35 1 2 1 1 12 SER HB2 . 13 . HB2 1 1
36 1 1 1 1 4 ASN H . 5 . HN 1 1
36 1 2 1 1 10 PHE QD . 11 . HD+ 1 1
37 1 1 1 1 4 ASN H . 5 . HN 1 1
37 1 2 1 1 11 THR MG . 12 . HG2+ 1 1
38 1 1 1 1 4 ASN H . 5 . HN 1 1
38 1 2 1 1 12 SER QB . 13 . HB+ 1 1
39 1 1 1 1 4 ASN HA . 5 . HA 1 1
39 1 2 1 1 10 PHE QE . 11 . HE+ 1 1
40 1 1 1 1 4 ASN HB2 . 5 . HB2 1 1
40 1 2 1 1 6 PHE QD . 7 . HD+ 1 1
41 1 1 1 1 4 ASN HB2 . 5 . HB2 1 1
41 1 2 1 1 6 PHE QE . 7 . HE+ 1 1
42 1 1 1 1 4 ASN HB2 . 5 . HB2 1 1
42 1 2 1 1 6 PHE HZ . 7 . HZ 1 1
43 1 1 1 1 4 ASN HB2 . 5 . HB2 1 1
43 1 2 1 1 10 PHE QD . 11 . HD+ 1 1
44 1 1 1 1 4 ASN HB2 . 5 . HB2 1 1
44 1 2 1 1 10 PHE QE . 11 . HE+ 1 1
45 1 1 1 1 4 ASN HB2 . 5 . HB2 1 1
45 1 2 1 1 10 PHE HZ . 11 . HZ 1 1
46 1 1 1 1 4 ASN HB2 . 5 . HB2 1 1
46 1 2 1 1 11 THR H . 12 . HN 1 1
47 1 1 1 1 4 ASN HD21 . 5 . HD21 1 1
47 1 2 1 1 10 PHE H . 11 . HN 1 1
48 1 1 1 1 4 ASN HD21 . 5 . HD21 1 1
48 1 2 1 1 11 THR MG . 12 . HG2+ 1 1
49 1 1 1 1 4 ASN HD21 . 5 . HD21 1 1
49 1 2 1 1 12 SER HA . 13 . HA 1 1
50 1 1 1 1 4 ASN HD21 . 5 . HD21 1 1
50 1 2 1 1 13 CYS H . 14 . HN 1 1
51 1 1 1 1 4 ASN HD22 . 5 . HD22 1 1
51 1 2 1 1 11 THR MG . 12 . HG2+ 1 1
52 1 1 1 1 4 ASN HD22 . 5 . HD22 1 1
52 1 2 1 1 12 SER HA . 13 . HA 1 1
53 1 1 1 1 4 ASN HD22 . 5 . HD22 1 1
53 1 2 1 1 12 SER QB . 13 . HB+ 1 1
54 1 1 1 1 4 ASN HD22 . 5 . HD22 1 1
54 1 2 1 1 13 CYS H . 14 . HN 1 1
55 1 1 1 1 6 PHE HA . 7 . HA 1 1
55 1 2 1 1 7 DTR HD1 . 8 . HD1 1 1
56 1 1 1 1 6 PHE QD . 7 . HD+ 1 1
56 1 2 1 1 7 DTR HA . 8 . HA 1 1
57 1 1 1 1 6 PHE QD . 7 . HD+ 1 1
57 1 2 1 1 9 THR HB . 10 . HB 1 1
58 1 1 1 1 6 PHE QD . 7 . HD+ 1 1
58 1 2 1 1 12 SER HA . 13 . HA 1 1
59 1 1 1 1 6 PHE QE . 7 . HE+ 1 1
59 1 2 1 1 7 DTR HA . 8 . HA 1 1
60 1 1 1 1 6 PHE QE . 7 . HE+ 1 1
60 1 2 1 1 8 LYS HA . 9 . HA 1 1
61 1 1 1 1 6 PHE QE . 7 . HE+ 1 1
61 1 2 1 1 9 THR MG . 10 . HG2+ 1 1
62 1 1 1 1 6 PHE HZ . 7 . HZ 1 1
62 1 2 1 1 9 THR MG . 10 . HG2+ 1 1
63 1 1 1 1 7 DTR HA . 8 . HA 1 1
63 1 2 1 1 8 LYS H . 9 . HN 1 1
64 1 1 1 1 7 DTR HA . 8 . HA 1 1
64 1 2 1 1 9 THR H . 10 . HN 1 1
65 1 1 1 1 7 DTR HB2 . 8 . HB2 1 1
65 1 2 1 1 8 LYS H . 9 . HN 1 1
66 1 1 1 1 7 DTR HD1 . 8 . HD1 1 1
66 1 2 1 1 8 LYS H . 9 . HN 1 1
67 1 1 1 1 7 DTR HD1 . 8 . HD1 1 1
67 1 2 1 1 8 LYS HA . 9 . HA 1 1
68 1 1 1 1 7 DTR HD1 . 8 . HD1 1 1
68 1 2 1 1 8 LYS HB2 . 9 . HB2 1 1
69 1 1 1 1 7 DTR HD1 . 8 . HD1 1 1
69 1 2 1 1 8 LYS HB3 . 9 . HB1 1 1
70 1 1 1 1 7 DTR HD1 . 8 . HD1 1 1
70 1 2 1 1 8 LYS HD2 . 9 . HD2 1 1
71 1 1 1 1 7 DTR HD1 . 8 . HD1 1 1
71 1 2 1 1 8 LYS HG2 . 9 . HG2 1 1
72 1 1 1 1 7 DTR HD1 . 8 . HD1 1 1
72 1 2 1 1 8 LYS HG3 . 9 . HG1 1 1
73 1 1 1 1 7 DTR HE1 . 8 . HE1 1 1
73 1 2 1 1 8 LYS H . 9 . HN 1 1
74 1 1 1 1 7 DTR HE1 . 8 . HE1 1 1
74 1 2 1 1 8 LYS HA . 9 . HA 1 1
75 1 1 1 1 7 DTR HE1 . 8 . HE1 1 1
75 1 2 1 1 8 LYS HB2 . 9 . HB2 1 1
76 1 1 1 1 7 DTR HE1 . 8 . HE1 1 1
76 1 2 1 1 8 LYS HB3 . 9 . HB1 1 1
77 1 1 1 1 7 DTR HE1 . 8 . HE1 1 1
77 1 2 1 1 8 LYS HD2 . 9 . HD2 1 1
78 1 1 1 1 7 DTR HE1 . 8 . HE1 1 1
78 1 2 1 1 8 LYS HE2 . 9 . HE2 1 1
79 1 1 1 1 7 DTR HE1 . 8 . HE1 1 1
79 1 2 1 1 8 LYS HE3 . 9 . HE1 1 1
80 1 1 1 1 7 DTR HE1 . 8 . HE1 1 1
80 1 2 1 1 8 LYS HG2 . 9 . HG2 1 1
81 1 1 1 1 7 DTR HE1 . 8 . HE1 1 1
81 1 2 1 1 8 LYS HG3 . 9 . HG1 1 1
82 1 1 1 1 7 DTR HH2 . 8 . HH2 1 1
82 1 2 1 1 8 LYS HE2 . 9 . HE2 1 1
83 1 1 1 1 7 DTR HH2 . 8 . HH2 1 1
83 1 2 1 1 8 LYS HE3 . 9 . HE1 1 1
84 1 1 1 1 7 DTR HH2 . 8 . HH2 1 1
84 1 2 1 1 8 LYS HG2 . 9 . HG2 1 1
85 1 1 1 1 7 DTR HZ2 . 8 . HZ2 1 1
85 1 2 1 1 8 LYS HB2 . 9 . HB2 1 1
86 1 1 1 1 7 DTR HZ2 . 8 . HZ2 1 1
86 1 2 1 1 8 LYS HB3 . 9 . HB1 1 1
87 1 1 1 1 7 DTR HZ2 . 8 . HZ2 1 1
87 1 2 1 1 8 LYS HE2 . 9 . HE2 1 1
88 1 1 1 1 7 DTR HZ2 . 8 . HZ2 1 1
88 1 2 1 1 8 LYS HE3 . 9 . HE1 1 1
89 1 1 1 1 7 DTR HZ2 . 8 . HZ2 1 1
89 1 2 1 1 8 LYS HG2 . 9 . HG2 1 1
90 1 1 1 1 7 DTR HZ2 . 8 . HZ2 1 1
90 1 2 1 1 8 LYS HG3 . 9 . HG1 1 1
91 1 1 1 1 8 LYS H . 9 . HN 1 1
91 1 2 1 1 9 THR H . 10 . HN 1 1
92 1 1 1 1 8 LYS HA . 9 . HA 1 1
92 1 2 1 1 9 THR H . 10 . HN 1 1
93 1 1 1 1 8 LYS HB2 . 9 . HB2 1 1
93 1 2 1 1 9 THR H . 10 . HN 1 1
94 1 1 1 1 8 LYS HB3 . 9 . HB1 1 1
94 1 2 1 1 9 THR H . 10 . HN 1 1
95 1 1 1 1 8 LYS HD2 . 9 . HD2 1 1
95 1 2 1 1 9 THR H . 10 . HN 1 1
96 1 1 1 1 8 LYS HG2 . 9 . HG2 1 1
96 1 2 1 1 9 THR H . 10 . HN 1 1
97 1 1 1 1 8 LYS HG3 . 9 . HG1 1 1
97 1 2 1 1 9 THR H . 10 . HN 1 1
98 1 1 1 1 9 THR H . 10 . HN 1 1
98 1 2 1 1 10 PHE H . 11 . HN 1 1
99 1 1 1 1 9 THR HA . 10 . HA 1 1
99 1 2 1 1 10 PHE H . 11 . HN 1 1
100 1 1 1 1 9 THR HA . 10 . HA 1 1
100 1 2 1 1 10 PHE QD . 11 . HD+ 1 1
101 1 1 1 1 9 THR HA . 10 . HA 1 1
101 1 2 1 1 10 PHE QE . 11 . HE+ 1 1
102 1 1 1 1 9 THR HB . 10 . HB 1 1
102 1 2 1 1 10 PHE H . 11 . HN 1 1
103 1 1 1 1 9 THR MG . 10 . HG2+ 1 1
103 1 2 1 1 10 PHE H . 11 . HN 1 1
104 1 1 1 1 9 THR MG . 10 . HG2+ 1 1
104 1 2 1 1 10 PHE QD . 11 . HD+ 1 1
105 1 1 1 1 9 THR MG . 10 . HG2+ 1 1
105 1 2 1 1 10 PHE QE . 11 . HE+ 1 1
106 1 1 1 1 9 THR MG . 10 . HG2+ 1 1
106 1 2 1 1 10 PHE HZ . 11 . HZ 1 1
107 1 1 1 1 10 PHE HA . 11 . HA 1 1
107 1 2 1 1 11 THR H . 12 . HN 1 1
108 1 1 1 1 10 PHE HB2 . 11 . HB2 1 1
108 1 2 1 1 11 THR H . 12 . HN 1 1
109 1 1 1 1 10 PHE QD . 11 . HD+ 1 1
109 1 2 1 1 11 THR MG . 12 . HG2+ 1 1
110 1 1 1 1 10 PHE QD . 11 . HD+ 1 1
110 1 2 1 1 12 SER HA . 13 . HA 1 1
111 1 1 1 1 10 PHE QE . 11 . HE+ 1 1
111 1 2 1 1 12 SER HA . 13 . HA 1 1
112 1 1 1 1 10 PHE QE . 11 . HE+ 1 1
112 1 2 1 1 13 CYS H . 14 . HN 1 1
113 1 1 1 1 10 PHE HZ . 11 . HZ 1 1
113 1 2 1 1 12 SER HA . 13 . HA 1 1
114 1 1 1 1 11 THR HA . 12 . HA 1 1
114 1 2 1 1 12 SER H . 13 . HN 1 1
115 1 1 1 1 11 THR HB . 12 . HB 1 1
115 1 2 1 1 12 SER H . 13 . HN 1 1
116 1 1 1 1 11 THR MG . 12 . HG2+ 1 1
116 1 2 1 1 12 SER HB2 . 13 . HB2 1 1
117 1 1 1 1 11 THR MG . 12 . HG2+ 1 1
117 1 2 1 1 13 CYS H . 14 . HN 1 1
118 1 1 1 1 12 SER HA . 13 . HA 1 1
118 1 2 1 1 13 CYS H . 14 . HN 1 1
119 1 1 1 1 12 SER QB . 13 . HB+ 1 1
119 1 2 1 1 13 CYS H . 14 . HN 1 1
120 1 1 1 1 13 CYS HA . 14 . HA 1 1
120 1 2 1 1 14 LYS H . 15 . HN 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 . . . . . 6.4116 2.6334462 10.189754 1 1
2 1 . . . . . 6.1079 2.5633616 9.652438 1 1
3 1 . . . . . 6.3175 2.6117308 10.02327 1 1
4 1 . . . . . 4.4146 2.1726 6.6566 1 1
5 1 . . . . . 5.7024 2.4697845 8.935016 1 1
6 1 . . . . . 4.6935 2.2369616 7.1500382 1 1
7 1 . . . . . 5.1583 2.344223 7.972377 1 1
8 1 . . . . . 4.272 2.1396923 6.404308 1 1
9 1 . . . . . 3.9781 2.0718691 5.8843307 1 1
10 1 . . . . . 4.3233 2.1515307 6.495069 1 1
11 1 . . . . . 6.4175 2.6348076 10.200192 1 1
12 1 . . . . . 6.3666 2.6230617 10.110139 1 1
13 1 . . . . . 6.6234 2.682323 10.564477 1 1
14 1 . . . . . 6.9255 2.7520385 11.098962 1 1
15 1 . . . . . 6.4116 2.6334462 10.189754 1 1
16 1 . . . . . 6.3071 2.6093307 10.004869 1 1
17 1 . . . . . 5.7225 2.4744232 8.970577 1 1
18 1 . . . . . 6.52 2.6584616 10.381538 1 1
19 1 . . . . . 6.5663 2.669146 10.463454 1 1
20 1 . . . . . 6.3161 2.6114078 10.020792 1 1
21 1 . . . . . 6.7928 2.7214153 10.864184 1 1
22 1 . . . . . 6.6481 2.688023 10.608177 1 1
23 1 . . . . . 6.3541 2.620177 10.088023 1 1
24 1 . . . . . 5.4432 2.4099693 8.476431 1 1
25 1 . . . . . 5.4593 2.4136846 8.504915 1 1
26 1 . . . . . 6.5451 2.664254 10.425946 1 1
27 1 . . . . . 6.2982 2.607277 9.989123 1 1
28 1 . . . . . 6.1339 2.5693614 9.698439 1 1
29 1 . . . . . 5.3088 2.378954 8.2386465 1 1
30 1 . . . . . 6.1805 2.5801153 9.780885 1 1
31 1 . . . . . 5.8999 2.5153615 9.284438 1 1
32 1 . . . . . 6.2964 2.6068616 9.985938 1 1
33 1 . . . . . 6.3086 2.6096768 10.007524 1 1
34 1 . . . . . 6.1026 2.5621386 9.643062 1 1
35 1 . . . . . 6.514 2.6570768 10.370923 1 1
36 1 . . . . . 6.1841 2.6308846 9.787253 1 1
37 1 . . . . . 6.3116 2.6103692 10.012831 1 1
38 1 . . . . . 6.2294 2.5914 9.8674 1 1
39 1 . . . . . 6.4593 2.6444538 10.274146 1 1
40 1 . . . . . 6.4527 2.6429307 10.262469 1 1
41 1 . . . . . 6.5568 2.6669538 10.446646 1 1
42 1 . . . . . 6.4571 2.6439462 10.270254 1 1
43 1 . . . . . 6.1123 2.5643768 9.660223 1 1
44 1 . . . . . 6.5467 2.664623 10.428777 1 1
45 1 . . . . . 6.4783 2.6488385 10.307761 1 1
46 1 . . . . . 6.4776 2.6486769 10.306523 1 1
47 1 . . . . . 5.6716 2.462677 8.880523 1 1
48 1 . . . . . 5.9054 2.516631 9.294169 1 1
49 1 . . . . . 6.2821 2.6035616 9.960638 1 1
50 1 . . . . . 5.7172 2.4732 8.9612 1 1
51 1 . . . . . 6.5781 2.6718693 10.484331 1 1
52 1 . . . . . 6.6219 2.681977 10.561823 1 1
53 1 . . . . . 6.7167 2.7038538 10.729547 1 1
54 1 . . . . . 6.0109 2.540977 9.4808235 1 1
55 1 . . . . . 6.4721 2.6474078 10.296792 1 1
56 1 . . . . . 6.713 2.703 10.723 1 1
57 1 . . . . . 6.1289 2.5682077 9.689592 1 1
58 1 . . . . . 6.7281 2.7064846 10.749716 1 1
59 1 . . . . . 6.7584 2.713477 10.803323 1 1
60 1 . . . . . 6.2567 2.5977 9.9157 1 1
61 1 . . . . . 6.4241 2.6363308 10.211869 1 1
62 1 . . . . . 6.5177 2.6579309 10.377469 1 1
63 1 . . . . . 4.8674 2.2770922 7.457708 1 1
64 1 . . . . . 5.019 2.3120768 7.725923 1 1
65 1 . . . . . 4.911 2.287154 7.5348463 1 1
66 1 . . . . . 6.1141 2.5647924 9.663407 1 1
67 1 . . . . . 6.0291 2.545177 9.513023 1 1
68 1 . . . . . 6.1975 2.5840385 9.810962 1 1
69 1 . . . . . 6.109 2.5636153 9.654385 1 1
70 1 . . . . . 6.1509 2.5732846 9.728516 1 1
71 1 . . . . . 6.392 2.6289232 10.155077 1 1
72 1 . . . . . 6.75 2.7115386 10.788462 1 1
73 1 . . . . . 5.7304 2.476246 8.984554 1 1
74 1 . . . . . 6.2569 2.5977461 9.916054 1 1
75 1 . . . . . 6.392 2.6289232 10.155077 1 1
76 1 . . . . . 6.3075 2.6094232 9.859615 1 1
77 1 . . . . . 6.2356 2.5928307 7.7506924 1 1
78 1 . . . . . 6.297 2.607 9.987 1 1
79 1 . . . . . 6.5493 2.6652231 10.433377 1 1
80 1 . . . . . 6.1299 2.5684385 9.360692 1 1
81 1 . . . . . 6.3819 2.6360538 10.137208 1 1
82 1 . . . . . 6.4527 2.6429307 10.262469 1 1
83 1 . . . . . 6.3428 2.6175692 10.06803 1 1
84 1 . . . . . 6.2425 2.594423 9.890577 1 1
85 1 . . . . . 5.1866 2.3507538 8.022446 1 1
86 1 . . . . . 3.957 2.067 5.847 1 1
87 1 . . . . . 3.2962 1.9145077 4.677892 1 1
88 1 . . . . . 3.25 1.9038461 4.5961537 1 1
89 1 . . . . . 4.5204 2.1970153 6.843785 1 1
90 1 . . . . . 4.6318 2.222723 7.040877 1 1
91 1 . . . . . 4.8065 2.2630384 7.3499618 1 1
92 1 . . . . . 4.7406 2.2478309 7.2333694 1 1
93 1 . . . . . 6.1866 2.5815232 9.7916765 1 1
94 1 . . . . . 5.4667 2.4153924 8.518007 1 1
95 1 . . . . . 5.6077 2.4479308 8.767469 1 1
96 1 . . . . . 6.4354 2.6389384 10.231861 1 1
97 1 . . . . . 6.5252 2.6596615 10.3907385 1 1
98 1 . . . . . 5.7005 2.469346 8.931654 1 1
99 1 . . . . . 5.5488 2.4343386 8.663261 1 1
100 1 . . . . . 6.2889 2.6051307 9.97267 1 1
101 1 . . . . . 6.4492 2.642123 10.256277 1 1
102 1 . . . . . 5.7525 2.4813461 9.023654 1 1
103 1 . . . . . 6.2077 2.5863924 9.829008 1 1
104 1 . . . . . 6.75 2.7115386 10.788462 1 1
105 1 . . . . . 6.7987 2.722777 10.874623 1 1
106 1 . . . . . 6.4464 2.6414769 10.251323 1 1
107 1 . . . . . 5.879 2.5105386 9.247461 1 1
108 1 . . . . . 6.3581 2.6211 10.0951 1 1
109 1 . . . . . 6.7748 2.7172616 10.832338 1 1
110 1 . . . . . 6.3767 2.6253922 10.128008 1 1
111 1 . . . . . 6.5224 2.6590154 10.385784 1 1
112 1 . . . . . 6.3345 2.6156538 10.053346 1 1
113 1 . . . . . 6.3607 2.6217 10.0997 1 1
114 1 . . . . . 3.3279 1.921823 4.733977 1 1
115 1 . . . . . 4.3507 2.1578538 6.543546 1 1
116 1 . . . . . 4.8163 2.2653 7.3673 1 1
117 1 . . . . . 6.8775 2.7409616 11.014038 1 1
118 1 . . . . . 4.5713 2.2087615 6.9338384 1 1
119 1 . . . . . 5.972 2.532 9.412 1 1
120 1 . . . . . 4.1757 2.1174693 6.2339306 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 PRO C C 7.354 0.280 0.259 1.00 . A A . 2 PRO C 1 1
1 2 1 1 1 PRO CA C 8.811 -0.096 0.542 1.00 . A A . 2 PRO CA 1 1
1 3 1 1 1 PRO CB C 9.743 1.036 0.122 1.00 . A A . 2 PRO CB 1 1
1 4 1 1 1 PRO CD C 9.719 -0.676 -1.605 1.00 . A A . 2 PRO CD 1 1
1 5 1 1 1 PRO CG C 10.039 0.780 -1.327 1.00 . A A . 2 PRO CG 1 1
1 6 1 1 1 PRO HA H 8.941 -0.308 1.592 1.00 . A A . 2 PRO HA 1 1
1 7 1 1 1 PRO HB2 H 9.243 1.985 0.263 1.00 . A A . 2 PRO HB2 1 1
1 8 1 1 1 PRO HB3 H 10.642 1.006 0.719 1.00 . A A . 2 PRO HB3 1 1
1 9 1 1 1 PRO HD2 H 8.924 -0.755 -2.333 1.00 . A A . 2 PRO HD2 1 1
1 10 1 1 1 PRO HD3 H 10.601 -1.196 -1.952 1.00 . A A . 2 PRO HD3 1 1
1 11 1 1 1 PRO HG2 H 9.420 1.418 -1.941 1.00 . A A . 2 PRO HG2 1 1
1 12 1 1 1 PRO HG3 H 11.082 0.976 -1.524 1.00 . A A . 2 PRO HG3 1 1
1 13 1 1 1 PRO N N 9.284 -1.192 -0.298 1.00 . A A . 2 PRO N 1 1
1 14 1 1 1 PRO O O 6.829 1.237 0.828 1.00 . A A . 2 PRO O 1 1
1 15 1 1 2 CYS C C 4.429 -1.351 -0.521 1.00 . A A . 3 CYS C 1 1
1 16 1 1 2 CYS CA C 5.329 -0.215 -0.998 1.00 . A A . 3 CYS CA 1 1
1 17 1 1 2 CYS CB C 5.199 -0.056 -2.513 1.00 . A A . 3 CYS CB 1 1
1 18 1 1 2 CYS H H 7.193 -1.208 -1.066 1.00 . A A . 3 CYS H 1 1
1 19 1 1 2 CYS HA H 5.024 0.705 -0.522 1.00 . A A . 3 CYS HA 1 1
1 20 1 1 2 CYS HB2 H 5.574 -0.948 -2.993 1.00 . A A . 3 CYS HB2 1 1
1 21 1 1 2 CYS HB3 H 4.158 0.074 -2.768 1.00 . A A . 3 CYS HB3 1 1
1 22 1 1 2 CYS N N 6.715 -0.468 -0.634 1.00 . A A . 3 CYS N 1 1
1 23 1 1 2 CYS O O 4.608 -2.503 -0.921 1.00 . A A . 3 CYS O 1 1
1 24 1 1 2 CYS SG S 6.119 1.361 -3.193 1.00 . A A . 3 CYS SG 1 1
1 25 1 1 3 LYS C C 1.109 -1.645 0.501 1.00 . A A . 4 LYS C 1 1
1 26 1 1 3 LYS CA C 2.541 -2.021 0.846 1.00 . A A . 4 LYS CA 1 1
1 27 1 1 3 LYS CB C 2.696 -2.157 2.369 1.00 . A A . 4 LYS CB 1 1
1 28 1 1 3 LYS CD C 1.516 -4.408 2.479 1.00 . A A . 4 LYS CD 1 1
1 29 1 1 3 LYS CE C 2.746 -5.239 2.805 1.00 . A A . 4 LYS CE 1 1
1 30 1 1 3 LYS CG C 1.611 -2.995 3.043 1.00 . A A . 4 LYS CG 1 1
1 31 1 1 3 LYS H H 3.365 -0.092 0.614 1.00 . A A . 4 LYS H 1 1
1 32 1 1 3 LYS HA H 2.776 -2.968 0.383 1.00 . A A . 4 LYS HA 1 1
1 33 1 1 3 LYS HB2 H 3.654 -2.609 2.583 1.00 . A A . 4 LYS HB2 1 1
1 34 1 1 3 LYS HB3 H 2.671 -1.169 2.806 1.00 . A A . 4 LYS HB3 1 1
1 35 1 1 3 LYS HD2 H 0.650 -4.893 2.901 1.00 . A A . 4 LYS HD2 1 1
1 36 1 1 3 LYS HD3 H 1.409 -4.350 1.405 1.00 . A A . 4 LYS HD3 1 1
1 37 1 1 3 LYS HE2 H 3.611 -4.775 2.356 1.00 . A A . 4 LYS HE2 1 1
1 38 1 1 3 LYS HE3 H 2.869 -5.273 3.877 1.00 . A A . 4 LYS HE3 1 1
1 39 1 1 3 LYS HG2 H 1.828 -3.059 4.098 1.00 . A A . 4 LYS HG2 1 1
1 40 1 1 3 LYS HG3 H 0.659 -2.501 2.905 1.00 . A A . 4 LYS HG3 1 1
1 41 1 1 3 LYS HZ1 H 3.491 -7.160 2.475 1.00 . A A . 4 LYS HZ1 1 1
1 42 1 1 3 LYS HZ2 H 2.442 -6.611 1.265 1.00 . A A . 4 LYS HZ2 1 1
1 43 1 1 3 LYS HZ3 H 1.819 -7.109 2.759 1.00 . A A . 4 LYS HZ3 1 1
1 44 1 1 3 LYS N N 3.466 -1.028 0.330 1.00 . A A . 4 LYS N 1 1
1 45 1 1 3 LYS NZ N 2.616 -6.624 2.289 1.00 . A A . 4 LYS NZ 1 1
1 46 1 1 3 LYS O O 0.648 -0.550 0.832 1.00 . A A . 4 LYS O 1 1
1 47 1 1 4 ASN C C -1.759 -3.406 0.475 1.00 . A A . 5 ASN C 1 1
1 48 1 1 4 ASN CA C -1.015 -2.379 -0.381 1.00 . A A . 5 ASN CA 1 1
1 49 1 1 4 ASN CB C -1.370 -2.614 -1.855 1.00 . A A . 5 ASN CB 1 1
1 50 1 1 4 ASN CG C -0.634 -1.699 -2.820 1.00 . A A . 5 ASN CG 1 1
1 51 1 1 4 ASN H H 0.857 -3.353 -0.507 1.00 . A A . 5 ASN H 1 1
1 52 1 1 4 ASN HA H -1.288 -1.375 -0.097 1.00 . A A . 5 ASN HA 1 1
1 53 1 1 4 ASN HB2 H -1.129 -3.631 -2.109 1.00 . A A . 5 ASN HB2 1 1
1 54 1 1 4 ASN HB3 H -2.432 -2.462 -1.986 1.00 . A A . 5 ASN HB3 1 1
1 55 1 1 4 ASN HD21 H -2.131 -0.396 -2.766 1.00 . A A . 5 ASN HD21 1 1
1 56 1 1 4 ASN HD22 H -0.803 0.024 -3.789 1.00 . A A . 5 ASN HD22 1 1
1 57 1 1 4 ASN N N 0.408 -2.552 -0.161 1.00 . A A . 5 ASN N 1 1
1 58 1 1 4 ASN ND2 N -1.246 -0.577 -3.156 1.00 . A A . 5 ASN ND2 1 1
1 59 1 1 4 ASN O O -1.682 -4.605 0.208 1.00 . A A . 5 ASN O 1 1
1 60 1 1 4 ASN OD1 O 0.470 -2.011 -3.274 1.00 . A A . 5 ASN OD1 1 1
1 61 1 1 5 . C C -4.449 -4.383 1.681 1.00 . A A . 6 O6H C 1 1
1 62 1 1 5 . CA C -3.208 -3.849 2.381 1.00 . A A . 6 O6H CA 1 1
1 63 1 1 5 . CB C -3.599 -3.161 3.692 1.00 . A A . 6 O6H CB 1 1
1 64 1 1 5 . CD1 C -1.743 -3.632 5.343 1.00 . A A . 6 O6H CD1 1 1
1 65 1 1 5 . CD2 C -1.974 -1.416 4.504 1.00 . A A . 6 O6H CD2 1 1
1 66 1 1 5 . CE1 C -0.661 -3.234 6.109 1.00 . A A . 6 O6H CE1 1 1
1 67 1 1 5 . CE2 C -0.896 -1.006 5.263 1.00 . A A . 6 O6H CE2 1 1
1 68 1 1 5 . CF1 C -2.188 -5.063 5.403 1.00 . A A . 6 O6H CF1 1 1
1 69 1 1 5 . CF2 C -2.675 -0.416 3.640 1.00 . A A . 6 O6H CF2 1 1
1 70 1 1 5 . CG C -2.418 -2.730 4.527 1.00 . A A . 6 O6H CG 1 1
1 71 1 1 5 . CH C 0.924 -1.476 6.888 1.00 . A A . 6 O6H CH 1 1
1 72 1 1 5 . CZ C -0.245 -1.919 6.062 1.00 . A A . 6 O6H CZ 1 1
1 73 1 1 5 . H1 H -2.418 -1.997 1.741 1.00 . A A . 6 O6H H1 1 1
1 74 1 1 5 . HA H -2.570 -4.688 2.616 1.00 . A A . 6 O6H HA 1 1
1 75 1 1 5 . HB1 H -4.194 -3.842 4.283 1.00 . A A . 6 O6H HB1 1 1
1 76 1 1 5 . HB2 H -4.185 -2.282 3.467 1.00 . A A . 6 O6H HB2 1 1
1 77 1 1 5 . HE1 H -0.147 -3.946 6.737 1.00 . A A . 6 O6H HE1 1 1
1 78 1 1 5 . HE2 H -0.566 0.023 5.229 1.00 . A A . 6 O6H HE2 1 1
1 79 1 1 5 . HF11 H -3.255 -5.175 5.527 1.00 . A A . 6 O6H HF11 1 1
1 80 1 1 5 . HF12 H -1.747 -5.615 6.220 1.00 . A A . 6 O6H HF12 1 1
1 81 1 1 5 . HF13 H -1.944 -5.625 4.514 1.00 . A A . 6 O6H HF13 1 1
1 82 1 1 5 . HF21 H -2.772 0.554 4.102 1.00 . A A . 6 O6H HF21 1 1
1 83 1 1 5 . HF22 H -2.174 -0.237 2.701 1.00 . A A . 6 O6H HF22 1 1
1 84 1 1 5 . HF23 H -3.681 -0.709 3.377 1.00 . A A . 6 O6H HF23 1 1
1 85 1 1 5 . HH1 H 0.741 -1.528 7.950 1.00 . A A . 6 O6H HH1 1 1
1 86 1 1 5 . HH2 H 1.219 -0.454 6.699 1.00 . A A . 6 O6H HH2 1 1
1 87 1 1 5 . HH3 H 1.814 -2.065 6.722 1.00 . A A . 6 O6H HH3 1 1
1 88 1 1 5 . N N -2.441 -2.950 1.525 1.00 . A A . 6 O6H N 1 1
1 89 1 1 5 . O O -4.820 -5.543 1.847 1.00 . A A . 6 O6H O 1 1
1 90 1 1 6 PHE C C -6.381 -4.008 -1.129 1.00 . A A . 7 PHE C 1 1
1 91 1 1 6 PHE CA C -6.424 -3.835 0.384 1.00 . A A . 7 PHE CA 1 1
1 92 1 1 6 PHE CB C -7.423 -2.736 0.759 1.00 . A A . 7 PHE CB 1 1
1 93 1 1 6 PHE CD1 C -7.625 -3.113 3.237 1.00 . A A . 7 PHE CD1 1 1
1 94 1 1 6 PHE CD2 C -6.806 -1.007 2.471 1.00 . A A . 7 PHE CD2 1 1
1 95 1 1 6 PHE CE1 C -7.483 -2.693 4.546 1.00 . A A . 7 PHE CE1 1 1
1 96 1 1 6 PHE CE2 C -6.666 -0.582 3.777 1.00 . A A . 7 PHE CE2 1 1
1 97 1 1 6 PHE CG C -7.288 -2.275 2.185 1.00 . A A . 7 PHE CG 1 1
1 98 1 1 6 PHE CZ C -7.002 -1.426 4.815 1.00 . A A . 7 PHE CZ 1 1
1 99 1 1 6 PHE H H -4.711 -2.645 0.736 1.00 . A A . 7 PHE H 1 1
1 100 1 1 6 PHE HA H -6.746 -4.763 0.829 1.00 . A A . 7 PHE HA 1 1
1 101 1 1 6 PHE HB2 H -7.268 -1.881 0.117 1.00 . A A . 7 PHE HB2 1 1
1 102 1 1 6 PHE HB3 H -8.427 -3.108 0.623 1.00 . A A . 7 PHE HB3 1 1
1 103 1 1 6 PHE HD1 H -8.000 -4.105 3.028 1.00 . A A . 7 PHE HD1 1 1
1 104 1 1 6 PHE HD2 H -6.543 -0.344 1.661 1.00 . A A . 7 PHE HD2 1 1
1 105 1 1 6 PHE HE1 H -7.748 -3.354 5.358 1.00 . A A . 7 PHE HE1 1 1
1 106 1 1 6 PHE HE2 H -6.292 0.410 3.987 1.00 . A A . 7 PHE HE2 1 1
1 107 1 1 6 PHE HZ H -6.887 -1.096 5.836 1.00 . A A . 7 PHE HZ 1 1
1 108 1 1 6 PHE N N -5.111 -3.516 0.926 1.00 . A A . 7 PHE N 1 1
1 109 1 1 6 PHE O O -7.286 -4.596 -1.720 1.00 . A A . 7 PHE O 1 1
1 110 1 1 7 DTR C C -4.958 -2.149 -3.793 1.00 . A A . 8 DTR C 1 1
1 111 1 1 7 DTR CA C -5.250 -3.531 -3.208 1.00 . A A . 8 DTR CA 1 1
1 112 1 1 7 DTR CB C -4.179 -4.533 -3.655 1.00 . A A . 8 DTR CB 1 1
1 113 1 1 7 DTR CD1 C -4.954 -5.712 -5.792 1.00 . A A . 8 DTR CD1 1 1
1 114 1 1 7 DTR CD2 C -3.486 -4.055 -6.139 1.00 . A A . 8 DTR CD2 1 1
1 115 1 1 7 DTR CE2 C -3.842 -4.610 -7.382 1.00 . A A . 8 DTR CE2 1 1
1 116 1 1 7 DTR CE3 C -2.573 -2.994 -6.111 1.00 . A A . 8 DTR CE3 1 1
1 117 1 1 7 DTR CG C -4.209 -4.775 -5.133 1.00 . A A . 8 DTR CG 1 1
1 118 1 1 7 DTR CH2 C -2.430 -3.101 -8.526 1.00 . A A . 8 DTR CH2 1 1
1 119 1 1 7 DTR CZ2 C -3.319 -4.139 -8.583 1.00 . A A . 8 DTR CZ2 1 1
1 120 1 1 7 DTR CZ3 C -2.055 -2.530 -7.304 1.00 . A A . 8 DTR CZ3 1 1
1 121 1 1 7 DTR H H -4.642 -3.037 -1.249 1.00 . A A . 8 DTR H 1 1
1 122 1 1 7 DTR HA H -6.187 -3.911 -3.589 1.00 . A A . 8 DTR HA 1 1
1 123 1 1 7 DTR HB2 H -3.201 -4.152 -3.395 1.00 . A A . 8 DTR HB2 1 1
1 124 1 1 7 DTR HB3 H -4.341 -5.476 -3.156 1.00 . A A . 8 DTR HB3 1 1
1 125 1 1 7 DTR HD1 H -5.614 -6.416 -5.307 1.00 . A A . 8 DTR HD1 1 1
1 126 1 1 7 DTR HE1 H -5.162 -6.188 -7.832 1.00 . A A . 8 DTR HE1 1 1
1 127 1 1 7 DTR HE3 H -2.271 -2.541 -5.178 1.00 . A A . 8 DTR HE3 1 1
1 128 1 1 7 DTR HH2 H -1.998 -2.708 -9.435 1.00 . A A . 8 DTR HH2 1 1
1 129 1 1 7 DTR HZ2 H -3.602 -4.566 -9.532 1.00 . A A . 8 DTR HZ2 1 1
1 130 1 1 7 DTR HZ3 H -1.348 -1.713 -7.302 1.00 . A A . 8 DTR HZ3 1 1
1 131 1 1 7 DTR N N -5.348 -3.474 -1.761 1.00 . A A . 8 DTR N 1 1
1 132 1 1 7 DTR NE1 N -4.739 -5.617 -7.144 1.00 . A A . 8 DTR NE1 1 1
1 133 1 1 7 DTR O O -4.059 -1.459 -3.316 1.00 . A A . 8 DTR O 1 1
1 134 1 1 8 LYS C C -6.149 0.692 -4.828 1.00 . A A . 9 LYS C 1 1
1 135 1 1 8 LYS CA C -5.432 -0.473 -5.495 1.00 . A A . 9 LYS CA 1 1
1 136 1 1 8 LYS CB C -5.814 -0.557 -6.983 1.00 . A A . 9 LYS CB 1 1
1 137 1 1 8 LYS CD C -7.779 -2.153 -7.057 1.00 . A A . 9 LYS CD 1 1
1 138 1 1 8 LYS CE C -7.213 -3.085 -8.116 1.00 . A A . 9 LYS CE 1 1
1 139 1 1 8 LYS CG C -7.308 -0.717 -7.250 1.00 . A A . 9 LYS CG 1 1
1 140 1 1 8 LYS H H -6.506 -2.250 -5.080 1.00 . A A . 9 LYS H 1 1
1 141 1 1 8 LYS HA H -4.368 -0.305 -5.420 1.00 . A A . 9 LYS HA 1 1
1 142 1 1 8 LYS HB2 H -5.483 0.346 -7.474 1.00 . A A . 9 LYS HB2 1 1
1 143 1 1 8 LYS HB3 H -5.301 -1.400 -7.423 1.00 . A A . 9 LYS HB3 1 1
1 144 1 1 8 LYS HD2 H -7.458 -2.498 -6.085 1.00 . A A . 9 LYS HD2 1 1
1 145 1 1 8 LYS HD3 H -8.857 -2.178 -7.110 1.00 . A A . 9 LYS HD3 1 1
1 146 1 1 8 LYS HE2 H -6.136 -3.000 -8.114 1.00 . A A . 9 LYS HE2 1 1
1 147 1 1 8 LYS HE3 H -7.492 -4.099 -7.870 1.00 . A A . 9 LYS HE3 1 1
1 148 1 1 8 LYS HG2 H -7.849 -0.082 -6.571 1.00 . A A . 9 LYS HG2 1 1
1 149 1 1 8 LYS HG3 H -7.512 -0.414 -8.267 1.00 . A A . 9 LYS HG3 1 1
1 150 1 1 8 LYS HZ1 H -8.766 -2.768 -9.480 1.00 . A A . 9 LYS HZ1 1 1
1 151 1 1 8 LYS HZ2 H -7.380 -3.461 -10.164 1.00 . A A . 9 LYS HZ2 1 1
1 152 1 1 8 LYS HZ3 H -7.392 -1.813 -9.770 1.00 . A A . 9 LYS HZ3 1 1
1 153 1 1 8 LYS N N -5.725 -1.723 -4.802 1.00 . A A . 9 LYS N 1 1
1 154 1 1 8 LYS NZ N -7.722 -2.758 -9.475 1.00 . A A . 9 LYS NZ 1 1
1 155 1 1 8 LYS O O -6.025 1.842 -5.251 1.00 . A A . 9 LYS O 1 1
1 156 1 1 9 THR C C -6.662 2.138 -2.061 1.00 . A A . 10 THR C 1 1
1 157 1 1 9 THR CA C -7.602 1.402 -3.023 1.00 . A A . 10 THR CA 1 1
1 158 1 1 9 THR CB C -8.753 0.762 -2.225 1.00 . A A . 10 THR CB 1 1
1 159 1 1 9 THR CG2 C -9.760 1.810 -1.772 1.00 . A A . 10 THR CG2 1 1
1 160 1 1 9 THR H H -6.985 -0.556 -3.517 1.00 . A A . 10 THR H 1 1
1 161 1 1 9 THR HA H -8.022 2.110 -3.724 1.00 . A A . 10 THR HA 1 1
1 162 1 1 9 THR HB H -8.342 0.275 -1.351 1.00 . A A . 10 THR HB 1 1
1 163 1 1 9 THR HG1 H -9.928 0.228 -3.731 1.00 . A A . 10 THR HG1 1 1
1 164 1 1 9 THR HG21 H -10.180 2.303 -2.638 1.00 . A A . 10 THR HG21 1 1
1 165 1 1 9 THR HG22 H -9.264 2.540 -1.149 1.00 . A A . 10 THR HG22 1 1
1 166 1 1 9 THR HG23 H -10.549 1.334 -1.210 1.00 . A A . 10 THR HG23 1 1
1 167 1 1 9 THR N N -6.886 0.386 -3.773 1.00 . A A . 10 THR N 1 1
1 168 1 1 9 THR O O -6.862 3.315 -1.763 1.00 . A A . 10 THR O 1 1
1 169 1 1 9 THR OG1 O -9.413 -0.218 -3.041 1.00 . A A . 10 THR OG1 1 1
1 170 1 1 10 PHE C C -3.226 1.793 -1.176 1.00 . A A . 11 PHE C 1 1
1 171 1 1 10 PHE CA C -4.673 2.034 -0.667 1.00 . A A . 11 PHE CA 1 1
1 172 1 1 10 PHE CB C -4.831 1.380 0.712 1.00 . A A . 11 PHE CB 1 1
1 173 1 1 10 PHE CD1 C -2.784 2.376 1.790 1.00 . A A . 11 PHE CD1 1 1
1 174 1 1 10 PHE CD2 C -4.872 2.566 2.923 1.00 . A A . 11 PHE CD2 1 1
1 175 1 1 10 PHE CE1 C -2.158 3.048 2.819 1.00 . A A . 11 PHE CE1 1 1
1 176 1 1 10 PHE CE2 C -4.250 3.240 3.955 1.00 . A A . 11 PHE CE2 1 1
1 177 1 1 10 PHE CG C -4.148 2.126 1.828 1.00 . A A . 11 PHE CG 1 1
1 178 1 1 10 PHE CZ C -2.892 3.480 3.902 1.00 . A A . 11 PHE CZ 1 1
1 179 1 1 10 PHE H H -5.485 0.529 -1.897 1.00 . A A . 11 PHE H 1 1
1 180 1 1 10 PHE HA H -4.903 3.085 -0.572 1.00 . A A . 11 PHE HA 1 1
1 181 1 1 10 PHE HB2 H -5.880 1.314 0.953 1.00 . A A . 11 PHE HB2 1 1
1 182 1 1 10 PHE HB3 H -4.413 0.384 0.676 1.00 . A A . 11 PHE HB3 1 1
1 183 1 1 10 PHE HD1 H -2.209 2.039 0.940 1.00 . A A . 11 PHE HD1 1 1
1 184 1 1 10 PHE HD2 H -5.936 2.381 2.966 1.00 . A A . 11 PHE HD2 1 1
1 185 1 1 10 PHE HE1 H -1.096 3.235 2.775 1.00 . A A . 11 PHE HE1 1 1
1 186 1 1 10 PHE HE2 H -4.826 3.578 4.804 1.00 . A A . 11 PHE HE2 1 1
1 187 1 1 10 PHE HZ H -2.404 4.003 4.708 1.00 . A A . 11 PHE HZ 1 1
1 188 1 1 10 PHE N N -5.625 1.447 -1.596 1.00 . A A . 11 PHE N 1 1
1 189 1 1 10 PHE O O -2.785 0.643 -1.168 1.00 . A A . 11 PHE O 1 1
1 190 1 1 11 THR C C -0.205 3.407 -0.976 1.00 . A A . 12 THR C 1 1
1 191 1 1 11 THR CA C -1.082 2.645 -1.966 1.00 . A A . 12 THR CA 1 1
1 192 1 1 11 THR CB C -0.788 3.130 -3.402 1.00 . A A . 12 THR CB 1 1
1 193 1 1 11 THR CG2 C 0.700 3.049 -3.727 1.00 . A A . 12 THR CG2 1 1
1 194 1 1 11 THR H H -2.884 3.700 -1.807 1.00 . A A . 12 THR H 1 1
1 195 1 1 11 THR HA H -0.852 1.591 -1.908 1.00 . A A . 12 THR HA 1 1
1 196 1 1 11 THR HB H -1.102 4.162 -3.483 1.00 . A A . 12 THR HB 1 1
1 197 1 1 11 THR HG1 H -2.430 2.709 -4.417 1.00 . A A . 12 THR HG1 1 1
1 198 1 1 11 THR HG21 H 0.859 3.329 -4.758 1.00 . A A . 12 THR HG21 1 1
1 199 1 1 11 THR HG22 H 1.051 2.042 -3.567 1.00 . A A . 12 THR HG22 1 1
1 200 1 1 11 THR HG23 H 1.244 3.726 -3.086 1.00 . A A . 12 THR HG23 1 1
1 201 1 1 11 THR N N -2.487 2.822 -1.638 1.00 . A A . 12 THR N 1 1
1 202 1 1 11 THR O O -0.384 4.611 -0.780 1.00 . A A . 12 THR O 1 1
1 203 1 1 11 THR OG1 O -1.535 2.344 -4.338 1.00 . A A . 12 THR OG1 1 1
1 204 1 1 12 SER C C 3.085 3.003 0.238 1.00 . A A . 13 SER C 1 1
1 205 1 1 12 SER CA C 1.633 3.338 0.599 1.00 . A A . 13 SER CA 1 1
1 206 1 1 12 SER CB C 1.323 2.888 2.031 1.00 . A A . 13 SER CB 1 1
1 207 1 1 12 SER H H 0.787 1.740 -0.491 1.00 . A A . 13 SER H 1 1
1 208 1 1 12 SER HA H 1.485 4.405 0.530 1.00 . A A . 13 SER HA 1 1
1 209 1 1 12 SER HB2 H 0.296 3.128 2.265 1.00 . A A . 13 SER HB2 1 1
1 210 1 1 12 SER HB3 H 1.468 1.822 2.109 1.00 . A A . 13 SER HB3 1 1
1 211 1 1 12 SER HG H 2.040 4.491 2.925 1.00 . A A . 13 SER HG 1 1
1 212 1 1 12 SER N N 0.720 2.705 -0.336 1.00 . A A . 13 SER N 1 1
1 213 1 1 12 SER O O 3.511 1.852 0.354 1.00 . A A . 13 SER O 1 1
1 214 1 1 12 SER OG O 2.163 3.534 2.976 1.00 . A A . 13 SER OG 1 1
1 215 1 1 13 CYS C C 6.007 4.864 0.355 1.00 . A A . 14 CYS C 1 1
1 216 1 1 13 CYS CA C 5.246 3.855 -0.491 1.00 . A A . 14 CYS CA 1 1
1 217 1 1 13 CYS CB C 5.569 4.078 -1.971 1.00 . A A . 14 CYS CB 1 1
1 218 1 1 13 CYS H H 3.395 4.861 -0.448 1.00 . A A . 14 CYS H 1 1
1 219 1 1 13 CYS HA H 5.541 2.857 -0.205 1.00 . A A . 14 CYS HA 1 1
1 220 1 1 13 CYS HB2 H 5.241 5.066 -2.257 1.00 . A A . 14 CYS HB2 1 1
1 221 1 1 13 CYS HB3 H 6.639 4.007 -2.110 1.00 . A A . 14 CYS HB3 1 1
1 222 1 1 13 CYS N N 3.822 3.999 -0.244 1.00 . A A . 14 CYS N 1 1
1 223 1 1 13 CYS O O 5.849 6.073 0.177 1.00 . A A . 14 CYS O 1 1
1 224 1 1 13 CYS SG S 4.784 2.889 -3.106 1.00 . A A . 14 CYS SG 1 1
1 225 1 1 14 LYS C C 8.961 4.669 2.412 1.00 . A A . 15 LYS C 1 1
1 226 1 1 14 LYS CA C 7.578 5.249 2.151 1.00 . A A . 15 LYS CA 1 1
1 227 1 1 14 LYS CB C 6.846 5.495 3.476 1.00 . A A . 15 LYS CB 1 1
1 228 1 1 14 LYS CD C 7.964 7.720 3.750 1.00 . A A . 15 LYS CD 1 1
1 229 1 1 14 LYS CE C 9.294 8.266 4.245 1.00 . A A . 15 LYS CE 1 1
1 230 1 1 14 LYS CG C 7.622 6.399 4.418 1.00 . A A . 15 LYS CG 1 1
1 231 1 1 14 LYS H H 6.899 3.401 1.384 1.00 . A A . 15 LYS H 1 1
1 232 1 1 14 LYS HA H 7.695 6.192 1.639 1.00 . A A . 15 LYS HA 1 1
1 233 1 1 14 LYS HB2 H 5.891 5.954 3.271 1.00 . A A . 15 LYS HB2 1 1
1 234 1 1 14 LYS HB3 H 6.685 4.548 3.971 1.00 . A A . 15 LYS HB3 1 1
1 235 1 1 14 LYS HD2 H 8.021 7.568 2.682 1.00 . A A . 15 LYS HD2 1 1
1 236 1 1 14 LYS HD3 H 7.186 8.434 3.973 1.00 . A A . 15 LYS HD3 1 1
1 237 1 1 14 LYS HE2 H 9.534 9.158 3.686 1.00 . A A . 15 LYS HE2 1 1
1 238 1 1 14 LYS HE3 H 9.201 8.511 5.293 1.00 . A A . 15 LYS HE3 1 1
1 239 1 1 14 LYS HG2 H 7.021 6.593 5.294 1.00 . A A . 15 LYS HG2 1 1
1 240 1 1 14 LYS HG3 H 8.537 5.904 4.707 1.00 . A A . 15 LYS HG3 1 1
1 241 1 1 14 LYS HZ1 H 10.373 6.582 4.852 1.00 . A A . 15 LYS HZ1 1 1
1 242 1 1 14 LYS HZ2 H 11.321 7.756 4.077 1.00 . A A . 15 LYS HZ2 1 1
1 243 1 1 14 LYS HZ3 H 10.284 6.766 3.169 1.00 . A A . 15 LYS HZ3 1 1
1 244 1 1 14 LYS N N 6.812 4.374 1.283 1.00 . A A . 15 LYS N 1 1
1 245 1 1 14 LYS NZ N 10.394 7.276 4.074 1.00 . A A . 15 LYS NZ 1 1
1 246 1 1 14 LYS O O 9.048 3.544 2.943 1.00 . A A . 15 LYS O 1 1
1 247 1 1 14 LYS OXT O 9.960 5.357 2.105 1.00 . A A . 15 LYS OXT 1 1
1 248 2 2 1 . C1 C 9.365 -2.486 0.099 1.00 . B A . 101 OCA C1 1 1
1 249 2 2 1 . C2 C 8.975 -2.636 1.564 1.00 . B A . 101 OCA C2 1 1
1 250 2 2 1 . C3 C 7.490 -2.905 1.761 1.00 . B A . 101 OCA C3 1 1
1 251 2 2 1 . C4 C 7.202 -3.383 3.175 1.00 . B A . 101 OCA C4 1 1
1 252 2 2 1 . C5 C 5.979 -2.702 3.766 1.00 . B A . 101 OCA C5 1 1
1 253 2 2 1 . C6 C 6.210 -1.212 3.965 1.00 . B A . 101 OCA C6 1 1
1 254 2 2 1 . C7 C 5.451 -0.679 5.172 1.00 . B A . 101 OCA C7 1 1
1 255 2 2 1 . C8 C 5.945 -1.290 6.465 1.00 . B A . 101 OCA C8 1 1
1 256 2 2 1 . H21 H 9.234 -1.725 2.084 1.00 . B A . 101 OCA H21 1 1
1 257 2 2 1 . H22 H 9.533 -3.458 1.984 1.00 . B A . 101 OCA H22 1 1
1 258 2 2 1 . H31 H 7.175 -3.666 1.063 1.00 . B A . 101 OCA H31 1 1
1 259 2 2 1 . H32 H 6.940 -1.993 1.579 1.00 . B A . 101 OCA H32 1 1
1 260 2 2 1 . H41 H 7.031 -4.449 3.155 1.00 . B A . 101 OCA H41 1 1
1 261 2 2 1 . H42 H 8.057 -3.165 3.797 1.00 . B A . 101 OCA H42 1 1
1 262 2 2 1 . H51 H 5.143 -2.842 3.098 1.00 . B A . 101 OCA H51 1 1
1 263 2 2 1 . H52 H 5.757 -3.151 4.723 1.00 . B A . 101 OCA H52 1 1
1 264 2 2 1 . H61 H 7.265 -1.040 4.111 1.00 . B A . 101 OCA H61 1 1
1 265 2 2 1 . H62 H 5.877 -0.686 3.082 1.00 . B A . 101 OCA H62 1 1
1 266 2 2 1 . H71 H 5.585 0.391 5.230 1.00 . B A . 101 OCA H71 1 1
1 267 2 2 1 . H72 H 4.402 -0.912 5.064 1.00 . B A . 101 OCA H72 1 1
1 268 2 2 1 . H81 H 5.111 -1.716 7.005 1.00 . B A . 101 OCA H81 1 1
1 269 2 2 1 . H82 H 6.413 -0.526 7.068 1.00 . B A . 101 OCA H82 1 1
1 270 2 2 1 . H83 H 6.664 -2.066 6.245 1.00 . B A . 101 OCA H83 1 1
1 271 2 2 1 . O1 O 9.658 -3.433 -0.633 1.00 . B A . 101 OCA O1 1 1
2 272 1 1 1 PRO C C 7.220 0.379 -0.264 1.00 . A A . 2 PRO C 1 1
2 273 1 1 1 PRO CA C 8.703 0.043 -0.382 1.00 . A A . 2 PRO CA 1 1
2 274 1 1 1 PRO CB C 9.487 1.264 -0.849 1.00 . A A . 2 PRO CB 1 1
2 275 1 1 1 PRO CD C 9.276 -0.243 -2.723 1.00 . A A . 2 PRO CD 1 1
2 276 1 1 1 PRO CG C 9.421 1.210 -2.340 1.00 . A A . 2 PRO CG 1 1
2 277 1 1 1 PRO HA H 9.081 -0.293 0.572 1.00 . A A . 2 PRO HA 1 1
2 278 1 1 1 PRO HB2 H 9.024 2.162 -0.464 1.00 . A A . 2 PRO HB2 1 1
2 279 1 1 1 PRO HB3 H 10.506 1.197 -0.499 1.00 . A A . 2 PRO HB3 1 1
2 280 1 1 1 PRO HD2 H 8.465 -0.367 -3.423 1.00 . A A . 2 PRO HD2 1 1
2 281 1 1 1 PRO HD3 H 10.198 -0.612 -3.146 1.00 . A A . 2 PRO HD3 1 1
2 282 1 1 1 PRO HG2 H 8.565 1.772 -2.687 1.00 . A A . 2 PRO HG2 1 1
2 283 1 1 1 PRO HG3 H 10.330 1.618 -2.758 1.00 . A A . 2 PRO HG3 1 1
2 284 1 1 1 PRO N N 8.973 -0.925 -1.450 1.00 . A A . 2 PRO N 1 1
2 285 1 1 1 PRO O O 6.817 1.191 0.564 1.00 . A A . 2 PRO O 1 1
2 286 1 1 2 CYS C C 4.201 -1.143 -0.565 1.00 . A A . 3 CYS C 1 1
2 287 1 1 2 CYS CA C 4.993 0.035 -1.128 1.00 . A A . 3 CYS CA 1 1
2 288 1 1 2 CYS CB C 4.556 0.338 -2.562 1.00 . A A . 3 CYS CB 1 1
2 289 1 1 2 CYS H H 6.778 -0.933 -1.699 1.00 . A A . 3 CYS H 1 1
2 290 1 1 2 CYS HA H 4.822 0.909 -0.516 1.00 . A A . 3 CYS HA 1 1
2 291 1 1 2 CYS HB2 H 4.674 -0.551 -3.161 1.00 . A A . 3 CYS HB2 1 1
2 292 1 1 2 CYS HB3 H 3.519 0.634 -2.561 1.00 . A A . 3 CYS HB3 1 1
2 293 1 1 2 CYS N N 6.413 -0.253 -1.096 1.00 . A A . 3 CYS N 1 1
2 294 1 1 2 CYS O O 4.295 -2.262 -1.074 1.00 . A A . 3 CYS O 1 1
2 295 1 1 2 CYS SG S 5.515 1.672 -3.361 1.00 . A A . 3 CYS SG 1 1
2 296 1 1 3 LYS C C 1.156 -1.637 0.865 1.00 . A A . 4 LYS C 1 1
2 297 1 1 3 LYS CA C 2.627 -1.926 1.110 1.00 . A A . 4 LYS CA 1 1
2 298 1 1 3 LYS CB C 2.888 -1.995 2.616 1.00 . A A . 4 LYS CB 1 1
2 299 1 1 3 LYS CD C 2.896 -4.503 2.768 1.00 . A A . 4 LYS CD 1 1
2 300 1 1 3 LYS CE C 2.303 -5.729 3.445 1.00 . A A . 4 LYS CE 1 1
2 301 1 1 3 LYS CG C 2.269 -3.218 3.282 1.00 . A A . 4 LYS CG 1 1
2 302 1 1 3 LYS H H 3.404 0.021 0.857 1.00 . A A . 4 LYS H 1 1
2 303 1 1 3 LYS HA H 2.885 -2.873 0.655 1.00 . A A . 4 LYS HA 1 1
2 304 1 1 3 LYS HB2 H 3.950 -2.017 2.788 1.00 . A A . 4 LYS HB2 1 1
2 305 1 1 3 LYS HB3 H 2.477 -1.113 3.083 1.00 . A A . 4 LYS HB3 1 1
2 306 1 1 3 LYS HD2 H 2.721 -4.575 1.705 1.00 . A A . 4 LYS HD2 1 1
2 307 1 1 3 LYS HD3 H 3.959 -4.475 2.958 1.00 . A A . 4 LYS HD3 1 1
2 308 1 1 3 LYS HE2 H 2.850 -6.601 3.117 1.00 . A A . 4 LYS HE2 1 1
2 309 1 1 3 LYS HE3 H 2.410 -5.619 4.515 1.00 . A A . 4 LYS HE3 1 1
2 310 1 1 3 LYS HG2 H 2.424 -3.154 4.348 1.00 . A A . 4 LYS HG2 1 1
2 311 1 1 3 LYS HG3 H 1.212 -3.233 3.070 1.00 . A A . 4 LYS HG3 1 1
2 312 1 1 3 LYS HZ1 H 0.748 -6.193 2.119 1.00 . A A . 4 LYS HZ1 1 1
2 313 1 1 3 LYS HZ2 H 0.342 -5.033 3.279 1.00 . A A . 4 LYS HZ2 1 1
2 314 1 1 3 LYS HZ3 H 0.454 -6.661 3.723 1.00 . A A . 4 LYS HZ3 1 1
2 315 1 1 3 LYS N N 3.437 -0.890 0.492 1.00 . A A . 4 LYS N 1 1
2 316 1 1 3 LYS NZ N 0.863 -5.914 3.117 1.00 . A A . 4 LYS NZ 1 1
2 317 1 1 3 LYS O O 0.638 -0.607 1.300 1.00 . A A . 4 LYS O 1 1
2 318 1 1 4 ASN C C -1.737 -3.377 0.716 1.00 . A A . 5 ASN C 1 1
2 319 1 1 4 ASN CA C -0.937 -2.347 -0.086 1.00 . A A . 5 ASN CA 1 1
2 320 1 1 4 ASN CB C -1.232 -2.513 -1.580 1.00 . A A . 5 ASN CB 1 1
2 321 1 1 4 ASN CG C -0.333 -1.656 -2.461 1.00 . A A . 5 ASN CG 1 1
2 322 1 1 4 ASN H H 0.943 -3.331 -0.181 1.00 . A A . 5 ASN H 1 1
2 323 1 1 4 ASN HA H -1.201 -1.346 0.215 1.00 . A A . 5 ASN HA 1 1
2 324 1 1 4 ASN HB2 H -1.092 -3.547 -1.851 1.00 . A A . 5 ASN HB2 1 1
2 325 1 1 4 ASN HB3 H -2.261 -2.233 -1.766 1.00 . A A . 5 ASN HB3 1 1
2 326 1 1 4 ASN HD21 H -1.631 -0.147 -2.407 1.00 . A A . 5 ASN HD21 1 1
2 327 1 1 4 ASN HD22 H -0.197 0.116 -3.343 1.00 . A A . 5 ASN HD22 1 1
2 328 1 1 4 ASN N N 0.480 -2.532 0.169 1.00 . A A . 5 ASN N 1 1
2 329 1 1 4 ASN ND2 N -0.761 -0.440 -2.765 1.00 . A A . 5 ASN ND2 1 1
2 330 1 1 4 ASN O O -1.681 -4.570 0.422 1.00 . A A . 5 ASN O 1 1
2 331 1 1 4 ASN OD1 O 0.741 -2.093 -2.871 1.00 . A A . 5 ASN OD1 1 1
2 332 1 1 5 . C C -4.479 -4.332 1.825 1.00 . A A . 6 O6H C 1 1
2 333 1 1 5 . CA C -3.260 -3.813 2.576 1.00 . A A . 6 O6H CA 1 1
2 334 1 1 5 . CB C -3.680 -3.124 3.881 1.00 . A A . 6 O6H CB 1 1
2 335 1 1 5 . CD1 C -2.225 -1.247 4.713 1.00 . A A . 6 O6H CD1 1 1
2 336 1 1 5 . CD2 C -1.694 -3.463 5.411 1.00 . A A . 6 O6H CD2 1 1
2 337 1 1 5 . CE1 C -1.159 -0.755 5.433 1.00 . A A . 6 O6H CE1 1 1
2 338 1 1 5 . CE2 C -0.622 -2.981 6.138 1.00 . A A . 6 O6H CE2 1 1
2 339 1 1 5 . CF1 C -3.084 -0.291 3.947 1.00 . A A . 6 O6H CF1 1 1
2 340 1 1 5 . CF2 C -1.969 -4.941 5.412 1.00 . A A . 6 O6H CF2 1 1
2 341 1 1 5 . CG C -2.516 -2.606 4.685 1.00 . A A . 6 O6H CG 1 1
2 342 1 1 5 . CH C 0.797 -1.087 6.923 1.00 . A A . 6 O6H CH 1 1
2 343 1 1 5 . CZ C -0.362 -1.624 6.142 1.00 . A A . 6 O6H CZ 1 1
2 344 1 1 5 . H1 H -2.434 -1.971 1.973 1.00 . A A . 6 O6H H1 1 1
2 345 1 1 5 . HA H -2.639 -4.659 2.826 1.00 . A A . 6 O6H HA 1 1
2 346 1 1 5 . HB1 H -4.224 -3.825 4.499 1.00 . A A . 6 O6H HB1 1 1
2 347 1 1 5 . HB2 H -4.318 -2.284 3.650 1.00 . A A . 6 O6H HB2 1 1
2 348 1 1 5 . HE1 H -0.954 0.305 5.441 1.00 . A A . 6 O6H HE1 1 1
2 349 1 1 5 . HE2 H 0.010 -3.660 6.696 1.00 . A A . 6 O6H HE2 1 1
2 350 1 1 5 . HF11 H -4.078 -0.193 4.354 1.00 . A A . 6 O6H HF11 1 1
2 351 1 1 5 . HF12 H -3.226 -0.576 2.915 1.00 . A A . 6 O6H HF12 1 1
2 352 1 1 5 . HF13 H -2.688 0.714 3.915 1.00 . A A . 6 O6H HF13 1 1
2 353 1 1 5 . HF21 H -2.630 -5.253 6.207 1.00 . A A . 6 O6H HF21 1 1
2 354 1 1 5 . HF22 H -2.431 -5.291 4.501 1.00 . A A . 6 O6H HF22 1 1
2 355 1 1 5 . HF23 H -1.079 -5.541 5.529 1.00 . A A . 6 O6H HF23 1 1
2 356 1 1 5 . HH1 H 1.685 -1.697 6.847 1.00 . A A . 6 O6H HH1 1 1
2 357 1 1 5 . HH2 H 0.596 -1.004 7.980 1.00 . A A . 6 O6H HH2 1 1
2 358 1 1 5 . HH3 H 1.103 -0.098 6.612 1.00 . A A . 6 O6H HH3 1 1
2 359 1 1 5 . N N -2.454 -2.924 1.749 1.00 . A A . 6 O6H N 1 1
2 360 1 1 5 . O O -4.858 -5.494 1.963 1.00 . A A . 6 O6H O 1 1
2 361 1 1 6 PHE C C -6.286 -3.982 -1.050 1.00 . A A . 7 PHE C 1 1
2 362 1 1 6 PHE CA C -6.400 -3.760 0.455 1.00 . A A . 7 PHE CA 1 1
2 363 1 1 6 PHE CB C -7.392 -2.623 0.734 1.00 . A A . 7 PHE CB 1 1
2 364 1 1 6 PHE CD1 C -7.454 -2.836 3.241 1.00 . A A . 7 PHE CD1 1 1
2 365 1 1 6 PHE CD2 C -6.998 -0.699 2.288 1.00 . A A . 7 PHE CD2 1 1
2 366 1 1 6 PHE CE1 C -7.342 -2.296 4.508 1.00 . A A . 7 PHE CE1 1 1
2 367 1 1 6 PHE CE2 C -6.888 -0.153 3.550 1.00 . A A . 7 PHE CE2 1 1
2 368 1 1 6 PHE CG C -7.283 -2.042 2.117 1.00 . A A . 7 PHE CG 1 1
2 369 1 1 6 PHE CZ C -7.058 -0.954 4.663 1.00 . A A . 7 PHE CZ 1 1
2 370 1 1 6 PHE H H -4.673 -2.599 0.853 1.00 . A A . 7 PHE H 1 1
2 371 1 1 6 PHE HA H -6.769 -4.664 0.913 1.00 . A A . 7 PHE HA 1 1
2 372 1 1 6 PHE HB2 H -7.220 -1.825 0.027 1.00 . A A . 7 PHE HB2 1 1
2 373 1 1 6 PHE HB3 H -8.400 -2.996 0.608 1.00 . A A . 7 PHE HB3 1 1
2 374 1 1 6 PHE HD1 H -7.676 -3.886 3.121 1.00 . A A . 7 PHE HD1 1 1
2 375 1 1 6 PHE HD2 H -6.865 -0.070 1.418 1.00 . A A . 7 PHE HD2 1 1
2 376 1 1 6 PHE HE1 H -7.476 -2.923 5.377 1.00 . A A . 7 PHE HE1 1 1
2 377 1 1 6 PHE HE2 H -6.665 0.897 3.667 1.00 . A A . 7 PHE HE2 1 1
2 378 1 1 6 PHE HZ H -6.970 -0.530 5.650 1.00 . A A . 7 PHE HZ 1 1
2 379 1 1 6 PHE N N -5.097 -3.461 1.039 1.00 . A A . 7 PHE N 1 1
2 380 1 1 6 PHE O O -7.186 -4.546 -1.669 1.00 . A A . 7 PHE O 1 1
2 381 1 1 7 DTR C C -4.683 -2.349 -3.759 1.00 . A A . 8 DTR C 1 1
2 382 1 1 7 DTR CA C -4.960 -3.686 -3.057 1.00 . A A . 8 DTR CA 1 1
2 383 1 1 7 DTR CB C -3.788 -4.656 -3.273 1.00 . A A . 8 DTR CB 1 1
2 384 1 1 7 DTR CD1 C -4.132 -5.694 -5.587 1.00 . A A . 8 DTR CD1 1 1
2 385 1 1 7 DTR CD2 C -2.412 -4.265 -5.470 1.00 . A A . 8 DTR CD2 1 1
2 386 1 1 7 DTR CE2 C -2.504 -4.747 -6.786 1.00 . A A . 8 DTR CE2 1 1
2 387 1 1 7 DTR CE3 C -1.402 -3.350 -5.158 1.00 . A A . 8 DTR CE3 1 1
2 388 1 1 7 DTR CG C -3.470 -4.875 -4.720 1.00 . A A . 8 DTR CG 1 1
2 389 1 1 7 DTR CH2 C -0.646 -3.447 -7.457 1.00 . A A . 8 DTR CH2 1 1
2 390 1 1 7 DTR CZ2 C -1.626 -4.346 -7.790 1.00 . A A . 8 DTR CZ2 1 1
2 391 1 1 7 DTR CZ3 C -0.527 -2.955 -6.152 1.00 . A A . 8 DTR CZ3 1 1
2 392 1 1 7 DTR H H -4.554 -2.993 -1.109 1.00 . A A . 8 DTR H 1 1
2 393 1 1 7 DTR HA H -5.829 -4.169 -3.486 1.00 . A A . 8 DTR HA 1 1
2 394 1 1 7 DTR HB2 H -2.904 -4.261 -2.793 1.00 . A A . 8 DTR HB2 1 1
2 395 1 1 7 DTR HB3 H -4.035 -5.611 -2.835 1.00 . A A . 8 DTR HB3 1 1
2 396 1 1 7 DTR HD1 H -4.985 -6.303 -5.321 1.00 . A A . 8 DTR HD1 1 1
2 397 1 1 7 DTR HE1 H -3.865 -6.114 -7.630 1.00 . A A . 8 DTR HE1 1 1
2 398 1 1 7 DTR HE3 H -1.295 -2.958 -4.157 1.00 . A A . 8 DTR HE3 1 1
2 399 1 1 7 DTR HH2 H 0.061 -3.113 -8.204 1.00 . A A . 8 DTR HH2 1 1
2 400 1 1 7 DTR HZ2 H -1.717 -4.703 -8.801 1.00 . A A . 8 DTR HZ2 1 1
2 401 1 1 7 DTR HZ3 H 0.260 -2.248 -5.928 1.00 . A A . 8 DTR HZ3 1 1
2 402 1 1 7 DTR N N -5.203 -3.495 -1.638 1.00 . A A . 8 DTR N 1 1
2 403 1 1 7 DTR NE1 N -3.561 -5.618 -6.833 1.00 . A A . 8 DTR NE1 1 1
2 404 1 1 7 DTR O O -3.783 -1.615 -3.354 1.00 . A A . 8 DTR O 1 1
2 405 1 1 8 LYS C C -5.921 0.382 -4.982 1.00 . A A . 9 LYS C 1 1
2 406 1 1 8 LYS CA C -5.204 -0.823 -5.584 1.00 . A A . 9 LYS CA 1 1
2 407 1 1 8 LYS CB C -5.693 -1.040 -7.023 1.00 . A A . 9 LYS CB 1 1
2 408 1 1 8 LYS CD C -3.948 -2.150 -8.456 1.00 . A A . 9 LYS CD 1 1
2 409 1 1 8 LYS CE C -4.204 -1.494 -9.807 1.00 . A A . 9 LYS CE 1 1
2 410 1 1 8 LYS CG C -5.224 -2.337 -7.651 1.00 . A A . 9 LYS CG 1 1
2 411 1 1 8 LYS H H -6.258 -2.560 -5.004 1.00 . A A . 9 LYS H 1 1
2 412 1 1 8 LYS HA H -4.138 -0.642 -5.588 1.00 . A A . 9 LYS HA 1 1
2 413 1 1 8 LYS HB2 H -6.772 -1.029 -7.034 1.00 . A A . 9 LYS HB2 1 1
2 414 1 1 8 LYS HB3 H -5.327 -0.231 -7.636 1.00 . A A . 9 LYS HB3 1 1
2 415 1 1 8 LYS HD2 H -3.268 -1.530 -7.892 1.00 . A A . 9 LYS HD2 1 1
2 416 1 1 8 LYS HD3 H -3.499 -3.117 -8.619 1.00 . A A . 9 LYS HD3 1 1
2 417 1 1 8 LYS HE2 H -3.361 -1.698 -10.451 1.00 . A A . 9 LYS HE2 1 1
2 418 1 1 8 LYS HE3 H -5.092 -1.931 -10.238 1.00 . A A . 9 LYS HE3 1 1
2 419 1 1 8 LYS HG2 H -5.038 -3.055 -6.868 1.00 . A A . 9 LYS HG2 1 1
2 420 1 1 8 LYS HG3 H -6.001 -2.708 -8.304 1.00 . A A . 9 LYS HG3 1 1
2 421 1 1 8 LYS HZ1 H -4.618 0.379 -10.642 1.00 . A A . 9 LYS HZ1 1 1
2 422 1 1 8 LYS HZ2 H -3.507 0.428 -9.367 1.00 . A A . 9 LYS HZ2 1 1
2 423 1 1 8 LYS HZ3 H -5.156 0.213 -9.042 1.00 . A A . 9 LYS HZ3 1 1
2 424 1 1 8 LYS N N -5.470 -2.009 -4.782 1.00 . A A . 9 LYS N 1 1
2 425 1 1 8 LYS NZ N -4.387 -0.018 -9.705 1.00 . A A . 9 LYS NZ 1 1
2 426 1 1 8 LYS O O -5.810 1.501 -5.480 1.00 . A A . 9 LYS O 1 1
2 427 1 1 9 THR C C -6.555 2.065 -2.361 1.00 . A A . 10 THR C 1 1
2 428 1 1 9 THR CA C -7.431 1.178 -3.250 1.00 . A A . 10 THR CA 1 1
2 429 1 1 9 THR CB C -8.544 0.545 -2.392 1.00 . A A . 10 THR CB 1 1
2 430 1 1 9 THR CG2 C -9.611 1.572 -2.036 1.00 . A A . 10 THR CG2 1 1
2 431 1 1 9 THR H H -6.688 -0.775 -3.549 1.00 . A A . 10 THR H 1 1
2 432 1 1 9 THR HA H -7.893 1.785 -4.013 1.00 . A A . 10 THR HA 1 1
2 433 1 1 9 THR HB H -8.106 0.168 -1.480 1.00 . A A . 10 THR HB 1 1
2 434 1 1 9 THR HG1 H -9.314 -1.277 -2.503 1.00 . A A . 10 THR HG1 1 1
2 435 1 1 9 THR HG21 H -9.162 2.378 -1.474 1.00 . A A . 10 THR HG21 1 1
2 436 1 1 9 THR HG22 H -10.378 1.101 -1.438 1.00 . A A . 10 THR HG22 1 1
2 437 1 1 9 THR HG23 H -10.050 1.964 -2.941 1.00 . A A . 10 THR HG23 1 1
2 438 1 1 9 THR N N -6.647 0.139 -3.898 1.00 . A A . 10 THR N 1 1
2 439 1 1 9 THR O O -6.779 3.272 -2.263 1.00 . A A . 10 THR O 1 1
2 440 1 1 9 THR OG1 O -9.142 -0.538 -3.113 1.00 . A A . 10 THR OG1 1 1
2 441 1 1 10 PHE C C -3.225 2.171 -1.331 1.00 . A A . 11 PHE C 1 1
2 442 1 1 10 PHE CA C -4.687 2.181 -0.811 1.00 . A A . 11 PHE CA 1 1
2 443 1 1 10 PHE CB C -4.737 1.492 0.558 1.00 . A A . 11 PHE CB 1 1
2 444 1 1 10 PHE CD1 C -4.961 3.029 2.530 1.00 . A A . 11 PHE CD1 1 1
2 445 1 1 10 PHE CD2 C -2.772 2.351 1.873 1.00 . A A . 11 PHE CD2 1 1
2 446 1 1 10 PHE CE1 C -4.425 3.776 3.559 1.00 . A A . 11 PHE CE1 1 1
2 447 1 1 10 PHE CE2 C -2.230 3.097 2.901 1.00 . A A . 11 PHE CE2 1 1
2 448 1 1 10 PHE CG C -4.144 2.307 1.675 1.00 . A A . 11 PHE CG 1 1
2 449 1 1 10 PHE CZ C -3.058 3.811 3.745 1.00 . A A . 11 PHE CZ 1 1
2 450 1 1 10 PHE H H -5.365 0.526 -1.926 1.00 . A A . 11 PHE H 1 1
2 451 1 1 10 PHE HA H -5.078 3.180 -0.704 1.00 . A A . 11 PHE HA 1 1
2 452 1 1 10 PHE HB2 H -5.766 1.285 0.812 1.00 . A A . 11 PHE HB2 1 1
2 453 1 1 10 PHE HB3 H -4.194 0.559 0.501 1.00 . A A . 11 PHE HB3 1 1
2 454 1 1 10 PHE HD1 H -6.031 3.002 2.389 1.00 . A A . 11 PHE HD1 1 1
2 455 1 1 10 PHE HD2 H -2.123 1.792 1.212 1.00 . A A . 11 PHE HD2 1 1
2 456 1 1 10 PHE HE1 H -5.074 4.334 4.217 1.00 . A A . 11 PHE HE1 1 1
2 457 1 1 10 PHE HE2 H -1.160 3.122 3.045 1.00 . A A . 11 PHE HE2 1 1
2 458 1 1 10 PHE HZ H -2.636 4.393 4.548 1.00 . A A . 11 PHE HZ 1 1
2 459 1 1 10 PHE N N -5.547 1.467 -1.740 1.00 . A A . 11 PHE N 1 1
2 460 1 1 10 PHE O O -2.638 1.091 -1.411 1.00 . A A . 11 PHE O 1 1
2 461 1 1 11 THR C C -0.324 3.966 -1.115 1.00 . A A . 12 THR C 1 1
2 462 1 1 11 THR CA C -1.231 3.305 -2.145 1.00 . A A . 12 THR CA 1 1
2 463 1 1 11 THR CB C -1.076 4.033 -3.494 1.00 . A A . 12 THR CB 1 1
2 464 1 1 11 THR CG2 C -1.719 3.243 -4.623 1.00 . A A . 12 THR CG2 1 1
2 465 1 1 11 THR H H -3.085 4.175 -1.705 1.00 . A A . 12 THR H 1 1
2 466 1 1 11 THR HA H -0.927 2.274 -2.274 1.00 . A A . 12 THR HA 1 1
2 467 1 1 11 THR HB H -0.021 4.142 -3.704 1.00 . A A . 12 THR HB 1 1
2 468 1 1 11 THR HG1 H -1.292 5.819 -2.676 1.00 . A A . 12 THR HG1 1 1
2 469 1 1 11 THR HG21 H -1.593 3.777 -5.553 1.00 . A A . 12 THR HG21 1 1
2 470 1 1 11 THR HG22 H -2.772 3.118 -4.420 1.00 . A A . 12 THR HG22 1 1
2 471 1 1 11 THR HG23 H -1.249 2.273 -4.698 1.00 . A A . 12 THR HG23 1 1
2 472 1 1 11 THR N N -2.613 3.318 -1.701 1.00 . A A . 12 THR N 1 1
2 473 1 1 11 THR O O -0.390 5.179 -0.902 1.00 . A A . 12 THR O 1 1
2 474 1 1 11 THR OG1 O -1.677 5.333 -3.419 1.00 . A A . 12 THR OG1 1 1
2 475 1 1 12 SER C C 2.850 3.215 0.233 1.00 . A A . 13 SER C 1 1
2 476 1 1 12 SER CA C 1.429 3.683 0.535 1.00 . A A . 13 SER CA 1 1
2 477 1 1 12 SER CB C 1.011 3.211 1.927 1.00 . A A . 13 SER CB 1 1
2 478 1 1 12 SER H H 0.501 2.207 -0.658 1.00 . A A . 13 SER H 1 1
2 479 1 1 12 SER HA H 1.390 4.762 0.501 1.00 . A A . 13 SER HA 1 1
2 480 1 1 12 SER HB2 H -0.034 3.434 2.080 1.00 . A A . 13 SER HB2 1 1
2 481 1 1 12 SER HB3 H 1.164 2.145 2.002 1.00 . A A . 13 SER HB3 1 1
2 482 1 1 12 SER HG H 1.226 3.928 3.744 1.00 . A A . 13 SER HG 1 1
2 483 1 1 12 SER N N 0.506 3.168 -0.464 1.00 . A A . 13 SER N 1 1
2 484 1 1 12 SER O O 3.095 2.012 0.126 1.00 . A A . 13 SER O 1 1
2 485 1 1 12 SER OG O 1.766 3.855 2.939 1.00 . A A . 13 SER OG 1 1
2 486 1 1 13 CYS C C 6.113 4.509 0.768 1.00 . A A . 14 CYS C 1 1
2 487 1 1 13 CYS CA C 5.165 3.811 -0.202 1.00 . A A . 14 CYS CA 1 1
2 488 1 1 13 CYS CB C 5.510 4.191 -1.645 1.00 . A A . 14 CYS CB 1 1
2 489 1 1 13 CYS H H 3.544 5.097 0.224 1.00 . A A . 14 CYS H 1 1
2 490 1 1 13 CYS HA H 5.272 2.741 -0.086 1.00 . A A . 14 CYS HA 1 1
2 491 1 1 13 CYS HB2 H 5.382 5.255 -1.768 1.00 . A A . 14 CYS HB2 1 1
2 492 1 1 13 CYS HB3 H 6.541 3.934 -1.840 1.00 . A A . 14 CYS HB3 1 1
2 493 1 1 13 CYS N N 3.783 4.152 0.101 1.00 . A A . 14 CYS N 1 1
2 494 1 1 13 CYS O O 6.266 5.733 0.736 1.00 . A A . 14 CYS O 1 1
2 495 1 1 13 CYS SG S 4.482 3.361 -2.905 1.00 . A A . 14 CYS SG 1 1
2 496 1 1 14 LYS C C 8.454 3.089 3.235 1.00 . A A . 15 LYS C 1 1
2 497 1 1 14 LYS CA C 7.645 4.240 2.643 1.00 . A A . 15 LYS CA 1 1
2 498 1 1 14 LYS CB C 6.885 5.021 3.734 1.00 . A A . 15 LYS CB 1 1
2 499 1 1 14 LYS CD C 6.564 3.638 5.806 1.00 . A A . 15 LYS CD 1 1
2 500 1 1 14 LYS CE C 5.865 2.388 6.307 1.00 . A A . 15 LYS CE 1 1
2 501 1 1 14 LYS CG C 5.907 4.183 4.546 1.00 . A A . 15 LYS CG 1 1
2 502 1 1 14 LYS H H 6.570 2.751 1.604 1.00 . A A . 15 LYS H 1 1
2 503 1 1 14 LYS HA H 8.325 4.914 2.143 1.00 . A A . 15 LYS HA 1 1
2 504 1 1 14 LYS HB2 H 7.603 5.452 4.415 1.00 . A A . 15 LYS HB2 1 1
2 505 1 1 14 LYS HB3 H 6.331 5.820 3.261 1.00 . A A . 15 LYS HB3 1 1
2 506 1 1 14 LYS HD2 H 7.593 3.398 5.587 1.00 . A A . 15 LYS HD2 1 1
2 507 1 1 14 LYS HD3 H 6.525 4.393 6.577 1.00 . A A . 15 LYS HD3 1 1
2 508 1 1 14 LYS HE2 H 6.386 2.023 7.179 1.00 . A A . 15 LYS HE2 1 1
2 509 1 1 14 LYS HE3 H 4.850 2.641 6.572 1.00 . A A . 15 LYS HE3 1 1
2 510 1 1 14 LYS HG2 H 5.065 4.797 4.825 1.00 . A A . 15 LYS HG2 1 1
2 511 1 1 14 LYS HG3 H 5.570 3.356 3.938 1.00 . A A . 15 LYS HG3 1 1
2 512 1 1 14 LYS HZ1 H 6.720 1.362 4.700 1.00 . A A . 15 LYS HZ1 1 1
2 513 1 1 14 LYS HZ2 H 5.022 1.447 4.642 1.00 . A A . 15 LYS HZ2 1 1
2 514 1 1 14 LYS HZ3 H 5.784 0.388 5.728 1.00 . A A . 15 LYS HZ3 1 1
2 515 1 1 14 LYS N N 6.728 3.723 1.642 1.00 . A A . 15 LYS N 1 1
2 516 1 1 14 LYS NZ N 5.846 1.323 5.273 1.00 . A A . 15 LYS NZ 1 1
2 517 1 1 14 LYS O O 9.690 3.217 3.329 1.00 . A A . 15 LYS O 1 1
2 518 1 1 14 LYS OXT O 7.852 2.037 3.548 1.00 . A A . 15 LYS OXT 1 1
2 519 2 2 1 . C1 C 8.971 -2.268 -1.279 1.00 . B A . 101 OCA C1 1 1
2 520 2 2 1 . C2 C 8.773 -2.639 0.188 1.00 . B A . 101 OCA C2 1 1
2 521 2 2 1 . C3 C 10.079 -2.839 0.965 1.00 . B A . 101 OCA C3 1 1
2 522 2 2 1 . C4 C 11.270 -2.149 0.314 1.00 . B A . 101 OCA C4 1 1
2 523 2 2 1 . C5 C 12.586 -2.686 0.854 1.00 . B A . 101 OCA C5 1 1
2 524 2 2 1 . C6 C 13.362 -3.443 -0.217 1.00 . B A . 101 OCA C6 1 1
2 525 2 2 1 . C7 C 13.086 -4.940 -0.168 1.00 . B A . 101 OCA C7 1 1
2 526 2 2 1 . C8 C 13.585 -5.564 1.116 1.00 . B A . 101 OCA C8 1 1
2 527 2 2 1 . H21 H 8.204 -3.557 0.232 1.00 . B A . 101 OCA H21 1 1
2 528 2 2 1 . H22 H 8.209 -1.850 0.665 1.00 . B A . 101 OCA H22 1 1
2 529 2 2 1 . H31 H 9.950 -2.439 1.959 1.00 . B A . 101 OCA H31 1 1
2 530 2 2 1 . H32 H 10.286 -3.897 1.031 1.00 . B A . 101 OCA H32 1 1
2 531 2 2 1 . H41 H 11.235 -2.317 -0.753 1.00 . B A . 101 OCA H41 1 1
2 532 2 2 1 . H42 H 11.215 -1.088 0.516 1.00 . B A . 101 OCA H42 1 1
2 533 2 2 1 . H51 H 13.187 -1.861 1.202 1.00 . B A . 101 OCA H51 1 1
2 534 2 2 1 . H52 H 12.379 -3.356 1.675 1.00 . B A . 101 OCA H52 1 1
2 535 2 2 1 . H61 H 13.073 -3.065 -1.186 1.00 . B A . 101 OCA H61 1 1
2 536 2 2 1 . H62 H 14.418 -3.278 -0.063 1.00 . B A . 101 OCA H62 1 1
2 537 2 2 1 . H71 H 13.587 -5.419 -0.996 1.00 . B A . 101 OCA H71 1 1
2 538 2 2 1 . H72 H 12.021 -5.105 -0.239 1.00 . B A . 101 OCA H72 1 1
2 539 2 2 1 . H81 H 13.100 -6.517 1.267 1.00 . B A . 101 OCA H81 1 1
2 540 2 2 1 . H82 H 13.359 -4.910 1.944 1.00 . B A . 101 OCA H82 1 1
2 541 2 2 1 . H83 H 14.654 -5.709 1.055 1.00 . B A . 101 OCA H83 1 1
2 542 2 2 1 . O1 O 9.129 -3.094 -2.178 1.00 . B A . 101 OCA O1 1 1
3 543 1 1 1 PRO C C 7.145 0.293 0.013 1.00 . A A . 2 PRO C 1 1
3 544 1 1 1 PRO CA C 8.568 -0.258 0.108 1.00 . A A . 2 PRO CA 1 1
3 545 1 1 1 PRO CB C 9.589 0.841 -0.230 1.00 . A A . 2 PRO CB 1 1
3 546 1 1 1 PRO CD C 9.434 -0.700 -2.089 1.00 . A A . 2 PRO CD 1 1
3 547 1 1 1 PRO CG C 10.247 0.429 -1.517 1.00 . A A . 2 PRO CG 1 1
3 548 1 1 1 PRO HA H 8.744 -0.622 1.109 1.00 . A A . 2 PRO HA 1 1
3 549 1 1 1 PRO HB2 H 9.075 1.785 -0.340 1.00 . A A . 2 PRO HB2 1 1
3 550 1 1 1 PRO HB3 H 10.310 0.915 0.570 1.00 . A A . 2 PRO HB3 1 1
3 551 1 1 1 PRO HD2 H 8.671 -0.324 -2.755 1.00 . A A . 2 PRO HD2 1 1
3 552 1 1 1 PRO HD3 H 10.070 -1.409 -2.596 1.00 . A A . 2 PRO HD3 1 1
3 553 1 1 1 PRO HG2 H 10.257 1.263 -2.204 1.00 . A A . 2 PRO HG2 1 1
3 554 1 1 1 PRO HG3 H 11.255 0.098 -1.318 1.00 . A A . 2 PRO HG3 1 1
3 555 1 1 1 PRO N N 8.840 -1.292 -0.893 1.00 . A A . 2 PRO N 1 1
3 556 1 1 1 PRO O O 6.778 1.221 0.736 1.00 . A A . 2 PRO O 1 1
3 557 1 1 2 CYS C C 4.043 -1.004 -0.562 1.00 . A A . 3 CYS C 1 1
3 558 1 1 2 CYS CA C 4.959 0.122 -1.032 1.00 . A A . 3 CYS CA 1 1
3 559 1 1 2 CYS CB C 4.657 0.473 -2.491 1.00 . A A . 3 CYS CB 1 1
3 560 1 1 2 CYS H H 6.709 -0.982 -1.467 1.00 . A A . 3 CYS H 1 1
3 561 1 1 2 CYS HA H 4.793 0.993 -0.416 1.00 . A A . 3 CYS HA 1 1
3 562 1 1 2 CYS HB2 H 4.728 -0.421 -3.092 1.00 . A A . 3 CYS HB2 1 1
3 563 1 1 2 CYS HB3 H 3.654 0.868 -2.559 1.00 . A A . 3 CYS HB3 1 1
3 564 1 1 2 CYS N N 6.351 -0.276 -0.884 1.00 . A A . 3 CYS N 1 1
3 565 1 1 2 CYS O O 4.040 -2.093 -1.138 1.00 . A A . 3 CYS O 1 1
3 566 1 1 2 CYS SG S 5.791 1.710 -3.210 1.00 . A A . 3 CYS SG 1 1
3 567 1 1 3 LYS C C 0.948 -1.472 0.788 1.00 . A A . 4 LYS C 1 1
3 568 1 1 3 LYS CA C 2.415 -1.783 1.056 1.00 . A A . 4 LYS CA 1 1
3 569 1 1 3 LYS CB C 2.662 -1.935 2.567 1.00 . A A . 4 LYS CB 1 1
3 570 1 1 3 LYS CD C 1.605 -4.243 2.481 1.00 . A A . 4 LYS CD 1 1
3 571 1 1 3 LYS CE C 2.921 -5.001 2.401 1.00 . A A . 4 LYS CE 1 1
3 572 1 1 3 LYS CG C 1.730 -2.933 3.253 1.00 . A A . 4 LYS CG 1 1
3 573 1 1 3 LYS H H 3.275 0.146 0.886 1.00 . A A . 4 LYS H 1 1
3 574 1 1 3 LYS HA H 2.661 -2.715 0.569 1.00 . A A . 4 LYS HA 1 1
3 575 1 1 3 LYS HB2 H 3.681 -2.260 2.726 1.00 . A A . 4 LYS HB2 1 1
3 576 1 1 3 LYS HB3 H 2.524 -0.972 3.037 1.00 . A A . 4 LYS HB3 1 1
3 577 1 1 3 LYS HD2 H 0.879 -4.867 2.977 1.00 . A A . 4 LYS HD2 1 1
3 578 1 1 3 LYS HD3 H 1.265 -4.025 1.479 1.00 . A A . 4 LYS HD3 1 1
3 579 1 1 3 LYS HE2 H 3.708 -4.308 2.150 1.00 . A A . 4 LYS HE2 1 1
3 580 1 1 3 LYS HE3 H 3.123 -5.447 3.363 1.00 . A A . 4 LYS HE3 1 1
3 581 1 1 3 LYS HG2 H 2.112 -3.148 4.238 1.00 . A A . 4 LYS HG2 1 1
3 582 1 1 3 LYS HG3 H 0.750 -2.485 3.338 1.00 . A A . 4 LYS HG3 1 1
3 583 1 1 3 LYS HZ1 H 2.821 -5.652 0.417 1.00 . A A . 4 LYS HZ1 1 1
3 584 1 1 3 LYS HZ2 H 2.024 -6.671 1.510 1.00 . A A . 4 LYS HZ2 1 1
3 585 1 1 3 LYS HZ3 H 3.718 -6.676 1.431 1.00 . A A . 4 LYS HZ3 1 1
3 586 1 1 3 LYS N N 3.276 -0.753 0.489 1.00 . A A . 4 LYS N 1 1
3 587 1 1 3 LYS NZ N 2.869 -6.073 1.371 1.00 . A A . 4 LYS NZ 1 1
3 588 1 1 3 LYS O O 0.437 -0.422 1.179 1.00 . A A . 4 LYS O 1 1
3 589 1 1 4 ASN C C -1.882 -3.362 0.609 1.00 . A A . 5 ASN C 1 1
3 590 1 1 4 ASN CA C -1.135 -2.269 -0.157 1.00 . A A . 5 ASN CA 1 1
3 591 1 1 4 ASN CB C -1.400 -2.425 -1.655 1.00 . A A . 5 ASN CB 1 1
3 592 1 1 4 ASN CG C -0.445 -1.619 -2.513 1.00 . A A . 5 ASN CG 1 1
3 593 1 1 4 ASN H H 0.767 -3.181 -0.232 1.00 . A A . 5 ASN H 1 1
3 594 1 1 4 ASN HA H -1.462 -1.292 0.166 1.00 . A A . 5 ASN HA 1 1
3 595 1 1 4 ASN HB2 H -1.299 -3.466 -1.925 1.00 . A A . 5 ASN HB2 1 1
3 596 1 1 4 ASN HB3 H -2.408 -2.101 -1.872 1.00 . A A . 5 ASN HB3 1 1
3 597 1 1 4 ASN HD21 H -1.665 -0.058 -2.446 1.00 . A A . 5 ASN HD21 1 1
3 598 1 1 4 ASN HD22 H -0.204 0.160 -3.353 1.00 . A A . 5 ASN HD22 1 1
3 599 1 1 4 ASN N N 0.284 -2.394 0.107 1.00 . A A . 5 ASN N 1 1
3 600 1 1 4 ASN ND2 N -0.806 -0.384 -2.800 1.00 . A A . 5 ASN ND2 1 1
3 601 1 1 4 ASN O O -1.753 -4.539 0.280 1.00 . A A . 5 ASN O 1 1
3 602 1 1 4 ASN OD1 O 0.611 -2.105 -2.913 1.00 . A A . 5 ASN OD1 1 1
3 603 1 1 5 . C C -4.544 -4.555 1.659 1.00 . A A . 6 O6H C 1 1
3 604 1 1 5 . CA C -3.373 -3.968 2.437 1.00 . A A . 6 O6H CA 1 1
3 605 1 1 5 . CB C -3.856 -3.375 3.765 1.00 . A A . 6 O6H CB 1 1
3 606 1 1 5 . CD1 C -2.585 -1.520 4.893 1.00 . A A . 6 O6H CD1 1 1
3 607 1 1 5 . CD2 C -1.829 -3.753 5.238 1.00 . A A . 6 O6H CD2 1 1
3 608 1 1 5 . CE1 C -1.563 -1.043 5.689 1.00 . A A . 6 O6H CE1 1 1
3 609 1 1 5 . CE2 C -0.805 -3.288 6.037 1.00 . A A . 6 O6H CE2 1 1
3 610 1 1 5 . CF1 C -3.548 -0.548 4.288 1.00 . A A . 6 O6H CF1 1 1
3 611 1 1 5 . CF2 C -1.958 -5.233 5.012 1.00 . A A . 6 O6H CF2 1 1
3 612 1 1 5 . CG C -2.741 -2.876 4.650 1.00 . A A . 6 O6H CG 1 1
3 613 1 1 5 . CH C 0.435 -1.419 7.121 1.00 . A A . 6 O6H CH 1 1
3 614 1 1 5 . CZ C -0.677 -1.932 6.257 1.00 . A A . 6 O6H CZ 1 1
3 615 1 1 5 . H1 H -2.680 -2.046 1.897 1.00 . A A . 6 O6H H1 1 1
3 616 1 1 5 . HA H -2.688 -4.773 2.659 1.00 . A A . 6 O6H HA 1 1
3 617 1 1 5 . HB1 H -4.399 -4.133 4.310 1.00 . A A . 6 O6H HB1 1 1
3 618 1 1 5 . HB2 H -4.516 -2.546 3.562 1.00 . A A . 6 O6H HB2 1 1
3 619 1 1 5 . HE1 H -1.457 0.017 5.865 1.00 . A A . 6 O6H HE1 1 1
3 620 1 1 5 . HE2 H -0.107 -3.980 6.484 1.00 . A A . 6 O6H HE2 1 1
3 621 1 1 5 . HF11 H -4.436 -0.401 4.883 1.00 . A A . 6 O6H HF11 1 1
3 622 1 1 5 . HF12 H -3.903 -0.849 3.311 1.00 . A A . 6 O6H HF12 1 1
3 623 1 1 5 . HF13 H -3.131 0.436 4.150 1.00 . A A . 6 O6H HF13 1 1
3 624 1 1 5 . HF21 H -1.093 -5.671 4.536 1.00 . A A . 6 O6H HF21 1 1
3 625 1 1 5 . HF22 H -2.095 -5.792 5.924 1.00 . A A . 6 O6H HF22 1 1
3 626 1 1 5 . HF23 H -2.796 -5.500 4.385 1.00 . A A . 6 O6H HF23 1 1
3 627 1 1 5 . HH1 H 1.372 -1.931 6.963 1.00 . A A . 6 O6H HH1 1 1
3 628 1 1 5 . HH2 H 0.234 -1.511 8.177 1.00 . A A . 6 O6H HH2 1 1
3 629 1 1 5 . HH3 H 0.651 -0.373 6.962 1.00 . A A . 6 O6H HH3 1 1
3 630 1 1 5 . N N -2.632 -2.990 1.646 1.00 . A A . 6 O6H N 1 1
3 631 1 1 5 . O O -4.840 -5.745 1.773 1.00 . A A . 6 O6H O 1 1
3 632 1 1 6 PHE C C -6.270 -4.231 -1.266 1.00 . A A . 7 PHE C 1 1
3 633 1 1 6 PHE CA C -6.469 -4.121 0.238 1.00 . A A . 7 PHE CA 1 1
3 634 1 1 6 PHE CB C -7.596 -3.120 0.524 1.00 . A A . 7 PHE CB 1 1
3 635 1 1 6 PHE CD1 C -7.694 -3.219 3.037 1.00 . A A . 7 PHE CD1 1 1
3 636 1 1 6 PHE CD2 C -7.222 -1.126 1.995 1.00 . A A . 7 PHE CD2 1 1
3 637 1 1 6 PHE CE1 C -7.596 -2.622 4.281 1.00 . A A . 7 PHE CE1 1 1
3 638 1 1 6 PHE CE2 C -7.127 -0.524 3.235 1.00 . A A . 7 PHE CE2 1 1
3 639 1 1 6 PHE CG C -7.507 -2.477 1.880 1.00 . A A . 7 PHE CG 1 1
3 640 1 1 6 PHE CZ C -7.311 -1.273 4.380 1.00 . A A . 7 PHE CZ 1 1
3 641 1 1 6 PHE H H -4.904 -2.797 0.781 1.00 . A A . 7 PHE H 1 1
3 642 1 1 6 PHE HA H -6.749 -5.087 0.629 1.00 . A A . 7 PHE HA 1 1
3 643 1 1 6 PHE HB2 H -7.564 -2.336 -0.217 1.00 . A A . 7 PHE HB2 1 1
3 644 1 1 6 PHE HB3 H -8.546 -3.630 0.459 1.00 . A A . 7 PHE HB3 1 1
3 645 1 1 6 PHE HD1 H -7.917 -4.273 2.961 1.00 . A A . 7 PHE HD1 1 1
3 646 1 1 6 PHE HD2 H -7.078 -0.538 1.099 1.00 . A A . 7 PHE HD2 1 1
3 647 1 1 6 PHE HE1 H -7.744 -3.211 5.175 1.00 . A A . 7 PHE HE1 1 1
3 648 1 1 6 PHE HE2 H -6.908 0.532 3.308 1.00 . A A . 7 PHE HE2 1 1
3 649 1 1 6 PHE HZ H -7.231 -0.804 5.350 1.00 . A A . 7 PHE HZ 1 1
3 650 1 1 6 PHE N N -5.231 -3.711 0.896 1.00 . A A . 7 PHE N 1 1
3 651 1 1 6 PHE O O -7.058 -4.864 -1.964 1.00 . A A . 7 PHE O 1 1
3 652 1 1 7 DTR C C -4.756 -2.239 -3.766 1.00 . A A . 8 DTR C 1 1
3 653 1 1 7 DTR CA C -4.893 -3.641 -3.172 1.00 . A A . 8 DTR CA 1 1
3 654 1 1 7 DTR CB C -3.586 -4.431 -3.363 1.00 . A A . 8 DTR CB 1 1
3 655 1 1 7 DTR CD1 C -3.450 -5.837 -5.497 1.00 . A A . 8 DTR CD1 1 1
3 656 1 1 7 DTR CD2 C -2.547 -3.796 -5.697 1.00 . A A . 8 DTR CD2 1 1
3 657 1 1 7 DTR CE2 C -2.418 -4.466 -6.926 1.00 . A A . 8 DTR CE2 1 1
3 658 1 1 7 DTR CE3 C -2.050 -2.494 -5.585 1.00 . A A . 8 DTR CE3 1 1
3 659 1 1 7 DTR CG C -3.220 -4.691 -4.795 1.00 . A A . 8 DTR CG 1 1
3 660 1 1 7 DTR CH2 C -1.336 -2.602 -7.895 1.00 . A A . 8 DTR CH2 1 1
3 661 1 1 7 DTR CZ2 C -1.813 -3.878 -8.033 1.00 . A A . 8 DTR CZ2 1 1
3 662 1 1 7 DTR CZ3 C -1.448 -1.913 -6.683 1.00 . A A . 8 DTR CZ3 1 1
3 663 1 1 7 DTR H H -4.671 -3.048 -1.162 1.00 . A A . 8 DTR H 1 1
3 664 1 1 7 DTR HA H -5.663 -4.200 -3.689 1.00 . A A . 8 DTR HA 1 1
3 665 1 1 7 DTR HB2 H -2.774 -3.877 -2.915 1.00 . A A . 8 DTR HB2 1 1
3 666 1 1 7 DTR HB3 H -3.678 -5.383 -2.864 1.00 . A A . 8 DTR HB3 1 1
3 667 1 1 7 DTR HD1 H -3.937 -6.712 -5.092 1.00 . A A . 8 DTR HD1 1 1
3 668 1 1 7 DTR HE1 H -3.022 -6.405 -7.476 1.00 . A A . 8 DTR HE1 1 1
3 669 1 1 7 DTR HE3 H -2.129 -1.946 -4.658 1.00 . A A . 8 DTR HE3 1 1
3 670 1 1 7 DTR HH2 H -0.856 -2.110 -8.728 1.00 . A A . 8 DTR HH2 1 1
3 671 1 1 7 DTR HZ2 H -1.724 -4.394 -8.975 1.00 . A A . 8 DTR HZ2 1 1
3 672 1 1 7 DTR HZ3 H -1.058 -0.909 -6.612 1.00 . A A . 8 DTR HZ3 1 1
3 673 1 1 7 DTR N N -5.230 -3.581 -1.761 1.00 . A A . 8 DTR N 1 1
3 674 1 1 7 DTR NE1 N -2.973 -5.710 -6.777 1.00 . A A . 8 DTR NE1 1 1
3 675 1 1 7 DTR O O -3.943 -1.448 -3.292 1.00 . A A . 8 DTR O 1 1
3 676 1 1 8 LYS C C -6.095 0.498 -4.891 1.00 . A A . 9 LYS C 1 1
3 677 1 1 8 LYS CA C -5.356 -0.675 -5.525 1.00 . A A . 9 LYS CA 1 1
3 678 1 1 8 LYS CB C -5.828 -0.837 -6.979 1.00 . A A . 9 LYS CB 1 1
3 679 1 1 8 LYS CD C -6.486 -3.250 -7.320 1.00 . A A . 9 LYS CD 1 1
3 680 1 1 8 LYS CE C -6.151 -4.543 -8.044 1.00 . A A . 9 LYS CE 1 1
3 681 1 1 8 LYS CG C -5.462 -2.164 -7.629 1.00 . A A . 9 LYS CG 1 1
3 682 1 1 8 LYS H H -6.331 -2.479 -4.992 1.00 . A A . 9 LYS H 1 1
3 683 1 1 8 LYS HA H -4.298 -0.463 -5.520 1.00 . A A . 9 LYS HA 1 1
3 684 1 1 8 LYS HB2 H -6.902 -0.734 -7.006 1.00 . A A . 9 LYS HB2 1 1
3 685 1 1 8 LYS HB3 H -5.387 -0.047 -7.569 1.00 . A A . 9 LYS HB3 1 1
3 686 1 1 8 LYS HD2 H -6.495 -3.434 -6.256 1.00 . A A . 9 LYS HD2 1 1
3 687 1 1 8 LYS HD3 H -7.462 -2.914 -7.637 1.00 . A A . 9 LYS HD3 1 1
3 688 1 1 8 LYS HE2 H -6.169 -4.359 -9.108 1.00 . A A . 9 LYS HE2 1 1
3 689 1 1 8 LYS HE3 H -5.163 -4.855 -7.752 1.00 . A A . 9 LYS HE3 1 1
3 690 1 1 8 LYS HG2 H -5.412 -2.026 -8.699 1.00 . A A . 9 LYS HG2 1 1
3 691 1 1 8 LYS HG3 H -4.497 -2.478 -7.259 1.00 . A A . 9 LYS HG3 1 1
3 692 1 1 8 LYS HZ1 H -6.867 -6.493 -8.255 1.00 . A A . 9 LYS HZ1 1 1
3 693 1 1 8 LYS HZ2 H -8.083 -5.341 -7.990 1.00 . A A . 9 LYS HZ2 1 1
3 694 1 1 8 LYS HZ3 H -7.096 -5.844 -6.706 1.00 . A A . 9 LYS HZ3 1 1
3 695 1 1 8 LYS N N -5.574 -1.902 -4.762 1.00 . A A . 9 LYS N 1 1
3 696 1 1 8 LYS NZ N -7.116 -5.629 -7.728 1.00 . A A . 9 LYS NZ 1 1
3 697 1 1 8 LYS O O -6.010 1.632 -5.367 1.00 . A A . 9 LYS O 1 1
3 698 1 1 9 THR C C -6.661 2.065 -2.190 1.00 . A A . 10 THR C 1 1
3 699 1 1 9 THR CA C -7.571 1.247 -3.115 1.00 . A A . 10 THR CA 1 1
3 700 1 1 9 THR CB C -8.695 0.602 -2.286 1.00 . A A . 10 THR CB 1 1
3 701 1 1 9 THR CG2 C -9.775 1.619 -1.951 1.00 . A A . 10 THR CG2 1 1
3 702 1 1 9 THR H H -6.881 -0.710 -3.513 1.00 . A A . 10 THR H 1 1
3 703 1 1 9 THR HA H -8.017 1.903 -3.849 1.00 . A A . 10 THR HA 1 1
3 704 1 1 9 THR HB H -8.275 0.225 -1.366 1.00 . A A . 10 THR HB 1 1
3 705 1 1 9 THR HG1 H -10.089 -0.198 -3.444 1.00 . A A . 10 THR HG1 1 1
3 706 1 1 9 THR HG21 H -10.200 2.007 -2.864 1.00 . A A . 10 THR HG21 1 1
3 707 1 1 9 THR HG22 H -9.340 2.429 -1.383 1.00 . A A . 10 THR HG22 1 1
3 708 1 1 9 THR HG23 H -10.548 1.143 -1.363 1.00 . A A . 10 THR HG23 1 1
3 709 1 1 9 THR N N -6.820 0.219 -3.820 1.00 . A A . 10 THR N 1 1
3 710 1 1 9 THR O O -6.890 3.255 -1.972 1.00 . A A . 10 THR O 1 1
3 711 1 1 9 THR OG1 O -9.271 -0.487 -3.024 1.00 . A A . 10 THR OG1 1 1
3 712 1 1 10 PHE C C -3.252 1.853 -1.159 1.00 . A A . 11 PHE C 1 1
3 713 1 1 10 PHE CA C -4.723 2.074 -0.717 1.00 . A A . 11 PHE CA 1 1
3 714 1 1 10 PHE CB C -4.924 1.473 0.677 1.00 . A A . 11 PHE CB 1 1
3 715 1 1 10 PHE CD1 C -4.689 3.167 2.518 1.00 . A A . 11 PHE CD1 1 1
3 716 1 1 10 PHE CD2 C -2.819 1.770 2.022 1.00 . A A . 11 PHE CD2 1 1
3 717 1 1 10 PHE CE1 C -3.965 3.783 3.519 1.00 . A A . 11 PHE CE1 1 1
3 718 1 1 10 PHE CE2 C -2.090 2.386 3.021 1.00 . A A . 11 PHE CE2 1 1
3 719 1 1 10 PHE CG C -4.126 2.152 1.758 1.00 . A A . 11 PHE CG 1 1
3 720 1 1 10 PHE CZ C -2.665 3.393 3.772 1.00 . A A . 11 PHE CZ 1 1
3 721 1 1 10 PHE H H -5.451 0.498 -1.914 1.00 . A A . 11 PHE H 1 1
3 722 1 1 10 PHE HA H -4.988 3.121 -0.681 1.00 . A A . 11 PHE HA 1 1
3 723 1 1 10 PHE HB2 H -5.968 1.542 0.943 1.00 . A A . 11 PHE HB2 1 1
3 724 1 1 10 PHE HB3 H -4.634 0.433 0.656 1.00 . A A . 11 PHE HB3 1 1
3 725 1 1 10 PHE HD1 H -5.706 3.474 2.321 1.00 . A A . 11 PHE HD1 1 1
3 726 1 1 10 PHE HD2 H -2.367 0.984 1.434 1.00 . A A . 11 PHE HD2 1 1
3 727 1 1 10 PHE HE1 H -4.414 4.572 4.105 1.00 . A A . 11 PHE HE1 1 1
3 728 1 1 10 PHE HE2 H -1.072 2.080 3.215 1.00 . A A . 11 PHE HE2 1 1
3 729 1 1 10 PHE HZ H -2.099 3.872 4.556 1.00 . A A . 11 PHE HZ 1 1
3 730 1 1 10 PHE N N -5.627 1.424 -1.656 1.00 . A A . 11 PHE N 1 1
3 731 1 1 10 PHE O O -2.820 0.699 -1.193 1.00 . A A . 11 PHE O 1 1
3 732 1 1 11 THR C C -0.201 3.690 -1.056 1.00 . A A . 12 THR C 1 1
3 733 1 1 11 THR CA C -1.069 2.690 -1.823 1.00 . A A . 12 THR CA 1 1
3 734 1 1 11 THR CB C -0.793 2.778 -3.346 1.00 . A A . 12 THR CB 1 1
3 735 1 1 11 THR CG2 C -1.166 4.142 -3.913 1.00 . A A . 12 THR CG2 1 1
3 736 1 1 11 THR H H -2.830 3.801 -1.602 1.00 . A A . 12 THR H 1 1
3 737 1 1 11 THR HA H -0.808 1.693 -1.495 1.00 . A A . 12 THR HA 1 1
3 738 1 1 11 THR HB H -1.398 2.029 -3.839 1.00 . A A . 12 THR HB 1 1
3 739 1 1 11 THR HG1 H 0.824 2.840 -4.492 1.00 . A A . 12 THR HG1 1 1
3 740 1 1 11 THR HG21 H -0.587 4.908 -3.418 1.00 . A A . 12 THR HG21 1 1
3 741 1 1 11 THR HG22 H -2.219 4.325 -3.751 1.00 . A A . 12 THR HG22 1 1
3 742 1 1 11 THR HG23 H -0.956 4.161 -4.973 1.00 . A A . 12 THR HG23 1 1
3 743 1 1 11 THR N N -2.473 2.896 -1.519 1.00 . A A . 12 THR N 1 1
3 744 1 1 11 THR O O -0.408 4.904 -1.123 1.00 . A A . 12 THR O 1 1
3 745 1 1 11 THR OG1 O 0.585 2.496 -3.614 1.00 . A A . 12 THR OG1 1 1
3 746 1 1 12 SER C C 3.091 3.512 0.259 1.00 . A A . 13 SER C 1 1
3 747 1 1 12 SER CA C 1.658 3.999 0.473 1.00 . A A . 13 SER CA 1 1
3 748 1 1 12 SER CB C 1.308 3.987 1.960 1.00 . A A . 13 SER CB 1 1
3 749 1 1 12 SER H H 0.787 2.193 -0.184 1.00 . A A . 13 SER H 1 1
3 750 1 1 12 SER HA H 1.565 5.006 0.100 1.00 . A A . 13 SER HA 1 1
3 751 1 1 12 SER HB2 H 1.349 2.974 2.332 1.00 . A A . 13 SER HB2 1 1
3 752 1 1 12 SER HB3 H 2.013 4.599 2.501 1.00 . A A . 13 SER HB3 1 1
3 753 1 1 12 SER HG H -0.361 4.783 1.324 1.00 . A A . 13 SER HG 1 1
3 754 1 1 12 SER N N 0.726 3.167 -0.268 1.00 . A A . 13 SER N 1 1
3 755 1 1 12 SER O O 3.376 2.326 0.426 1.00 . A A . 13 SER O 1 1
3 756 1 1 12 SER OG O 0.005 4.497 2.167 1.00 . A A . 13 SER OG 1 1
3 757 1 1 13 CYS C C 6.290 4.813 0.613 1.00 . A A . 14 CYS C 1 1
3 758 1 1 13 CYS CA C 5.373 4.073 -0.349 1.00 . A A . 14 CYS CA 1 1
3 759 1 1 13 CYS CB C 5.755 4.391 -1.795 1.00 . A A . 14 CYS CB 1 1
3 760 1 1 13 CYS H H 3.713 5.361 -0.199 1.00 . A A . 14 CYS H 1 1
3 761 1 1 13 CYS HA H 5.480 3.011 -0.184 1.00 . A A . 14 CYS HA 1 1
3 762 1 1 13 CYS HB2 H 5.603 5.444 -1.978 1.00 . A A . 14 CYS HB2 1 1
3 763 1 1 13 CYS HB3 H 6.797 4.150 -1.946 1.00 . A A . 14 CYS HB3 1 1
3 764 1 1 13 CYS N N 3.986 4.425 -0.103 1.00 . A A . 14 CYS N 1 1
3 765 1 1 13 CYS O O 6.234 6.039 0.720 1.00 . A A . 14 CYS O 1 1
3 766 1 1 13 CYS SG S 4.785 3.464 -3.032 1.00 . A A . 14 CYS SG 1 1
3 767 1 1 14 LYS C C 9.307 3.750 2.301 1.00 . A A . 15 LYS C 1 1
3 768 1 1 14 LYS CA C 8.068 4.636 2.253 1.00 . A A . 15 LYS CA 1 1
3 769 1 1 14 LYS CB C 7.435 4.768 3.650 1.00 . A A . 15 LYS CB 1 1
3 770 1 1 14 LYS CD C 9.526 5.328 5.004 1.00 . A A . 15 LYS CD 1 1
3 771 1 1 14 LYS CE C 9.508 4.219 6.054 1.00 . A A . 15 LYS CE 1 1
3 772 1 1 14 LYS CG C 8.126 5.768 4.578 1.00 . A A . 15 LYS CG 1 1
3 773 1 1 14 LYS H H 7.082 3.083 1.214 1.00 . A A . 15 LYS H 1 1
3 774 1 1 14 LYS HA H 8.347 5.615 1.890 1.00 . A A . 15 LYS HA 1 1
3 775 1 1 14 LYS HB2 H 6.407 5.079 3.534 1.00 . A A . 15 LYS HB2 1 1
3 776 1 1 14 LYS HB3 H 7.453 3.800 4.127 1.00 . A A . 15 LYS HB3 1 1
3 777 1 1 14 LYS HD2 H 10.054 4.968 4.134 1.00 . A A . 15 LYS HD2 1 1
3 778 1 1 14 LYS HD3 H 10.049 6.183 5.410 1.00 . A A . 15 LYS HD3 1 1
3 779 1 1 14 LYS HE2 H 10.522 4.029 6.368 1.00 . A A . 15 LYS HE2 1 1
3 780 1 1 14 LYS HE3 H 8.930 4.558 6.900 1.00 . A A . 15 LYS HE3 1 1
3 781 1 1 14 LYS HG2 H 8.209 6.715 4.068 1.00 . A A . 15 LYS HG2 1 1
3 782 1 1 14 LYS HG3 H 7.519 5.893 5.463 1.00 . A A . 15 LYS HG3 1 1
3 783 1 1 14 LYS HZ1 H 9.318 2.722 4.603 1.00 . A A . 15 LYS HZ1 1 1
3 784 1 1 14 LYS HZ2 H 7.891 3.036 5.458 1.00 . A A . 15 LYS HZ2 1 1
3 785 1 1 14 LYS HZ3 H 9.135 2.164 6.193 1.00 . A A . 15 LYS HZ3 1 1
3 786 1 1 14 LYS N N 7.114 4.061 1.321 1.00 . A A . 15 LYS N 1 1
3 787 1 1 14 LYS NZ N 8.921 2.950 5.543 1.00 . A A . 15 LYS NZ 1 1
3 788 1 1 14 LYS O O 9.246 2.683 2.946 1.00 . A A . 15 LYS O 1 1
3 789 1 1 14 LYS OXT O 10.330 4.119 1.696 1.00 . A A . 15 LYS OXT 1 1
3 790 2 2 1 . C1 C 8.597 -2.611 -0.720 1.00 . B A . 101 OCA C1 1 1
3 791 2 2 1 . C2 C 8.044 -2.885 0.673 1.00 . B A . 101 OCA C2 1 1
3 792 2 2 1 . C3 C 9.129 -3.178 1.697 1.00 . B A . 101 OCA C3 1 1
3 793 2 2 1 . C4 C 9.678 -4.587 1.537 1.00 . B A . 101 OCA C4 1 1
3 794 2 2 1 . C5 C 10.375 -5.065 2.799 1.00 . B A . 101 OCA C5 1 1
3 795 2 2 1 . C6 C 9.565 -6.140 3.509 1.00 . B A . 101 OCA C6 1 1
3 796 2 2 1 . C7 C 8.705 -5.561 4.623 1.00 . B A . 101 OCA C7 1 1
3 797 2 2 1 . C8 C 9.541 -4.927 5.713 1.00 . B A . 101 OCA C8 1 1
3 798 2 2 1 . H21 H 7.382 -3.738 0.618 1.00 . B A . 101 OCA H21 1 1
3 799 2 2 1 . H22 H 7.486 -2.018 0.996 1.00 . B A . 101 OCA H22 1 1
3 800 2 2 1 . H31 H 9.933 -2.471 1.566 1.00 . B A . 101 OCA H31 1 1
3 801 2 2 1 . H32 H 8.711 -3.075 2.687 1.00 . B A . 101 OCA H32 1 1
3 802 2 2 1 . H41 H 8.862 -5.258 1.314 1.00 . B A . 101 OCA H41 1 1
3 803 2 2 1 . H42 H 10.386 -4.596 0.722 1.00 . B A . 101 OCA H42 1 1
3 804 2 2 1 . H51 H 11.340 -5.473 2.536 1.00 . B A . 101 OCA H51 1 1
3 805 2 2 1 . H52 H 10.506 -4.228 3.468 1.00 . B A . 101 OCA H52 1 1
3 806 2 2 1 . H61 H 8.923 -6.625 2.789 1.00 . B A . 101 OCA H61 1 1
3 807 2 2 1 . H62 H 10.244 -6.863 3.933 1.00 . B A . 101 OCA H62 1 1
3 808 2 2 1 . H71 H 8.116 -6.353 5.062 1.00 . B A . 101 OCA H71 1 1
3 809 2 2 1 . H72 H 8.053 -4.806 4.209 1.00 . B A . 101 OCA H72 1 1
3 810 2 2 1 . H81 H 9.792 -3.913 5.433 1.00 . B A . 101 OCA H81 1 1
3 811 2 2 1 . H82 H 10.449 -5.498 5.844 1.00 . B A . 101 OCA H82 1 1
3 812 2 2 1 . H83 H 8.983 -4.919 6.638 1.00 . B A . 101 OCA H83 1 1
3 813 2 2 1 . O1 O 8.839 -3.490 -1.548 1.00 . B A . 101 OCA O1 1 1
4 814 1 1 1 PRO C C 7.354 0.308 -0.039 1.00 . A A . 2 PRO C 1 1
4 815 1 1 1 PRO CA C 8.820 -0.127 0.009 1.00 . A A . 2 PRO CA 1 1
4 816 1 1 1 PRO CB C 9.713 0.957 -0.579 1.00 . A A . 2 PRO CB 1 1
4 817 1 1 1 PRO CD C 9.671 -0.866 -2.149 1.00 . A A . 2 PRO CD 1 1
4 818 1 1 1 PRO CG C 9.787 0.632 -2.033 1.00 . A A . 2 PRO CG 1 1
4 819 1 1 1 PRO HA H 9.105 -0.309 1.035 1.00 . A A . 2 PRO HA 1 1
4 820 1 1 1 PRO HB2 H 9.265 1.925 -0.411 1.00 . A A . 2 PRO HB2 1 1
4 821 1 1 1 PRO HB3 H 10.688 0.919 -0.116 1.00 . A A . 2 PRO HB3 1 1
4 822 1 1 1 PRO HD2 H 8.997 -1.127 -2.952 1.00 . A A . 2 PRO HD2 1 1
4 823 1 1 1 PRO HD3 H 10.643 -1.305 -2.318 1.00 . A A . 2 PRO HD3 1 1
4 824 1 1 1 PRO HG2 H 8.973 1.110 -2.555 1.00 . A A . 2 PRO HG2 1 1
4 825 1 1 1 PRO HG3 H 10.735 0.964 -2.432 1.00 . A A . 2 PRO HG3 1 1
4 826 1 1 1 PRO N N 9.120 -1.286 -0.846 1.00 . A A . 2 PRO N 1 1
4 827 1 1 1 PRO O O 6.918 1.139 0.759 1.00 . A A . 2 PRO O 1 1
4 828 1 1 2 CYS C C 4.321 -1.058 -0.649 1.00 . A A . 3 CYS C 1 1
4 829 1 1 2 CYS CA C 5.190 0.105 -1.109 1.00 . A A . 3 CYS CA 1 1
4 830 1 1 2 CYS CB C 4.865 0.440 -2.573 1.00 . A A . 3 CYS CB 1 1
4 831 1 1 2 CYS H H 6.979 -0.933 -1.563 1.00 . A A . 3 CYS H 1 1
4 832 1 1 2 CYS HA H 4.994 0.966 -0.489 1.00 . A A . 3 CYS HA 1 1
4 833 1 1 2 CYS HB2 H 4.719 -0.481 -3.116 1.00 . A A . 3 CYS HB2 1 1
4 834 1 1 2 CYS HB3 H 3.947 1.012 -2.604 1.00 . A A . 3 CYS HB3 1 1
4 835 1 1 2 CYS N N 6.592 -0.258 -0.962 1.00 . A A . 3 CYS N 1 1
4 836 1 1 2 CYS O O 4.443 -2.168 -1.164 1.00 . A A . 3 CYS O 1 1
4 837 1 1 2 CYS SG S 6.145 1.399 -3.461 1.00 . A A . 3 CYS SG 1 1
4 838 1 1 3 LYS C C 1.153 -1.559 0.672 1.00 . A A . 4 LYS C 1 1
4 839 1 1 3 LYS CA C 2.629 -1.864 0.884 1.00 . A A . 4 LYS CA 1 1
4 840 1 1 3 LYS CB C 2.909 -2.041 2.377 1.00 . A A . 4 LYS CB 1 1
4 841 1 1 3 LYS CD C 3.221 -4.519 2.240 1.00 . A A . 4 LYS CD 1 1
4 842 1 1 3 LYS CE C 2.727 -5.892 2.661 1.00 . A A . 4 LYS CE 1 1
4 843 1 1 3 LYS CG C 2.451 -3.389 2.912 1.00 . A A . 4 LYS CG 1 1
4 844 1 1 3 LYS H H 3.369 0.109 0.672 1.00 . A A . 4 LYS H 1 1
4 845 1 1 3 LYS HA H 2.872 -2.782 0.370 1.00 . A A . 4 LYS HA 1 1
4 846 1 1 3 LYS HB2 H 3.970 -1.948 2.548 1.00 . A A . 4 LYS HB2 1 1
4 847 1 1 3 LYS HB3 H 2.393 -1.265 2.924 1.00 . A A . 4 LYS HB3 1 1
4 848 1 1 3 LYS HD2 H 3.108 -4.427 1.171 1.00 . A A . 4 LYS HD2 1 1
4 849 1 1 3 LYS HD3 H 4.267 -4.430 2.497 1.00 . A A . 4 LYS HD3 1 1
4 850 1 1 3 LYS HE2 H 3.388 -6.640 2.249 1.00 . A A . 4 LYS HE2 1 1
4 851 1 1 3 LYS HE3 H 2.746 -5.952 3.740 1.00 . A A . 4 LYS HE3 1 1
4 852 1 1 3 LYS HG2 H 2.631 -3.425 3.978 1.00 . A A . 4 LYS HG2 1 1
4 853 1 1 3 LYS HG3 H 1.392 -3.510 2.716 1.00 . A A . 4 LYS HG3 1 1
4 854 1 1 3 LYS HZ1 H 1.146 -7.181 2.215 1.00 . A A . 4 LYS HZ1 1 1
4 855 1 1 3 LYS HZ2 H 1.227 -5.816 1.207 1.00 . A A . 4 LYS HZ2 1 1
4 856 1 1 3 LYS HZ3 H 0.658 -5.667 2.800 1.00 . A A . 4 LYS HZ3 1 1
4 857 1 1 3 LYS N N 3.460 -0.807 0.327 1.00 . A A . 4 LYS N 1 1
4 858 1 1 3 LYS NZ N 1.345 -6.155 2.186 1.00 . A A . 4 LYS NZ 1 1
4 859 1 1 3 LYS O O 0.668 -0.484 1.031 1.00 . A A . 4 LYS O 1 1
4 860 1 1 4 ASN C C -1.755 -3.388 0.688 1.00 . A A . 5 ASN C 1 1
4 861 1 1 4 ASN CA C -0.982 -2.365 -0.149 1.00 . A A . 5 ASN CA 1 1
4 862 1 1 4 ASN CB C -1.302 -2.587 -1.625 1.00 . A A . 5 ASN CB 1 1
4 863 1 1 4 ASN CG C -0.467 -1.732 -2.562 1.00 . A A . 5 ASN CG 1 1
4 864 1 1 4 ASN H H 0.892 -3.338 -0.196 1.00 . A A . 5 ASN H 1 1
4 865 1 1 4 ASN HA H -1.269 -1.362 0.129 1.00 . A A . 5 ASN HA 1 1
4 866 1 1 4 ASN HB2 H -1.129 -3.620 -1.863 1.00 . A A . 5 ASN HB2 1 1
4 867 1 1 4 ASN HB3 H -2.344 -2.357 -1.792 1.00 . A A . 5 ASN HB3 1 1
4 868 1 1 4 ASN HD21 H -1.896 -0.354 -2.649 1.00 . A A . 5 ASN HD21 1 1
4 869 1 1 4 ASN HD22 H -0.477 -0.039 -3.590 1.00 . A A . 5 ASN HD22 1 1
4 870 1 1 4 ASN N N 0.442 -2.510 0.089 1.00 . A A . 5 ASN N 1 1
4 871 1 1 4 ASN ND2 N -0.997 -0.592 -2.970 1.00 . A A . 5 ASN ND2 1 1
4 872 1 1 4 ASN O O -1.665 -4.589 0.429 1.00 . A A . 5 ASN O 1 1
4 873 1 1 4 ASN OD1 O 0.643 -2.109 -2.935 1.00 . A A . 5 ASN OD1 1 1
4 874 1 1 5 . C C -4.462 -4.394 1.793 1.00 . A A . 6 O6H C 1 1
4 875 1 1 5 . CA C -3.261 -3.837 2.550 1.00 . A A . 6 O6H CA 1 1
4 876 1 1 5 . CB C -3.759 -3.118 3.810 1.00 . A A . 6 O6H CB 1 1
4 877 1 1 5 . CD1 C -2.210 -1.239 4.480 1.00 . A A . 6 O6H CD1 1 1
4 878 1 1 5 . CD2 C -2.100 -3.278 5.708 1.00 . A A . 6 O6H CD2 1 1
4 879 1 1 5 . CE1 C -1.219 -0.699 5.269 1.00 . A A . 6 O6H CE1 1 1
4 880 1 1 5 . CE2 C -1.104 -2.746 6.507 1.00 . A A . 6 O6H CE2 1 1
4 881 1 1 5 . CF1 C -2.800 -0.399 3.391 1.00 . A A . 6 O6H CF1 1 1
4 882 1 1 5 . CF2 C -2.576 -4.677 5.969 1.00 . A A . 6 O6H CF2 1 1
4 883 1 1 5 . CG C -2.670 -2.537 4.678 1.00 . A A . 6 O6H CG 1 1
4 884 1 1 5 . CH C 0.409 -0.865 7.134 1.00 . A A . 6 O6H CH 1 1
4 885 1 1 5 . CZ C -0.669 -1.455 6.279 1.00 . A A . 6 O6H CZ 1 1
4 886 1 1 5 . H1 H -2.473 -1.978 1.923 1.00 . A A . 6 O6H H1 1 1
4 887 1 1 5 . HA H -2.622 -4.655 2.843 1.00 . A A . 6 O6H HA 1 1
4 888 1 1 5 . HB1 H -4.322 -3.818 4.410 1.00 . A A . 6 O6H HB1 1 1
4 889 1 1 5 . HB2 H -4.410 -2.308 3.514 1.00 . A A . 6 O6H HB2 1 1
4 890 1 1 5 . HE1 H -0.875 0.311 5.097 1.00 . A A . 6 O6H HE1 1 1
4 891 1 1 5 . HE2 H -0.669 -3.335 7.301 1.00 . A A . 6 O6H HE2 1 1
4 892 1 1 5 . HF11 H -2.129 -0.247 2.557 1.00 . A A . 6 O6H HF11 1 1
4 893 1 1 5 . HF12 H -3.696 -0.821 2.961 1.00 . A A . 6 O6H HF12 1 1
4 894 1 1 5 . HF13 H -3.078 0.593 3.717 1.00 . A A . 6 O6H HF13 1 1
4 895 1 1 5 . HF21 H -3.486 -4.925 5.443 1.00 . A A . 6 O6H HF21 1 1
4 896 1 1 5 . HF22 H -2.787 -4.869 7.011 1.00 . A A . 6 O6H HF22 1 1
4 897 1 1 5 . HF23 H -1.862 -5.434 5.678 1.00 . A A . 6 O6H HF23 1 1
4 898 1 1 5 . HH1 H 0.099 -0.689 8.154 1.00 . A A . 6 O6H HH1 1 1
4 899 1 1 5 . HH2 H 1.290 -1.485 7.205 1.00 . A A . 6 O6H HH2 1 1
4 900 1 1 5 . HH3 H 0.761 0.091 6.775 1.00 . A A . 6 O6H HH3 1 1
4 901 1 1 5 . N N -2.476 -2.935 1.711 1.00 . A A . 6 O6H N 1 1
4 902 1 1 5 . O O -4.803 -5.571 1.920 1.00 . A A . 6 O6H O 1 1
4 903 1 1 6 PHE C C -6.258 -4.026 -1.100 1.00 . A A . 7 PHE C 1 1
4 904 1 1 6 PHE CA C -6.393 -3.861 0.408 1.00 . A A . 7 PHE CA 1 1
4 905 1 1 6 PHE CB C -7.420 -2.773 0.738 1.00 . A A . 7 PHE CB 1 1
4 906 1 1 6 PHE CD1 C -7.773 -3.132 3.202 1.00 . A A . 7 PHE CD1 1 1
4 907 1 1 6 PHE CD2 C -6.804 -1.075 2.480 1.00 . A A . 7 PHE CD2 1 1
4 908 1 1 6 PHE CE1 C -7.667 -2.722 4.518 1.00 . A A . 7 PHE CE1 1 1
4 909 1 1 6 PHE CE2 C -6.703 -0.658 3.792 1.00 . A A . 7 PHE CE2 1 1
4 910 1 1 6 PHE CG C -7.340 -2.314 2.169 1.00 . A A . 7 PHE CG 1 1
4 911 1 1 6 PHE CZ C -7.132 -1.482 4.813 1.00 . A A . 7 PHE CZ 1 1
4 912 1 1 6 PHE H H -4.720 -2.649 0.864 1.00 . A A . 7 PHE H 1 1
4 913 1 1 6 PHE HA H -6.728 -4.795 0.830 1.00 . A A . 7 PHE HA 1 1
4 914 1 1 6 PHE HB2 H -7.250 -1.918 0.101 1.00 . A A . 7 PHE HB2 1 1
4 915 1 1 6 PHE HB3 H -8.414 -3.158 0.564 1.00 . A A . 7 PHE HB3 1 1
4 916 1 1 6 PHE HD1 H -8.192 -4.099 2.971 1.00 . A A . 7 PHE HD1 1 1
4 917 1 1 6 PHE HD2 H -6.468 -0.429 1.682 1.00 . A A . 7 PHE HD2 1 1
4 918 1 1 6 PHE HE1 H -8.008 -3.368 5.315 1.00 . A A . 7 PHE HE1 1 1
4 919 1 1 6 PHE HE2 H -6.287 0.312 4.021 1.00 . A A . 7 PHE HE2 1 1
4 920 1 1 6 PHE HZ H -7.041 -1.163 5.839 1.00 . A A . 7 PHE HZ 1 1
4 921 1 1 6 PHE N N -5.110 -3.531 1.020 1.00 . A A . 7 PHE N 1 1
4 922 1 1 6 PHE O O -7.125 -4.605 -1.755 1.00 . A A . 7 PHE O 1 1
4 923 1 1 7 DTR C C -4.625 -2.216 -3.683 1.00 . A A . 8 DTR C 1 1
4 924 1 1 7 DTR CA C -4.931 -3.585 -3.071 1.00 . A A . 8 DTR CA 1 1
4 925 1 1 7 DTR CB C -3.777 -4.562 -3.325 1.00 . A A . 8 DTR CB 1 1
4 926 1 1 7 DTR CD1 C -2.462 -4.204 -5.492 1.00 . A A . 8 DTR CD1 1 1
4 927 1 1 7 DTR CD2 C -4.224 -5.570 -5.699 1.00 . A A . 8 DTR CD2 1 1
4 928 1 1 7 DTR CE2 C -3.598 -5.450 -6.953 1.00 . A A . 8 DTR CE2 1 1
4 929 1 1 7 DTR CE3 C -5.358 -6.379 -5.588 1.00 . A A . 8 DTR CE3 1 1
4 930 1 1 7 DTR CG C -3.482 -4.763 -4.778 1.00 . A A . 8 DTR CG 1 1
4 931 1 1 7 DTR CH2 C -5.179 -6.896 -7.946 1.00 . A A . 8 DTR CH2 1 1
4 932 1 1 7 DTR CZ2 C -4.067 -6.111 -8.084 1.00 . A A . 8 DTR CZ2 1 1
4 933 1 1 7 DTR CZ3 C -5.821 -7.036 -6.711 1.00 . A A . 8 DTR CZ3 1 1
4 934 1 1 7 DTR H H -4.559 -2.988 -1.090 1.00 . A A . 8 DTR H 1 1
4 935 1 1 7 DTR HA H -5.803 -4.024 -3.539 1.00 . A A . 8 DTR HA 1 1
4 936 1 1 7 DTR HB2 H -2.883 -4.184 -2.853 1.00 . A A . 8 DTR HB2 1 1
4 937 1 1 7 DTR HB3 H -4.026 -5.523 -2.899 1.00 . A A . 8 DTR HB3 1 1
4 938 1 1 7 DTR HD1 H -1.718 -3.540 -5.075 1.00 . A A . 8 DTR HD1 1 1
4 939 1 1 7 DTR HE1 H -1.894 -4.349 -7.515 1.00 . A A . 8 DTR HE1 1 1
4 940 1 1 7 DTR HE3 H -5.868 -6.499 -4.643 1.00 . A A . 8 DTR HE3 1 1
4 941 1 1 7 DTR HH2 H -5.576 -7.426 -8.798 1.00 . A A . 8 DTR HH2 1 1
4 942 1 1 7 DTR HZ2 H -3.586 -6.007 -9.043 1.00 . A A . 8 DTR HZ2 1 1
4 943 1 1 7 DTR HZ3 H -6.696 -7.664 -6.644 1.00 . A A . 8 DTR HZ3 1 1
4 944 1 1 7 DTR N N -5.190 -3.477 -1.651 1.00 . A A . 8 DTR N 1 1
4 945 1 1 7 DTR NE1 N -2.524 -4.615 -6.800 1.00 . A A . 8 DTR NE1 1 1
4 946 1 1 7 DTR O O -3.807 -1.473 -3.145 1.00 . A A . 8 DTR O 1 1
4 947 1 1 8 LYS C C -5.838 0.528 -4.951 1.00 . A A . 9 LYS C 1 1
4 948 1 1 8 LYS CA C -4.984 -0.620 -5.480 1.00 . A A . 9 LYS CA 1 1
4 949 1 1 8 LYS CB C -5.170 -0.768 -7.000 1.00 . A A . 9 LYS CB 1 1
4 950 1 1 8 LYS CD C -6.786 -2.667 -7.408 1.00 . A A . 9 LYS CD 1 1
4 951 1 1 8 LYS CE C -6.007 -3.358 -8.515 1.00 . A A . 9 LYS CE 1 1
4 952 1 1 8 LYS CG C -6.576 -1.161 -7.431 1.00 . A A . 9 LYS CG 1 1
4 953 1 1 8 LYS H H -6.018 -2.431 -5.120 1.00 . A A . 9 LYS H 1 1
4 954 1 1 8 LYS HA H -3.947 -0.390 -5.282 1.00 . A A . 9 LYS HA 1 1
4 955 1 1 8 LYS HB2 H -4.932 0.175 -7.469 1.00 . A A . 9 LYS HB2 1 1
4 956 1 1 8 LYS HB3 H -4.485 -1.520 -7.362 1.00 . A A . 9 LYS HB3 1 1
4 957 1 1 8 LYS HD2 H -6.453 -3.051 -6.455 1.00 . A A . 9 LYS HD2 1 1
4 958 1 1 8 LYS HD3 H -7.838 -2.875 -7.535 1.00 . A A . 9 LYS HD3 1 1
4 959 1 1 8 LYS HE2 H -4.966 -3.082 -8.430 1.00 . A A . 9 LYS HE2 1 1
4 960 1 1 8 LYS HE3 H -6.102 -4.428 -8.389 1.00 . A A . 9 LYS HE3 1 1
4 961 1 1 8 LYS HG2 H -7.283 -0.707 -6.760 1.00 . A A . 9 LYS HG2 1 1
4 962 1 1 8 LYS HG3 H -6.747 -0.798 -8.435 1.00 . A A . 9 LYS HG3 1 1
4 963 1 1 8 LYS HZ1 H -6.007 -3.553 -10.595 1.00 . A A . 9 LYS HZ1 1 1
4 964 1 1 8 LYS HZ2 H -6.303 -1.980 -10.058 1.00 . A A . 9 LYS HZ2 1 1
4 965 1 1 8 LYS HZ3 H -7.523 -3.151 -9.943 1.00 . A A . 9 LYS HZ3 1 1
4 966 1 1 8 LYS N N -5.292 -1.861 -4.782 1.00 . A A . 9 LYS N 1 1
4 967 1 1 8 LYS NZ N -6.494 -2.984 -9.868 1.00 . A A . 9 LYS NZ 1 1
4 968 1 1 8 LYS O O -5.680 1.674 -5.369 1.00 . A A . 9 LYS O 1 1
4 969 1 1 9 THR C C -6.837 2.033 -2.344 1.00 . A A . 10 THR C 1 1
4 970 1 1 9 THR CA C -7.582 1.235 -3.415 1.00 . A A . 10 THR CA 1 1
4 971 1 1 9 THR CB C -8.846 0.604 -2.799 1.00 . A A . 10 THR CB 1 1
4 972 1 1 9 THR CG2 C -9.778 0.085 -3.884 1.00 . A A . 10 THR CG2 1 1
4 973 1 1 9 THR H H -6.833 -0.720 -3.739 1.00 . A A . 10 THR H 1 1
4 974 1 1 9 THR HA H -7.890 1.909 -4.200 1.00 . A A . 10 THR HA 1 1
4 975 1 1 9 THR HB H -9.367 1.363 -2.233 1.00 . A A . 10 THR HB 1 1
4 976 1 1 9 THR HG1 H -9.186 -0.587 -1.259 1.00 . A A . 10 THR HG1 1 1
4 977 1 1 9 THR HG21 H -10.654 -0.353 -3.429 1.00 . A A . 10 THR HG21 1 1
4 978 1 1 9 THR HG22 H -9.265 -0.662 -4.470 1.00 . A A . 10 THR HG22 1 1
4 979 1 1 9 THR HG23 H -10.076 0.902 -4.525 1.00 . A A . 10 THR HG23 1 1
4 980 1 1 9 THR N N -6.726 0.218 -4.011 1.00 . A A . 10 THR N 1 1
4 981 1 1 9 THR O O -7.235 3.145 -1.995 1.00 . A A . 10 THR O 1 1
4 982 1 1 9 THR OG1 O -8.486 -0.470 -1.915 1.00 . A A . 10 THR OG1 1 1
4 983 1 1 10 PHE C C -3.447 2.073 -1.328 1.00 . A A . 11 PHE C 1 1
4 984 1 1 10 PHE CA C -4.922 2.141 -0.853 1.00 . A A . 11 PHE CA 1 1
4 985 1 1 10 PHE CB C -5.058 1.441 0.503 1.00 . A A . 11 PHE CB 1 1
4 986 1 1 10 PHE CD1 C -3.120 2.468 1.735 1.00 . A A . 11 PHE CD1 1 1
4 987 1 1 10 PHE CD2 C -5.302 2.687 2.668 1.00 . A A . 11 PHE CD2 1 1
4 988 1 1 10 PHE CE1 C -2.590 3.168 2.798 1.00 . A A . 11 PHE CE1 1 1
4 989 1 1 10 PHE CE2 C -4.777 3.392 3.734 1.00 . A A . 11 PHE CE2 1 1
4 990 1 1 10 PHE CG C -4.481 2.217 1.656 1.00 . A A . 11 PHE CG 1 1
4 991 1 1 10 PHE CZ C -3.418 3.632 3.797 1.00 . A A . 11 PHE CZ 1 1
4 992 1 1 10 PHE H H -5.493 0.572 -2.133 1.00 . A A . 11 PHE H 1 1
4 993 1 1 10 PHE HA H -5.279 3.155 -0.766 1.00 . A A . 11 PHE HA 1 1
4 994 1 1 10 PHE HB2 H -6.107 1.276 0.709 1.00 . A A . 11 PHE HB2 1 1
4 995 1 1 10 PHE HB3 H -4.556 0.486 0.458 1.00 . A A . 11 PHE HB3 1 1
4 996 1 1 10 PHE HD1 H -2.468 2.110 0.951 1.00 . A A . 11 PHE HD1 1 1
4 997 1 1 10 PHE HD2 H -6.365 2.500 2.619 1.00 . A A . 11 PHE HD2 1 1
4 998 1 1 10 PHE HE1 H -1.528 3.356 2.847 1.00 . A A . 11 PHE HE1 1 1
4 999 1 1 10 PHE HE2 H -5.428 3.753 4.517 1.00 . A A . 11 PHE HE2 1 1
4 1000 1 1 10 PHE HZ H -3.004 4.177 4.627 1.00 . A A . 11 PHE HZ 1 1
4 1001 1 1 10 PHE N N -5.750 1.465 -1.834 1.00 . A A . 11 PHE N 1 1
4 1002 1 1 10 PHE O O -2.977 0.975 -1.625 1.00 . A A . 11 PHE O 1 1
4 1003 1 1 11 THR C C -0.412 3.846 -0.843 1.00 . A A . 12 THR C 1 1
4 1004 1 1 11 THR CA C -1.308 3.098 -1.826 1.00 . A A . 12 THR CA 1 1
4 1005 1 1 11 THR CB C -1.117 3.658 -3.250 1.00 . A A . 12 THR CB 1 1
4 1006 1 1 11 THR CG2 C 0.324 3.507 -3.720 1.00 . A A . 12 THR CG2 1 1
4 1007 1 1 11 THR H H -3.060 4.076 -1.215 1.00 . A A . 12 THR H 1 1
4 1008 1 1 11 THR HA H -1.028 2.054 -1.831 1.00 . A A . 12 THR HA 1 1
4 1009 1 1 11 THR HB H -1.372 4.707 -3.244 1.00 . A A . 12 THR HB 1 1
4 1010 1 1 11 THR HG1 H -2.507 2.319 -3.658 1.00 . A A . 12 THR HG1 1 1
4 1011 1 1 11 THR HG21 H 0.417 3.900 -4.721 1.00 . A A . 12 THR HG21 1 1
4 1012 1 1 11 THR HG22 H 0.600 2.463 -3.716 1.00 . A A . 12 THR HG22 1 1
4 1013 1 1 11 THR HG23 H 0.979 4.054 -3.057 1.00 . A A . 12 THR HG23 1 1
4 1014 1 1 11 THR N N -2.697 3.188 -1.419 1.00 . A A . 12 THR N 1 1
4 1015 1 1 11 THR O O -0.449 5.074 -0.761 1.00 . A A . 12 THR O 1 1
4 1016 1 1 11 THR OG1 O -1.992 2.966 -4.152 1.00 . A A . 12 THR OG1 1 1
4 1017 1 1 12 SER C C 2.700 3.154 0.607 1.00 . A A . 13 SER C 1 1
4 1018 1 1 12 SER CA C 1.291 3.679 0.874 1.00 . A A . 13 SER CA 1 1
4 1019 1 1 12 SER CB C 0.854 3.335 2.301 1.00 . A A . 13 SER CB 1 1
4 1020 1 1 12 SER H H 0.333 2.121 -0.171 1.00 . A A . 13 SER H 1 1
4 1021 1 1 12 SER HA H 1.275 4.750 0.746 1.00 . A A . 13 SER HA 1 1
4 1022 1 1 12 SER HB2 H -0.196 3.556 2.416 1.00 . A A . 13 SER HB2 1 1
4 1023 1 1 12 SER HB3 H 1.019 2.282 2.483 1.00 . A A . 13 SER HB3 1 1
4 1024 1 1 12 SER HG H 1.037 4.188 4.061 1.00 . A A . 13 SER HG 1 1
4 1025 1 1 12 SER N N 0.372 3.097 -0.084 1.00 . A A . 13 SER N 1 1
4 1026 1 1 12 SER O O 2.961 1.956 0.746 1.00 . A A . 13 SER O 1 1
4 1027 1 1 12 SER OG O 1.582 4.083 3.260 1.00 . A A . 13 SER OG 1 1
4 1028 1 1 13 CYS C C 5.978 4.475 0.557 1.00 . A A . 14 CYS C 1 1
4 1029 1 1 13 CYS CA C 4.946 3.603 -0.140 1.00 . A A . 14 CYS CA 1 1
4 1030 1 1 13 CYS CB C 5.160 3.640 -1.651 1.00 . A A . 14 CYS CB 1 1
4 1031 1 1 13 CYS H H 3.369 4.980 0.119 1.00 . A A . 14 CYS H 1 1
4 1032 1 1 13 CYS HA H 5.063 2.586 0.202 1.00 . A A . 14 CYS HA 1 1
4 1033 1 1 13 CYS HB2 H 4.350 3.115 -2.139 1.00 . A A . 14 CYS HB2 1 1
4 1034 1 1 13 CYS HB3 H 5.169 4.668 -1.985 1.00 . A A . 14 CYS HB3 1 1
4 1035 1 1 13 CYS N N 3.602 4.029 0.193 1.00 . A A . 14 CYS N 1 1
4 1036 1 1 13 CYS O O 5.975 5.698 0.410 1.00 . A A . 14 CYS O 1 1
4 1037 1 1 13 CYS SG S 6.721 2.869 -2.185 1.00 . A A . 14 CYS SG 1 1
4 1038 1 1 14 LYS C C 9.072 3.540 2.272 1.00 . A A . 15 LYS C 1 1
4 1039 1 1 14 LYS CA C 7.937 4.522 1.993 1.00 . A A . 15 LYS CA 1 1
4 1040 1 1 14 LYS CB C 7.460 5.234 3.283 1.00 . A A . 15 LYS CB 1 1
4 1041 1 1 14 LYS CD C 5.751 3.638 4.313 1.00 . A A . 15 LYS CD 1 1
4 1042 1 1 14 LYS CE C 5.908 2.202 3.835 1.00 . A A . 15 LYS CE 1 1
4 1043 1 1 14 LYS CG C 7.095 4.340 4.472 1.00 . A A . 15 LYS CG 1 1
4 1044 1 1 14 LYS H H 6.791 2.858 1.398 1.00 . A A . 15 LYS H 1 1
4 1045 1 1 14 LYS HA H 8.310 5.271 1.309 1.00 . A A . 15 LYS HA 1 1
4 1046 1 1 14 LYS HB2 H 8.243 5.902 3.608 1.00 . A A . 15 LYS HB2 1 1
4 1047 1 1 14 LYS HB3 H 6.590 5.828 3.037 1.00 . A A . 15 LYS HB3 1 1
4 1048 1 1 14 LYS HD2 H 5.247 3.631 5.268 1.00 . A A . 15 LYS HD2 1 1
4 1049 1 1 14 LYS HD3 H 5.156 4.184 3.597 1.00 . A A . 15 LYS HD3 1 1
4 1050 1 1 14 LYS HE2 H 4.978 1.677 3.996 1.00 . A A . 15 LYS HE2 1 1
4 1051 1 1 14 LYS HE3 H 6.140 2.208 2.778 1.00 . A A . 15 LYS HE3 1 1
4 1052 1 1 14 LYS HG2 H 7.862 3.588 4.585 1.00 . A A . 15 LYS HG2 1 1
4 1053 1 1 14 LYS HG3 H 7.065 4.950 5.364 1.00 . A A . 15 LYS HG3 1 1
4 1054 1 1 14 LYS HZ1 H 6.922 0.468 4.425 1.00 . A A . 15 LYS HZ1 1 1
4 1055 1 1 14 LYS HZ2 H 6.935 1.702 5.581 1.00 . A A . 15 LYS HZ2 1 1
4 1056 1 1 14 LYS HZ3 H 7.926 1.820 4.207 1.00 . A A . 15 LYS HZ3 1 1
4 1057 1 1 14 LYS N N 6.855 3.836 1.314 1.00 . A A . 15 LYS N 1 1
4 1058 1 1 14 LYS NZ N 6.995 1.497 4.566 1.00 . A A . 15 LYS NZ 1 1
4 1059 1 1 14 LYS O O 8.864 2.581 3.047 1.00 . A A . 15 LYS O 1 1
4 1060 1 1 14 LYS OXT O 10.154 3.712 1.677 1.00 . A A . 15 LYS OXT 1 1
4 1061 2 2 1 . C1 C 8.938 -2.577 -0.469 1.00 . B A . 101 OCA C1 1 1
4 1062 2 2 1 . C2 C 8.358 -2.655 0.936 1.00 . B A . 101 OCA C2 1 1
4 1063 2 2 1 . C3 C 9.424 -2.645 2.020 1.00 . B A . 101 OCA C3 1 1
4 1064 2 2 1 . C4 C 8.914 -1.964 3.281 1.00 . B A . 101 OCA C4 1 1
4 1065 2 2 1 . C5 C 10.051 -1.547 4.200 1.00 . B A . 101 OCA C5 1 1
4 1066 2 2 1 . C6 C 10.213 -0.035 4.237 1.00 . B A . 101 OCA C6 1 1
4 1067 2 2 1 . C7 C 10.466 0.474 5.650 1.00 . B A . 101 OCA C7 1 1
4 1068 2 2 1 . C8 C 11.755 -0.073 6.221 1.00 . B A . 101 OCA C8 1 1
4 1069 2 2 1 . H21 H 7.706 -1.808 1.085 1.00 . B A . 101 OCA H21 1 1
4 1070 2 2 1 . H22 H 7.786 -3.567 1.020 1.00 . B A . 101 OCA H22 1 1
4 1071 2 2 1 . H31 H 9.699 -3.665 2.255 1.00 . B A . 101 OCA H31 1 1
4 1072 2 2 1 . H32 H 10.289 -2.112 1.656 1.00 . B A . 101 OCA H32 1 1
4 1073 2 2 1 . H41 H 8.354 -1.086 3.000 1.00 . B A . 101 OCA H41 1 1
4 1074 2 2 1 . H42 H 8.270 -2.649 3.813 1.00 . B A . 101 OCA H42 1 1
4 1075 2 2 1 . H51 H 9.843 -1.902 5.199 1.00 . B A . 101 OCA H51 1 1
4 1076 2 2 1 . H52 H 10.970 -1.988 3.843 1.00 . B A . 101 OCA H52 1 1
4 1077 2 2 1 . H61 H 11.048 0.243 3.614 1.00 . B A . 101 OCA H61 1 1
4 1078 2 2 1 . H62 H 9.310 0.423 3.857 1.00 . B A . 101 OCA H62 1 1
4 1079 2 2 1 . H71 H 10.530 1.552 5.631 1.00 . B A . 101 OCA H71 1 1
4 1080 2 2 1 . H72 H 9.650 0.167 6.288 1.00 . B A . 101 OCA H72 1 1
4 1081 2 2 1 . H81 H 11.538 -0.931 6.842 1.00 . B A . 101 OCA H81 1 1
4 1082 2 2 1 . H82 H 12.237 0.689 6.817 1.00 . B A . 101 OCA H82 1 1
4 1083 2 2 1 . H83 H 12.411 -0.368 5.415 1.00 . B A . 101 OCA H83 1 1
4 1084 2 2 1 . O1 O 9.268 -3.562 -1.132 1.00 . B A . 101 OCA O1 1 1
5 1085 1 1 1 PRO C C 7.146 -0.579 0.212 1.00 . A A . 2 PRO C 1 1
5 1086 1 1 1 PRO CA C 8.546 -1.185 0.323 1.00 . A A . 2 PRO CA 1 1
5 1087 1 1 1 PRO CB C 9.608 -0.076 0.253 1.00 . A A . 2 PRO CB 1 1
5 1088 1 1 1 PRO CD C 9.767 -1.381 -1.751 1.00 . A A . 2 PRO CD 1 1
5 1089 1 1 1 PRO CG C 10.539 -0.461 -0.854 1.00 . A A . 2 PRO CG 1 1
5 1090 1 1 1 PRO HA H 8.631 -1.705 1.267 1.00 . A A . 2 PRO HA 1 1
5 1091 1 1 1 PRO HB2 H 9.128 0.869 0.045 1.00 . A A . 2 PRO HB2 1 1
5 1092 1 1 1 PRO HB3 H 10.127 -0.014 1.197 1.00 . A A . 2 PRO HB3 1 1
5 1093 1 1 1 PRO HD2 H 9.196 -0.817 -2.475 1.00 . A A . 2 PRO HD2 1 1
5 1094 1 1 1 PRO HD3 H 10.429 -2.078 -2.242 1.00 . A A . 2 PRO HD3 1 1
5 1095 1 1 1 PRO HG2 H 10.844 0.423 -1.394 1.00 . A A . 2 PRO HG2 1 1
5 1096 1 1 1 PRO HG3 H 11.400 -0.969 -0.446 1.00 . A A . 2 PRO HG3 1 1
5 1097 1 1 1 PRO N N 8.884 -2.070 -0.808 1.00 . A A . 2 PRO N 1 1
5 1098 1 1 1 PRO O O 6.765 0.275 1.009 1.00 . A A . 2 PRO O 1 1
5 1099 1 1 2 CYS C C 4.099 -1.823 -0.574 1.00 . A A . 3 CYS C 1 1
5 1100 1 1 2 CYS CA C 4.997 -0.633 -0.899 1.00 . A A . 3 CYS CA 1 1
5 1101 1 1 2 CYS CB C 4.710 -0.120 -2.313 1.00 . A A . 3 CYS CB 1 1
5 1102 1 1 2 CYS H H 6.773 -1.642 -1.431 1.00 . A A . 3 CYS H 1 1
5 1103 1 1 2 CYS HA H 4.813 0.160 -0.189 1.00 . A A . 3 CYS HA 1 1
5 1104 1 1 2 CYS HB2 H 4.879 -0.917 -3.020 1.00 . A A . 3 CYS HB2 1 1
5 1105 1 1 2 CYS HB3 H 3.679 0.193 -2.371 1.00 . A A . 3 CYS HB3 1 1
5 1106 1 1 2 CYS N N 6.388 -1.030 -0.771 1.00 . A A . 3 CYS N 1 1
5 1107 1 1 2 CYS O O 4.117 -2.834 -1.277 1.00 . A A . 3 CYS O 1 1
5 1108 1 1 2 CYS SG S 5.749 1.291 -2.813 1.00 . A A . 3 CYS SG 1 1
5 1109 1 1 3 LYS C C 1.030 -2.417 0.732 1.00 . A A . 4 LYS C 1 1
5 1110 1 1 3 LYS CA C 2.481 -2.798 0.948 1.00 . A A . 4 LYS CA 1 1
5 1111 1 1 3 LYS CB C 2.710 -3.092 2.435 1.00 . A A . 4 LYS CB 1 1
5 1112 1 1 3 LYS CD C 2.824 -5.604 2.330 1.00 . A A . 4 LYS CD 1 1
5 1113 1 1 3 LYS CE C 2.252 -6.909 2.863 1.00 . A A . 4 LYS CE 1 1
5 1114 1 1 3 LYS CG C 2.098 -4.399 2.910 1.00 . A A . 4 LYS CG 1 1
5 1115 1 1 3 LYS H H 3.348 -0.877 1.020 1.00 . A A . 4 LYS H 1 1
5 1116 1 1 3 LYS HA H 2.710 -3.678 0.367 1.00 . A A . 4 LYS HA 1 1
5 1117 1 1 3 LYS HB2 H 3.770 -3.131 2.623 1.00 . A A . 4 LYS HB2 1 1
5 1118 1 1 3 LYS HB3 H 2.279 -2.290 3.016 1.00 . A A . 4 LYS HB3 1 1
5 1119 1 1 3 LYS HD2 H 2.719 -5.592 1.255 1.00 . A A . 4 LYS HD2 1 1
5 1120 1 1 3 LYS HD3 H 3.870 -5.544 2.593 1.00 . A A . 4 LYS HD3 1 1
5 1121 1 1 3 LYS HE2 H 2.282 -6.890 3.942 1.00 . A A . 4 LYS HE2 1 1
5 1122 1 1 3 LYS HE3 H 1.225 -6.997 2.534 1.00 . A A . 4 LYS HE3 1 1
5 1123 1 1 3 LYS HG2 H 2.155 -4.441 3.987 1.00 . A A . 4 LYS HG2 1 1
5 1124 1 1 3 LYS HG3 H 1.063 -4.432 2.602 1.00 . A A . 4 LYS HG3 1 1
5 1125 1 1 3 LYS HZ1 H 3.063 -8.085 1.337 1.00 . A A . 4 LYS HZ1 1 1
5 1126 1 1 3 LYS HZ2 H 2.557 -8.972 2.688 1.00 . A A . 4 LYS HZ2 1 1
5 1127 1 1 3 LYS HZ3 H 3.992 -8.068 2.755 1.00 . A A . 4 LYS HZ3 1 1
5 1128 1 1 3 LYS N N 3.342 -1.713 0.509 1.00 . A A . 4 LYS N 1 1
5 1129 1 1 3 LYS NZ N 3.017 -8.087 2.379 1.00 . A A . 4 LYS NZ 1 1
5 1130 1 1 3 LYS O O 0.568 -1.404 1.256 1.00 . A A . 4 LYS O 1 1
5 1131 1 1 4 ASN C C -1.934 -4.001 0.491 1.00 . A A . 5 ASN C 1 1
5 1132 1 1 4 ASN CA C -1.098 -2.948 -0.240 1.00 . A A . 5 ASN CA 1 1
5 1133 1 1 4 ASN CB C -1.427 -2.976 -1.737 1.00 . A A . 5 ASN CB 1 1
5 1134 1 1 4 ASN CG C -0.586 -2.011 -2.557 1.00 . A A . 5 ASN CG 1 1
5 1135 1 1 4 ASN H H 0.725 -4.002 -0.452 1.00 . A A . 5 ASN H 1 1
5 1136 1 1 4 ASN HA H -1.309 -1.963 0.146 1.00 . A A . 5 ASN HA 1 1
5 1137 1 1 4 ASN HB2 H -1.262 -3.974 -2.114 1.00 . A A . 5 ASN HB2 1 1
5 1138 1 1 4 ASN HB3 H -2.467 -2.717 -1.869 1.00 . A A . 5 ASN HB3 1 1
5 1139 1 1 4 ASN HD21 H -1.919 -0.562 -2.278 1.00 . A A . 5 ASN HD21 1 1
5 1140 1 1 4 ASN HD22 H -0.538 -0.146 -3.227 1.00 . A A . 5 ASN HD22 1 1
5 1141 1 1 4 ASN N N 0.307 -3.220 -0.027 1.00 . A A . 5 ASN N 1 1
5 1142 1 1 4 ASN ND2 N -1.059 -0.782 -2.701 1.00 . A A . 5 ASN ND2 1 1
5 1143 1 1 4 ASN O O -1.948 -5.168 0.100 1.00 . A A . 5 ASN O 1 1
5 1144 1 1 4 ASN OD1 O 0.480 -2.367 -3.062 1.00 . A A . 5 ASN OD1 1 1
5 1145 1 1 5 . C C -4.694 -4.915 1.565 1.00 . A A . 6 O6H C 1 1
5 1146 1 1 5 . CA C -3.441 -4.518 2.335 1.00 . A A . 6 O6H CA 1 1
5 1147 1 1 5 . CB C -3.822 -3.916 3.691 1.00 . A A . 6 O6H CB 1 1
5 1148 1 1 5 . CD1 C -1.840 -4.404 5.195 1.00 . A A . 6 O6H CD1 1 1
5 1149 1 1 5 . CD2 C -2.309 -2.135 4.632 1.00 . A A . 6 O6H CD2 1 1
5 1150 1 1 5 . CE1 C -0.755 -3.998 5.951 1.00 . A A . 6 O6H CE1 1 1
5 1151 1 1 5 . CE2 C -1.230 -1.716 5.386 1.00 . A A . 6 O6H CE2 1 1
5 1152 1 1 5 . CF1 C -2.163 -5.868 5.109 1.00 . A A . 6 O6H CF1 1 1
5 1153 1 1 5 . CF2 C -3.151 -1.108 3.929 1.00 . A A . 6 O6H CF2 1 1
5 1154 1 1 5 . CG C -2.639 -3.480 4.522 1.00 . A A . 6 O6H CG 1 1
5 1155 1 1 5 . CH C 0.719 -2.197 6.851 1.00 . A A . 6 O6H CH 1 1
5 1156 1 1 5 . CZ C -0.456 -2.653 6.040 1.00 . A A . 6 O6H CZ 1 1
5 1157 1 1 5 . H1 H -2.537 -2.675 1.875 1.00 . A A . 6 O6H H1 1 1
5 1158 1 1 5 . HA H -2.858 -5.408 2.509 1.00 . A A . 6 O6H HA 1 1
5 1159 1 1 5 . HB1 H -4.374 -4.652 4.257 1.00 . A A . 6 O6H HB1 1 1
5 1160 1 1 5 . HB2 H -4.448 -3.051 3.529 1.00 . A A . 6 O6H HB2 1 1
5 1161 1 1 5 . HE1 H -0.147 -4.726 6.470 1.00 . A A . 6 O6H HE1 1 1
5 1162 1 1 5 . HE2 H -0.989 -0.665 5.461 1.00 . A A . 6 O6H HE2 1 1
5 1163 1 1 5 . HF11 H -3.154 -6.109 5.464 1.00 . A A . 6 O6H HF11 1 1
5 1164 1 1 5 . HF12 H -1.493 -6.489 5.686 1.00 . A A . 6 O6H HF12 1 1
5 1165 1 1 5 . HF13 H -2.118 -6.257 4.103 1.00 . A A . 6 O6H HF13 1 1
5 1166 1 1 5 . HF21 H -3.152 -1.215 2.854 1.00 . A A . 6 O6H HF21 1 1
5 1167 1 1 5 . HF22 H -2.834 -0.092 4.113 1.00 . A A . 6 O6H HF22 1 1
5 1168 1 1 5 . HF23 H -4.189 -1.141 4.218 1.00 . A A . 6 O6H HF23 1 1
5 1169 1 1 5 . HH1 H 1.295 -1.422 6.369 1.00 . A A . 6 O6H HH1 1 1
5 1170 1 1 5 . HH2 H 1.425 -2.987 7.066 1.00 . A A . 6 O6H HH2 1 1
5 1171 1 1 5 . HH3 H 0.444 -1.790 7.814 1.00 . A A . 6 O6H HH3 1 1
5 1172 1 1 5 . N N -2.611 -3.600 1.570 1.00 . A A . 6 O6H N 1 1
5 1173 1 1 5 . O O -5.135 -6.063 1.620 1.00 . A A . 6 O6H O 1 1
5 1174 1 1 6 PHE C C -6.443 -4.177 -1.277 1.00 . A A . 7 PHE C 1 1
5 1175 1 1 6 PHE CA C -6.579 -4.134 0.238 1.00 . A A . 7 PHE CA 1 1
5 1176 1 1 6 PHE CB C -7.546 -3.008 0.620 1.00 . A A . 7 PHE CB 1 1
5 1177 1 1 6 PHE CD1 C -7.628 -3.408 3.101 1.00 . A A . 7 PHE CD1 1 1
5 1178 1 1 6 PHE CD2 C -7.077 -1.224 2.316 1.00 . A A . 7 PHE CD2 1 1
5 1179 1 1 6 PHE CE1 C -7.501 -2.971 4.406 1.00 . A A . 7 PHE CE1 1 1
5 1180 1 1 6 PHE CE2 C -6.949 -0.783 3.616 1.00 . A A . 7 PHE CE2 1 1
5 1181 1 1 6 PHE CG C -7.416 -2.540 2.042 1.00 . A A . 7 PHE CG 1 1
5 1182 1 1 6 PHE CZ C -7.161 -1.657 4.663 1.00 . A A . 7 PHE CZ 1 1
5 1183 1 1 6 PHE H H -4.831 -3.078 0.798 1.00 . A A . 7 PHE H 1 1
5 1184 1 1 6 PHE HA H -6.981 -5.074 0.580 1.00 . A A . 7 PHE HA 1 1
5 1185 1 1 6 PHE HB2 H -7.367 -2.158 -0.022 1.00 . A A . 7 PHE HB2 1 1
5 1186 1 1 6 PHE HB3 H -8.559 -3.354 0.474 1.00 . A A . 7 PHE HB3 1 1
5 1187 1 1 6 PHE HD1 H -7.893 -4.436 2.899 1.00 . A A . 7 PHE HD1 1 1
5 1188 1 1 6 PHE HD2 H -6.912 -0.537 1.499 1.00 . A A . 7 PHE HD2 1 1
5 1189 1 1 6 PHE HE1 H -7.665 -3.656 5.224 1.00 . A A . 7 PHE HE1 1 1
5 1190 1 1 6 PHE HE2 H -6.686 0.246 3.814 1.00 . A A . 7 PHE HE2 1 1
5 1191 1 1 6 PHE HZ H -7.061 -1.316 5.681 1.00 . A A . 7 PHE HZ 1 1
5 1192 1 1 6 PHE N N -5.280 -3.941 0.874 1.00 . A A . 7 PHE N 1 1
5 1193 1 1 6 PHE O O -7.335 -4.646 -1.977 1.00 . A A . 7 PHE O 1 1
5 1194 1 1 7 DTR C C -4.726 -2.188 -3.669 1.00 . A A . 8 DTR C 1 1
5 1195 1 1 7 DTR CA C -5.109 -3.600 -3.212 1.00 . A A . 8 DTR CA 1 1
5 1196 1 1 7 DTR CB C -4.027 -4.602 -3.633 1.00 . A A . 8 DTR CB 1 1
5 1197 1 1 7 DTR CD1 C -2.633 -3.909 -5.673 1.00 . A A . 8 DTR CD1 1 1
5 1198 1 1 7 DTR CD2 C -4.487 -5.066 -6.173 1.00 . A A . 8 DTR CD2 1 1
5 1199 1 1 7 DTR CE2 C -3.823 -4.741 -7.369 1.00 . A A . 8 DTR CE2 1 1
5 1200 1 1 7 DTR CE3 C -5.683 -5.795 -6.243 1.00 . A A . 8 DTR CE3 1 1
5 1201 1 1 7 DTR CG C -3.708 -4.527 -5.096 1.00 . A A . 8 DTR CG 1 1
5 1202 1 1 7 DTR CH2 C -5.479 -5.827 -8.656 1.00 . A A . 8 DTR CH2 1 1
5 1203 1 1 7 DTR CZ2 C -4.311 -5.116 -8.617 1.00 . A A . 8 DTR CZ2 1 1
5 1204 1 1 7 DTR CZ3 C -6.165 -6.167 -7.484 1.00 . A A . 8 DTR CZ3 1 1
5 1205 1 1 7 DTR H H -4.660 -3.288 -1.180 1.00 . A A . 8 DTR H 1 1
5 1206 1 1 7 DTR HA H -6.015 -3.924 -3.705 1.00 . A A . 8 DTR HA 1 1
5 1207 1 1 7 DTR HB2 H -3.121 -4.407 -3.078 1.00 . A A . 8 DTR HB2 1 1
5 1208 1 1 7 DTR HB3 H -4.370 -5.602 -3.417 1.00 . A A . 8 DTR HB3 1 1
5 1209 1 1 7 DTR HD1 H -1.853 -3.401 -5.124 1.00 . A A . 8 DTR HD1 1 1
5 1210 1 1 7 DTR HE1 H -2.035 -3.681 -7.681 1.00 . A A . 8 DTR HE1 1 1
5 1211 1 1 7 DTR HE3 H -6.229 -6.067 -5.349 1.00 . A A . 8 DTR HE3 1 1
5 1212 1 1 7 DTR HH2 H -5.892 -6.138 -9.603 1.00 . A A . 8 DTR HH2 1 1
5 1213 1 1 7 DTR HZ2 H -3.796 -4.859 -9.529 1.00 . A A . 8 DTR HZ2 1 1
5 1214 1 1 7 DTR HZ3 H -7.085 -6.729 -7.560 1.00 . A A . 8 DTR HZ3 1 1
5 1215 1 1 7 DTR N N -5.337 -3.649 -1.781 1.00 . A A . 8 DTR N 1 1
5 1216 1 1 7 DTR NE1 N -2.696 -4.038 -7.040 1.00 . A A . 8 DTR NE1 1 1
5 1217 1 1 7 DTR O O -3.854 -1.561 -3.071 1.00 . A A . 8 DTR O 1 1
5 1218 1 1 8 LYS C C -5.654 0.780 -4.732 1.00 . A A . 9 LYS C 1 1
5 1219 1 1 8 LYS CA C -4.956 -0.435 -5.344 1.00 . A A . 9 LYS CA 1 1
5 1220 1 1 8 LYS CB C -5.186 -0.511 -6.857 1.00 . A A . 9 LYS CB 1 1
5 1221 1 1 8 LYS CD C -4.579 0.393 -9.133 1.00 . A A . 9 LYS CD 1 1
5 1222 1 1 8 LYS CE C -3.725 -0.783 -9.586 1.00 . A A . 9 LYS CE 1 1
5 1223 1 1 8 LYS CG C -4.494 0.602 -7.633 1.00 . A A . 9 LYS CG 1 1
5 1224 1 1 8 LYS H H -6.192 -2.121 -5.045 1.00 . A A . 9 LYS H 1 1
5 1225 1 1 8 LYS HA H -3.896 -0.339 -5.163 1.00 . A A . 9 LYS HA 1 1
5 1226 1 1 8 LYS HB2 H -4.816 -1.458 -7.218 1.00 . A A . 9 LYS HB2 1 1
5 1227 1 1 8 LYS HB3 H -6.246 -0.451 -7.050 1.00 . A A . 9 LYS HB3 1 1
5 1228 1 1 8 LYS HD2 H -5.607 0.202 -9.402 1.00 . A A . 9 LYS HD2 1 1
5 1229 1 1 8 LYS HD3 H -4.235 1.289 -9.628 1.00 . A A . 9 LYS HD3 1 1
5 1230 1 1 8 LYS HE2 H -2.702 -0.605 -9.293 1.00 . A A . 9 LYS HE2 1 1
5 1231 1 1 8 LYS HE3 H -4.088 -1.682 -9.110 1.00 . A A . 9 LYS HE3 1 1
5 1232 1 1 8 LYS HG2 H -4.964 1.541 -7.389 1.00 . A A . 9 LYS HG2 1 1
5 1233 1 1 8 LYS HG3 H -3.454 0.635 -7.341 1.00 . A A . 9 LYS HG3 1 1
5 1234 1 1 8 LYS HZ1 H -3.127 -1.712 -11.360 1.00 . A A . 9 LYS HZ1 1 1
5 1235 1 1 8 LYS HZ2 H -3.512 -0.070 -11.537 1.00 . A A . 9 LYS HZ2 1 1
5 1236 1 1 8 LYS HZ3 H -4.745 -1.221 -11.354 1.00 . A A . 9 LYS HZ3 1 1
5 1237 1 1 8 LYS N N -5.390 -1.671 -4.705 1.00 . A A . 9 LYS N 1 1
5 1238 1 1 8 LYS NZ N -3.779 -0.959 -11.059 1.00 . A A . 9 LYS NZ 1 1
5 1239 1 1 8 LYS O O -5.417 1.920 -5.133 1.00 . A A . 9 LYS O 1 1
5 1240 1 1 9 THR C C -6.365 2.333 -2.081 1.00 . A A . 10 THR C 1 1
5 1241 1 1 9 THR CA C -7.244 1.605 -3.101 1.00 . A A . 10 THR CA 1 1
5 1242 1 1 9 THR CB C -8.481 1.042 -2.386 1.00 . A A . 10 THR CB 1 1
5 1243 1 1 9 THR CG2 C -9.745 1.760 -2.835 1.00 . A A . 10 THR CG2 1 1
5 1244 1 1 9 THR H H -6.661 -0.392 -3.465 1.00 . A A . 10 THR H 1 1
5 1245 1 1 9 THR HA H -7.569 2.303 -3.858 1.00 . A A . 10 THR HA 1 1
5 1246 1 1 9 THR HB H -8.359 1.186 -1.323 1.00 . A A . 10 THR HB 1 1
5 1247 1 1 9 THR HG1 H -9.168 -0.509 -3.429 1.00 . A A . 10 THR HG1 1 1
5 1248 1 1 9 THR HG21 H -10.597 1.364 -2.301 1.00 . A A . 10 THR HG21 1 1
5 1249 1 1 9 THR HG22 H -9.887 1.610 -3.896 1.00 . A A . 10 THR HG22 1 1
5 1250 1 1 9 THR HG23 H -9.649 2.816 -2.631 1.00 . A A . 10 THR HG23 1 1
5 1251 1 1 9 THR N N -6.505 0.534 -3.748 1.00 . A A . 10 THR N 1 1
5 1252 1 1 9 THR O O -6.442 3.554 -1.941 1.00 . A A . 10 THR O 1 1
5 1253 1 1 9 THR OG1 O -8.592 -0.369 -2.658 1.00 . A A . 10 THR OG1 1 1
5 1254 1 1 10 PHE C C -3.146 2.104 -0.990 1.00 . A A . 11 PHE C 1 1
5 1255 1 1 10 PHE CA C -4.591 2.176 -0.437 1.00 . A A . 11 PHE CA 1 1
5 1256 1 1 10 PHE CB C -4.662 1.399 0.884 1.00 . A A . 11 PHE CB 1 1
5 1257 1 1 10 PHE CD1 C -2.510 1.727 2.143 1.00 . A A . 11 PHE CD1 1 1
5 1258 1 1 10 PHE CD2 C -4.455 2.879 2.898 1.00 . A A . 11 PHE CD2 1 1
5 1259 1 1 10 PHE CE1 C -1.774 2.292 3.165 1.00 . A A . 11 PHE CE1 1 1
5 1260 1 1 10 PHE CE2 C -3.723 3.447 3.923 1.00 . A A . 11 PHE CE2 1 1
5 1261 1 1 10 PHE CG C -3.858 2.015 1.997 1.00 . A A . 11 PHE CG 1 1
5 1262 1 1 10 PHE CZ C -2.382 3.155 4.056 1.00 . A A . 11 PHE CZ 1 1
5 1263 1 1 10 PHE H H -5.468 0.627 -1.568 1.00 . A A . 11 PHE H 1 1
5 1264 1 1 10 PHE HA H -4.911 3.190 -0.254 1.00 . A A . 11 PHE HA 1 1
5 1265 1 1 10 PHE HB2 H -5.690 1.348 1.211 1.00 . A A . 11 PHE HB2 1 1
5 1266 1 1 10 PHE HB3 H -4.292 0.397 0.724 1.00 . A A . 11 PHE HB3 1 1
5 1267 1 1 10 PHE HD1 H -2.033 1.056 1.445 1.00 . A A . 11 PHE HD1 1 1
5 1268 1 1 10 PHE HD2 H -5.506 3.110 2.798 1.00 . A A . 11 PHE HD2 1 1
5 1269 1 1 10 PHE HE1 H -0.725 2.058 3.269 1.00 . A A . 11 PHE HE1 1 1
5 1270 1 1 10 PHE HE2 H -4.200 4.121 4.618 1.00 . A A . 11 PHE HE2 1 1
5 1271 1 1 10 PHE HZ H -1.810 3.599 4.856 1.00 . A A . 11 PHE HZ 1 1
5 1272 1 1 10 PHE N N -5.504 1.589 -1.403 1.00 . A A . 11 PHE N 1 1
5 1273 1 1 10 PHE O O -2.615 0.997 -1.093 1.00 . A A . 11 PHE O 1 1
5 1274 1 1 11 THR C C -0.262 4.167 -1.053 1.00 . A A . 12 THR C 1 1
5 1275 1 1 11 THR CA C -1.119 3.166 -1.824 1.00 . A A . 12 THR CA 1 1
5 1276 1 1 11 THR CB C -1.006 3.449 -3.337 1.00 . A A . 12 THR CB 1 1
5 1277 1 1 11 THR CG2 C 0.425 3.261 -3.828 1.00 . A A . 12 THR CG2 1 1
5 1278 1 1 11 THR H H -2.949 4.098 -1.396 1.00 . A A . 12 THR H 1 1
5 1279 1 1 11 THR HA H -0.750 2.169 -1.633 1.00 . A A . 12 THR HA 1 1
5 1280 1 1 11 THR HB H -1.303 4.471 -3.519 1.00 . A A . 12 THR HB 1 1
5 1281 1 1 11 THR HG1 H -2.305 3.063 -4.773 1.00 . A A . 12 THR HG1 1 1
5 1282 1 1 11 THR HG21 H 1.081 3.933 -3.291 1.00 . A A . 12 THR HG21 1 1
5 1283 1 1 11 THR HG22 H 0.473 3.481 -4.884 1.00 . A A . 12 THR HG22 1 1
5 1284 1 1 11 THR HG23 H 0.736 2.241 -3.658 1.00 . A A . 12 THR HG23 1 1
5 1285 1 1 11 THR N N -2.501 3.228 -1.376 1.00 . A A . 12 THR N 1 1
5 1286 1 1 11 THR O O -0.440 5.380 -1.179 1.00 . A A . 12 THR O 1 1
5 1287 1 1 11 THR OG1 O -1.878 2.572 -4.064 1.00 . A A . 12 THR OG1 1 1
5 1288 1 1 12 SER C C 2.993 4.003 0.363 1.00 . A A . 13 SER C 1 1
5 1289 1 1 12 SER CA C 1.553 4.503 0.519 1.00 . A A . 13 SER CA 1 1
5 1290 1 1 12 SER CB C 1.159 4.535 1.998 1.00 . A A . 13 SER CB 1 1
5 1291 1 1 12 SER H H 0.684 2.683 -0.109 1.00 . A A . 13 SER H 1 1
5 1292 1 1 12 SER HA H 1.474 5.502 0.117 1.00 . A A . 13 SER HA 1 1
5 1293 1 1 12 SER HB2 H 1.180 3.534 2.399 1.00 . A A . 13 SER HB2 1 1
5 1294 1 1 12 SER HB3 H 1.854 5.158 2.543 1.00 . A A . 13 SER HB3 1 1
5 1295 1 1 12 SER HG H -0.534 5.212 1.290 1.00 . A A . 13 SER HG 1 1
5 1296 1 1 12 SER N N 0.635 3.656 -0.224 1.00 . A A . 13 SER N 1 1
5 1297 1 1 12 SER O O 3.311 2.883 0.761 1.00 . A A . 13 SER O 1 1
5 1298 1 1 12 SER OG O -0.148 5.059 2.157 1.00 . A A . 13 SER OG 1 1
5 1299 1 1 13 CYS C C 6.115 5.644 0.102 1.00 . A A . 14 CYS C 1 1
5 1300 1 1 13 CYS CA C 5.258 4.482 -0.378 1.00 . A A . 14 CYS CA 1 1
5 1301 1 1 13 CYS CB C 5.590 4.163 -1.838 1.00 . A A . 14 CYS CB 1 1
5 1302 1 1 13 CYS H H 3.536 5.678 -0.604 1.00 . A A . 14 CYS H 1 1
5 1303 1 1 13 CYS HA H 5.460 3.613 0.233 1.00 . A A . 14 CYS HA 1 1
5 1304 1 1 13 CYS HB2 H 5.493 5.066 -2.425 1.00 . A A . 14 CYS HB2 1 1
5 1305 1 1 13 CYS HB3 H 6.610 3.812 -1.896 1.00 . A A . 14 CYS HB3 1 1
5 1306 1 1 13 CYS N N 3.852 4.821 -0.238 1.00 . A A . 14 CYS N 1 1
5 1307 1 1 13 CYS O O 6.079 6.721 -0.496 1.00 . A A . 14 CYS O 1 1
5 1308 1 1 13 CYS SG S 4.523 2.893 -2.596 1.00 . A A . 14 CYS SG 1 1
5 1309 1 1 14 LYS C C 6.966 7.610 2.340 1.00 . A A . 15 LYS C 1 1
5 1310 1 1 14 LYS CA C 7.756 6.444 1.745 1.00 . A A . 15 LYS CA 1 1
5 1311 1 1 14 LYS CB C 8.719 6.942 0.664 1.00 . A A . 15 LYS CB 1 1
5 1312 1 1 14 LYS CD C 9.964 8.986 -0.107 1.00 . A A . 15 LYS CD 1 1
5 1313 1 1 14 LYS CE C 8.802 9.859 -0.583 1.00 . A A . 15 LYS CE 1 1
5 1314 1 1 14 LYS CG C 9.579 8.120 1.085 1.00 . A A . 15 LYS CG 1 1
5 1315 1 1 14 LYS H H 6.782 4.563 1.650 1.00 . A A . 15 LYS H 1 1
5 1316 1 1 14 LYS HA H 8.327 5.978 2.534 1.00 . A A . 15 LYS HA 1 1
5 1317 1 1 14 LYS HB2 H 9.373 6.130 0.386 1.00 . A A . 15 LYS HB2 1 1
5 1318 1 1 14 LYS HB3 H 8.145 7.234 -0.201 1.00 . A A . 15 LYS HB3 1 1
5 1319 1 1 14 LYS HD2 H 10.785 9.626 0.177 1.00 . A A . 15 LYS HD2 1 1
5 1320 1 1 14 LYS HD3 H 10.274 8.342 -0.920 1.00 . A A . 15 LYS HD3 1 1
5 1321 1 1 14 LYS HE2 H 8.478 10.476 0.242 1.00 . A A . 15 LYS HE2 1 1
5 1322 1 1 14 LYS HE3 H 9.153 10.494 -1.382 1.00 . A A . 15 LYS HE3 1 1
5 1323 1 1 14 LYS HG2 H 9.027 8.721 1.792 1.00 . A A . 15 LYS HG2 1 1
5 1324 1 1 14 LYS HG3 H 10.478 7.747 1.551 1.00 . A A . 15 LYS HG3 1 1
5 1325 1 1 14 LYS HZ1 H 7.193 8.551 -0.286 1.00 . A A . 15 LYS HZ1 1 1
5 1326 1 1 14 LYS HZ2 H 7.952 8.369 -1.792 1.00 . A A . 15 LYS HZ2 1 1
5 1327 1 1 14 LYS HZ3 H 6.932 9.689 -1.515 1.00 . A A . 15 LYS HZ3 1 1
5 1328 1 1 14 LYS N N 6.856 5.428 1.194 1.00 . A A . 15 LYS N 1 1
5 1329 1 1 14 LYS NZ N 7.640 9.065 -1.077 1.00 . A A . 15 LYS NZ 1 1
5 1330 1 1 14 LYS O O 6.744 7.608 3.570 1.00 . A A . 15 LYS O 1 1
5 1331 1 1 14 LYS OXT O 6.570 8.520 1.578 1.00 . A A . 15 LYS OXT 1 1
5 1332 2 2 1 . C1 C 8.452 -3.351 -0.952 1.00 . B A . 101 OCA C1 1 1
5 1333 2 2 1 . C2 C 7.517 -3.754 0.181 1.00 . B A . 101 OCA C2 1 1
5 1334 2 2 1 . C3 C 8.231 -4.329 1.391 1.00 . B A . 101 OCA C3 1 1
5 1335 2 2 1 . C4 C 7.239 -4.997 2.333 1.00 . B A . 101 OCA C4 1 1
5 1336 2 2 1 . C5 C 7.659 -4.867 3.787 1.00 . B A . 101 OCA C5 1 1
5 1337 2 2 1 . C6 C 7.088 -3.608 4.430 1.00 . B A . 101 OCA C6 1 1
5 1338 2 2 1 . C7 C 8.097 -2.466 4.441 1.00 . B A . 101 OCA C7 1 1
5 1339 2 2 1 . C8 C 9.306 -2.792 5.292 1.00 . B A . 101 OCA C8 1 1
5 1340 2 2 1 . H21 H 6.828 -4.495 -0.195 1.00 . B A . 101 OCA H21 1 1
5 1341 2 2 1 . H22 H 6.965 -2.880 0.492 1.00 . B A . 101 OCA H22 1 1
5 1342 2 2 1 . H31 H 8.957 -5.059 1.060 1.00 . B A . 101 OCA H31 1 1
5 1343 2 2 1 . H32 H 8.733 -3.530 1.915 1.00 . B A . 101 OCA H32 1 1
5 1344 2 2 1 . H41 H 6.273 -4.533 2.209 1.00 . B A . 101 OCA H41 1 1
5 1345 2 2 1 . H42 H 7.170 -6.047 2.081 1.00 . B A . 101 OCA H42 1 1
5 1346 2 2 1 . H51 H 7.302 -5.730 4.331 1.00 . B A . 101 OCA H51 1 1
5 1347 2 2 1 . H52 H 8.736 -4.829 3.837 1.00 . B A . 101 OCA H52 1 1
5 1348 2 2 1 . H61 H 6.215 -3.297 3.874 1.00 . B A . 101 OCA H61 1 1
5 1349 2 2 1 . H62 H 6.807 -3.834 5.448 1.00 . B A . 101 OCA H62 1 1
5 1350 2 2 1 . H71 H 7.626 -1.582 4.843 1.00 . B A . 101 OCA H71 1 1
5 1351 2 2 1 . H72 H 8.429 -2.275 3.430 1.00 . B A . 101 OCA H72 1 1
5 1352 2 2 1 . H81 H 10.174 -2.284 4.898 1.00 . B A . 101 OCA H81 1 1
5 1353 2 2 1 . H82 H 9.477 -3.858 5.280 1.00 . B A . 101 OCA H82 1 1
5 1354 2 2 1 . H83 H 9.130 -2.468 6.307 1.00 . B A . 101 OCA H83 1 1
5 1355 2 2 1 . O1 O 8.809 -4.116 -1.852 1.00 . B A . 101 OCA O1 1 1
6 1356 1 1 1 PRO C C 7.329 0.164 0.341 1.00 . A A . 2 PRO C 1 1
6 1357 1 1 1 PRO CA C 8.715 -0.369 0.698 1.00 . A A . 2 PRO CA 1 1
6 1358 1 1 1 PRO CB C 9.802 0.524 0.076 1.00 . A A . 2 PRO CB 1 1
6 1359 1 1 1 PRO CD C 9.702 -1.560 -1.144 1.00 . A A . 2 PRO CD 1 1
6 1360 1 1 1 PRO CG C 10.537 -0.332 -0.913 1.00 . A A . 2 PRO CG 1 1
6 1361 1 1 1 PRO HA H 8.829 -0.382 1.772 1.00 . A A . 2 PRO HA 1 1
6 1362 1 1 1 PRO HB2 H 9.334 1.367 -0.410 1.00 . A A . 2 PRO HB2 1 1
6 1363 1 1 1 PRO HB3 H 10.462 0.877 0.854 1.00 . A A . 2 PRO HB3 1 1
6 1364 1 1 1 PRO HD2 H 9.027 -1.411 -1.973 1.00 . A A . 2 PRO HD2 1 1
6 1365 1 1 1 PRO HD3 H 10.332 -2.421 -1.315 1.00 . A A . 2 PRO HD3 1 1
6 1366 1 1 1 PRO HG2 H 10.665 0.207 -1.839 1.00 . A A . 2 PRO HG2 1 1
6 1367 1 1 1 PRO HG3 H 11.500 -0.606 -0.507 1.00 . A A . 2 PRO HG3 1 1
6 1368 1 1 1 PRO N N 8.970 -1.689 0.115 1.00 . A A . 2 PRO N 1 1
6 1369 1 1 1 PRO O O 6.883 1.184 0.869 1.00 . A A . 2 PRO O 1 1
6 1370 1 1 2 CYS C C 4.296 -1.130 -0.442 1.00 . A A . 3 CYS C 1 1
6 1371 1 1 2 CYS CA C 5.320 -0.141 -0.983 1.00 . A A . 3 CYS CA 1 1
6 1372 1 1 2 CYS CB C 5.237 -0.077 -2.512 1.00 . A A . 3 CYS CB 1 1
6 1373 1 1 2 CYS H H 7.059 -1.344 -0.937 1.00 . A A . 3 CYS H 1 1
6 1374 1 1 2 CYS HA H 5.120 0.838 -0.578 1.00 . A A . 3 CYS HA 1 1
6 1375 1 1 2 CYS HB2 H 5.484 -1.046 -2.922 1.00 . A A . 3 CYS HB2 1 1
6 1376 1 1 2 CYS HB3 H 4.229 0.183 -2.799 1.00 . A A . 3 CYS HB3 1 1
6 1377 1 1 2 CYS N N 6.652 -0.537 -0.555 1.00 . A A . 3 CYS N 1 1
6 1378 1 1 2 CYS O O 4.301 -2.303 -0.812 1.00 . A A . 3 CYS O 1 1
6 1379 1 1 2 CYS SG S 6.360 1.147 -3.262 1.00 . A A . 3 CYS SG 1 1
6 1380 1 1 3 LYS C C 1.067 -1.237 0.629 1.00 . A A . 4 LYS C 1 1
6 1381 1 1 3 LYS CA C 2.480 -1.530 1.101 1.00 . A A . 4 LYS CA 1 1
6 1382 1 1 3 LYS CB C 2.570 -1.387 2.627 1.00 . A A . 4 LYS CB 1 1
6 1383 1 1 3 LYS CD C 2.815 0.149 4.612 1.00 . A A . 4 LYS CD 1 1
6 1384 1 1 3 LYS CE C 4.243 -0.206 5.009 1.00 . A A . 4 LYS CE 1 1
6 1385 1 1 3 LYS CG C 2.603 0.058 3.112 1.00 . A A . 4 LYS CG 1 1
6 1386 1 1 3 LYS H H 3.432 0.299 0.662 1.00 . A A . 4 LYS H 1 1
6 1387 1 1 3 LYS HA H 2.728 -2.547 0.834 1.00 . A A . 4 LYS HA 1 1
6 1388 1 1 3 LYS HB2 H 1.709 -1.868 3.069 1.00 . A A . 4 LYS HB2 1 1
6 1389 1 1 3 LYS HB3 H 3.457 -1.882 2.977 1.00 . A A . 4 LYS HB3 1 1
6 1390 1 1 3 LYS HD2 H 2.607 1.159 4.934 1.00 . A A . 4 LYS HD2 1 1
6 1391 1 1 3 LYS HD3 H 2.134 -0.532 5.102 1.00 . A A . 4 LYS HD3 1 1
6 1392 1 1 3 LYS HE2 H 4.306 -0.241 6.087 1.00 . A A . 4 LYS HE2 1 1
6 1393 1 1 3 LYS HE3 H 4.484 -1.179 4.604 1.00 . A A . 4 LYS HE3 1 1
6 1394 1 1 3 LYS HG2 H 3.411 0.574 2.616 1.00 . A A . 4 LYS HG2 1 1
6 1395 1 1 3 LYS HG3 H 1.665 0.531 2.861 1.00 . A A . 4 LYS HG3 1 1
6 1396 1 1 3 LYS HZ1 H 6.183 0.571 4.860 1.00 . A A . 4 LYS HZ1 1 1
6 1397 1 1 3 LYS HZ2 H 4.961 1.750 4.812 1.00 . A A . 4 LYS HZ2 1 1
6 1398 1 1 3 LYS HZ3 H 5.251 0.774 3.461 1.00 . A A . 4 LYS HZ3 1 1
6 1399 1 1 3 LYS N N 3.438 -0.662 0.451 1.00 . A A . 4 LYS N 1 1
6 1400 1 1 3 LYS NZ N 5.228 0.790 4.498 1.00 . A A . 4 LYS NZ 1 1
6 1401 1 1 3 LYS O O 0.550 -0.135 0.822 1.00 . A A . 4 LYS O 1 1
6 1402 1 1 4 ASN C C -1.646 -3.258 0.493 1.00 . A A . 5 ASN C 1 1
6 1403 1 1 4 ASN CA C -0.966 -2.136 -0.290 1.00 . A A . 5 ASN CA 1 1
6 1404 1 1 4 ASN CB C -1.249 -2.318 -1.790 1.00 . A A . 5 ASN CB 1 1
6 1405 1 1 4 ASN CG C -0.365 -1.458 -2.679 1.00 . A A . 5 ASN CG 1 1
6 1406 1 1 4 ASN H H 0.962 -2.999 -0.308 1.00 . A A . 5 ASN H 1 1
6 1407 1 1 4 ASN HA H -1.326 -1.171 0.034 1.00 . A A . 5 ASN HA 1 1
6 1408 1 1 4 ASN HB2 H -1.086 -3.350 -2.052 1.00 . A A . 5 ASN HB2 1 1
6 1409 1 1 4 ASN HB3 H -2.280 -2.062 -1.986 1.00 . A A . 5 ASN HB3 1 1
6 1410 1 1 4 ASN HD21 H 0.931 -2.949 -2.878 1.00 . A A . 5 ASN HD21 1 1
6 1411 1 1 4 ASN HD22 H 1.332 -1.492 -3.709 1.00 . A A . 5 ASN HD22 1 1
6 1412 1 1 4 ASN N N 0.454 -2.214 -0.019 1.00 . A A . 5 ASN N 1 1
6 1413 1 1 4 ASN ND2 N 0.745 -2.024 -3.134 1.00 . A A . 5 ASN ND2 1 1
6 1414 1 1 4 ASN O O -1.467 -4.430 0.168 1.00 . A A . 5 ASN O 1 1
6 1415 1 1 4 ASN OD1 O -0.679 -0.307 -2.971 1.00 . A A . 5 ASN OD1 1 1
6 1416 1 1 5 . C C -4.237 -4.548 1.595 1.00 . A A . 6 O6H C 1 1
6 1417 1 1 5 . CA C -3.073 -3.911 2.343 1.00 . A A . 6 O6H CA 1 1
6 1418 1 1 5 . CB C -3.534 -3.318 3.676 1.00 . A A . 6 O6H CB 1 1
6 1419 1 1 5 . CD1 C -1.688 -3.722 5.359 1.00 . A A . 6 O6H CD1 1 1
6 1420 1 1 5 . CD2 C -2.039 -1.496 4.587 1.00 . A A . 6 O6H CD2 1 1
6 1421 1 1 5 . CE1 C -0.655 -3.284 6.164 1.00 . A A . 6 O6H CE1 1 1
6 1422 1 1 5 . CE2 C -1.010 -1.047 5.387 1.00 . A A . 6 O6H CE2 1 1
6 1423 1 1 5 . CF1 C -2.040 -5.180 5.359 1.00 . A A . 6 O6H CF1 1 1
6 1424 1 1 5 . CF2 C -2.771 -0.506 3.739 1.00 . A A . 6 O6H CF2 1 1
6 1425 1 1 5 . CG C -2.401 -2.837 4.553 1.00 . A A . 6 O6H CG 1 1
6 1426 1 1 5 . CH C 0.794 -1.458 7.044 1.00 . A A . 6 O6H CH 1 1
6 1427 1 1 5 . CZ C -0.324 -1.945 6.174 1.00 . A A . 6 O6H CZ 1 1
6 1428 1 1 5 . H1 H -2.473 -1.970 1.787 1.00 . A A . 6 O6H H1 1 1
6 1429 1 1 5 . HA H -2.352 -4.690 2.554 1.00 . A A . 6 O6H HA 1 1
6 1430 1 1 5 . HB1 H -4.082 -4.071 4.224 1.00 . A A . 6 O6H HB1 1 1
6 1431 1 1 5 . HB2 H -4.184 -2.478 3.483 1.00 . A A . 6 O6H HB2 1 1
6 1432 1 1 5 . HE1 H -0.112 -3.984 6.782 1.00 . A A . 6 O6H HE1 1 1
6 1433 1 1 5 . HE2 H -0.746 -0.001 5.401 1.00 . A A . 6 O6H HE2 1 1
6 1434 1 1 5 . HF11 H -2.514 -5.504 6.274 1.00 . A A . 6 O6H HF11 1 1
6 1435 1 1 5 . HF12 H -1.184 -5.827 5.237 1.00 . A A . 6 O6H HF12 1 1
6 1436 1 1 5 . HF13 H -2.723 -5.457 4.569 1.00 . A A . 6 O6H HF13 1 1
6 1437 1 1 5 . HF21 H -3.404 0.158 4.306 1.00 . A A . 6 O6H HF21 1 1
6 1438 1 1 5 . HF22 H -2.114 0.138 3.176 1.00 . A A . 6 O6H HF22 1 1
6 1439 1 1 5 . HF23 H -3.417 -0.966 3.006 1.00 . A A . 6 O6H HF23 1 1
6 1440 1 1 5 . HH1 H 1.375 -2.255 7.482 1.00 . A A . 6 O6H HH1 1 1
6 1441 1 1 5 . HH2 H 0.458 -0.857 7.876 1.00 . A A . 6 O6H HH2 1 1
6 1442 1 1 5 . HH3 H 1.506 -0.841 6.516 1.00 . A A . 6 O6H HH3 1 1
6 1443 1 1 5 . N N -2.389 -2.913 1.538 1.00 . A A . 6 O6H N 1 1
6 1444 1 1 5 . O O -4.479 -5.748 1.703 1.00 . A A . 6 O6H O 1 1
6 1445 1 1 6 PHE C C -6.134 -4.222 -1.256 1.00 . A A . 7 PHE C 1 1
6 1446 1 1 6 PHE CA C -6.232 -4.155 0.262 1.00 . A A . 7 PHE CA 1 1
6 1447 1 1 6 PHE CB C -7.358 -3.200 0.676 1.00 . A A . 7 PHE CB 1 1
6 1448 1 1 6 PHE CD1 C -6.764 -1.125 1.949 1.00 . A A . 7 PHE CD1 1 1
6 1449 1 1 6 PHE CD2 C -7.084 -3.146 3.176 1.00 . A A . 7 PHE CD2 1 1
6 1450 1 1 6 PHE CE1 C -6.468 -0.457 3.120 1.00 . A A . 7 PHE CE1 1 1
6 1451 1 1 6 PHE CE2 C -6.795 -2.481 4.351 1.00 . A A . 7 PHE CE2 1 1
6 1452 1 1 6 PHE CG C -7.074 -2.474 1.962 1.00 . A A . 7 PHE CG 1 1
6 1453 1 1 6 PHE CZ C -6.482 -1.134 4.322 1.00 . A A . 7 PHE CZ 1 1
6 1454 1 1 6 PHE H H -4.661 -2.809 0.711 1.00 . A A . 7 PHE H 1 1
6 1455 1 1 6 PHE HA H -6.455 -5.143 0.640 1.00 . A A . 7 PHE HA 1 1
6 1456 1 1 6 PHE HB2 H -7.499 -2.462 -0.100 1.00 . A A . 7 PHE HB2 1 1
6 1457 1 1 6 PHE HB3 H -8.271 -3.764 0.804 1.00 . A A . 7 PHE HB3 1 1
6 1458 1 1 6 PHE HD1 H -6.753 -0.593 1.009 1.00 . A A . 7 PHE HD1 1 1
6 1459 1 1 6 PHE HD2 H -7.328 -4.198 3.198 1.00 . A A . 7 PHE HD2 1 1
6 1460 1 1 6 PHE HE1 H -6.233 0.597 3.095 1.00 . A A . 7 PHE HE1 1 1
6 1461 1 1 6 PHE HE2 H -6.806 -3.014 5.290 1.00 . A A . 7 PHE HE2 1 1
6 1462 1 1 6 PHE HZ H -6.239 -0.618 5.236 1.00 . A A . 7 PHE HZ 1 1
6 1463 1 1 6 PHE N N -4.970 -3.726 0.857 1.00 . A A . 7 PHE N 1 1
6 1464 1 1 6 PHE O O -6.950 -4.860 -1.913 1.00 . A A . 7 PHE O 1 1
6 1465 1 1 7 DTR C C -4.851 -2.064 -3.776 1.00 . A A . 8 DTR C 1 1
6 1466 1 1 7 DTR CA C -4.960 -3.500 -3.250 1.00 . A A . 8 DTR CA 1 1
6 1467 1 1 7 DTR CB C -3.715 -4.308 -3.644 1.00 . A A . 8 DTR CB 1 1
6 1468 1 1 7 DTR CD1 C -2.128 -3.682 -5.560 1.00 . A A . 8 DTR CD1 1 1
6 1469 1 1 7 DTR CD2 C -4.126 -4.432 -6.234 1.00 . A A . 8 DTR CD2 1 1
6 1470 1 1 7 DTR CE2 C -3.355 -4.120 -7.369 1.00 . A A . 8 DTR CE2 1 1
6 1471 1 1 7 DTR CE3 C -5.423 -4.922 -6.415 1.00 . A A . 8 DTR CE3 1 1
6 1472 1 1 7 DTR CG C -3.321 -4.148 -5.084 1.00 . A A . 8 DTR CG 1 1
6 1473 1 1 7 DTR CH2 C -5.109 -4.759 -8.811 1.00 . A A . 8 DTR CH2 1 1
6 1474 1 1 7 DTR CZ2 C -3.837 -4.281 -8.663 1.00 . A A . 8 DTR CZ2 1 1
6 1475 1 1 7 DTR CZ3 C -5.901 -5.079 -7.701 1.00 . A A . 8 DTR CZ3 1 1
6 1476 1 1 7 DTR H H -4.538 -3.026 -1.241 1.00 . A A . 8 DTR H 1 1
6 1477 1 1 7 DTR HA H -5.796 -4.008 -3.709 1.00 . A A . 8 DTR HA 1 1
6 1478 1 1 7 DTR HB2 H -2.883 -3.991 -3.035 1.00 . A A . 8 DTR HB2 1 1
6 1479 1 1 7 DTR HB3 H -3.906 -5.358 -3.464 1.00 . A A . 8 DTR HB3 1 1
6 1480 1 1 7 DTR HD1 H -1.302 -3.378 -4.935 1.00 . A A . 8 DTR HD1 1 1
6 1481 1 1 7 DTR HE1 H -1.391 -3.381 -7.507 1.00 . A A . 8 DTR HE1 1 1
6 1482 1 1 7 DTR HE3 H -6.048 -5.176 -5.571 1.00 . A A . 8 DTR HE3 1 1
6 1483 1 1 7 DTR HH2 H -5.524 -4.895 -9.800 1.00 . A A . 8 DTR HH2 1 1
6 1484 1 1 7 DTR HZ2 H -3.241 -4.036 -9.530 1.00 . A A . 8 DTR HZ2 1 1
6 1485 1 1 7 DTR HZ3 H -6.901 -5.453 -7.862 1.00 . A A . 8 DTR HZ3 1 1
6 1486 1 1 7 DTR N N -5.151 -3.529 -1.811 1.00 . A A . 8 DTR N 1 1
6 1487 1 1 7 DTR NE1 N -2.138 -3.669 -6.932 1.00 . A A . 8 DTR NE1 1 1
6 1488 1 1 7 DTR O O -3.985 -1.311 -3.334 1.00 . A A . 8 DTR O 1 1
6 1489 1 1 8 LYS C C -6.350 0.716 -4.589 1.00 . A A . 9 LYS C 1 1
6 1490 1 1 8 LYS CA C -5.613 -0.378 -5.362 1.00 . A A . 9 LYS CA 1 1
6 1491 1 1 8 LYS CB C -6.144 -0.487 -6.799 1.00 . A A . 9 LYS CB 1 1
6 1492 1 1 8 LYS CD C -4.520 1.149 -7.826 1.00 . A A . 9 LYS CD 1 1
6 1493 1 1 8 LYS CE C -3.811 0.165 -8.743 1.00 . A A . 9 LYS CE 1 1
6 1494 1 1 8 LYS CG C -5.983 0.780 -7.628 1.00 . A A . 9 LYS CG 1 1
6 1495 1 1 8 LYS H H -6.493 -2.245 -4.926 1.00 . A A . 9 LYS H 1 1
6 1496 1 1 8 LYS HA H -4.564 -0.128 -5.396 1.00 . A A . 9 LYS HA 1 1
6 1497 1 1 8 LYS HB2 H -5.620 -1.284 -7.302 1.00 . A A . 9 LYS HB2 1 1
6 1498 1 1 8 LYS HB3 H -7.194 -0.733 -6.761 1.00 . A A . 9 LYS HB3 1 1
6 1499 1 1 8 LYS HD2 H -4.465 2.135 -8.263 1.00 . A A . 9 LYS HD2 1 1
6 1500 1 1 8 LYS HD3 H -4.025 1.152 -6.865 1.00 . A A . 9 LYS HD3 1 1
6 1501 1 1 8 LYS HE2 H -2.773 0.450 -8.826 1.00 . A A . 9 LYS HE2 1 1
6 1502 1 1 8 LYS HE3 H -3.879 -0.825 -8.312 1.00 . A A . 9 LYS HE3 1 1
6 1503 1 1 8 LYS HG2 H -6.434 0.622 -8.596 1.00 . A A . 9 LYS HG2 1 1
6 1504 1 1 8 LYS HG3 H -6.486 1.593 -7.125 1.00 . A A . 9 LYS HG3 1 1
6 1505 1 1 8 LYS HZ1 H -4.522 1.119 -10.462 1.00 . A A . 9 LYS HZ1 1 1
6 1506 1 1 8 LYS HZ2 H -5.356 -0.310 -10.073 1.00 . A A . 9 LYS HZ2 1 1
6 1507 1 1 8 LYS HZ3 H -3.806 -0.391 -10.760 1.00 . A A . 9 LYS HZ3 1 1
6 1508 1 1 8 LYS N N -5.737 -1.667 -4.693 1.00 . A A . 9 LYS N 1 1
6 1509 1 1 8 LYS NZ N -4.416 0.145 -10.101 1.00 . A A . 9 LYS NZ 1 1
6 1510 1 1 8 LYS O O -6.346 1.885 -4.975 1.00 . A A . 9 LYS O 1 1
6 1511 1 1 9 THR C C -6.706 2.094 -1.772 1.00 . A A . 10 THR C 1 1
6 1512 1 1 9 THR CA C -7.672 1.302 -2.652 1.00 . A A . 10 THR CA 1 1
6 1513 1 1 9 THR CB C -8.723 0.602 -1.770 1.00 . A A . 10 THR CB 1 1
6 1514 1 1 9 THR CG2 C -9.925 0.171 -2.597 1.00 . A A . 10 THR CG2 1 1
6 1515 1 1 9 THR H H -6.961 -0.605 -3.221 1.00 . A A . 10 THR H 1 1
6 1516 1 1 9 THR HA H -8.187 1.990 -3.308 1.00 . A A . 10 THR HA 1 1
6 1517 1 1 9 THR HB H -9.056 1.299 -1.014 1.00 . A A . 10 THR HB 1 1
6 1518 1 1 9 THR HG1 H -8.645 -0.745 -0.325 1.00 . A A . 10 THR HG1 1 1
6 1519 1 1 9 THR HG21 H -9.604 -0.501 -3.379 1.00 . A A . 10 THR HG21 1 1
6 1520 1 1 9 THR HG22 H -10.389 1.042 -3.038 1.00 . A A . 10 THR HG22 1 1
6 1521 1 1 9 THR HG23 H -10.637 -0.334 -1.962 1.00 . A A . 10 THR HG23 1 1
6 1522 1 1 9 THR N N -6.964 0.340 -3.479 1.00 . A A . 10 THR N 1 1
6 1523 1 1 9 THR O O -6.937 3.267 -1.478 1.00 . A A . 10 THR O 1 1
6 1524 1 1 9 THR OG1 O -8.140 -0.542 -1.126 1.00 . A A . 10 THR OG1 1 1
6 1525 1 1 10 PHE C C -3.197 1.876 -1.213 1.00 . A A . 11 PHE C 1 1
6 1526 1 1 10 PHE CA C -4.592 2.126 -0.579 1.00 . A A . 11 PHE CA 1 1
6 1527 1 1 10 PHE CB C -4.602 1.565 0.845 1.00 . A A . 11 PHE CB 1 1
6 1528 1 1 10 PHE CD1 C -4.583 3.165 2.770 1.00 . A A . 11 PHE CD1 1 1
6 1529 1 1 10 PHE CD2 C -2.490 2.485 1.855 1.00 . A A . 11 PHE CD2 1 1
6 1530 1 1 10 PHE CE1 C -3.926 3.952 3.693 1.00 . A A . 11 PHE CE1 1 1
6 1531 1 1 10 PHE CE2 C -1.828 3.273 2.777 1.00 . A A . 11 PHE CE2 1 1
6 1532 1 1 10 PHE CG C -3.875 2.422 1.842 1.00 . A A . 11 PHE CG 1 1
6 1533 1 1 10 PHE CZ C -2.547 4.005 3.698 1.00 . A A . 11 PHE CZ 1 1
6 1534 1 1 10 PHE H H -5.485 0.522 -1.609 1.00 . A A . 11 PHE H 1 1
6 1535 1 1 10 PHE HA H -4.837 3.176 -0.531 1.00 . A A . 11 PHE HA 1 1
6 1536 1 1 10 PHE HB2 H -5.624 1.466 1.176 1.00 . A A . 11 PHE HB2 1 1
6 1537 1 1 10 PHE HB3 H -4.135 0.589 0.842 1.00 . A A . 11 PHE HB3 1 1
6 1538 1 1 10 PHE HD1 H -5.663 3.124 2.770 1.00 . A A . 11 PHE HD1 1 1
6 1539 1 1 10 PHE HD2 H -1.926 1.914 1.131 1.00 . A A . 11 PHE HD2 1 1
6 1540 1 1 10 PHE HE1 H -4.491 4.526 4.413 1.00 . A A . 11 PHE HE1 1 1
6 1541 1 1 10 PHE HE2 H -0.749 3.315 2.779 1.00 . A A . 11 PHE HE2 1 1
6 1542 1 1 10 PHE HZ H -2.033 4.620 4.420 1.00 . A A . 11 PHE HZ 1 1
6 1543 1 1 10 PHE N N -5.612 1.459 -1.368 1.00 . A A . 11 PHE N 1 1
6 1544 1 1 10 PHE O O -2.726 0.742 -1.165 1.00 . A A . 11 PHE O 1 1
6 1545 1 1 11 THR C C -0.191 3.583 -1.641 1.00 . A A . 12 THR C 1 1
6 1546 1 1 11 THR CA C -1.186 2.665 -2.340 1.00 . A A . 12 THR CA 1 1
6 1547 1 1 11 THR CB C -1.137 2.907 -3.863 1.00 . A A . 12 THR CB 1 1
6 1548 1 1 11 THR CG2 C 0.245 2.598 -4.426 1.00 . A A . 12 THR CG2 1 1
6 1549 1 1 11 THR H H -2.936 3.760 -1.957 1.00 . A A . 12 THR H 1 1
6 1550 1 1 11 THR HA H -0.913 1.637 -2.147 1.00 . A A . 12 THR HA 1 1
6 1551 1 1 11 THR HB H -1.364 3.947 -4.054 1.00 . A A . 12 THR HB 1 1
6 1552 1 1 11 THR HG1 H -2.234 1.271 -4.012 1.00 . A A . 12 THR HG1 1 1
6 1553 1 1 11 THR HG21 H 0.978 3.229 -3.948 1.00 . A A . 12 THR HG21 1 1
6 1554 1 1 11 THR HG22 H 0.249 2.785 -5.490 1.00 . A A . 12 THR HG22 1 1
6 1555 1 1 11 THR HG23 H 0.485 1.562 -4.242 1.00 . A A . 12 THR HG23 1 1
6 1556 1 1 11 THR N N -2.529 2.880 -1.821 1.00 . A A . 12 THR N 1 1
6 1557 1 1 11 THR O O -0.214 4.802 -1.835 1.00 . A A . 12 THR O 1 1
6 1558 1 1 11 THR OG1 O -2.113 2.087 -4.519 1.00 . A A . 12 THR OG1 1 1
6 1559 1 1 12 SER C C 3.052 3.256 -0.199 1.00 . A A . 13 SER C 1 1
6 1560 1 1 12 SER CA C 1.624 3.791 -0.051 1.00 . A A . 13 SER CA 1 1
6 1561 1 1 12 SER CB C 1.218 3.803 1.426 1.00 . A A . 13 SER CB 1 1
6 1562 1 1 12 SER H H 0.680 2.025 -0.736 1.00 . A A . 13 SER H 1 1
6 1563 1 1 12 SER HA H 1.584 4.802 -0.428 1.00 . A A . 13 SER HA 1 1
6 1564 1 1 12 SER HB2 H 1.970 4.323 1.999 1.00 . A A . 13 SER HB2 1 1
6 1565 1 1 12 SER HB3 H 0.272 4.313 1.530 1.00 . A A . 13 SER HB3 1 1
6 1566 1 1 12 SER HG H 0.688 1.916 1.276 1.00 . A A . 13 SER HG 1 1
6 1567 1 1 12 SER N N 0.675 3.002 -0.820 1.00 . A A . 13 SER N 1 1
6 1568 1 1 12 SER O O 3.321 2.093 0.113 1.00 . A A . 13 SER O 1 1
6 1569 1 1 12 SER OG O 1.086 2.487 1.941 1.00 . A A . 13 SER OG 1 1
6 1570 1 1 13 CYS C C 6.125 4.587 0.313 1.00 . A A . 14 CYS C 1 1
6 1571 1 1 13 CYS CA C 5.372 3.738 -0.701 1.00 . A A . 14 CYS CA 1 1
6 1572 1 1 13 CYS CB C 5.964 3.923 -2.101 1.00 . A A . 14 CYS CB 1 1
6 1573 1 1 13 CYS H H 3.690 4.970 -1.023 1.00 . A A . 14 CYS H 1 1
6 1574 1 1 13 CYS HA H 5.455 2.698 -0.416 1.00 . A A . 14 CYS HA 1 1
6 1575 1 1 13 CYS HB2 H 5.809 4.943 -2.419 1.00 . A A . 14 CYS HB2 1 1
6 1576 1 1 13 CYS HB3 H 7.024 3.719 -2.065 1.00 . A A . 14 CYS HB3 1 1
6 1577 1 1 13 CYS N N 3.964 4.095 -0.679 1.00 . A A . 14 CYS N 1 1
6 1578 1 1 13 CYS O O 6.287 5.795 0.133 1.00 . A A . 14 CYS O 1 1
6 1579 1 1 13 CYS SG S 5.232 2.833 -3.365 1.00 . A A . 14 CYS SG 1 1
6 1580 1 1 14 LYS C C 8.325 3.727 3.042 1.00 . A A . 15 LYS C 1 1
6 1581 1 1 14 LYS CA C 7.235 4.624 2.478 1.00 . A A . 15 LYS CA 1 1
6 1582 1 1 14 LYS CB C 6.240 4.979 3.592 1.00 . A A . 15 LYS CB 1 1
6 1583 1 1 14 LYS CD C 6.050 7.440 3.081 1.00 . A A . 15 LYS CD 1 1
6 1584 1 1 14 LYS CE C 5.132 8.645 3.246 1.00 . A A . 15 LYS CE 1 1
6 1585 1 1 14 LYS CG C 5.297 6.131 3.270 1.00 . A A . 15 LYS CG 1 1
6 1586 1 1 14 LYS H H 6.459 2.970 1.428 1.00 . A A . 15 LYS H 1 1
6 1587 1 1 14 LYS HA H 7.682 5.528 2.096 1.00 . A A . 15 LYS HA 1 1
6 1588 1 1 14 LYS HB2 H 5.638 4.108 3.805 1.00 . A A . 15 LYS HB2 1 1
6 1589 1 1 14 LYS HB3 H 6.796 5.241 4.481 1.00 . A A . 15 LYS HB3 1 1
6 1590 1 1 14 LYS HD2 H 6.838 7.499 3.815 1.00 . A A . 15 LYS HD2 1 1
6 1591 1 1 14 LYS HD3 H 6.476 7.458 2.089 1.00 . A A . 15 LYS HD3 1 1
6 1592 1 1 14 LYS HE2 H 4.733 8.636 4.248 1.00 . A A . 15 LYS HE2 1 1
6 1593 1 1 14 LYS HE3 H 5.714 9.544 3.102 1.00 . A A . 15 LYS HE3 1 1
6 1594 1 1 14 LYS HG2 H 4.764 5.902 2.357 1.00 . A A . 15 LYS HG2 1 1
6 1595 1 1 14 LYS HG3 H 4.593 6.245 4.081 1.00 . A A . 15 LYS HG3 1 1
6 1596 1 1 14 LYS HZ1 H 3.497 7.726 2.315 1.00 . A A . 15 LYS HZ1 1 1
6 1597 1 1 14 LYS HZ2 H 4.353 8.792 1.306 1.00 . A A . 15 LYS HZ2 1 1
6 1598 1 1 14 LYS HZ3 H 3.328 9.397 2.514 1.00 . A A . 15 LYS HZ3 1 1
6 1599 1 1 14 LYS N N 6.568 3.945 1.379 1.00 . A A . 15 LYS N 1 1
6 1600 1 1 14 LYS NZ N 4.002 8.638 2.278 1.00 . A A . 15 LYS NZ 1 1
6 1601 1 1 14 LYS O O 7.981 2.749 3.737 1.00 . A A . 15 LYS O 1 1
6 1602 1 1 14 LYS OXT O 9.514 4.003 2.793 1.00 . A A . 15 LYS OXT 1 1
6 1603 2 2 1 . C1 C 8.607 -2.863 0.685 1.00 . B A . 101 OCA C1 1 1
6 1604 2 2 1 . C2 C 7.996 -2.639 2.062 1.00 . B A . 101 OCA C2 1 1
6 1605 2 2 1 . C3 C 9.035 -2.671 3.174 1.00 . B A . 101 OCA C3 1 1
6 1606 2 2 1 . C4 C 8.435 -3.161 4.484 1.00 . B A . 101 OCA C4 1 1
6 1607 2 2 1 . C5 C 9.394 -4.068 5.242 1.00 . B A . 101 OCA C5 1 1
6 1608 2 2 1 . C6 C 9.473 -5.451 4.616 1.00 . B A . 101 OCA C6 1 1
6 1609 2 2 1 . C7 C 9.673 -6.528 5.667 1.00 . B A . 101 OCA C7 1 1
6 1610 2 2 1 . C8 C 9.740 -7.906 5.048 1.00 . B A . 101 OCA C8 1 1
6 1611 2 2 1 . H21 H 7.506 -1.677 2.071 1.00 . B A . 101 OCA H21 1 1
6 1612 2 2 1 . H22 H 7.267 -3.417 2.245 1.00 . B A . 101 OCA H22 1 1
6 1613 2 2 1 . H31 H 9.424 -1.675 3.320 1.00 . B A . 101 OCA H31 1 1
6 1614 2 2 1 . H32 H 9.837 -3.335 2.886 1.00 . B A . 101 OCA H32 1 1
6 1615 2 2 1 . H41 H 8.202 -2.306 5.100 1.00 . B A . 101 OCA H41 1 1
6 1616 2 2 1 . H42 H 7.531 -3.710 4.269 1.00 . B A . 101 OCA H42 1 1
6 1617 2 2 1 . H51 H 10.379 -3.624 5.236 1.00 . B A . 101 OCA H51 1 1
6 1618 2 2 1 . H52 H 9.049 -4.166 6.261 1.00 . B A . 101 OCA H52 1 1
6 1619 2 2 1 . H61 H 8.553 -5.649 4.085 1.00 . B A . 101 OCA H61 1 1
6 1620 2 2 1 . H62 H 10.303 -5.480 3.927 1.00 . B A . 101 OCA H62 1 1
6 1621 2 2 1 . H71 H 8.846 -6.502 6.360 1.00 . B A . 101 OCA H71 1 1
6 1622 2 2 1 . H72 H 10.599 -6.342 6.193 1.00 . B A . 101 OCA H72 1 1
6 1623 2 2 1 . H81 H 10.658 -8.390 5.347 1.00 . B A . 101 OCA H81 1 1
6 1624 2 2 1 . H82 H 9.712 -7.820 3.971 1.00 . B A . 101 OCA H82 1 1
6 1625 2 2 1 . H83 H 8.898 -8.494 5.384 1.00 . B A . 101 OCA H83 1 1
6 1626 2 2 1 . O1 O 8.786 -3.973 0.186 1.00 . B A . 101 OCA O1 1 1
7 1627 1 1 1 PRO C C 7.555 0.124 0.588 1.00 . A A . 2 PRO C 1 1
7 1628 1 1 1 PRO CA C 8.985 -0.257 0.978 1.00 . A A . 2 PRO CA 1 1
7 1629 1 1 1 PRO CB C 9.929 0.939 0.793 1.00 . A A . 2 PRO CB 1 1
7 1630 1 1 1 PRO CD C 10.186 -0.608 -1.063 1.00 . A A . 2 PRO CD 1 1
7 1631 1 1 1 PRO CG C 10.694 0.684 -0.476 1.00 . A A . 2 PRO CG 1 1
7 1632 1 1 1 PRO HA H 9.008 -0.583 2.007 1.00 . A A . 2 PRO HA 1 1
7 1633 1 1 1 PRO HB2 H 9.347 1.848 0.722 1.00 . A A . 2 PRO HB2 1 1
7 1634 1 1 1 PRO HB3 H 10.594 1.005 1.642 1.00 . A A . 2 PRO HB3 1 1
7 1635 1 1 1 PRO HD2 H 9.465 -0.413 -1.844 1.00 . A A . 2 PRO HD2 1 1
7 1636 1 1 1 PRO HD3 H 11.006 -1.200 -1.440 1.00 . A A . 2 PRO HD3 1 1
7 1637 1 1 1 PRO HG2 H 10.526 1.494 -1.169 1.00 . A A . 2 PRO HG2 1 1
7 1638 1 1 1 PRO HG3 H 11.747 0.600 -0.254 1.00 . A A . 2 PRO HG3 1 1
7 1639 1 1 1 PRO N N 9.553 -1.260 0.082 1.00 . A A . 2 PRO N 1 1
7 1640 1 1 1 PRO O O 6.980 1.071 1.132 1.00 . A A . 2 PRO O 1 1
7 1641 1 1 2 CYS C C 4.690 -1.471 -0.312 1.00 . A A . 3 CYS C 1 1
7 1642 1 1 2 CYS CA C 5.624 -0.369 -0.805 1.00 . A A . 3 CYS CA 1 1
7 1643 1 1 2 CYS CB C 5.575 -0.327 -2.339 1.00 . A A . 3 CYS CB 1 1
7 1644 1 1 2 CYS H H 7.483 -1.371 -0.735 1.00 . A A . 3 CYS H 1 1
7 1645 1 1 2 CYS HA H 5.300 0.580 -0.407 1.00 . A A . 3 CYS HA 1 1
7 1646 1 1 2 CYS HB2 H 5.592 -1.338 -2.715 1.00 . A A . 3 CYS HB2 1 1
7 1647 1 1 2 CYS HB3 H 4.651 0.143 -2.642 1.00 . A A . 3 CYS HB3 1 1
7 1648 1 1 2 CYS N N 6.979 -0.629 -0.342 1.00 . A A . 3 CYS N 1 1
7 1649 1 1 2 CYS O O 4.887 -2.646 -0.626 1.00 . A A . 3 CYS O 1 1
7 1650 1 1 2 CYS SG S 6.946 0.575 -3.148 1.00 . A A . 3 CYS SG 1 1
7 1651 1 1 3 LYS C C 1.312 -1.641 0.734 1.00 . A A . 4 LYS C 1 1
7 1652 1 1 3 LYS CA C 2.742 -2.082 0.985 1.00 . A A . 4 LYS CA 1 1
7 1653 1 1 3 LYS CB C 2.959 -2.312 2.484 1.00 . A A . 4 LYS CB 1 1
7 1654 1 1 3 LYS CD C 2.453 -4.791 2.381 1.00 . A A . 4 LYS CD 1 1
7 1655 1 1 3 LYS CE C 3.909 -5.184 2.572 1.00 . A A . 4 LYS CE 1 1
7 1656 1 1 3 LYS CG C 2.134 -3.461 3.055 1.00 . A A . 4 LYS CG 1 1
7 1657 1 1 3 LYS H H 3.564 -0.149 0.693 1.00 . A A . 4 LYS H 1 1
7 1658 1 1 3 LYS HA H 2.915 -3.011 0.460 1.00 . A A . 4 LYS HA 1 1
7 1659 1 1 3 LYS HB2 H 4.003 -2.521 2.661 1.00 . A A . 4 LYS HB2 1 1
7 1660 1 1 3 LYS HB3 H 2.686 -1.410 3.015 1.00 . A A . 4 LYS HB3 1 1
7 1661 1 1 3 LYS HD2 H 1.827 -5.558 2.808 1.00 . A A . 4 LYS HD2 1 1
7 1662 1 1 3 LYS HD3 H 2.249 -4.704 1.322 1.00 . A A . 4 LYS HD3 1 1
7 1663 1 1 3 LYS HE2 H 4.532 -4.472 2.053 1.00 . A A . 4 LYS HE2 1 1
7 1664 1 1 3 LYS HE3 H 4.140 -5.160 3.627 1.00 . A A . 4 LYS HE3 1 1
7 1665 1 1 3 LYS HG2 H 2.347 -3.548 4.109 1.00 . A A . 4 LYS HG2 1 1
7 1666 1 1 3 LYS HG3 H 1.085 -3.239 2.916 1.00 . A A . 4 LYS HG3 1 1
7 1667 1 1 3 LYS HZ1 H 5.210 -6.765 2.152 1.00 . A A . 4 LYS HZ1 1 1
7 1668 1 1 3 LYS HZ2 H 3.940 -6.613 1.038 1.00 . A A . 4 LYS HZ2 1 1
7 1669 1 1 3 LYS HZ3 H 3.645 -7.258 2.580 1.00 . A A . 4 LYS HZ3 1 1
7 1670 1 1 3 LYS N N 3.685 -1.101 0.468 1.00 . A A . 4 LYS N 1 1
7 1671 1 1 3 LYS NZ N 4.194 -6.546 2.046 1.00 . A A . 4 LYS NZ 1 1
7 1672 1 1 3 LYS O O 0.868 -0.612 1.244 1.00 . A A . 4 LYS O 1 1
7 1673 1 1 4 ASN C C -1.615 -3.270 0.397 1.00 . A A . 5 ASN C 1 1
7 1674 1 1 4 ASN CA C -0.813 -2.156 -0.278 1.00 . A A . 5 ASN CA 1 1
7 1675 1 1 4 ASN CB C -1.145 -2.117 -1.772 1.00 . A A . 5 ASN CB 1 1
7 1676 1 1 4 ASN CG C -0.122 -1.344 -2.588 1.00 . A A . 5 ASN CG 1 1
7 1677 1 1 4 ASN H H 1.030 -3.170 -0.521 1.00 . A A . 5 ASN H 1 1
7 1678 1 1 4 ASN HA H -1.050 -1.200 0.164 1.00 . A A . 5 ASN HA 1 1
7 1679 1 1 4 ASN HB2 H -1.186 -3.123 -2.147 1.00 . A A . 5 ASN HB2 1 1
7 1680 1 1 4 ASN HB3 H -2.110 -1.651 -1.905 1.00 . A A . 5 ASN HB3 1 1
7 1681 1 1 4 ASN HD21 H 0.842 -3.024 -3.020 1.00 . A A . 5 ASN HD21 1 1
7 1682 1 1 4 ASN HD22 H 1.512 -1.580 -3.687 1.00 . A A . 5 ASN HD22 1 1
7 1683 1 1 4 ASN N N 0.598 -2.410 -0.066 1.00 . A A . 5 ASN N 1 1
7 1684 1 1 4 ASN ND2 N 0.841 -2.052 -3.156 1.00 . A A . 5 ASN ND2 1 1
7 1685 1 1 4 ASN O O -1.579 -4.414 -0.059 1.00 . A A . 5 ASN O 1 1
7 1686 1 1 4 ASN OD1 O -0.200 -0.126 -2.718 1.00 . A A . 5 ASN OD1 1 1
7 1687 1 1 5 . C C -4.271 -4.456 1.474 1.00 . A A . 6 O6H C 1 1
7 1688 1 1 5 . CA C -3.051 -3.965 2.240 1.00 . A A . 6 O6H CA 1 1
7 1689 1 1 5 . CB C -3.475 -3.430 3.613 1.00 . A A . 6 O6H CB 1 1
7 1690 1 1 5 . CD1 C -1.510 -3.754 5.172 1.00 . A A . 6 O6H CD1 1 1
7 1691 1 1 5 . CD2 C -2.063 -1.539 4.487 1.00 . A A . 6 O6H CD2 1 1
7 1692 1 1 5 . CE1 C -0.459 -3.260 5.925 1.00 . A A . 6 O6H CE1 1 1
7 1693 1 1 5 . CE2 C -1.020 -1.035 5.234 1.00 . A A . 6 O6H CE2 1 1
7 1694 1 1 5 . CF1 C -1.763 -5.234 5.154 1.00 . A A . 6 O6H CF1 1 1
7 1695 1 1 5 . CF2 C -2.920 -0.590 3.712 1.00 . A A . 6 O6H CF2 1 1
7 1696 1 1 5 . CG C -2.331 -2.901 4.439 1.00 . A A . 6 O6H CG 1 1
7 1697 1 1 5 . CH C 0.915 -1.352 6.759 1.00 . A A . 6 O6H CH 1 1
7 1698 1 1 5 . CZ C -0.222 -1.899 5.949 1.00 . A A . 6 O6H CZ 1 1
7 1699 1 1 5 . H1 H -2.325 -2.032 1.810 1.00 . A A . 6 O6H H1 1 1
7 1700 1 1 5 . HA H -2.387 -4.803 2.393 1.00 . A A . 6 O6H HA 1 1
7 1701 1 1 5 . HB1 H -3.948 -4.225 4.170 1.00 . A A . 6 O6H HB1 1 1
7 1702 1 1 5 . HB2 H -4.183 -2.626 3.473 1.00 . A A . 6 O6H HB2 1 1
7 1703 1 1 5 . HE1 H 0.171 -3.933 6.488 1.00 . A A . 6 O6H HE1 1 1
7 1704 1 1 5 . HE2 H -0.831 0.029 5.256 1.00 . A A . 6 O6H HE2 1 1
7 1705 1 1 5 . HF11 H -1.089 -5.791 5.787 1.00 . A A . 6 O6H HF11 1 1
7 1706 1 1 5 . HF12 H -1.663 -5.674 4.173 1.00 . A A . 6 O6H HF12 1 1
7 1707 1 1 5 . HF13 H -2.755 -5.504 5.487 1.00 . A A . 6 O6H HF13 1 1
7 1708 1 1 5 . HF21 H -3.237 0.269 4.284 1.00 . A A . 6 O6H HF21 1 1
7 1709 1 1 5 . HF22 H -3.831 -1.038 3.342 1.00 . A A . 6 O6H HF22 1 1
7 1710 1 1 5 . HF23 H -2.428 -0.186 2.840 1.00 . A A . 6 O6H HF23 1 1
7 1711 1 1 5 . HH1 H 0.989 -0.274 6.718 1.00 . A A . 6 O6H HH1 1 1
7 1712 1 1 5 . HH2 H 0.850 -1.593 7.810 1.00 . A A . 6 O6H HH2 1 1
7 1713 1 1 5 . HH3 H 1.881 -1.716 6.442 1.00 . A A . 6 O6H HH3 1 1
7 1714 1 1 5 . N N -2.310 -2.958 1.491 1.00 . A A . 6 O6H N 1 1
7 1715 1 1 5 . O O -4.605 -5.639 1.514 1.00 . A A . 6 O6H O 1 1
7 1716 1 1 6 PHE C C -6.172 -3.880 -1.309 1.00 . A A . 7 PHE C 1 1
7 1717 1 1 6 PHE CA C -6.251 -3.843 0.211 1.00 . A A . 7 PHE CA 1 1
7 1718 1 1 6 PHE CB C -7.300 -2.822 0.662 1.00 . A A . 7 PHE CB 1 1
7 1719 1 1 6 PHE CD1 C -7.465 -3.460 3.092 1.00 . A A . 7 PHE CD1 1 1
7 1720 1 1 6 PHE CD2 C -6.860 -1.219 2.542 1.00 . A A . 7 PHE CD2 1 1
7 1721 1 1 6 PHE CE1 C -7.363 -3.158 4.438 1.00 . A A . 7 PHE CE1 1 1
7 1722 1 1 6 PHE CE2 C -6.761 -0.912 3.885 1.00 . A A . 7 PHE CE2 1 1
7 1723 1 1 6 PHE CG C -7.213 -2.494 2.129 1.00 . A A . 7 PHE CG 1 1
7 1724 1 1 6 PHE CZ C -7.011 -1.883 4.835 1.00 . A A . 7 PHE CZ 1 1
7 1725 1 1 6 PHE H H -4.588 -2.634 0.719 1.00 . A A . 7 PHE H 1 1
7 1726 1 1 6 PHE HA H -6.547 -4.822 0.563 1.00 . A A . 7 PHE HA 1 1
7 1727 1 1 6 PHE HB2 H -7.165 -1.907 0.106 1.00 . A A . 7 PHE HB2 1 1
7 1728 1 1 6 PHE HB3 H -8.285 -3.218 0.466 1.00 . A A . 7 PHE HB3 1 1
7 1729 1 1 6 PHE HD1 H -7.741 -4.458 2.783 1.00 . A A . 7 PHE HD1 1 1
7 1730 1 1 6 PHE HD2 H -6.664 -0.457 1.802 1.00 . A A . 7 PHE HD2 1 1
7 1731 1 1 6 PHE HE1 H -7.562 -3.919 5.179 1.00 . A A . 7 PHE HE1 1 1
7 1732 1 1 6 PHE HE2 H -6.489 0.087 4.192 1.00 . A A . 7 PHE HE2 1 1
7 1733 1 1 6 PHE HZ H -6.924 -1.647 5.885 1.00 . A A . 7 PHE HZ 1 1
7 1734 1 1 6 PHE N N -4.955 -3.536 0.806 1.00 . A A . 7 PHE N 1 1
7 1735 1 1 6 PHE O O -7.047 -4.435 -1.971 1.00 . A A . 7 PHE O 1 1
7 1736 1 1 7 DTR C C -4.788 -1.840 -3.846 1.00 . A A . 8 DTR C 1 1
7 1737 1 1 7 DTR CA C -4.959 -3.262 -3.304 1.00 . A A . 8 DTR CA 1 1
7 1738 1 1 7 DTR CB C -3.755 -4.128 -3.689 1.00 . A A . 8 DTR CB 1 1
7 1739 1 1 7 DTR CD1 C -2.713 -3.862 -6.018 1.00 . A A . 8 DTR CD1 1 1
7 1740 1 1 7 DTR CD2 C -4.528 -5.169 -5.965 1.00 . A A . 8 DTR CD2 1 1
7 1741 1 1 7 DTR CE2 C -4.060 -5.109 -7.291 1.00 . A A . 8 DTR CE2 1 1
7 1742 1 1 7 DTR CE3 C -5.664 -5.935 -5.688 1.00 . A A . 8 DTR CE3 1 1
7 1743 1 1 7 DTR CG C -3.650 -4.369 -5.166 1.00 . A A . 8 DTR CG 1 1
7 1744 1 1 7 DTR CH2 C -5.797 -6.526 -8.033 1.00 . A A . 8 DTR CH2 1 1
7 1745 1 1 7 DTR CZ2 C -4.688 -5.785 -8.334 1.00 . A A . 8 DTR CZ2 1 1
7 1746 1 1 7 DTR CZ3 C -6.287 -6.604 -6.724 1.00 . A A . 8 DTR CZ3 1 1
7 1747 1 1 7 DTR H H -4.497 -2.794 -1.299 1.00 . A A . 8 DTR H 1 1
7 1748 1 1 7 DTR HA H -5.824 -3.738 -3.749 1.00 . A A . 8 DTR HA 1 1
7 1749 1 1 7 DTR HB2 H -2.850 -3.637 -3.366 1.00 . A A . 8 DTR HB2 1 1
7 1750 1 1 7 DTR HB3 H -3.836 -5.087 -3.196 1.00 . A A . 8 DTR HB3 1 1
7 1751 1 1 7 DTR HD1 H -1.906 -3.210 -5.717 1.00 . A A . 8 DTR HD1 1 1
7 1752 1 1 7 DTR HE1 H -2.409 -4.088 -8.089 1.00 . A A . 8 DTR HE1 1 1
7 1753 1 1 7 DTR HE3 H -6.056 -6.006 -4.685 1.00 . A A . 8 DTR HE3 1 1
7 1754 1 1 7 DTR HH2 H -6.316 -7.066 -8.813 1.00 . A A . 8 DTR HH2 1 1
7 1755 1 1 7 DTR HZ2 H -4.322 -5.735 -9.349 1.00 . A A . 8 DTR HZ2 1 1
7 1756 1 1 7 DTR HZ3 H -7.165 -7.199 -6.527 1.00 . A A . 8 DTR HZ3 1 1
7 1757 1 1 7 DTR N N -5.144 -3.258 -1.865 1.00 . A A . 8 DTR N 1 1
7 1758 1 1 7 DTR NE1 N -2.950 -4.307 -7.297 1.00 . A A . 8 DTR NE1 1 1
7 1759 1 1 7 DTR O O -3.965 -1.082 -3.340 1.00 . A A . 8 DTR O 1 1
7 1760 1 1 8 LYS C C -6.282 0.885 -4.833 1.00 . A A . 9 LYS C 1 1
7 1761 1 1 8 LYS CA C -5.413 -0.169 -5.506 1.00 . A A . 9 LYS CA 1 1
7 1762 1 1 8 LYS CB C -5.754 -0.273 -6.994 1.00 . A A . 9 LYS CB 1 1
7 1763 1 1 8 LYS CD C -7.319 -1.149 -8.757 1.00 . A A . 9 LYS CD 1 1
7 1764 1 1 8 LYS CE C -6.273 -2.127 -9.275 1.00 . A A . 9 LYS CE 1 1
7 1765 1 1 8 LYS CG C -7.127 -0.867 -7.275 1.00 . A A . 9 LYS CG 1 1
7 1766 1 1 8 LYS H H -6.259 -2.075 -5.198 1.00 . A A . 9 LYS H 1 1
7 1767 1 1 8 LYS HA H -4.378 0.123 -5.407 1.00 . A A . 9 LYS HA 1 1
7 1768 1 1 8 LYS HB2 H -5.719 0.715 -7.428 1.00 . A A . 9 LYS HB2 1 1
7 1769 1 1 8 LYS HB3 H -5.013 -0.893 -7.477 1.00 . A A . 9 LYS HB3 1 1
7 1770 1 1 8 LYS HD2 H -8.301 -1.572 -8.908 1.00 . A A . 9 LYS HD2 1 1
7 1771 1 1 8 LYS HD3 H -7.236 -0.222 -9.306 1.00 . A A . 9 LYS HD3 1 1
7 1772 1 1 8 LYS HE2 H -5.293 -1.710 -9.100 1.00 . A A . 9 LYS HE2 1 1
7 1773 1 1 8 LYS HE3 H -6.369 -3.055 -8.729 1.00 . A A . 9 LYS HE3 1 1
7 1774 1 1 8 LYS HG2 H -7.230 -1.790 -6.727 1.00 . A A . 9 LYS HG2 1 1
7 1775 1 1 8 LYS HG3 H -7.882 -0.165 -6.951 1.00 . A A . 9 LYS HG3 1 1
7 1776 1 1 8 LYS HZ1 H -5.585 -2.920 -11.079 1.00 . A A . 9 LYS HZ1 1 1
7 1777 1 1 8 LYS HZ2 H -6.509 -1.508 -11.257 1.00 . A A . 9 LYS HZ2 1 1
7 1778 1 1 8 LYS HZ3 H -7.271 -2.982 -10.902 1.00 . A A . 9 LYS HZ3 1 1
7 1779 1 1 8 LYS N N -5.569 -1.469 -4.865 1.00 . A A . 9 LYS N 1 1
7 1780 1 1 8 LYS NZ N -6.421 -2.402 -10.728 1.00 . A A . 9 LYS NZ 1 1
7 1781 1 1 8 LYS O O -6.283 2.049 -5.228 1.00 . A A . 9 LYS O 1 1
7 1782 1 1 9 THR C C -6.988 2.165 -2.024 1.00 . A A . 10 THR C 1 1
7 1783 1 1 9 THR CA C -7.834 1.393 -3.038 1.00 . A A . 10 THR CA 1 1
7 1784 1 1 9 THR CB C -8.956 0.633 -2.307 1.00 . A A . 10 THR CB 1 1
7 1785 1 1 9 THR CG2 C -10.119 0.345 -3.247 1.00 . A A . 10 THR CG2 1 1
7 1786 1 1 9 THR H H -7.021 -0.481 -3.578 1.00 . A A . 10 THR H 1 1
7 1787 1 1 9 THR HA H -8.291 2.093 -3.724 1.00 . A A . 10 THR HA 1 1
7 1788 1 1 9 THR HB H -9.314 1.245 -1.491 1.00 . A A . 10 THR HB 1 1
7 1789 1 1 9 THR HG1 H -9.152 -1.081 -1.344 1.00 . A A . 10 THR HG1 1 1
7 1790 1 1 9 THR HG21 H -9.772 -0.250 -4.078 1.00 . A A . 10 THR HG21 1 1
7 1791 1 1 9 THR HG22 H -10.523 1.278 -3.614 1.00 . A A . 10 THR HG22 1 1
7 1792 1 1 9 THR HG23 H -10.888 -0.194 -2.712 1.00 . A A . 10 THR HG23 1 1
7 1793 1 1 9 THR N N -7.014 0.472 -3.808 1.00 . A A . 10 THR N 1 1
7 1794 1 1 9 THR O O -7.191 3.361 -1.816 1.00 . A A . 10 THR O 1 1
7 1795 1 1 9 THR OG1 O -8.440 -0.599 -1.777 1.00 . A A . 10 THR OG1 1 1
7 1796 1 1 10 PHE C C -3.663 1.809 -0.893 1.00 . A A . 11 PHE C 1 1
7 1797 1 1 10 PHE CA C -5.126 2.093 -0.457 1.00 . A A . 11 PHE CA 1 1
7 1798 1 1 10 PHE CB C -5.373 1.483 0.928 1.00 . A A . 11 PHE CB 1 1
7 1799 1 1 10 PHE CD1 C -3.346 2.413 2.095 1.00 . A A . 11 PHE CD1 1 1
7 1800 1 1 10 PHE CD2 C -5.480 2.711 3.115 1.00 . A A . 11 PHE CD2 1 1
7 1801 1 1 10 PHE CE1 C -2.747 3.073 3.146 1.00 . A A . 11 PHE CE1 1 1
7 1802 1 1 10 PHE CE2 C -4.884 3.376 4.169 1.00 . A A . 11 PHE CE2 1 1
7 1803 1 1 10 PHE CG C -4.718 2.222 2.065 1.00 . A A . 11 PHE CG 1 1
7 1804 1 1 10 PHE CZ C -3.515 3.556 4.183 1.00 . A A . 11 PHE CZ 1 1
7 1805 1 1 10 PHE H H -5.912 0.533 -1.630 1.00 . A A . 11 PHE H 1 1
7 1806 1 1 10 PHE HA H -5.349 3.147 -0.415 1.00 . A A . 11 PHE HA 1 1
7 1807 1 1 10 PHE HB2 H -6.436 1.464 1.117 1.00 . A A . 11 PHE HB2 1 1
7 1808 1 1 10 PHE HB3 H -4.999 0.469 0.933 1.00 . A A . 11 PHE HB3 1 1
7 1809 1 1 10 PHE HD1 H -2.743 2.040 1.279 1.00 . A A . 11 PHE HD1 1 1
7 1810 1 1 10 PHE HD2 H -6.551 2.570 3.104 1.00 . A A . 11 PHE HD2 1 1
7 1811 1 1 10 PHE HE1 H -1.677 3.212 3.155 1.00 . A A . 11 PHE HE1 1 1
7 1812 1 1 10 PHE HE2 H -5.487 3.753 4.981 1.00 . A A . 11 PHE HE2 1 1
7 1813 1 1 10 PHE HZ H -3.044 4.071 5.006 1.00 . A A . 11 PHE HZ 1 1
7 1814 1 1 10 PHE N N -6.027 1.480 -1.419 1.00 . A A . 11 PHE N 1 1
7 1815 1 1 10 PHE O O -3.250 0.649 -0.836 1.00 . A A . 11 PHE O 1 1
7 1816 1 1 11 THR C C -0.506 3.419 -1.075 1.00 . A A . 12 THR C 1 1
7 1817 1 1 11 THR CA C -1.519 2.516 -1.787 1.00 . A A . 12 THR CA 1 1
7 1818 1 1 11 THR CB C -1.394 2.655 -3.327 1.00 . A A . 12 THR CB 1 1
7 1819 1 1 11 THR CG2 C -1.785 4.049 -3.805 1.00 . A A . 12 THR CG2 1 1
7 1820 1 1 11 THR H H -3.173 3.740 -1.359 1.00 . A A . 12 THR H 1 1
7 1821 1 1 11 THR HA H -1.303 1.490 -1.525 1.00 . A A . 12 THR HA 1 1
7 1822 1 1 11 THR HB H -2.062 1.938 -3.784 1.00 . A A . 12 THR HB 1 1
7 1823 1 1 11 THR HG1 H 0.162 1.450 -3.468 1.00 . A A . 12 THR HG1 1 1
7 1824 1 1 11 THR HG21 H -1.139 4.783 -3.346 1.00 . A A . 12 THR HG21 1 1
7 1825 1 1 11 THR HG22 H -2.810 4.248 -3.529 1.00 . A A . 12 THR HG22 1 1
7 1826 1 1 11 THR HG23 H -1.685 4.101 -4.879 1.00 . A A . 12 THR HG23 1 1
7 1827 1 1 11 THR N N -2.870 2.805 -1.339 1.00 . A A . 12 THR N 1 1
7 1828 1 1 11 THR O O -0.555 4.650 -1.183 1.00 . A A . 12 THR O 1 1
7 1829 1 1 11 THR OG1 O -0.055 2.355 -3.743 1.00 . A A . 12 THR OG1 1 1
7 1830 1 1 12 SER C C 2.799 2.957 0.193 1.00 . A A . 13 SER C 1 1
7 1831 1 1 12 SER CA C 1.406 3.553 0.415 1.00 . A A . 13 SER CA 1 1
7 1832 1 1 12 SER CB C 1.083 3.589 1.907 1.00 . A A . 13 SER CB 1 1
7 1833 1 1 12 SER H H 0.355 1.829 -0.217 1.00 . A A . 13 SER H 1 1
7 1834 1 1 12 SER HA H 1.387 4.565 0.038 1.00 . A A . 13 SER HA 1 1
7 1835 1 1 12 SER HB2 H 0.986 2.579 2.278 1.00 . A A . 13 SER HB2 1 1
7 1836 1 1 12 SER HB3 H 1.880 4.092 2.436 1.00 . A A . 13 SER HB3 1 1
7 1837 1 1 12 SER HG H -0.692 4.199 1.356 1.00 . A A . 13 SER HG 1 1
7 1838 1 1 12 SER N N 0.383 2.807 -0.303 1.00 . A A . 13 SER N 1 1
7 1839 1 1 12 SER O O 3.054 1.803 0.544 1.00 . A A . 13 SER O 1 1
7 1840 1 1 12 SER OG O -0.130 4.282 2.135 1.00 . A A . 13 SER OG 1 1
7 1841 1 1 13 CYS C C 5.956 4.511 -0.065 1.00 . A A . 14 CYS C 1 1
7 1842 1 1 13 CYS CA C 5.083 3.351 -0.522 1.00 . A A . 14 CYS CA 1 1
7 1843 1 1 13 CYS CB C 5.441 2.947 -1.952 1.00 . A A . 14 CYS CB 1 1
7 1844 1 1 13 CYS H H 3.406 4.586 -0.809 1.00 . A A . 14 CYS H 1 1
7 1845 1 1 13 CYS HA H 5.249 2.510 0.136 1.00 . A A . 14 CYS HA 1 1
7 1846 1 1 13 CYS HB2 H 4.765 2.171 -2.282 1.00 . A A . 14 CYS HB2 1 1
7 1847 1 1 13 CYS HB3 H 5.343 3.807 -2.600 1.00 . A A . 14 CYS HB3 1 1
7 1848 1 1 13 CYS N N 3.690 3.731 -0.417 1.00 . A A . 14 CYS N 1 1
7 1849 1 1 13 CYS O O 5.888 5.606 -0.630 1.00 . A A . 14 CYS O 1 1
7 1850 1 1 13 CYS SG S 7.140 2.313 -2.117 1.00 . A A . 14 CYS SG 1 1
7 1851 1 1 14 LYS C C 9.005 5.232 1.019 1.00 . A A . 15 LYS C 1 1
7 1852 1 1 14 LYS CA C 7.577 5.322 1.542 1.00 . A A . 15 LYS CA 1 1
7 1853 1 1 14 LYS CB C 7.573 5.214 3.067 1.00 . A A . 15 LYS CB 1 1
7 1854 1 1 14 LYS CD C 8.799 5.890 5.157 1.00 . A A . 15 LYS CD 1 1
7 1855 1 1 14 LYS CE C 9.634 4.617 5.130 1.00 . A A . 15 LYS CE 1 1
7 1856 1 1 14 LYS CG C 8.375 6.306 3.758 1.00 . A A . 15 LYS CG 1 1
7 1857 1 1 14 LYS H H 6.807 3.370 1.332 1.00 . A A . 15 LYS H 1 1
7 1858 1 1 14 LYS HA H 7.158 6.276 1.255 1.00 . A A . 15 LYS HA 1 1
7 1859 1 1 14 LYS HB2 H 6.553 5.269 3.418 1.00 . A A . 15 LYS HB2 1 1
7 1860 1 1 14 LYS HB3 H 7.991 4.258 3.349 1.00 . A A . 15 LYS HB3 1 1
7 1861 1 1 14 LYS HD2 H 9.385 6.683 5.596 1.00 . A A . 15 LYS HD2 1 1
7 1862 1 1 14 LYS HD3 H 7.916 5.718 5.753 1.00 . A A . 15 LYS HD3 1 1
7 1863 1 1 14 LYS HE2 H 10.034 4.447 6.118 1.00 . A A . 15 LYS HE2 1 1
7 1864 1 1 14 LYS HE3 H 8.996 3.789 4.853 1.00 . A A . 15 LYS HE3 1 1
7 1865 1 1 14 LYS HG2 H 9.259 6.517 3.173 1.00 . A A . 15 LYS HG2 1 1
7 1866 1 1 14 LYS HG3 H 7.767 7.196 3.825 1.00 . A A . 15 LYS HG3 1 1
7 1867 1 1 14 LYS HZ1 H 11.395 3.886 4.275 1.00 . A A . 15 LYS HZ1 1 1
7 1868 1 1 14 LYS HZ2 H 11.308 5.579 4.318 1.00 . A A . 15 LYS HZ2 1 1
7 1869 1 1 14 LYS HZ3 H 10.395 4.708 3.181 1.00 . A A . 15 LYS HZ3 1 1
7 1870 1 1 14 LYS N N 6.754 4.275 0.962 1.00 . A A . 15 LYS N 1 1
7 1871 1 1 14 LYS NZ N 10.762 4.705 4.161 1.00 . A A . 15 LYS NZ 1 1
7 1872 1 1 14 LYS O O 9.821 4.513 1.637 1.00 . A A . 15 LYS O 1 1
7 1873 1 1 14 LYS OXT O 9.309 5.879 -0.003 1.00 . A A . 15 LYS OXT 1 1
7 1874 2 2 1 . C1 C 9.528 -2.594 0.305 1.00 . B A . 101 OCA C1 1 1
7 1875 2 2 1 . C2 C 8.926 -2.906 1.669 1.00 . B A . 101 OCA C2 1 1
7 1876 2 2 1 . C3 C 9.972 -2.962 2.774 1.00 . B A . 101 OCA C3 1 1
7 1877 2 2 1 . C4 C 9.341 -3.131 4.148 1.00 . B A . 101 OCA C4 1 1
7 1878 2 2 1 . C5 C 8.441 -4.356 4.219 1.00 . B A . 101 OCA C5 1 1
7 1879 2 2 1 . C6 C 7.052 -3.997 4.728 1.00 . B A . 101 OCA C6 1 1
7 1880 2 2 1 . C7 C 6.450 -5.112 5.570 1.00 . B A . 101 OCA C7 1 1
7 1881 2 2 1 . C8 C 7.253 -5.373 6.827 1.00 . B A . 101 OCA C8 1 1
7 1882 2 2 1 . H21 H 8.204 -2.139 1.910 1.00 . B A . 101 OCA H21 1 1
7 1883 2 2 1 . H22 H 8.427 -3.863 1.614 1.00 . B A . 101 OCA H22 1 1
7 1884 2 2 1 . H31 H 10.630 -3.798 2.589 1.00 . B A . 101 OCA H31 1 1
7 1885 2 2 1 . H32 H 10.540 -2.045 2.762 1.00 . B A . 101 OCA H32 1 1
7 1886 2 2 1 . H41 H 10.127 -3.232 4.883 1.00 . B A . 101 OCA H41 1 1
7 1887 2 2 1 . H42 H 8.752 -2.254 4.370 1.00 . B A . 101 OCA H42 1 1
7 1888 2 2 1 . H51 H 8.354 -4.783 3.231 1.00 . B A . 101 OCA H51 1 1
7 1889 2 2 1 . H52 H 8.885 -5.079 4.888 1.00 . B A . 101 OCA H52 1 1
7 1890 2 2 1 . H61 H 7.121 -3.104 5.330 1.00 . B A . 101 OCA H61 1 1
7 1891 2 2 1 . H62 H 6.407 -3.813 3.881 1.00 . B A . 101 OCA H62 1 1
7 1892 2 2 1 . H71 H 6.422 -6.020 4.985 1.00 . B A . 101 OCA H71 1 1
7 1893 2 2 1 . H72 H 5.447 -4.833 5.859 1.00 . B A . 101 OCA H72 1 1
7 1894 2 2 1 . H81 H 7.318 -6.438 7.000 1.00 . B A . 101 OCA H81 1 1
7 1895 2 2 1 . H82 H 6.769 -4.901 7.669 1.00 . B A . 101 OCA H82 1 1
7 1896 2 2 1 . H83 H 8.247 -4.967 6.710 1.00 . B A . 101 OCA H83 1 1
7 1897 2 2 1 . O1 O 9.966 -3.449 -0.466 1.00 . B A . 101 OCA O1 1 1
8 1898 1 1 1 PRO C C 7.245 -0.219 0.939 1.00 . A A . 2 PRO C 1 1
8 1899 1 1 1 PRO CA C 8.539 -0.998 1.171 1.00 . A A . 2 PRO CA 1 1
8 1900 1 1 1 PRO CB C 9.753 -0.122 0.883 1.00 . A A . 2 PRO CB 1 1
8 1901 1 1 1 PRO CD C 9.660 -1.800 -0.838 1.00 . A A . 2 PRO CD 1 1
8 1902 1 1 1 PRO CG C 10.076 -0.381 -0.549 1.00 . A A . 2 PRO CG 1 1
8 1903 1 1 1 PRO HA H 8.571 -1.334 2.196 1.00 . A A . 2 PRO HA 1 1
8 1904 1 1 1 PRO HB2 H 9.498 0.914 1.052 1.00 . A A . 2 PRO HB2 1 1
8 1905 1 1 1 PRO HB3 H 10.569 -0.408 1.528 1.00 . A A . 2 PRO HB3 1 1
8 1906 1 1 1 PRO HD2 H 9.188 -1.864 -1.806 1.00 . A A . 2 PRO HD2 1 1
8 1907 1 1 1 PRO HD3 H 10.518 -2.458 -0.794 1.00 . A A . 2 PRO HD3 1 1
8 1908 1 1 1 PRO HG2 H 9.524 0.303 -1.177 1.00 . A A . 2 PRO HG2 1 1
8 1909 1 1 1 PRO HG3 H 11.137 -0.264 -0.711 1.00 . A A . 2 PRO HG3 1 1
8 1910 1 1 1 PRO N N 8.699 -2.120 0.234 1.00 . A A . 2 PRO N 1 1
8 1911 1 1 1 PRO O O 6.899 0.677 1.709 1.00 . A A . 2 PRO O 1 1
8 1912 1 1 2 CYS C C 4.226 -1.164 -0.250 1.00 . A A . 3 CYS C 1 1
8 1913 1 1 2 CYS CA C 5.222 -0.021 -0.377 1.00 . A A . 3 CYS CA 1 1
8 1914 1 1 2 CYS CB C 5.112 0.630 -1.761 1.00 . A A . 3 CYS CB 1 1
8 1915 1 1 2 CYS H H 6.959 -1.146 -0.811 1.00 . A A . 3 CYS H 1 1
8 1916 1 1 2 CYS HA H 5.014 0.717 0.383 1.00 . A A . 3 CYS HA 1 1
8 1917 1 1 2 CYS HB2 H 5.856 1.409 -1.846 1.00 . A A . 3 CYS HB2 1 1
8 1918 1 1 2 CYS HB3 H 5.295 -0.119 -2.517 1.00 . A A . 3 CYS HB3 1 1
8 1919 1 1 2 CYS N N 6.557 -0.541 -0.144 1.00 . A A . 3 CYS N 1 1
8 1920 1 1 2 CYS O O 4.220 -2.081 -1.068 1.00 . A A . 3 CYS O 1 1
8 1921 1 1 2 CYS SG S 3.486 1.381 -2.100 1.00 . A A . 3 CYS SG 1 1
8 1922 1 1 3 LYS C C 1.069 -1.854 0.832 1.00 . A A . 4 LYS C 1 1
8 1923 1 1 3 LYS CA C 2.515 -2.238 1.090 1.00 . A A . 4 LYS CA 1 1
8 1924 1 1 3 LYS CB C 2.699 -2.689 2.547 1.00 . A A . 4 LYS CB 1 1
8 1925 1 1 3 LYS CD C 1.803 -5.007 2.049 1.00 . A A . 4 LYS CD 1 1
8 1926 1 1 3 LYS CE C 3.197 -5.611 1.950 1.00 . A A . 4 LYS CE 1 1
8 1927 1 1 3 LYS CG C 1.757 -3.807 2.987 1.00 . A A . 4 LYS CG 1 1
8 1928 1 1 3 LYS H H 3.396 -0.335 1.371 1.00 . A A . 4 LYS H 1 1
8 1929 1 1 3 LYS HA H 2.776 -3.056 0.437 1.00 . A A . 4 LYS HA 1 1
8 1930 1 1 3 LYS HB2 H 3.714 -3.036 2.677 1.00 . A A . 4 LYS HB2 1 1
8 1931 1 1 3 LYS HB3 H 2.539 -1.840 3.194 1.00 . A A . 4 LYS HB3 1 1
8 1932 1 1 3 LYS HD2 H 1.124 -5.762 2.414 1.00 . A A . 4 LYS HD2 1 1
8 1933 1 1 3 LYS HD3 H 1.490 -4.689 1.064 1.00 . A A . 4 LYS HD3 1 1
8 1934 1 1 3 LYS HE2 H 3.889 -4.843 1.633 1.00 . A A . 4 LYS HE2 1 1
8 1935 1 1 3 LYS HE3 H 3.489 -5.978 2.923 1.00 . A A . 4 LYS HE3 1 1
8 1936 1 1 3 LYS HG2 H 2.040 -4.132 3.978 1.00 . A A . 4 LYS HG2 1 1
8 1937 1 1 3 LYS HG3 H 0.747 -3.421 3.010 1.00 . A A . 4 LYS HG3 1 1
8 1938 1 1 3 LYS HZ1 H 2.689 -7.543 1.331 1.00 . A A . 4 LYS HZ1 1 1
8 1939 1 1 3 LYS HZ2 H 4.226 -7.040 0.826 1.00 . A A . 4 LYS HZ2 1 1
8 1940 1 1 3 LYS HZ3 H 2.847 -6.434 0.058 1.00 . A A . 4 LYS HZ3 1 1
8 1941 1 1 3 LYS N N 3.411 -1.129 0.795 1.00 . A A . 4 LYS N 1 1
8 1942 1 1 3 LYS NZ N 3.245 -6.733 0.975 1.00 . A A . 4 LYS NZ 1 1
8 1943 1 1 3 LYS O O 0.562 -0.873 1.379 1.00 . A A . 4 LYS O 1 1
8 1944 1 1 4 ASN C C -1.782 -3.604 0.378 1.00 . A A . 5 ASN C 1 1
8 1945 1 1 4 ASN CA C -1.003 -2.454 -0.261 1.00 . A A . 5 ASN CA 1 1
8 1946 1 1 4 ASN CB C -1.269 -2.443 -1.772 1.00 . A A . 5 ASN CB 1 1
8 1947 1 1 4 ASN CG C -0.402 -1.457 -2.535 1.00 . A A . 5 ASN CG 1 1
8 1948 1 1 4 ASN H H 0.888 -3.376 -0.449 1.00 . A A . 5 ASN H 1 1
8 1949 1 1 4 ASN HA H -1.305 -1.509 0.164 1.00 . A A . 5 ASN HA 1 1
8 1950 1 1 4 ASN HB2 H -1.077 -3.431 -2.165 1.00 . A A . 5 ASN HB2 1 1
8 1951 1 1 4 ASN HB3 H -2.305 -2.192 -1.945 1.00 . A A . 5 ASN HB3 1 1
8 1952 1 1 4 ASN HD21 H -1.777 -0.035 -2.330 1.00 . A A . 5 ASN HD21 1 1
8 1953 1 1 4 ASN HD22 H -0.354 0.401 -3.203 1.00 . A A . 5 ASN HD22 1 1
8 1954 1 1 4 ASN N N 0.408 -2.644 0.002 1.00 . A A . 5 ASN N 1 1
8 1955 1 1 4 ASN ND2 N -0.890 -0.241 -2.705 1.00 . A A . 5 ASN ND2 1 1
8 1956 1 1 4 ASN O O -1.686 -4.740 -0.078 1.00 . A A . 5 ASN O 1 1
8 1957 1 1 4 ASN OD1 O 0.696 -1.792 -2.982 1.00 . A A . 5 ASN OD1 1 1
8 1958 1 1 5 . C C -4.457 -4.869 1.298 1.00 . A A . 6 O6H C 1 1
8 1959 1 1 5 . CA C -3.286 -4.369 2.136 1.00 . A A . 6 O6H CA 1 1
8 1960 1 1 5 . CB C -3.785 -3.889 3.505 1.00 . A A . 6 O6H CB 1 1
8 1961 1 1 5 . CD1 C -2.459 -2.131 4.725 1.00 . A A . 6 O6H CD1 1 1
8 1962 1 1 5 . CD2 C -1.858 -4.412 5.063 1.00 . A A . 6 O6H CD2 1 1
8 1963 1 1 5 . CE1 C -1.453 -1.730 5.580 1.00 . A A . 6 O6H CE1 1 1
8 1964 1 1 5 . CE2 C -0.848 -4.022 5.922 1.00 . A A . 6 O6H CE2 1 1
8 1965 1 1 5 . CF1 C -3.329 -1.090 4.089 1.00 . A A . 6 O6H CF1 1 1
8 1966 1 1 5 . CF2 C -2.065 -5.877 4.803 1.00 . A A . 6 O6H CF2 1 1
8 1967 1 1 5 . CG C -2.682 -3.471 4.448 1.00 . A A . 6 O6H CG 1 1
8 1968 1 1 5 . CH C 0.442 -2.252 7.101 1.00 . A A . 6 O6H CH 1 1
8 1969 1 1 5 . CZ C -0.653 -2.680 6.175 1.00 . A A . 6 O6H CZ 1 1
8 1970 1 1 5 . H1 H -2.569 -2.411 1.789 1.00 . A A . 6 O6H H1 1 1
8 1971 1 1 5 . HA H -2.611 -5.196 2.294 1.00 . A A . 6 O6H HA 1 1
8 1972 1 1 5 . HB1 H -4.339 -4.686 3.979 1.00 . A A . 6 O6H HB1 1 1
8 1973 1 1 5 . HB2 H -4.436 -3.040 3.366 1.00 . A A . 6 O6H HB2 1 1
8 1974 1 1 5 . HE1 H -1.295 -0.682 5.782 1.00 . A A . 6 O6H HE1 1 1
8 1975 1 1 5 . HE2 H -0.216 -4.761 6.393 1.00 . A A . 6 O6H HE2 1 1
8 1976 1 1 5 . HF11 H -3.684 -1.367 3.107 1.00 . A A . 6 O6H HF11 1 1
8 1977 1 1 5 . HF12 H -2.832 -0.142 3.955 1.00 . A A . 6 O6H HF12 1 1
8 1978 1 1 5 . HF13 H -4.217 -0.869 4.661 1.00 . A A . 6 O6H HF13 1 1
8 1979 1 1 5 . HF21 H -1.292 -6.500 5.226 1.00 . A A . 6 O6H HF21 1 1
8 1980 1 1 5 . HF22 H -2.991 -6.257 5.208 1.00 . A A . 6 O6H HF22 1 1
8 1981 1 1 5 . HF23 H -2.092 -6.126 3.752 1.00 . A A . 6 O6H HF23 1 1
8 1982 1 1 5 . HH1 H 1.145 -1.571 6.643 1.00 . A A . 6 O6H HH1 1 1
8 1983 1 1 5 . HH2 H 1.037 -3.075 7.468 1.00 . A A . 6 O6H HH2 1 1
8 1984 1 1 5 . HH3 H 0.082 -1.741 7.981 1.00 . A A . 6 O6H HH3 1 1
8 1985 1 1 5 . N N -2.534 -3.325 1.445 1.00 . A A . 6 O6H N 1 1
8 1986 1 1 5 . O O -4.752 -6.064 1.278 1.00 . A A . 6 O6H O 1 1
8 1987 1 1 6 PHE C C -6.188 -4.267 -1.578 1.00 . A A . 7 PHE C 1 1
8 1988 1 1 6 PHE CA C -6.376 -4.283 -0.066 1.00 . A A . 7 PHE CA 1 1
8 1989 1 1 6 PHE CB C -7.482 -3.295 0.322 1.00 . A A . 7 PHE CB 1 1
8 1990 1 1 6 PHE CD1 C -7.146 -1.532 2.073 1.00 . A A . 7 PHE CD1 1 1
8 1991 1 1 6 PHE CD2 C -7.629 -3.755 2.790 1.00 . A A . 7 PHE CD2 1 1
8 1992 1 1 6 PHE CE1 C -7.079 -1.119 3.389 1.00 . A A . 7 PHE CE1 1 1
8 1993 1 1 6 PHE CE2 C -7.565 -3.346 4.109 1.00 . A A . 7 PHE CE2 1 1
8 1994 1 1 6 PHE CG C -7.423 -2.854 1.758 1.00 . A A . 7 PHE CG 1 1
8 1995 1 1 6 PHE CZ C -7.288 -2.026 4.407 1.00 . A A . 7 PHE CZ 1 1
8 1996 1 1 6 PHE H H -4.788 -3.036 0.579 1.00 . A A . 7 PHE H 1 1
8 1997 1 1 6 PHE HA H -6.670 -5.276 0.239 1.00 . A A . 7 PHE HA 1 1
8 1998 1 1 6 PHE HB2 H -7.405 -2.416 -0.298 1.00 . A A . 7 PHE HB2 1 1
8 1999 1 1 6 PHE HB3 H -8.444 -3.761 0.158 1.00 . A A . 7 PHE HB3 1 1
8 2000 1 1 6 PHE HD1 H -6.984 -0.822 1.278 1.00 . A A . 7 PHE HD1 1 1
8 2001 1 1 6 PHE HD2 H -7.845 -4.788 2.557 1.00 . A A . 7 PHE HD2 1 1
8 2002 1 1 6 PHE HE1 H -6.865 -0.086 3.619 1.00 . A A . 7 PHE HE1 1 1
8 2003 1 1 6 PHE HE2 H -7.729 -4.058 4.905 1.00 . A A . 7 PHE HE2 1 1
8 2004 1 1 6 PHE HZ H -7.230 -1.704 5.437 1.00 . A A . 7 PHE HZ 1 1
8 2005 1 1 6 PHE N N -5.130 -3.952 0.616 1.00 . A A . 7 PHE N 1 1
8 2006 1 1 6 PHE O O -6.992 -4.828 -2.321 1.00 . A A . 7 PHE O 1 1
8 2007 1 1 7 DTR C C -4.666 -2.065 -3.907 1.00 . A A . 8 DTR C 1 1
8 2008 1 1 7 DTR CA C -4.838 -3.522 -3.441 1.00 . A A . 8 DTR CA 1 1
8 2009 1 1 7 DTR CB C -3.583 -4.358 -3.747 1.00 . A A . 8 DTR CB 1 1
8 2010 1 1 7 DTR CD1 C -1.699 -3.538 -5.261 1.00 . A A . 8 DTR CD1 1 1
8 2011 1 1 7 DTR CD2 C -3.567 -4.114 -6.352 1.00 . A A . 8 DTR CD2 1 1
8 2012 1 1 7 DTR CE2 C -2.625 -3.655 -7.287 1.00 . A A . 8 DTR CE2 1 1
8 2013 1 1 7 DTR CE3 C -4.820 -4.537 -6.808 1.00 . A A . 8 DTR CE3 1 1
8 2014 1 1 7 DTR CG C -2.957 -4.021 -5.061 1.00 . A A . 8 DTR CG 1 1
8 2015 1 1 7 DTR CH2 C -4.136 -4.016 -9.067 1.00 . A A . 8 DTR CH2 1 1
8 2016 1 1 7 DTR CZ2 C -2.900 -3.598 -8.647 1.00 . A A . 8 DTR CZ2 1 1
8 2017 1 1 7 DTR CZ3 C -5.090 -4.488 -8.161 1.00 . A A . 8 DTR CZ3 1 1
8 2018 1 1 7 DTR H H -4.557 -3.142 -1.394 1.00 . A A . 8 DTR H 1 1
8 2019 1 1 7 DTR HA H -5.645 -3.998 -3.983 1.00 . A A . 8 DTR HA 1 1
8 2020 1 1 7 DTR HB2 H -2.849 -4.187 -2.975 1.00 . A A . 8 DTR HB2 1 1
8 2021 1 1 7 DTR HB3 H -3.850 -5.405 -3.760 1.00 . A A . 8 DTR HB3 1 1
8 2022 1 1 7 DTR HD1 H -0.982 -3.362 -4.471 1.00 . A A . 8 DTR HD1 1 1
8 2023 1 1 7 DTR HE1 H -0.652 -2.973 -6.990 1.00 . A A . 8 DTR HE1 1 1
8 2024 1 1 7 DTR HE3 H -5.568 -4.903 -6.121 1.00 . A A . 8 DTR HE3 1 1
8 2025 1 1 7 DTR HH2 H -4.387 -3.996 -10.117 1.00 . A A . 8 DTR HH2 1 1
8 2026 1 1 7 DTR HZ2 H -2.189 -3.212 -9.350 1.00 . A A . 8 DTR HZ2 1 1
8 2027 1 1 7 DTR HZ3 H -6.053 -4.809 -8.530 1.00 . A A . 8 DTR HZ3 1 1
8 2028 1 1 7 DTR N N -5.143 -3.595 -2.028 1.00 . A A . 8 DTR N 1 1
8 2029 1 1 7 DTR NE1 N -1.487 -3.317 -6.596 1.00 . A A . 8 DTR NE1 1 1
8 2030 1 1 7 DTR O O -3.797 -1.356 -3.404 1.00 . A A . 8 DTR O 1 1
8 2031 1 1 8 LYS C C -6.103 0.796 -4.615 1.00 . A A . 9 LYS C 1 1
8 2032 1 1 8 LYS CA C -5.364 -0.270 -5.423 1.00 . A A . 9 LYS CA 1 1
8 2033 1 1 8 LYS CB C -5.895 -0.261 -6.867 1.00 . A A . 9 LYS CB 1 1
8 2034 1 1 8 LYS CD C -3.915 -0.182 -8.422 1.00 . A A . 9 LYS CD 1 1
8 2035 1 1 8 LYS CE C -2.805 0.007 -7.405 1.00 . A A . 9 LYS CE 1 1
8 2036 1 1 8 LYS CG C -5.053 -1.032 -7.868 1.00 . A A . 9 LYS CG 1 1
8 2037 1 1 8 LYS H H -6.283 -2.156 -5.112 1.00 . A A . 9 LYS H 1 1
8 2038 1 1 8 LYS HA H -4.312 -0.033 -5.434 1.00 . A A . 9 LYS HA 1 1
8 2039 1 1 8 LYS HB2 H -6.889 -0.677 -6.877 1.00 . A A . 9 LYS HB2 1 1
8 2040 1 1 8 LYS HB3 H -5.941 0.758 -7.206 1.00 . A A . 9 LYS HB3 1 1
8 2041 1 1 8 LYS HD2 H -3.506 -0.669 -9.296 1.00 . A A . 9 LYS HD2 1 1
8 2042 1 1 8 LYS HD3 H -4.306 0.787 -8.699 1.00 . A A . 9 LYS HD3 1 1
8 2043 1 1 8 LYS HE2 H -3.236 0.363 -6.490 1.00 . A A . 9 LYS HE2 1 1
8 2044 1 1 8 LYS HE3 H -2.339 -0.943 -7.227 1.00 . A A . 9 LYS HE3 1 1
8 2045 1 1 8 LYS HG2 H -4.634 -1.899 -7.379 1.00 . A A . 9 LYS HG2 1 1
8 2046 1 1 8 LYS HG3 H -5.686 -1.349 -8.685 1.00 . A A . 9 LYS HG3 1 1
8 2047 1 1 8 LYS HZ1 H -1.539 0.803 -8.867 1.00 . A A . 9 LYS HZ1 1 1
8 2048 1 1 8 LYS HZ2 H -0.902 0.859 -7.298 1.00 . A A . 9 LYS HZ2 1 1
8 2049 1 1 8 LYS HZ3 H -2.118 1.951 -7.757 1.00 . A A . 9 LYS HZ3 1 1
8 2050 1 1 8 LYS N N -5.524 -1.597 -4.825 1.00 . A A . 9 LYS N 1 1
8 2051 1 1 8 LYS NZ N -1.772 0.973 -7.864 1.00 . A A . 9 LYS NZ 1 1
8 2052 1 1 8 LYS O O -6.081 1.977 -4.964 1.00 . A A . 9 LYS O 1 1
8 2053 1 1 9 THR C C -6.618 2.091 -1.766 1.00 . A A . 10 THR C 1 1
8 2054 1 1 9 THR CA C -7.522 1.290 -2.707 1.00 . A A . 10 THR CA 1 1
8 2055 1 1 9 THR CB C -8.566 0.517 -1.874 1.00 . A A . 10 THR CB 1 1
8 2056 1 1 9 THR CG2 C -9.538 1.473 -1.196 1.00 . A A . 10 THR CG2 1 1
8 2057 1 1 9 THR H H -6.715 -0.574 -3.301 1.00 . A A . 10 THR H 1 1
8 2058 1 1 9 THR HA H -8.045 1.974 -3.361 1.00 . A A . 10 THR HA 1 1
8 2059 1 1 9 THR HB H -8.052 -0.052 -1.112 1.00 . A A . 10 THR HB 1 1
8 2060 1 1 9 THR HG1 H -10.199 -0.488 -2.370 1.00 . A A . 10 THR HG1 1 1
8 2061 1 1 9 THR HG21 H -10.261 0.909 -0.627 1.00 . A A . 10 THR HG21 1 1
8 2062 1 1 9 THR HG22 H -10.048 2.058 -1.946 1.00 . A A . 10 THR HG22 1 1
8 2063 1 1 9 THR HG23 H -8.993 2.131 -0.535 1.00 . A A . 10 THR HG23 1 1
8 2064 1 1 9 THR N N -6.744 0.377 -3.534 1.00 . A A . 10 THR N 1 1
8 2065 1 1 9 THR O O -6.833 3.282 -1.545 1.00 . A A . 10 THR O 1 1
8 2066 1 1 9 THR OG1 O -9.295 -0.386 -2.719 1.00 . A A . 10 THR OG1 1 1
8 2067 1 1 10 PHE C C -3.247 2.052 -0.874 1.00 . A A . 11 PHE C 1 1
8 2068 1 1 10 PHE CA C -4.685 2.072 -0.297 1.00 . A A . 11 PHE CA 1 1
8 2069 1 1 10 PHE CB C -4.695 1.314 1.033 1.00 . A A . 11 PHE CB 1 1
8 2070 1 1 10 PHE CD1 C -2.510 1.674 2.233 1.00 . A A . 11 PHE CD1 1 1
8 2071 1 1 10 PHE CD2 C -4.437 2.845 3.011 1.00 . A A . 11 PHE CD2 1 1
8 2072 1 1 10 PHE CE1 C -1.748 2.260 3.225 1.00 . A A . 11 PHE CE1 1 1
8 2073 1 1 10 PHE CE2 C -3.679 3.435 4.006 1.00 . A A . 11 PHE CE2 1 1
8 2074 1 1 10 PHE CG C -3.862 1.960 2.112 1.00 . A A . 11 PHE CG 1 1
8 2075 1 1 10 PHE CZ C -2.333 3.141 4.113 1.00 . A A . 11 PHE CZ 1 1
8 2076 1 1 10 PHE H H -5.437 0.505 -1.491 1.00 . A A . 11 PHE H 1 1
8 2077 1 1 10 PHE HA H -5.043 3.074 -0.119 1.00 . A A . 11 PHE HA 1 1
8 2078 1 1 10 PHE HB2 H -5.712 1.251 1.393 1.00 . A A . 11 PHE HB2 1 1
8 2079 1 1 10 PHE HB3 H -4.315 0.316 0.871 1.00 . A A . 11 PHE HB3 1 1
8 2080 1 1 10 PHE HD1 H -2.049 0.987 1.537 1.00 . A A . 11 PHE HD1 1 1
8 2081 1 1 10 PHE HD2 H -5.489 3.076 2.928 1.00 . A A . 11 PHE HD2 1 1
8 2082 1 1 10 PHE HE1 H -0.696 2.029 3.308 1.00 . A A . 11 PHE HE1 1 1
8 2083 1 1 10 PHE HE2 H -4.139 4.124 4.698 1.00 . A A . 11 PHE HE2 1 1
8 2084 1 1 10 PHE HZ H -1.740 3.600 4.892 1.00 . A A . 11 PHE HZ 1 1
8 2085 1 1 10 PHE N N -5.596 1.435 -1.233 1.00 . A A . 11 PHE N 1 1
8 2086 1 1 10 PHE O O -2.677 0.965 -0.976 1.00 . A A . 11 PHE O 1 1
8 2087 1 1 11 THR C C -0.417 4.152 -0.999 1.00 . A A . 12 THR C 1 1
8 2088 1 1 11 THR CA C -1.291 3.180 -1.778 1.00 . A A . 12 THR CA 1 1
8 2089 1 1 11 THR CB C -1.254 3.527 -3.279 1.00 . A A . 12 THR CB 1 1
8 2090 1 1 11 THR CG2 C 0.174 3.746 -3.772 1.00 . A A . 12 THR CG2 1 1
8 2091 1 1 11 THR H H -3.127 4.056 -1.271 1.00 . A A . 12 THR H 1 1
8 2092 1 1 11 THR HA H -0.902 2.180 -1.653 1.00 . A A . 12 THR HA 1 1
8 2093 1 1 11 THR HB H -1.814 4.439 -3.433 1.00 . A A . 12 THR HB 1 1
8 2094 1 1 11 THR HG1 H -1.876 2.713 -4.962 1.00 . A A . 12 THR HG1 1 1
8 2095 1 1 11 THR HG21 H 0.601 4.599 -3.267 1.00 . A A . 12 THR HG21 1 1
8 2096 1 1 11 THR HG22 H 0.163 3.927 -4.836 1.00 . A A . 12 THR HG22 1 1
8 2097 1 1 11 THR HG23 H 0.770 2.872 -3.562 1.00 . A A . 12 THR HG23 1 1
8 2098 1 1 11 THR N N -2.652 3.194 -1.280 1.00 . A A . 12 THR N 1 1
8 2099 1 1 11 THR O O -0.611 5.370 -1.056 1.00 . A A . 12 THR O 1 1
8 2100 1 1 11 THR OG1 O -1.871 2.475 -4.027 1.00 . A A . 12 THR OG1 1 1
8 2101 1 1 12 SER C C 2.908 3.817 0.182 1.00 . A A . 13 SER C 1 1
8 2102 1 1 12 SER CA C 1.519 4.403 0.445 1.00 . A A . 13 SER CA 1 1
8 2103 1 1 12 SER CB C 1.238 4.450 1.948 1.00 . A A . 13 SER CB 1 1
8 2104 1 1 12 SER H H 0.520 2.629 -0.111 1.00 . A A . 13 SER H 1 1
8 2105 1 1 12 SER HA H 1.472 5.405 0.044 1.00 . A A . 13 SER HA 1 1
8 2106 1 1 12 SER HB2 H 1.339 3.457 2.363 1.00 . A A . 13 SER HB2 1 1
8 2107 1 1 12 SER HB3 H 1.943 5.114 2.424 1.00 . A A . 13 SER HB3 1 1
8 2108 1 1 12 SER HG H -0.521 5.087 1.365 1.00 . A A . 13 SER HG 1 1
8 2109 1 1 12 SER N N 0.510 3.604 -0.228 1.00 . A A . 13 SER N 1 1
8 2110 1 1 12 SER O O 3.234 2.736 0.678 1.00 . A A . 13 SER O 1 1
8 2111 1 1 12 SER OG O -0.076 4.920 2.202 1.00 . A A . 13 SER OG 1 1
8 2112 1 1 13 CYS C C 6.105 4.981 -0.386 1.00 . A A . 14 CYS C 1 1
8 2113 1 1 13 CYS CA C 5.050 4.032 -0.937 1.00 . A A . 14 CYS CA 1 1
8 2114 1 1 13 CYS CB C 5.216 3.902 -2.457 1.00 . A A . 14 CYS CB 1 1
8 2115 1 1 13 CYS H H 3.412 5.368 -0.988 1.00 . A A . 14 CYS H 1 1
8 2116 1 1 13 CYS HA H 5.179 3.060 -0.483 1.00 . A A . 14 CYS HA 1 1
8 2117 1 1 13 CYS HB2 H 5.242 4.890 -2.890 1.00 . A A . 14 CYS HB2 1 1
8 2118 1 1 13 CYS HB3 H 6.153 3.404 -2.665 1.00 . A A . 14 CYS HB3 1 1
8 2119 1 1 13 CYS N N 3.718 4.513 -0.607 1.00 . A A . 14 CYS N 1 1
8 2120 1 1 13 CYS O O 6.181 6.139 -0.790 1.00 . A A . 14 CYS O 1 1
8 2121 1 1 13 CYS SG S 3.894 2.968 -3.307 1.00 . A A . 14 CYS SG 1 1
8 2122 1 1 14 LYS C C 9.317 4.909 0.517 1.00 . A A . 15 LYS C 1 1
8 2123 1 1 14 LYS CA C 7.972 5.302 1.120 1.00 . A A . 15 LYS CA 1 1
8 2124 1 1 14 LYS CB C 8.007 5.155 2.646 1.00 . A A . 15 LYS CB 1 1
8 2125 1 1 14 LYS CD C 8.420 3.543 4.534 1.00 . A A . 15 LYS CD 1 1
8 2126 1 1 14 LYS CE C 9.913 3.233 4.525 1.00 . A A . 15 LYS CE 1 1
8 2127 1 1 14 LYS CG C 7.870 3.720 3.128 1.00 . A A . 15 LYS CG 1 1
8 2128 1 1 14 LYS H H 6.782 3.576 0.857 1.00 . A A . 15 LYS H 1 1
8 2129 1 1 14 LYS HA H 7.772 6.334 0.876 1.00 . A A . 15 LYS HA 1 1
8 2130 1 1 14 LYS HB2 H 8.945 5.547 3.014 1.00 . A A . 15 LYS HB2 1 1
8 2131 1 1 14 LYS HB3 H 7.198 5.732 3.070 1.00 . A A . 15 LYS HB3 1 1
8 2132 1 1 14 LYS HD2 H 8.256 4.454 5.091 1.00 . A A . 15 LYS HD2 1 1
8 2133 1 1 14 LYS HD3 H 7.896 2.728 5.013 1.00 . A A . 15 LYS HD3 1 1
8 2134 1 1 14 LYS HE2 H 10.251 3.154 5.546 1.00 . A A . 15 LYS HE2 1 1
8 2135 1 1 14 LYS HE3 H 10.062 2.287 4.025 1.00 . A A . 15 LYS HE3 1 1
8 2136 1 1 14 LYS HG2 H 6.826 3.445 3.127 1.00 . A A . 15 LYS HG2 1 1
8 2137 1 1 14 LYS HG3 H 8.415 3.072 2.455 1.00 . A A . 15 LYS HG3 1 1
8 2138 1 1 14 LYS HZ1 H 11.734 4.052 3.912 1.00 . A A . 15 LYS HZ1 1 1
8 2139 1 1 14 LYS HZ2 H 10.551 5.211 4.262 1.00 . A A . 15 LYS HZ2 1 1
8 2140 1 1 14 LYS HZ3 H 10.466 4.319 2.819 1.00 . A A . 15 LYS HZ3 1 1
8 2141 1 1 14 LYS N N 6.904 4.498 0.549 1.00 . A A . 15 LYS N 1 1
8 2142 1 1 14 LYS NZ N 10.720 4.276 3.833 1.00 . A A . 15 LYS NZ 1 1
8 2143 1 1 14 LYS O O 9.596 5.323 -0.628 1.00 . A A . 15 LYS O 1 1
8 2144 1 1 14 LYS OXT O 10.092 4.192 1.188 1.00 . A A . 15 LYS OXT 1 1
8 2145 2 2 1 . C1 C 8.067 -3.312 0.361 1.00 . B A . 101 OCA C1 1 1
8 2146 2 2 1 . C2 C 7.257 -3.370 1.652 1.00 . B A . 101 OCA C2 1 1
8 2147 2 2 1 . C3 C 8.057 -3.916 2.824 1.00 . B A . 101 OCA C3 1 1
8 2148 2 2 1 . C4 C 7.626 -5.331 3.177 1.00 . B A . 101 OCA C4 1 1
8 2149 2 2 1 . C5 C 6.977 -5.393 4.551 1.00 . B A . 101 OCA C5 1 1
8 2150 2 2 1 . C6 C 7.986 -5.747 5.630 1.00 . B A . 101 OCA C6 1 1
8 2151 2 2 1 . C7 C 7.370 -6.604 6.726 1.00 . B A . 101 OCA C7 1 1
8 2152 2 2 1 . C8 C 6.901 -7.944 6.205 1.00 . B A . 101 OCA C8 1 1
8 2153 2 2 1 . H21 H 6.398 -4.005 1.491 1.00 . B A . 101 OCA H21 1 1
8 2154 2 2 1 . H22 H 6.925 -2.372 1.894 1.00 . B A . 101 OCA H22 1 1
8 2155 2 2 1 . H31 H 9.104 -3.924 2.559 1.00 . B A . 101 OCA H31 1 1
8 2156 2 2 1 . H32 H 7.904 -3.277 3.681 1.00 . B A . 101 OCA H32 1 1
8 2157 2 2 1 . H41 H 6.915 -5.673 2.441 1.00 . B A . 101 OCA H41 1 1
8 2158 2 2 1 . H42 H 8.494 -5.975 3.169 1.00 . B A . 101 OCA H42 1 1
8 2159 2 2 1 . H51 H 6.544 -4.430 4.778 1.00 . B A . 101 OCA H51 1 1
8 2160 2 2 1 . H52 H 6.202 -6.145 4.538 1.00 . B A . 101 OCA H52 1 1
8 2161 2 2 1 . H61 H 8.802 -6.294 5.178 1.00 . B A . 101 OCA H61 1 1
8 2162 2 2 1 . H62 H 8.362 -4.835 6.068 1.00 . B A . 101 OCA H62 1 1
8 2163 2 2 1 . H71 H 6.520 -6.086 7.146 1.00 . B A . 101 OCA H71 1 1
8 2164 2 2 1 . H72 H 8.108 -6.777 7.494 1.00 . B A . 101 OCA H72 1 1
8 2165 2 2 1 . H81 H 7.729 -8.457 5.739 1.00 . B A . 101 OCA H81 1 1
8 2166 2 2 1 . H82 H 6.116 -7.795 5.481 1.00 . B A . 101 OCA H82 1 1
8 2167 2 2 1 . H83 H 6.527 -8.538 7.026 1.00 . B A . 101 OCA H83 1 1
8 2168 2 2 1 . O1 O 8.167 -4.251 -0.430 1.00 . B A . 101 OCA O1 1 1
9 2169 1 1 1 PRO C C 7.236 -0.072 0.529 1.00 . A A . 2 PRO C 1 1
9 2170 1 1 1 PRO CA C 8.708 -0.437 0.726 1.00 . A A . 2 PRO CA 1 1
9 2171 1 1 1 PRO CB C 9.598 0.763 0.423 1.00 . A A . 2 PRO CB 1 1
9 2172 1 1 1 PRO CD C 9.815 -0.785 -1.408 1.00 . A A . 2 PRO CD 1 1
9 2173 1 1 1 PRO CG C 9.840 0.682 -1.045 1.00 . A A . 2 PRO CG 1 1
9 2174 1 1 1 PRO HA H 8.868 -0.763 1.742 1.00 . A A . 2 PRO HA 1 1
9 2175 1 1 1 PRO HB2 H 9.080 1.674 0.691 1.00 . A A . 2 PRO HB2 1 1
9 2176 1 1 1 PRO HB3 H 10.519 0.687 0.980 1.00 . A A . 2 PRO HB3 1 1
9 2177 1 1 1 PRO HD2 H 9.229 -0.940 -2.303 1.00 . A A . 2 PRO HD2 1 1
9 2178 1 1 1 PRO HD3 H 10.821 -1.155 -1.549 1.00 . A A . 2 PRO HD3 1 1
9 2179 1 1 1 PRO HG2 H 9.058 1.208 -1.573 1.00 . A A . 2 PRO HG2 1 1
9 2180 1 1 1 PRO HG3 H 10.803 1.109 -1.281 1.00 . A A . 2 PRO HG3 1 1
9 2181 1 1 1 PRO N N 9.176 -1.433 -0.243 1.00 . A A . 2 PRO N 1 1
9 2182 1 1 1 PRO O O 6.706 0.799 1.220 1.00 . A A . 2 PRO O 1 1
9 2183 1 1 2 CYS C C 4.337 -1.678 -0.244 1.00 . A A . 3 CYS C 1 1
9 2184 1 1 2 CYS CA C 5.181 -0.494 -0.697 1.00 . A A . 3 CYS CA 1 1
9 2185 1 1 2 CYS CB C 4.976 -0.256 -2.195 1.00 . A A . 3 CYS CB 1 1
9 2186 1 1 2 CYS H H 7.067 -1.415 -0.946 1.00 . A A . 3 CYS H 1 1
9 2187 1 1 2 CYS HA H 4.880 0.389 -0.152 1.00 . A A . 3 CYS HA 1 1
9 2188 1 1 2 CYS HB2 H 5.124 -1.186 -2.723 1.00 . A A . 3 CYS HB2 1 1
9 2189 1 1 2 CYS HB3 H 3.966 0.090 -2.361 1.00 . A A . 3 CYS HB3 1 1
9 2190 1 1 2 CYS N N 6.586 -0.742 -0.414 1.00 . A A . 3 CYS N 1 1
9 2191 1 1 2 CYS O O 4.434 -2.771 -0.804 1.00 . A A . 3 CYS O 1 1
9 2192 1 1 2 CYS SG S 6.111 0.976 -2.912 1.00 . A A . 3 CYS SG 1 1
9 2193 1 1 3 LYS C C 1.198 -2.074 1.038 1.00 . A A . 4 LYS C 1 1
9 2194 1 1 3 LYS CA C 2.633 -2.508 1.265 1.00 . A A . 4 LYS CA 1 1
9 2195 1 1 3 LYS CB C 2.856 -2.812 2.753 1.00 . A A . 4 LYS CB 1 1
9 2196 1 1 3 LYS CD C 2.323 -5.303 2.940 1.00 . A A . 4 LYS CD 1 1
9 2197 1 1 3 LYS CE C 2.018 -5.621 1.482 1.00 . A A . 4 LYS CE 1 1
9 2198 1 1 3 LYS CG C 1.924 -3.879 3.334 1.00 . A A . 4 LYS CG 1 1
9 2199 1 1 3 LYS H H 3.550 -0.604 1.247 1.00 . A A . 4 LYS H 1 1
9 2200 1 1 3 LYS HA H 2.820 -3.402 0.689 1.00 . A A . 4 LYS HA 1 1
9 2201 1 1 3 LYS HB2 H 3.868 -3.148 2.888 1.00 . A A . 4 LYS HB2 1 1
9 2202 1 1 3 LYS HB3 H 2.713 -1.901 3.315 1.00 . A A . 4 LYS HB3 1 1
9 2203 1 1 3 LYS HD2 H 3.384 -5.419 3.101 1.00 . A A . 4 LYS HD2 1 1
9 2204 1 1 3 LYS HD3 H 1.788 -5.999 3.570 1.00 . A A . 4 LYS HD3 1 1
9 2205 1 1 3 LYS HE2 H 0.971 -5.428 1.297 1.00 . A A . 4 LYS HE2 1 1
9 2206 1 1 3 LYS HE3 H 2.617 -4.977 0.854 1.00 . A A . 4 LYS HE3 1 1
9 2207 1 1 3 LYS HG2 H 1.945 -3.804 4.410 1.00 . A A . 4 LYS HG2 1 1
9 2208 1 1 3 LYS HG3 H 0.920 -3.687 2.983 1.00 . A A . 4 LYS HG3 1 1
9 2209 1 1 3 LYS HZ1 H 1.578 -7.672 1.536 1.00 . A A . 4 LYS HZ1 1 1
9 2210 1 1 3 LYS HZ2 H 3.237 -7.322 1.541 1.00 . A A . 4 LYS HZ2 1 1
9 2211 1 1 3 LYS HZ3 H 2.343 -7.166 0.107 1.00 . A A . 4 LYS HZ3 1 1
9 2212 1 1 3 LYS N N 3.540 -1.475 0.794 1.00 . A A . 4 LYS N 1 1
9 2213 1 1 3 LYS NZ N 2.313 -7.042 1.142 1.00 . A A . 4 LYS NZ 1 1
9 2214 1 1 3 LYS O O 0.729 -1.105 1.636 1.00 . A A . 4 LYS O 1 1
9 2215 1 1 4 ASN C C -1.746 -3.598 0.485 1.00 . A A . 5 ASN C 1 1
9 2216 1 1 4 ASN CA C -0.882 -2.480 -0.099 1.00 . A A . 5 ASN CA 1 1
9 2217 1 1 4 ASN CB C -1.113 -2.366 -1.610 1.00 . A A . 5 ASN CB 1 1
9 2218 1 1 4 ASN CG C -0.171 -1.375 -2.273 1.00 . A A . 5 ASN CG 1 1
9 2219 1 1 4 ASN H H 0.934 -3.530 -0.297 1.00 . A A . 5 ASN H 1 1
9 2220 1 1 4 ASN HA H -1.116 -1.536 0.366 1.00 . A A . 5 ASN HA 1 1
9 2221 1 1 4 ASN HB2 H -0.965 -3.333 -2.065 1.00 . A A . 5 ASN HB2 1 1
9 2222 1 1 4 ASN HB3 H -2.129 -2.042 -1.787 1.00 . A A . 5 ASN HB3 1 1
9 2223 1 1 4 ASN HD21 H -0.128 -2.488 -3.915 1.00 . A A . 5 ASN HD21 1 1
9 2224 1 1 4 ASN HD22 H 0.829 -1.052 -3.957 1.00 . A A . 5 ASN HD22 1 1
9 2225 1 1 4 ASN N N 0.505 -2.786 0.170 1.00 . A A . 5 ASN N 1 1
9 2226 1 1 4 ASN ND2 N 0.213 -1.666 -3.506 1.00 . A A . 5 ASN ND2 1 1
9 2227 1 1 4 ASN O O -1.716 -4.725 -0.007 1.00 . A A . 5 ASN O 1 1
9 2228 1 1 4 ASN OD1 O 0.221 -0.369 -1.682 1.00 . A A . 5 ASN OD1 1 1
9 2229 1 1 5 . C C -4.480 -4.745 1.391 1.00 . A A . 6 O6H C 1 1
9 2230 1 1 5 . CA C -3.285 -4.316 2.231 1.00 . A A . 6 O6H CA 1 1
9 2231 1 1 5 . CB C -3.748 -3.832 3.608 1.00 . A A . 6 O6H CB 1 1
9 2232 1 1 5 . CD1 C -2.364 -2.053 4.732 1.00 . A A . 6 O6H CD1 1 1
9 2233 1 1 5 . CD2 C -1.793 -4.332 5.142 1.00 . A A . 6 O6H CD2 1 1
9 2234 1 1 5 . CE1 C -1.330 -1.638 5.545 1.00 . A A . 6 O6H CE1 1 1
9 2235 1 1 5 . CE2 C -0.756 -3.927 5.963 1.00 . A A . 6 O6H CE2 1 1
9 2236 1 1 5 . CF1 C -3.235 -1.019 4.084 1.00 . A A . 6 O6H CF1 1 1
9 2237 1 1 5 . CF2 C -2.027 -5.802 4.937 1.00 . A A . 6 O6H CF2 1 1
9 2238 1 1 5 . CG C -2.619 -3.401 4.512 1.00 . A A . 6 O6H CG 1 1
9 2239 1 1 5 . CH C 0.592 -2.125 7.036 1.00 . A A . 6 O6H CH 1 1
9 2240 1 1 5 . CZ C -0.532 -2.579 6.157 1.00 . A A . 6 O6H CZ 1 1
9 2241 1 1 5 . H1 H -2.484 -2.394 1.914 1.00 . A A . 6 O6H H1 1 1
9 2242 1 1 5 . HA H -2.651 -5.177 2.371 1.00 . A A . 6 O6H HA 1 1
9 2243 1 1 5 . HB1 H -4.281 -4.633 4.101 1.00 . A A . 6 O6H HB1 1 1
9 2244 1 1 5 . HB2 H -4.413 -2.991 3.481 1.00 . A A . 6 O6H HB2 1 1
9 2245 1 1 5 . HE1 H -1.150 -0.586 5.703 1.00 . A A . 6 O6H HE1 1 1
9 2246 1 1 5 . HE2 H -0.126 -4.660 6.446 1.00 . A A . 6 O6H HE2 1 1
9 2247 1 1 5 . HF11 H -4.054 -0.700 4.709 1.00 . A A . 6 O6H HF11 1 1
9 2248 1 1 5 . HF12 H -3.690 -1.358 3.166 1.00 . A A . 6 O6H HF12 1 1
9 2249 1 1 5 . HF13 H -2.706 -0.113 3.824 1.00 . A A . 6 O6H HF13 1 1
9 2250 1 1 5 . HF21 H -1.917 -6.384 5.840 1.00 . A A . 6 O6H HF21 1 1
9 2251 1 1 5 . HF22 H -3.015 -6.032 4.568 1.00 . A A . 6 O6H HF22 1 1
9 2252 1 1 5 . HF23 H -1.347 -6.247 4.226 1.00 . A A . 6 O6H HF23 1 1
9 2253 1 1 5 . HH1 H 0.263 -1.548 7.888 1.00 . A A . 6 O6H HH1 1 1
9 2254 1 1 5 . HH2 H 1.171 -2.939 7.447 1.00 . A A . 6 O6H HH2 1 1
9 2255 1 1 5 . HH3 H 1.305 -1.495 6.524 1.00 . A A . 6 O6H HH3 1 1
9 2256 1 1 5 . N N -2.484 -3.305 1.556 1.00 . A A . 6 O6H N 1 1
9 2257 1 1 5 . O O -4.854 -5.917 1.382 1.00 . A A . 6 O6H O 1 1
9 2258 1 1 6 PHE C C -6.268 -4.028 -1.440 1.00 . A A . 7 PHE C 1 1
9 2259 1 1 6 PHE CA C -6.390 -4.025 0.078 1.00 . A A . 7 PHE CA 1 1
9 2260 1 1 6 PHE CB C -7.415 -2.966 0.498 1.00 . A A . 7 PHE CB 1 1
9 2261 1 1 6 PHE CD1 C -7.068 -1.266 2.304 1.00 . A A . 7 PHE CD1 1 1
9 2262 1 1 6 PHE CD2 C -7.472 -3.526 2.947 1.00 . A A . 7 PHE CD2 1 1
9 2263 1 1 6 PHE CE1 C -6.961 -0.903 3.630 1.00 . A A . 7 PHE CE1 1 1
9 2264 1 1 6 PHE CE2 C -7.368 -3.168 4.277 1.00 . A A . 7 PHE CE2 1 1
9 2265 1 1 6 PHE CG C -7.324 -2.579 1.946 1.00 . A A . 7 PHE CG 1 1
9 2266 1 1 6 PHE CZ C -7.111 -1.856 4.619 1.00 . A A . 7 PHE CZ 1 1
9 2267 1 1 6 PHE H H -4.699 -2.896 0.673 1.00 . A A . 7 PHE H 1 1
9 2268 1 1 6 PHE HA H -6.740 -4.995 0.399 1.00 . A A . 7 PHE HA 1 1
9 2269 1 1 6 PHE HB2 H -7.267 -2.074 -0.093 1.00 . A A . 7 PHE HB2 1 1
9 2270 1 1 6 PHE HB3 H -8.408 -3.349 0.318 1.00 . A A . 7 PHE HB3 1 1
9 2271 1 1 6 PHE HD1 H -6.954 -0.519 1.531 1.00 . A A . 7 PHE HD1 1 1
9 2272 1 1 6 PHE HD2 H -7.674 -4.553 2.679 1.00 . A A . 7 PHE HD2 1 1
9 2273 1 1 6 PHE HE1 H -6.763 0.125 3.893 1.00 . A A . 7 PHE HE1 1 1
9 2274 1 1 6 PHE HE2 H -7.481 -3.916 5.048 1.00 . A A . 7 PHE HE2 1 1
9 2275 1 1 6 PHE HZ H -7.026 -1.576 5.657 1.00 . A A . 7 PHE HZ 1 1
9 2276 1 1 6 PHE N N -5.105 -3.783 0.725 1.00 . A A . 7 PHE N 1 1
9 2277 1 1 6 PHE O O -7.149 -4.540 -2.131 1.00 . A A . 7 PHE O 1 1
9 2278 1 1 7 DTR C C -4.990 -1.887 -3.872 1.00 . A A . 8 DTR C 1 1
9 2279 1 1 7 DTR CA C -5.055 -3.342 -3.404 1.00 . A A . 8 DTR CA 1 1
9 2280 1 1 7 DTR CB C -3.818 -4.096 -3.908 1.00 . A A . 8 DTR CB 1 1
9 2281 1 1 7 DTR CD1 C -4.272 -4.776 -6.333 1.00 . A A . 8 DTR CD1 1 1
9 2282 1 1 7 DTR CD2 C -2.921 -3.004 -6.119 1.00 . A A . 8 DTR CD2 1 1
9 2283 1 1 7 DTR CE2 C -3.112 -3.257 -7.487 1.00 . A A . 8 DTR CE2 1 1
9 2284 1 1 7 DTR CE3 C -2.105 -1.933 -5.742 1.00 . A A . 8 DTR CE3 1 1
9 2285 1 1 7 DTR CG C -3.677 -3.985 -5.396 1.00 . A A . 8 DTR CG 1 1
9 2286 1 1 7 DTR CH2 C -1.731 -1.437 -8.080 1.00 . A A . 8 DTR CH2 1 1
9 2287 1 1 7 DTR CZ2 C -2.523 -2.478 -8.477 1.00 . A A . 8 DTR CZ2 1 1
9 2288 1 1 7 DTR CZ3 C -1.516 -1.163 -6.726 1.00 . A A . 8 DTR CZ3 1 1
9 2289 1 1 7 DTR H H -4.515 -3.070 -1.383 1.00 . A A . 8 DTR H 1 1
9 2290 1 1 7 DTR HA H -5.901 -3.843 -3.856 1.00 . A A . 8 DTR HA 1 1
9 2291 1 1 7 DTR HB2 H -2.931 -3.682 -3.450 1.00 . A A . 8 DTR HB2 1 1
9 2292 1 1 7 DTR HB3 H -3.905 -5.141 -3.653 1.00 . A A . 8 DTR HB3 1 1
9 2293 1 1 7 DTR HD1 H -4.911 -5.615 -6.104 1.00 . A A . 8 DTR HD1 1 1
9 2294 1 1 7 DTR HE1 H -4.247 -4.752 -8.440 1.00 . A A . 8 DTR HE1 1 1
9 2295 1 1 7 DTR HE3 H -1.929 -1.708 -4.701 1.00 . A A . 8 DTR HE3 1 1
9 2296 1 1 7 DTR HH2 H -1.250 -0.811 -8.817 1.00 . A A . 8 DTR HH2 1 1
9 2297 1 1 7 DTR HZ2 H -2.687 -2.668 -9.524 1.00 . A A . 8 DTR HZ2 1 1
9 2298 1 1 7 DTR HZ3 H -0.883 -0.331 -6.453 1.00 . A A . 8 DTR HZ3 1 1
9 2299 1 1 7 DTR N N -5.206 -3.440 -1.965 1.00 . A A . 8 DTR N 1 1
9 2300 1 1 7 DTR NE1 N -3.940 -4.343 -7.593 1.00 . A A . 8 DTR NE1 1 1
9 2301 1 1 7 DTR O O -4.134 -1.130 -3.419 1.00 . A A . 8 DTR O 1 1
9 2302 1 1 8 LYS C C -6.420 0.914 -4.671 1.00 . A A . 9 LYS C 1 1
9 2303 1 1 8 LYS CA C -5.776 -0.223 -5.461 1.00 . A A . 9 LYS CA 1 1
9 2304 1 1 8 LYS CB C -6.410 -0.380 -6.855 1.00 . A A . 9 LYS CB 1 1
9 2305 1 1 8 LYS CD C -5.022 1.040 -8.425 1.00 . A A . 9 LYS CD 1 1
9 2306 1 1 8 LYS CE C -3.961 1.566 -7.473 1.00 . A A . 9 LYS CE 1 1
9 2307 1 1 8 LYS CG C -6.372 0.858 -7.744 1.00 . A A . 9 LYS CG 1 1
9 2308 1 1 8 LYS H H -6.716 -2.026 -4.903 1.00 . A A . 9 LYS H 1 1
9 2309 1 1 8 LYS HA H -4.722 -0.015 -5.575 1.00 . A A . 9 LYS HA 1 1
9 2310 1 1 8 LYS HB2 H -5.889 -1.169 -7.375 1.00 . A A . 9 LYS HB2 1 1
9 2311 1 1 8 LYS HB3 H -7.436 -0.677 -6.735 1.00 . A A . 9 LYS HB3 1 1
9 2312 1 1 8 LYS HD2 H -4.696 0.087 -8.814 1.00 . A A . 9 LYS HD2 1 1
9 2313 1 1 8 LYS HD3 H -5.136 1.738 -9.243 1.00 . A A . 9 LYS HD3 1 1
9 2314 1 1 8 LYS HE2 H -3.835 0.855 -6.670 1.00 . A A . 9 LYS HE2 1 1
9 2315 1 1 8 LYS HE3 H -3.030 1.666 -8.013 1.00 . A A . 9 LYS HE3 1 1
9 2316 1 1 8 LYS HG2 H -7.134 0.764 -8.503 1.00 . A A . 9 LYS HG2 1 1
9 2317 1 1 8 LYS HG3 H -6.575 1.727 -7.137 1.00 . A A . 9 LYS HG3 1 1
9 2318 1 1 8 LYS HZ1 H -4.710 3.513 -7.643 1.00 . A A . 9 LYS HZ1 1 1
9 2319 1 1 8 LYS HZ2 H -3.496 3.344 -6.474 1.00 . A A . 9 LYS HZ2 1 1
9 2320 1 1 8 LYS HZ3 H -5.064 2.766 -6.159 1.00 . A A . 9 LYS HZ3 1 1
9 2321 1 1 8 LYS N N -5.909 -1.479 -4.744 1.00 . A A . 9 LYS N 1 1
9 2322 1 1 8 LYS NZ N -4.336 2.886 -6.896 1.00 . A A . 9 LYS NZ 1 1
9 2323 1 1 8 LYS O O -6.310 2.086 -5.037 1.00 . A A . 9 LYS O 1 1
9 2324 1 1 9 THR C C -6.638 2.234 -1.802 1.00 . A A . 10 THR C 1 1
9 2325 1 1 9 THR CA C -7.678 1.552 -2.699 1.00 . A A . 10 THR CA 1 1
9 2326 1 1 9 THR CB C -8.749 0.893 -1.812 1.00 . A A . 10 THR CB 1 1
9 2327 1 1 9 THR CG2 C -9.728 1.931 -1.281 1.00 . A A . 10 THR CG2 1 1
9 2328 1 1 9 THR H H -7.138 -0.388 -3.339 1.00 . A A . 10 THR H 1 1
9 2329 1 1 9 THR HA H -8.156 2.295 -3.320 1.00 . A A . 10 THR HA 1 1
9 2330 1 1 9 THR HB H -8.260 0.418 -0.976 1.00 . A A . 10 THR HB 1 1
9 2331 1 1 9 THR HG1 H -10.004 0.329 -3.242 1.00 . A A . 10 THR HG1 1 1
9 2332 1 1 9 THR HG21 H -10.468 1.445 -0.664 1.00 . A A . 10 THR HG21 1 1
9 2333 1 1 9 THR HG22 H -10.215 2.424 -2.108 1.00 . A A . 10 THR HG22 1 1
9 2334 1 1 9 THR HG23 H -9.191 2.660 -0.692 1.00 . A A . 10 THR HG23 1 1
9 2335 1 1 9 THR N N -7.054 0.564 -3.563 1.00 . A A . 10 THR N 1 1
9 2336 1 1 9 THR O O -6.771 3.413 -1.470 1.00 . A A . 10 THR O 1 1
9 2337 1 1 9 THR OG1 O -9.460 -0.101 -2.564 1.00 . A A . 10 THR OG1 1 1
9 2338 1 1 10 PHE C C -3.162 1.763 -1.149 1.00 . A A . 11 PHE C 1 1
9 2339 1 1 10 PHE CA C -4.567 2.024 -0.544 1.00 . A A . 11 PHE CA 1 1
9 2340 1 1 10 PHE CB C -4.662 1.330 0.820 1.00 . A A . 11 PHE CB 1 1
9 2341 1 1 10 PHE CD1 C -2.447 1.556 1.992 1.00 . A A . 11 PHE CD1 1 1
9 2342 1 1 10 PHE CD2 C -4.275 2.883 2.757 1.00 . A A . 11 PHE CD2 1 1
9 2343 1 1 10 PHE CE1 C -1.636 2.108 2.964 1.00 . A A . 11 PHE CE1 1 1
9 2344 1 1 10 PHE CE2 C -3.466 3.439 3.731 1.00 . A A . 11 PHE CE2 1 1
9 2345 1 1 10 PHE CG C -3.776 1.936 1.876 1.00 . A A . 11 PHE CG 1 1
9 2346 1 1 10 PHE CZ C -2.145 3.051 3.834 1.00 . A A . 11 PHE CZ 1 1
9 2347 1 1 10 PHE H H -5.506 0.583 -1.770 1.00 . A A . 11 PHE H 1 1
9 2348 1 1 10 PHE HA H -4.760 3.074 -0.399 1.00 . A A . 11 PHE HA 1 1
9 2349 1 1 10 PHE HB2 H -5.680 1.385 1.172 1.00 . A A . 11 PHE HB2 1 1
9 2350 1 1 10 PHE HB3 H -4.382 0.294 0.706 1.00 . A A . 11 PHE HB3 1 1
9 2351 1 1 10 PHE HD1 H -2.045 0.820 1.312 1.00 . A A . 11 PHE HD1 1 1
9 2352 1 1 10 PHE HD2 H -5.308 3.188 2.677 1.00 . A A . 11 PHE HD2 1 1
9 2353 1 1 10 PHE HE1 H -0.602 1.802 3.042 1.00 . A A . 11 PHE HE1 1 1
9 2354 1 1 10 PHE HE2 H -3.867 4.174 4.412 1.00 . A A . 11 PHE HE2 1 1
9 2355 1 1 10 PHE HZ H -1.513 3.484 4.595 1.00 . A A . 11 PHE HZ 1 1
9 2356 1 1 10 PHE N N -5.597 1.496 -1.428 1.00 . A A . 11 PHE N 1 1
9 2357 1 1 10 PHE O O -2.755 0.604 -1.204 1.00 . A A . 11 PHE O 1 1
9 2358 1 1 11 THR C C -0.106 3.565 -1.479 1.00 . A A . 12 THR C 1 1
9 2359 1 1 11 THR CA C -1.067 2.563 -2.113 1.00 . A A . 12 THR CA 1 1
9 2360 1 1 11 THR CB C -1.007 2.693 -3.650 1.00 . A A . 12 THR CB 1 1
9 2361 1 1 11 THR CG2 C -1.755 1.556 -4.328 1.00 . A A . 12 THR CG2 1 1
9 2362 1 1 11 THR H H -2.777 3.695 -1.688 1.00 . A A . 12 THR H 1 1
9 2363 1 1 11 THR HA H -0.769 1.562 -1.840 1.00 . A A . 12 THR HA 1 1
9 2364 1 1 11 THR HB H 0.029 2.661 -3.961 1.00 . A A . 12 THR HB 1 1
9 2365 1 1 11 THR HG1 H -1.220 4.648 -3.498 1.00 . A A . 12 THR HG1 1 1
9 2366 1 1 11 THR HG21 H -1.343 0.611 -4.007 1.00 . A A . 12 THR HG21 1 1
9 2367 1 1 11 THR HG22 H -1.654 1.647 -5.398 1.00 . A A . 12 THR HG22 1 1
9 2368 1 1 11 THR HG23 H -2.800 1.603 -4.059 1.00 . A A . 12 THR HG23 1 1
9 2369 1 1 11 THR N N -2.419 2.786 -1.628 1.00 . A A . 12 THR N 1 1
9 2370 1 1 11 THR O O -0.178 4.764 -1.759 1.00 . A A . 12 THR O 1 1
9 2371 1 1 11 THR OG1 O -1.581 3.945 -4.052 1.00 . A A . 12 THR OG1 1 1
9 2372 1 1 12 SER C C 3.135 3.503 0.008 1.00 . A A . 13 SER C 1 1
9 2373 1 1 12 SER CA C 1.681 3.980 0.101 1.00 . A A . 13 SER CA 1 1
9 2374 1 1 12 SER CB C 1.257 4.087 1.564 1.00 . A A . 13 SER CB 1 1
9 2375 1 1 12 SER H H 0.824 2.122 -0.448 1.00 . A A . 13 SER H 1 1
9 2376 1 1 12 SER HA H 1.596 4.955 -0.352 1.00 . A A . 13 SER HA 1 1
9 2377 1 1 12 SER HB2 H 1.313 3.113 2.027 1.00 . A A . 13 SER HB2 1 1
9 2378 1 1 12 SER HB3 H 1.913 4.772 2.080 1.00 . A A . 13 SER HB3 1 1
9 2379 1 1 12 SER HG H -0.475 4.565 0.787 1.00 . A A . 13 SER HG 1 1
9 2380 1 1 12 SER N N 0.775 3.090 -0.611 1.00 . A A . 13 SER N 1 1
9 2381 1 1 12 SER O O 3.467 2.414 0.478 1.00 . A A . 13 SER O 1 1
9 2382 1 1 12 SER OG O -0.074 4.566 1.662 1.00 . A A . 13 SER OG 1 1
9 2383 1 1 13 CYS C C 6.189 5.136 0.041 1.00 . A A . 14 CYS C 1 1
9 2384 1 1 13 CYS CA C 5.417 4.023 -0.658 1.00 . A A . 14 CYS CA 1 1
9 2385 1 1 13 CYS CB C 5.887 3.893 -2.108 1.00 . A A . 14 CYS CB 1 1
9 2386 1 1 13 CYS H H 3.662 5.118 -1.067 1.00 . A A . 14 CYS H 1 1
9 2387 1 1 13 CYS HA H 5.591 3.091 -0.141 1.00 . A A . 14 CYS HA 1 1
9 2388 1 1 13 CYS HB2 H 5.765 4.846 -2.604 1.00 . A A . 14 CYS HB2 1 1
9 2389 1 1 13 CYS HB3 H 6.931 3.619 -2.117 1.00 . A A . 14 CYS HB3 1 1
9 2390 1 1 13 CYS N N 3.993 4.311 -0.612 1.00 . A A . 14 CYS N 1 1
9 2391 1 1 13 CYS O O 6.218 6.273 -0.435 1.00 . A A . 14 CYS O 1 1
9 2392 1 1 13 CYS SG S 4.974 2.648 -3.078 1.00 . A A . 14 CYS SG 1 1
9 2393 1 1 14 LYS C C 8.685 5.154 2.707 1.00 . A A . 15 LYS C 1 1
9 2394 1 1 14 LYS CA C 7.531 5.808 1.949 1.00 . A A . 15 LYS CA 1 1
9 2395 1 1 14 LYS CB C 6.595 6.561 2.907 1.00 . A A . 15 LYS CB 1 1
9 2396 1 1 14 LYS CD C 4.844 6.459 4.712 1.00 . A A . 15 LYS CD 1 1
9 2397 1 1 14 LYS CE C 5.733 7.193 5.701 1.00 . A A . 15 LYS CE 1 1
9 2398 1 1 14 LYS CG C 5.665 5.660 3.712 1.00 . A A . 15 LYS CG 1 1
9 2399 1 1 14 LYS H H 6.711 3.905 1.528 1.00 . A A . 15 LYS H 1 1
9 2400 1 1 14 LYS HA H 7.945 6.515 1.245 1.00 . A A . 15 LYS HA 1 1
9 2401 1 1 14 LYS HB2 H 7.196 7.128 3.601 1.00 . A A . 15 LYS HB2 1 1
9 2402 1 1 14 LYS HB3 H 5.988 7.243 2.331 1.00 . A A . 15 LYS HB3 1 1
9 2403 1 1 14 LYS HD2 H 4.245 7.180 4.177 1.00 . A A . 15 LYS HD2 1 1
9 2404 1 1 14 LYS HD3 H 4.199 5.783 5.254 1.00 . A A . 15 LYS HD3 1 1
9 2405 1 1 14 LYS HE2 H 6.363 6.473 6.202 1.00 . A A . 15 LYS HE2 1 1
9 2406 1 1 14 LYS HE3 H 6.352 7.892 5.157 1.00 . A A . 15 LYS HE3 1 1
9 2407 1 1 14 LYS HG2 H 4.995 5.154 3.034 1.00 . A A . 15 LYS HG2 1 1
9 2408 1 1 14 LYS HG3 H 6.259 4.931 4.245 1.00 . A A . 15 LYS HG3 1 1
9 2409 1 1 14 LYS HZ1 H 4.462 7.271 7.359 1.00 . A A . 15 LYS HZ1 1 1
9 2410 1 1 14 LYS HZ2 H 4.235 8.542 6.257 1.00 . A A . 15 LYS HZ2 1 1
9 2411 1 1 14 LYS HZ3 H 5.583 8.542 7.287 1.00 . A A . 15 LYS HZ3 1 1
9 2412 1 1 14 LYS N N 6.781 4.821 1.185 1.00 . A A . 15 LYS N 1 1
9 2413 1 1 14 LYS NZ N 4.948 7.936 6.722 1.00 . A A . 15 LYS NZ 1 1
9 2414 1 1 14 LYS O O 8.499 4.757 3.876 1.00 . A A . 15 LYS O 1 1
9 2415 1 1 14 LYS OXT O 9.782 5.035 2.124 1.00 . A A . 15 LYS OXT 1 1
9 2416 2 2 1 . C1 C 9.052 -2.773 -0.075 1.00 . B A . 101 OCA C1 1 1
9 2417 2 2 1 . C2 C 8.401 -3.098 1.265 1.00 . B A . 101 OCA C2 1 1
9 2418 2 2 1 . C3 C 9.410 -3.262 2.393 1.00 . B A . 101 OCA C3 1 1
9 2419 2 2 1 . C4 C 8.957 -2.546 3.656 1.00 . B A . 101 OCA C4 1 1
9 2420 2 2 1 . C5 C 7.601 -3.043 4.130 1.00 . B A . 101 OCA C5 1 1
9 2421 2 2 1 . C6 C 7.514 -3.069 5.648 1.00 . B A . 101 OCA C6 1 1
9 2422 2 2 1 . C7 C 7.964 -4.409 6.213 1.00 . B A . 101 OCA C7 1 1
9 2423 2 2 1 . C8 C 7.853 -4.450 7.723 1.00 . B A . 101 OCA C8 1 1
9 2424 2 2 1 . H21 H 7.723 -2.297 1.520 1.00 . B A . 101 OCA H21 1 1
9 2425 2 2 1 . H22 H 7.844 -4.018 1.163 1.00 . B A . 101 OCA H22 1 1
9 2426 2 2 1 . H31 H 10.357 -2.850 2.076 1.00 . B A . 101 OCA H31 1 1
9 2427 2 2 1 . H32 H 9.527 -4.313 2.609 1.00 . B A . 101 OCA H32 1 1
9 2428 2 2 1 . H41 H 9.685 -2.719 4.434 1.00 . B A . 101 OCA H41 1 1
9 2429 2 2 1 . H42 H 8.891 -1.486 3.452 1.00 . B A . 101 OCA H42 1 1
9 2430 2 2 1 . H51 H 6.836 -2.385 3.747 1.00 . B A . 101 OCA H51 1 1
9 2431 2 2 1 . H52 H 7.441 -4.043 3.752 1.00 . B A . 101 OCA H52 1 1
9 2432 2 2 1 . H61 H 8.148 -2.292 6.048 1.00 . B A . 101 OCA H61 1 1
9 2433 2 2 1 . H62 H 6.491 -2.891 5.943 1.00 . B A . 101 OCA H62 1 1
9 2434 2 2 1 . H71 H 8.996 -4.579 5.941 1.00 . B A . 101 OCA H71 1 1
9 2435 2 2 1 . H72 H 7.345 -5.192 5.802 1.00 . B A . 101 OCA H72 1 1
9 2436 2 2 1 . H81 H 6.864 -4.779 8.002 1.00 . B A . 101 OCA H81 1 1
9 2437 2 2 1 . H82 H 8.032 -3.463 8.124 1.00 . B A . 101 OCA H82 1 1
9 2438 2 2 1 . H83 H 8.586 -5.138 8.119 1.00 . B A . 101 OCA H83 1 1
9 2439 2 2 1 . O1 O 9.443 -3.625 -0.873 1.00 . B A . 101 OCA O1 1 1
10 2440 1 1 1 PRO C C 7.456 0.363 0.224 1.00 . A A . 2 PRO C 1 1
10 2441 1 1 1 PRO CA C 8.888 -0.040 0.574 1.00 . A A . 2 PRO CA 1 1
10 2442 1 1 1 PRO CB C 9.868 1.039 0.122 1.00 . A A . 2 PRO CB 1 1
10 2443 1 1 1 PRO CD C 10.146 -0.851 -1.343 1.00 . A A . 2 PRO CD 1 1
10 2444 1 1 1 PRO CG C 10.234 0.655 -1.272 1.00 . A A . 2 PRO CG 1 1
10 2445 1 1 1 PRO HA H 8.970 -0.177 1.642 1.00 . A A . 2 PRO HA 1 1
10 2446 1 1 1 PRO HB2 H 9.384 2.006 0.154 1.00 . A A . 2 PRO HB2 1 1
10 2447 1 1 1 PRO HB3 H 10.731 1.040 0.771 1.00 . A A . 2 PRO HB3 1 1
10 2448 1 1 1 PRO HD2 H 9.643 -1.155 -2.249 1.00 . A A . 2 PRO HD2 1 1
10 2449 1 1 1 PRO HD3 H 11.134 -1.286 -1.297 1.00 . A A . 2 PRO HD3 1 1
10 2450 1 1 1 PRO HG2 H 9.539 1.102 -1.968 1.00 . A A . 2 PRO HG2 1 1
10 2451 1 1 1 PRO HG3 H 11.240 0.981 -1.488 1.00 . A A . 2 PRO HG3 1 1
10 2452 1 1 1 PRO N N 9.354 -1.226 -0.154 1.00 . A A . 2 PRO N 1 1
10 2453 1 1 1 PRO O O 6.925 1.324 0.779 1.00 . A A . 2 PRO O 1 1
10 2454 1 1 2 CYS C C 4.516 -1.158 -0.547 1.00 . A A . 3 CYS C 1 1
10 2455 1 1 2 CYS CA C 5.462 -0.086 -1.086 1.00 . A A . 3 CYS CA 1 1
10 2456 1 1 2 CYS CB C 5.352 -0.025 -2.614 1.00 . A A . 3 CYS CB 1 1
10 2457 1 1 2 CYS H H 7.292 -1.147 -1.077 1.00 . A A . 3 CYS H 1 1
10 2458 1 1 2 CYS HA H 5.190 0.871 -0.671 1.00 . A A . 3 CYS HA 1 1
10 2459 1 1 2 CYS HB2 H 5.497 -1.017 -3.011 1.00 . A A . 3 CYS HB2 1 1
10 2460 1 1 2 CYS HB3 H 4.361 0.317 -2.878 1.00 . A A . 3 CYS HB3 1 1
10 2461 1 1 2 CYS N N 6.827 -0.384 -0.676 1.00 . A A . 3 CYS N 1 1
10 2462 1 1 2 CYS O O 4.635 -2.331 -0.894 1.00 . A A . 3 CYS O 1 1
10 2463 1 1 2 CYS SG S 6.556 1.077 -3.446 1.00 . A A . 3 CYS SG 1 1
10 2464 1 1 3 LYS C C 1.231 -1.351 0.604 1.00 . A A . 4 LYS C 1 1
10 2465 1 1 3 LYS CA C 2.675 -1.685 0.955 1.00 . A A . 4 LYS CA 1 1
10 2466 1 1 3 LYS CB C 2.852 -1.614 2.477 1.00 . A A . 4 LYS CB 1 1
10 2467 1 1 3 LYS CD C 3.033 -3.972 3.376 1.00 . A A . 4 LYS CD 1 1
10 2468 1 1 3 LYS CE C 2.984 -4.840 2.129 1.00 . A A . 4 LYS CE 1 1
10 2469 1 1 3 LYS CG C 2.160 -2.728 3.257 1.00 . A A . 4 LYS CG 1 1
10 2470 1 1 3 LYS H H 3.497 0.207 0.509 1.00 . A A . 4 LYS H 1 1
10 2471 1 1 3 LYS HA H 2.904 -2.681 0.613 1.00 . A A . 4 LYS HA 1 1
10 2472 1 1 3 LYS HB2 H 3.905 -1.652 2.704 1.00 . A A . 4 LYS HB2 1 1
10 2473 1 1 3 LYS HB3 H 2.455 -0.670 2.822 1.00 . A A . 4 LYS HB3 1 1
10 2474 1 1 3 LYS HD2 H 4.054 -3.664 3.541 1.00 . A A . 4 LYS HD2 1 1
10 2475 1 1 3 LYS HD3 H 2.693 -4.553 4.220 1.00 . A A . 4 LYS HD3 1 1
10 2476 1 1 3 LYS HE2 H 3.196 -4.225 1.268 1.00 . A A . 4 LYS HE2 1 1
10 2477 1 1 3 LYS HE3 H 3.736 -5.611 2.212 1.00 . A A . 4 LYS HE3 1 1
10 2478 1 1 3 LYS HG2 H 1.929 -2.371 4.249 1.00 . A A . 4 LYS HG2 1 1
10 2479 1 1 3 LYS HG3 H 1.245 -2.994 2.749 1.00 . A A . 4 LYS HG3 1 1
10 2480 1 1 3 LYS HZ1 H 1.684 -6.169 1.167 1.00 . A A . 4 LYS HZ1 1 1
10 2481 1 1 3 LYS HZ2 H 0.935 -4.767 1.741 1.00 . A A . 4 LYS HZ2 1 1
10 2482 1 1 3 LYS HZ3 H 1.379 -5.985 2.828 1.00 . A A . 4 LYS HZ3 1 1
10 2483 1 1 3 LYS N N 3.584 -0.753 0.309 1.00 . A A . 4 LYS N 1 1
10 2484 1 1 3 LYS NZ N 1.652 -5.481 1.953 1.00 . A A . 4 LYS NZ 1 1
10 2485 1 1 3 LYS O O 0.731 -0.283 0.962 1.00 . A A . 4 LYS O 1 1
10 2486 1 1 4 ASN C C -1.648 -3.142 0.442 1.00 . A A . 5 ASN C 1 1
10 2487 1 1 4 ASN CA C -0.860 -2.092 -0.353 1.00 . A A . 5 ASN CA 1 1
10 2488 1 1 4 ASN CB C -1.176 -2.202 -1.853 1.00 . A A . 5 ASN CB 1 1
10 2489 1 1 4 ASN CG C -0.385 -3.284 -2.568 1.00 . A A . 5 ASN CG 1 1
10 2490 1 1 4 ASN H H 1.039 -3.035 -0.464 1.00 . A A . 5 ASN H 1 1
10 2491 1 1 4 ASN HA H -1.130 -1.102 -0.023 1.00 . A A . 5 ASN HA 1 1
10 2492 1 1 4 ASN HB2 H -2.226 -2.419 -1.976 1.00 . A A . 5 ASN HB2 1 1
10 2493 1 1 4 ASN HB3 H -0.957 -1.255 -2.325 1.00 . A A . 5 ASN HB3 1 1
10 2494 1 1 4 ASN HD21 H 0.987 -1.950 -3.102 1.00 . A A . 5 ASN HD21 1 1
10 2495 1 1 4 ASN HD22 H 1.270 -3.572 -3.626 1.00 . A A . 5 ASN HD22 1 1
10 2496 1 1 4 ASN N N 0.565 -2.250 -0.102 1.00 . A A . 5 ASN N 1 1
10 2497 1 1 4 ASN ND2 N 0.737 -2.898 -3.158 1.00 . A A . 5 ASN ND2 1 1
10 2498 1 1 4 ASN O O -1.568 -4.337 0.152 1.00 . A A . 5 ASN O 1 1
10 2499 1 1 4 ASN OD1 O -0.788 -4.446 -2.618 1.00 . A A . 5 ASN OD1 1 1
10 2500 1 1 5 . C C -4.352 -4.204 1.589 1.00 . A A . 6 O6H C 1 1
10 2501 1 1 5 . CA C -3.141 -3.622 2.313 1.00 . A A . 6 O6H CA 1 1
10 2502 1 1 5 . CB C -3.588 -2.928 3.604 1.00 . A A . 6 O6H CB 1 1
10 2503 1 1 5 . CD1 C -1.789 -3.299 5.336 1.00 . A A . 6 O6H CD1 1 1
10 2504 1 1 5 . CD2 C -2.014 -1.121 4.393 1.00 . A A . 6 O6H CD2 1 1
10 2505 1 1 5 . CE1 C -0.741 -2.857 6.119 1.00 . A A . 6 O6H CE1 1 1
10 2506 1 1 5 . CE2 C -0.969 -0.667 5.172 1.00 . A A . 6 O6H CE2 1 1
10 2507 1 1 5 . CF1 C -2.223 -4.734 5.444 1.00 . A A . 6 O6H CF1 1 1
10 2508 1 1 5 . CF2 C -2.692 -0.158 3.464 1.00 . A A . 6 O6H CF2 1 1
10 2509 1 1 5 . CG C -2.446 -2.441 4.458 1.00 . A A . 6 O6H CG 1 1
10 2510 1 1 5 . CH C 0.804 -1.057 6.881 1.00 . A A . 6 O6H CH 1 1
10 2511 1 1 5 . CZ C -0.336 -1.542 6.033 1.00 . A A . 6 O6H CZ 1 1
10 2512 1 1 5 . H1 H -2.395 -1.757 1.695 1.00 . A A . 6 O6H H1 1 1
10 2513 1 1 5 . HA H -2.483 -4.436 2.577 1.00 . A A . 6 O6H HA 1 1
10 2514 1 1 5 . HB1 H -4.171 -3.619 4.192 1.00 . A A . 6 O6H HB1 1 1
10 2515 1 1 5 . HB2 H -4.197 -2.072 3.351 1.00 . A A . 6 O6H HB2 1 1
10 2516 1 1 5 . HE1 H -0.245 -3.535 6.795 1.00 . A A . 6 O6H HE1 1 1
10 2517 1 1 5 . HE2 H -0.650 0.362 5.105 1.00 . A A . 6 O6H HE2 1 1
10 2518 1 1 5 . HF11 H -2.779 -5.079 4.587 1.00 . A A . 6 O6H HF11 1 1
10 2519 1 1 5 . HF12 H -2.861 -4.926 6.294 1.00 . A A . 6 O6H HF12 1 1
10 2520 1 1 5 . HF13 H -1.398 -5.425 5.545 1.00 . A A . 6 O6H HF13 1 1
10 2521 1 1 5 . HF21 H -3.443 0.448 3.949 1.00 . A A . 6 O6H HF21 1 1
10 2522 1 1 5 . HF22 H -2.010 0.544 3.005 1.00 . A A . 6 O6H HF22 1 1
10 2523 1 1 5 . HF23 H -3.200 -0.640 2.642 1.00 . A A . 6 O6H HF23 1 1
10 2524 1 1 5 . HH1 H 1.754 -1.075 6.370 1.00 . A A . 6 O6H HH1 1 1
10 2525 1 1 5 . HH2 H 0.951 -1.643 7.777 1.00 . A A . 6 O6H HH2 1 1
10 2526 1 1 5 . HH3 H 0.684 -0.039 7.223 1.00 . A A . 6 O6H HH3 1 1
10 2527 1 1 5 . N N -2.376 -2.710 1.476 1.00 . A A . 6 O6H N 1 1
10 2528 1 1 5 . O O -4.676 -5.380 1.753 1.00 . A A . 6 O6H O 1 1
10 2529 1 1 6 PHE C C -6.268 -3.902 -1.260 1.00 . A A . 7 PHE C 1 1
10 2530 1 1 6 PHE CA C -6.334 -3.743 0.254 1.00 . A A . 7 PHE CA 1 1
10 2531 1 1 6 PHE CB C -7.393 -2.701 0.634 1.00 . A A . 7 PHE CB 1 1
10 2532 1 1 6 PHE CD1 C -6.818 -1.061 2.440 1.00 . A A . 7 PHE CD1 1 1
10 2533 1 1 6 PHE CD2 C -7.757 -3.158 3.077 1.00 . A A . 7 PHE CD2 1 1
10 2534 1 1 6 PHE CE1 C -6.736 -0.689 3.768 1.00 . A A . 7 PHE CE1 1 1
10 2535 1 1 6 PHE CE2 C -7.681 -2.790 4.408 1.00 . A A . 7 PHE CE2 1 1
10 2536 1 1 6 PHE CG C -7.328 -2.298 2.080 1.00 . A A . 7 PHE CG 1 1
10 2537 1 1 6 PHE CZ C -7.168 -1.553 4.753 1.00 . A A . 7 PHE CZ 1 1
10 2538 1 1 6 PHE H H -4.667 -2.481 0.624 1.00 . A A . 7 PHE H 1 1
10 2539 1 1 6 PHE HA H -6.614 -4.693 0.685 1.00 . A A . 7 PHE HA 1 1
10 2540 1 1 6 PHE HB2 H -7.253 -1.815 0.033 1.00 . A A . 7 PHE HB2 1 1
10 2541 1 1 6 PHE HB3 H -8.374 -3.109 0.444 1.00 . A A . 7 PHE HB3 1 1
10 2542 1 1 6 PHE HD1 H -6.481 -0.383 1.670 1.00 . A A . 7 PHE HD1 1 1
10 2543 1 1 6 PHE HD2 H -8.158 -4.123 2.808 1.00 . A A . 7 PHE HD2 1 1
10 2544 1 1 6 PHE HE1 H -6.333 0.279 4.033 1.00 . A A . 7 PHE HE1 1 1
10 2545 1 1 6 PHE HE2 H -8.019 -3.469 5.178 1.00 . A A . 7 PHE HE2 1 1
10 2546 1 1 6 PHE HZ H -7.103 -1.265 5.791 1.00 . A A . 7 PHE HZ 1 1
10 2547 1 1 6 PHE N N -5.037 -3.368 0.817 1.00 . A A . 7 PHE N 1 1
10 2548 1 1 6 PHE O O -7.138 -4.523 -1.867 1.00 . A A . 7 PHE O 1 1
10 2549 1 1 7 DTR C C -4.891 -2.024 -3.935 1.00 . A A . 8 DTR C 1 1
10 2550 1 1 7 DTR CA C -5.104 -3.406 -3.314 1.00 . A A . 8 DTR CA 1 1
10 2551 1 1 7 DTR CB C -3.937 -4.335 -3.674 1.00 . A A . 8 DTR CB 1 1
10 2552 1 1 7 DTR CD1 C -4.395 -5.341 -5.987 1.00 . A A . 8 DTR CD1 1 1
10 2553 1 1 7 DTR CD2 C -2.802 -3.767 -5.972 1.00 . A A . 8 DTR CD2 1 1
10 2554 1 1 7 DTR CE2 C -2.963 -4.230 -7.290 1.00 . A A . 8 DTR CE2 1 1
10 2555 1 1 7 DTR CE3 C -1.852 -2.772 -5.720 1.00 . A A . 8 DTR CE3 1 1
10 2556 1 1 7 DTR CG C -3.732 -4.489 -5.152 1.00 . A A . 8 DTR CG 1 1
10 2557 1 1 7 DTR CH2 C -1.290 -2.760 -8.076 1.00 . A A . 8 DTR CH2 1 1
10 2558 1 1 7 DTR CZ2 C -2.211 -3.734 -8.351 1.00 . A A . 8 DTR CZ2 1 1
10 2559 1 1 7 DTR CZ3 C -1.106 -2.280 -6.775 1.00 . A A . 8 DTR CZ3 1 1
10 2560 1 1 7 DTR H H -4.594 -2.818 -1.354 1.00 . A A . 8 DTR H 1 1
10 2561 1 1 7 DTR HA H -5.993 -3.872 -3.721 1.00 . A A . 8 DTR HA 1 1
10 2562 1 1 7 DTR HB2 H -3.027 -3.938 -3.249 1.00 . A A . 8 DTR HB2 1 1
10 2563 1 1 7 DTR HB3 H -4.127 -5.315 -3.257 1.00 . A A . 8 DTR HB3 1 1
10 2564 1 1 7 DTR HD1 H -5.167 -6.027 -5.670 1.00 . A A . 8 DTR HD1 1 1
10 2565 1 1 7 DTR HE1 H -4.265 -5.694 -8.059 1.00 . A A . 8 DTR HE1 1 1
10 2566 1 1 7 DTR HE3 H -1.696 -2.387 -4.723 1.00 . A A . 8 DTR HE3 1 1
10 2567 1 1 7 DTR HH2 H -0.683 -2.348 -8.870 1.00 . A A . 8 DTR HH2 1 1
10 2568 1 1 7 DTR HZ2 H -2.345 -4.088 -9.361 1.00 . A A . 8 DTR HZ2 1 1
10 2569 1 1 7 DTR HZ3 H -0.368 -1.511 -6.599 1.00 . A A . 8 DTR HZ3 1 1
10 2570 1 1 7 DTR N N -5.255 -3.317 -1.876 1.00 . A A . 8 DTR N 1 1
10 2571 1 1 7 DTR NE1 N -3.940 -5.190 -7.273 1.00 . A A . 8 DTR NE1 1 1
10 2572 1 1 7 DTR O O -3.982 -1.302 -3.525 1.00 . A A . 8 DTR O 1 1
10 2573 1 1 8 LYS C C -6.174 0.786 -4.966 1.00 . A A . 9 LYS C 1 1
10 2574 1 1 8 LYS CA C -5.498 -0.400 -5.640 1.00 . A A . 9 LYS CA 1 1
10 2575 1 1 8 LYS CB C -6.011 -0.531 -7.076 1.00 . A A . 9 LYS CB 1 1
10 2576 1 1 8 LYS CD C -5.953 -1.760 -9.259 1.00 . A A . 9 LYS CD 1 1
10 2577 1 1 8 LYS CE C -5.402 -2.951 -10.024 1.00 . A A . 9 LYS CE 1 1
10 2578 1 1 8 LYS CG C -5.460 -1.733 -7.821 1.00 . A A . 9 LYS CG 1 1
10 2579 1 1 8 LYS H H -6.508 -2.182 -5.121 1.00 . A A . 9 LYS H 1 1
10 2580 1 1 8 LYS HA H -4.433 -0.225 -5.664 1.00 . A A . 9 LYS HA 1 1
10 2581 1 1 8 LYS HB2 H -7.088 -0.610 -7.057 1.00 . A A . 9 LYS HB2 1 1
10 2582 1 1 8 LYS HB3 H -5.733 0.357 -7.625 1.00 . A A . 9 LYS HB3 1 1
10 2583 1 1 8 LYS HD2 H -7.030 -1.815 -9.259 1.00 . A A . 9 LYS HD2 1 1
10 2584 1 1 8 LYS HD3 H -5.639 -0.850 -9.752 1.00 . A A . 9 LYS HD3 1 1
10 2585 1 1 8 LYS HE2 H -4.323 -2.907 -10.008 1.00 . A A . 9 LYS HE2 1 1
10 2586 1 1 8 LYS HE3 H -5.731 -3.859 -9.539 1.00 . A A . 9 LYS HE3 1 1
10 2587 1 1 8 LYS HG2 H -4.381 -1.682 -7.819 1.00 . A A . 9 LYS HG2 1 1
10 2588 1 1 8 LYS HG3 H -5.784 -2.634 -7.321 1.00 . A A . 9 LYS HG3 1 1
10 2589 1 1 8 LYS HZ1 H -6.902 -3.012 -11.478 1.00 . A A . 9 LYS HZ1 1 1
10 2590 1 1 8 LYS HZ2 H -5.463 -3.790 -11.938 1.00 . A A . 9 LYS HZ2 1 1
10 2591 1 1 8 LYS HZ3 H -5.545 -2.098 -11.924 1.00 . A A . 9 LYS HZ3 1 1
10 2592 1 1 8 LYS N N -5.729 -1.634 -4.899 1.00 . A A . 9 LYS N 1 1
10 2593 1 1 8 LYS NZ N -5.862 -2.964 -11.438 1.00 . A A . 9 LYS NZ 1 1
10 2594 1 1 8 LYS O O -5.997 1.930 -5.387 1.00 . A A . 9 LYS O 1 1
10 2595 1 1 9 THR C C -6.717 2.256 -2.216 1.00 . A A . 10 THR C 1 1
10 2596 1 1 9 THR CA C -7.649 1.578 -3.219 1.00 . A A . 10 THR CA 1 1
10 2597 1 1 9 THR CB C -8.875 1.020 -2.473 1.00 . A A . 10 THR CB 1 1
10 2598 1 1 9 THR CG2 C -9.764 2.144 -1.960 1.00 . A A . 10 THR CG2 1 1
10 2599 1 1 9 THR H H -7.094 -0.412 -3.660 1.00 . A A . 10 THR H 1 1
10 2600 1 1 9 THR HA H -7.988 2.306 -3.939 1.00 . A A . 10 THR HA 1 1
10 2601 1 1 9 THR HB H -8.532 0.437 -1.629 1.00 . A A . 10 THR HB 1 1
10 2602 1 1 9 THR HG1 H -10.573 0.365 -3.248 1.00 . A A . 10 THR HG1 1 1
10 2603 1 1 9 THR HG21 H -10.097 2.748 -2.792 1.00 . A A . 10 THR HG21 1 1
10 2604 1 1 9 THR HG22 H -9.207 2.758 -1.267 1.00 . A A . 10 THR HG22 1 1
10 2605 1 1 9 THR HG23 H -10.621 1.721 -1.458 1.00 . A A . 10 THR HG23 1 1
10 2606 1 1 9 THR N N -6.959 0.516 -3.933 1.00 . A A . 10 THR N 1 1
10 2607 1 1 9 THR O O -6.737 3.478 -2.063 1.00 . A A . 10 THR O 1 1
10 2608 1 1 9 THR OG1 O -9.628 0.175 -3.351 1.00 . A A . 10 THR OG1 1 1
10 2609 1 1 10 PHE C C -3.528 1.389 -0.887 1.00 . A A . 11 PHE C 1 1
10 2610 1 1 10 PHE CA C -4.924 2.001 -0.604 1.00 . A A . 11 PHE CA 1 1
10 2611 1 1 10 PHE CB C -5.343 1.658 0.832 1.00 . A A . 11 PHE CB 1 1
10 2612 1 1 10 PHE CD1 C -3.359 2.877 1.818 1.00 . A A . 11 PHE CD1 1 1
10 2613 1 1 10 PHE CD2 C -5.435 2.941 2.989 1.00 . A A . 11 PHE CD2 1 1
10 2614 1 1 10 PHE CE1 C -2.777 3.653 2.800 1.00 . A A . 11 PHE CE1 1 1
10 2615 1 1 10 PHE CE2 C -4.857 3.718 3.974 1.00 . A A . 11 PHE CE2 1 1
10 2616 1 1 10 PHE CG C -4.697 2.512 1.897 1.00 . A A . 11 PHE CG 1 1
10 2617 1 1 10 PHE CZ C -3.525 4.074 3.881 1.00 . A A . 11 PHE CZ 1 1
10 2618 1 1 10 PHE H H -5.937 0.494 -1.677 1.00 . A A . 11 PHE H 1 1
10 2619 1 1 10 PHE HA H -4.922 3.075 -0.708 1.00 . A A . 11 PHE HA 1 1
10 2620 1 1 10 PHE HB2 H -6.413 1.775 0.922 1.00 . A A . 11 PHE HB2 1 1
10 2621 1 1 10 PHE HB3 H -5.084 0.629 1.034 1.00 . A A . 11 PHE HB3 1 1
10 2622 1 1 10 PHE HD1 H -2.771 2.553 0.973 1.00 . A A . 11 PHE HD1 1 1
10 2623 1 1 10 PHE HD2 H -6.476 2.664 3.066 1.00 . A A . 11 PHE HD2 1 1
10 2624 1 1 10 PHE HE1 H -1.736 3.930 2.725 1.00 . A A . 11 PHE HE1 1 1
10 2625 1 1 10 PHE HE2 H -5.445 4.048 4.820 1.00 . A A . 11 PHE HE2 1 1
10 2626 1 1 10 PHE HZ H -3.072 4.682 4.650 1.00 . A A . 11 PHE HZ 1 1
10 2627 1 1 10 PHE N N -5.897 1.460 -1.537 1.00 . A A . 11 PHE N 1 1
10 2628 1 1 10 PHE O O -3.348 0.193 -0.642 1.00 . A A . 11 PHE O 1 1
10 2629 1 1 11 THR C C -0.246 2.729 -0.882 1.00 . A A . 12 THR C 1 1
10 2630 1 1 11 THR CA C -1.184 1.661 -1.447 1.00 . A A . 12 THR CA 1 1
10 2631 1 1 11 THR CB C -0.752 1.229 -2.874 1.00 . A A . 12 THR CB 1 1
10 2632 1 1 11 THR CG2 C -0.824 2.383 -3.869 1.00 . A A . 12 THR CG2 1 1
10 2633 1 1 11 THR H H -2.738 3.018 -1.821 1.00 . A A . 12 THR H 1 1
10 2634 1 1 11 THR HA H -1.137 0.792 -0.807 1.00 . A A . 12 THR HA 1 1
10 2635 1 1 11 THR HB H -1.428 0.452 -3.208 1.00 . A A . 12 THR HB 1 1
10 2636 1 1 11 THR HG1 H 1.172 1.270 -3.354 1.00 . A A . 12 THR HG1 1 1
10 2637 1 1 11 THR HG21 H -0.498 2.041 -4.840 1.00 . A A . 12 THR HG21 1 1
10 2638 1 1 11 THR HG22 H -0.185 3.186 -3.536 1.00 . A A . 12 THR HG22 1 1
10 2639 1 1 11 THR HG23 H -1.842 2.738 -3.936 1.00 . A A . 12 THR HG23 1 1
10 2640 1 1 11 THR N N -2.549 2.146 -1.414 1.00 . A A . 12 THR N 1 1
10 2641 1 1 11 THR O O -0.185 3.853 -1.385 1.00 . A A . 12 THR O 1 1
10 2642 1 1 11 THR OG1 O 0.579 0.692 -2.848 1.00 . A A . 12 THR OG1 1 1
10 2643 1 1 12 SER C C 2.799 2.906 0.618 1.00 . A A . 13 SER C 1 1
10 2644 1 1 12 SER CA C 1.346 3.326 0.840 1.00 . A A . 13 SER CA 1 1
10 2645 1 1 12 SER CB C 1.028 3.401 2.337 1.00 . A A . 13 SER CB 1 1
10 2646 1 1 12 SER H H 0.366 1.478 0.550 1.00 . A A . 13 SER H 1 1
10 2647 1 1 12 SER HA H 1.181 4.296 0.400 1.00 . A A . 13 SER HA 1 1
10 2648 1 1 12 SER HB2 H 1.782 3.991 2.834 1.00 . A A . 13 SER HB2 1 1
10 2649 1 1 12 SER HB3 H 0.062 3.864 2.473 1.00 . A A . 13 SER HB3 1 1
10 2650 1 1 12 SER HG H 1.582 1.524 2.424 1.00 . A A . 13 SER HG 1 1
10 2651 1 1 12 SER N N 0.449 2.389 0.190 1.00 . A A . 13 SER N 1 1
10 2652 1 1 12 SER O O 3.191 1.797 0.986 1.00 . A A . 13 SER O 1 1
10 2653 1 1 12 SER OG O 1.000 2.108 2.921 1.00 . A A . 13 SER OG 1 1
10 2654 1 1 13 CYS C C 5.884 4.580 0.258 1.00 . A A . 14 CYS C 1 1
10 2655 1 1 13 CYS CA C 4.985 3.465 -0.258 1.00 . A A . 14 CYS CA 1 1
10 2656 1 1 13 CYS CB C 5.202 3.252 -1.758 1.00 . A A . 14 CYS CB 1 1
10 2657 1 1 13 CYS H H 3.251 4.668 -0.232 1.00 . A A . 14 CYS H 1 1
10 2658 1 1 13 CYS HA H 5.230 2.552 0.268 1.00 . A A . 14 CYS HA 1 1
10 2659 1 1 13 CYS HB2 H 4.482 2.534 -2.123 1.00 . A A . 14 CYS HB2 1 1
10 2660 1 1 13 CYS HB3 H 5.060 4.191 -2.273 1.00 . A A . 14 CYS HB3 1 1
10 2661 1 1 13 CYS N N 3.598 3.779 0.018 1.00 . A A . 14 CYS N 1 1
10 2662 1 1 13 CYS O O 5.691 5.753 -0.080 1.00 . A A . 14 CYS O 1 1
10 2663 1 1 13 CYS SG S 6.868 2.635 -2.175 1.00 . A A . 14 CYS SG 1 1
10 2664 1 1 14 LYS C C 8.561 5.903 0.571 1.00 . A A . 15 LYS C 1 1
10 2665 1 1 14 LYS CA C 7.791 5.165 1.659 1.00 . A A . 15 LYS CA 1 1
10 2666 1 1 14 LYS CB C 8.777 4.470 2.604 1.00 . A A . 15 LYS CB 1 1
10 2667 1 1 14 LYS CD C 9.056 6.384 4.212 1.00 . A A . 15 LYS CD 1 1
10 2668 1 1 14 LYS CE C 9.822 7.688 4.371 1.00 . A A . 15 LYS CE 1 1
10 2669 1 1 14 LYS CG C 9.759 5.435 3.253 1.00 . A A . 15 LYS CG 1 1
10 2670 1 1 14 LYS H H 6.969 3.252 1.281 1.00 . A A . 15 LYS H 1 1
10 2671 1 1 14 LYS HA H 7.214 5.881 2.221 1.00 . A A . 15 LYS HA 1 1
10 2672 1 1 14 LYS HB2 H 8.222 3.970 3.385 1.00 . A A . 15 LYS HB2 1 1
10 2673 1 1 14 LYS HB3 H 9.341 3.737 2.045 1.00 . A A . 15 LYS HB3 1 1
10 2674 1 1 14 LYS HD2 H 8.070 6.604 3.830 1.00 . A A . 15 LYS HD2 1 1
10 2675 1 1 14 LYS HD3 H 8.972 5.908 5.178 1.00 . A A . 15 LYS HD3 1 1
10 2676 1 1 14 LYS HE2 H 9.408 8.236 5.203 1.00 . A A . 15 LYS HE2 1 1
10 2677 1 1 14 LYS HE3 H 10.859 7.460 4.571 1.00 . A A . 15 LYS HE3 1 1
10 2678 1 1 14 LYS HG2 H 10.497 4.869 3.799 1.00 . A A . 15 LYS HG2 1 1
10 2679 1 1 14 LYS HG3 H 10.244 6.013 2.483 1.00 . A A . 15 LYS HG3 1 1
10 2680 1 1 14 LYS HZ1 H 10.133 8.018 2.328 1.00 . A A . 15 LYS HZ1 1 1
10 2681 1 1 14 LYS HZ2 H 10.274 9.415 3.275 1.00 . A A . 15 LYS HZ2 1 1
10 2682 1 1 14 LYS HZ3 H 8.742 8.768 2.942 1.00 . A A . 15 LYS HZ3 1 1
10 2683 1 1 14 LYS N N 6.863 4.206 1.074 1.00 . A A . 15 LYS N 1 1
10 2684 1 1 14 LYS NZ N 9.738 8.529 3.144 1.00 . A A . 15 LYS NZ 1 1
10 2685 1 1 14 LYS O O 9.063 5.240 -0.358 1.00 . A A . 15 LYS O 1 1
10 2686 1 1 14 LYS OXT O 8.675 7.144 0.658 1.00 . A A . 15 LYS OXT 1 1
10 2687 2 2 1 . C1 C 9.107 -2.503 0.231 1.00 . B A . 101 OCA C1 1 1
10 2688 2 2 1 . C2 C 8.248 -2.539 1.492 1.00 . B A . 101 OCA C2 1 1
10 2689 2 2 1 . C3 C 9.062 -2.511 2.774 1.00 . B A . 101 OCA C3 1 1
10 2690 2 2 1 . C4 C 8.329 -1.765 3.878 1.00 . B A . 101 OCA C4 1 1
10 2691 2 2 1 . C5 C 9.293 -1.180 4.898 1.00 . B A . 101 OCA C5 1 1
10 2692 2 2 1 . C6 C 9.662 0.257 4.565 1.00 . B A . 101 OCA C6 1 1
10 2693 2 2 1 . C7 C 11.018 0.339 3.883 1.00 . B A . 101 OCA C7 1 1
10 2694 2 2 1 . C8 C 11.403 1.766 3.565 1.00 . B A . 101 OCA C8 1 1
10 2695 2 2 1 . H21 H 7.656 -3.443 1.479 1.00 . B A . 101 OCA H21 1 1
10 2696 2 2 1 . H22 H 7.590 -1.682 1.483 1.00 . B A . 101 OCA H22 1 1
10 2697 2 2 1 . H31 H 9.245 -3.526 3.099 1.00 . B A . 101 OCA H31 1 1
10 2698 2 2 1 . H32 H 10.002 -2.017 2.581 1.00 . B A . 101 OCA H32 1 1
10 2699 2 2 1 . H41 H 7.757 -0.961 3.438 1.00 . B A . 101 OCA H41 1 1
10 2700 2 2 1 . H42 H 7.663 -2.450 4.380 1.00 . B A . 101 OCA H42 1 1
10 2701 2 2 1 . H51 H 8.828 -1.204 5.872 1.00 . B A . 101 OCA H51 1 1
10 2702 2 2 1 . H52 H 10.192 -1.777 4.910 1.00 . B A . 101 OCA H52 1 1
10 2703 2 2 1 . H61 H 8.911 0.667 3.906 1.00 . B A . 101 OCA H61 1 1
10 2704 2 2 1 . H62 H 9.694 0.831 5.480 1.00 . B A . 101 OCA H62 1 1
10 2705 2 2 1 . H71 H 11.770 -0.081 4.536 1.00 . B A . 101 OCA H71 1 1
10 2706 2 2 1 . H72 H 10.982 -0.218 2.959 1.00 . B A . 101 OCA H72 1 1
10 2707 2 2 1 . H81 H 11.315 2.370 4.456 1.00 . B A . 101 OCA H81 1 1
10 2708 2 2 1 . H82 H 10.744 2.153 2.800 1.00 . B A . 101 OCA H82 1 1
10 2709 2 2 1 . H83 H 12.423 1.793 3.210 1.00 . B A . 101 OCA H83 1 1
10 2710 2 2 1 . O1 O 9.568 -3.504 -0.317 1.00 . B A . 101 OCA O1 1 1
11 2711 1 1 1 PRO C C 7.227 0.410 0.024 1.00 . A A . 2 PRO C 1 1
11 2712 1 1 1 PRO CA C 8.700 0.063 0.221 1.00 . A A . 2 PRO CA 1 1
11 2713 1 1 1 PRO CB C 9.567 0.871 -0.735 1.00 . A A . 2 PRO CB 1 1
11 2714 1 1 1 PRO CD C 9.409 -1.392 -1.578 1.00 . A A . 2 PRO CD 1 1
11 2715 1 1 1 PRO CG C 9.617 0.052 -1.985 1.00 . A A . 2 PRO CG 1 1
11 2716 1 1 1 PRO HA H 8.989 0.276 1.240 1.00 . A A . 2 PRO HA 1 1
11 2717 1 1 1 PRO HB2 H 9.112 1.835 -0.909 1.00 . A A . 2 PRO HB2 1 1
11 2718 1 1 1 PRO HB3 H 10.552 1.002 -0.312 1.00 . A A . 2 PRO HB3 1 1
11 2719 1 1 1 PRO HD2 H 8.620 -1.836 -2.165 1.00 . A A . 2 PRO HD2 1 1
11 2720 1 1 1 PRO HD3 H 10.327 -1.951 -1.695 1.00 . A A . 2 PRO HD3 1 1
11 2721 1 1 1 PRO HG2 H 8.831 0.365 -2.655 1.00 . A A . 2 PRO HG2 1 1
11 2722 1 1 1 PRO HG3 H 10.581 0.169 -2.459 1.00 . A A . 2 PRO HG3 1 1
11 2723 1 1 1 PRO N N 9.021 -1.314 -0.157 1.00 . A A . 2 PRO N 1 1
11 2724 1 1 1 PRO O O 6.770 1.462 0.451 1.00 . A A . 2 PRO O 1 1
11 2725 1 1 2 CYS C C 4.253 -1.368 -0.270 1.00 . A A . 3 CYS C 1 1
11 2726 1 1 2 CYS CA C 5.079 -0.245 -0.877 1.00 . A A . 3 CYS CA 1 1
11 2727 1 1 2 CYS CB C 4.807 -0.154 -2.378 1.00 . A A . 3 CYS CB 1 1
11 2728 1 1 2 CYS H H 6.907 -1.302 -0.949 1.00 . A A . 3 CYS H 1 1
11 2729 1 1 2 CYS HA H 4.806 0.689 -0.411 1.00 . A A . 3 CYS HA 1 1
11 2730 1 1 2 CYS HB2 H 5.116 -1.075 -2.847 1.00 . A A . 3 CYS HB2 1 1
11 2731 1 1 2 CYS HB3 H 3.749 -0.012 -2.535 1.00 . A A . 3 CYS HB3 1 1
11 2732 1 1 2 CYS N N 6.492 -0.473 -0.630 1.00 . A A . 3 CYS N 1 1
11 2733 1 1 2 CYS O O 4.437 -2.536 -0.612 1.00 . A A . 3 CYS O 1 1
11 2734 1 1 2 CYS SG S 5.682 1.212 -3.214 1.00 . A A . 3 CYS SG 1 1
11 2735 1 1 3 LYS C C 1.043 -1.730 0.965 1.00 . A A . 4 LYS C 1 1
11 2736 1 1 3 LYS CA C 2.503 -2.014 1.276 1.00 . A A . 4 LYS CA 1 1
11 2737 1 1 3 LYS CB C 2.716 -2.021 2.794 1.00 . A A . 4 LYS CB 1 1
11 2738 1 1 3 LYS CD C 2.632 -4.523 3.010 1.00 . A A . 4 LYS CD 1 1
11 2739 1 1 3 LYS CE C 2.004 -5.693 3.744 1.00 . A A . 4 LYS CE 1 1
11 2740 1 1 3 LYS CG C 2.065 -3.200 3.497 1.00 . A A . 4 LYS CG 1 1
11 2741 1 1 3 LYS H H 3.241 -0.074 0.877 1.00 . A A . 4 LYS H 1 1
11 2742 1 1 3 LYS HA H 2.766 -2.984 0.877 1.00 . A A . 4 LYS HA 1 1
11 2743 1 1 3 LYS HB2 H 3.776 -2.046 3.001 1.00 . A A . 4 LYS HB2 1 1
11 2744 1 1 3 LYS HB3 H 2.299 -1.113 3.208 1.00 . A A . 4 LYS HB3 1 1
11 2745 1 1 3 LYS HD2 H 2.431 -4.624 1.954 1.00 . A A . 4 LYS HD2 1 1
11 2746 1 1 3 LYS HD3 H 3.698 -4.533 3.180 1.00 . A A . 4 LYS HD3 1 1
11 2747 1 1 3 LYS HE2 H 2.176 -5.569 4.802 1.00 . A A . 4 LYS HE2 1 1
11 2748 1 1 3 LYS HE3 H 0.942 -5.693 3.551 1.00 . A A . 4 LYS HE3 1 1
11 2749 1 1 3 LYS HG2 H 2.240 -3.114 4.559 1.00 . A A . 4 LYS HG2 1 1
11 2750 1 1 3 LYS HG3 H 1.003 -3.179 3.303 1.00 . A A . 4 LYS HG3 1 1
11 2751 1 1 3 LYS HZ1 H 2.197 -7.764 3.907 1.00 . A A . 4 LYS HZ1 1 1
11 2752 1 1 3 LYS HZ2 H 3.614 -6.985 3.394 1.00 . A A . 4 LYS HZ2 1 1
11 2753 1 1 3 LYS HZ3 H 2.319 -7.192 2.321 1.00 . A A . 4 LYS HZ3 1 1
11 2754 1 1 3 LYS N N 3.350 -1.021 0.638 1.00 . A A . 4 LYS N 1 1
11 2755 1 1 3 LYS NZ N 2.574 -6.996 3.311 1.00 . A A . 4 LYS NZ 1 1
11 2756 1 1 3 LYS O O 0.494 -0.713 1.392 1.00 . A A . 4 LYS O 1 1
11 2757 1 1 4 ASN C C -1.769 -3.570 0.657 1.00 . A A . 5 ASN C 1 1
11 2758 1 1 4 ASN CA C -0.997 -2.474 -0.077 1.00 . A A . 5 ASN CA 1 1
11 2759 1 1 4 ASN CB C -1.247 -2.600 -1.585 1.00 . A A . 5 ASN CB 1 1
11 2760 1 1 4 ASN CG C -0.394 -1.654 -2.412 1.00 . A A . 5 ASN CG 1 1
11 2761 1 1 4 ASN H H 0.918 -3.367 -0.174 1.00 . A A . 5 ASN H 1 1
11 2762 1 1 4 ASN HA H -1.317 -1.498 0.257 1.00 . A A . 5 ASN HA 1 1
11 2763 1 1 4 ASN HB2 H -1.028 -3.610 -1.893 1.00 . A A . 5 ASN HB2 1 1
11 2764 1 1 4 ASN HB3 H -2.287 -2.386 -1.787 1.00 . A A . 5 ASN HB3 1 1
11 2765 1 1 4 ASN HD21 H -1.829 -0.277 -2.393 1.00 . A A . 5 ASN HD21 1 1
11 2766 1 1 4 ASN HD22 H -0.390 0.133 -3.261 1.00 . A A . 5 ASN HD22 1 1
11 2767 1 1 4 ASN N N 0.417 -2.614 0.209 1.00 . A A . 5 ASN N 1 1
11 2768 1 1 4 ASN ND2 N -0.921 -0.480 -2.717 1.00 . A A . 5 ASN ND2 1 1
11 2769 1 1 4 ASN O O -1.649 -4.746 0.315 1.00 . A A . 5 ASN O 1 1
11 2770 1 1 4 ASN OD1 O 0.730 -1.982 -2.783 1.00 . A A . 5 ASN OD1 1 1
11 2771 1 1 5 . C C -4.525 -4.633 1.575 1.00 . A A . 6 O6H C 1 1
11 2772 1 1 5 . CA C -3.346 -4.161 2.414 1.00 . A A . 6 O6H CA 1 1
11 2773 1 1 5 . CB C -3.844 -3.568 3.739 1.00 . A A . 6 O6H CB 1 1
11 2774 1 1 5 . CD1 C -2.429 -1.713 4.689 1.00 . A A . 6 O6H CD1 1 1
11 2775 1 1 5 . CD2 C -1.977 -3.942 5.402 1.00 . A A . 6 O6H CD2 1 1
11 2776 1 1 5 . CE1 C -1.411 -1.241 5.490 1.00 . A A . 6 O6H CE1 1 1
11 2777 1 1 5 . CE2 C -0.955 -3.480 6.211 1.00 . A A . 6 O6H CE2 1 1
11 2778 1 1 5 . CF1 C -3.224 -0.741 3.875 1.00 . A A . 6 O6H CF1 1 1
11 2779 1 1 5 . CF2 C -2.269 -5.415 5.367 1.00 . A A . 6 O6H CF2 1 1
11 2780 1 1 5 . CG C -2.734 -3.068 4.627 1.00 . A A . 6 O6H CG 1 1
11 2781 1 1 5 . CH C 0.427 -1.617 7.118 1.00 . A A . 6 O6H CH 1 1
11 2782 1 1 5 . CZ C -0.679 -2.128 6.249 1.00 . A A . 6 O6H CZ 1 1
11 2783 1 1 5 . H1 H -2.523 -2.267 1.986 1.00 . A A . 6 O6H H1 1 1
11 2784 1 1 5 . HA H -2.724 -5.015 2.633 1.00 . A A . 6 O6H HA 1 1
11 2785 1 1 5 . HB1 H -4.388 -4.328 4.282 1.00 . A A . 6 O6H HB1 1 1
11 2786 1 1 5 . HB2 H -4.502 -2.740 3.531 1.00 . A A . 6 O6H HB2 1 1
11 2787 1 1 5 . HE1 H -1.189 -0.184 5.525 1.00 . A A . 6 O6H HE1 1 1
11 2788 1 1 5 . HE2 H -0.377 -4.172 6.807 1.00 . A A . 6 O6H HE2 1 1
11 2789 1 1 5 . HF11 H -4.079 -1.191 3.392 1.00 . A A . 6 O6H HF11 1 1
11 2790 1 1 5 . HF12 H -2.656 -0.283 3.081 1.00 . A A . 6 O6H HF12 1 1
11 2791 1 1 5 . HF13 H -3.621 0.079 4.455 1.00 . A A . 6 O6H HF13 1 1
11 2792 1 1 5 . HF21 H -1.510 -5.990 4.854 1.00 . A A . 6 O6H HF21 1 1
11 2793 1 1 5 . HF22 H -2.348 -5.861 6.347 1.00 . A A . 6 O6H HF22 1 1
11 2794 1 1 5 . HF23 H -3.196 -5.659 4.866 1.00 . A A . 6 O6H HF23 1 1
11 2795 1 1 5 . HH1 H 0.283 -1.831 8.166 1.00 . A A . 6 O6H HH1 1 1
11 2796 1 1 5 . HH2 H 0.555 -0.545 7.060 1.00 . A A . 6 O6H HH2 1 1
11 2797 1 1 5 . HH3 H 1.392 -2.034 6.871 1.00 . A A . 6 O6H HH3 1 1
11 2798 1 1 5 . N N -2.528 -3.199 1.689 1.00 . A A . 6 O6H N 1 1
11 2799 1 1 5 . O O -4.872 -5.813 1.583 1.00 . A A . 6 O6H O 1 1
11 2800 1 1 6 PHE C C -6.245 -4.052 -1.325 1.00 . A A . 7 PHE C 1 1
11 2801 1 1 6 PHE CA C -6.401 -3.963 0.188 1.00 . A A . 7 PHE CA 1 1
11 2802 1 1 6 PHE CB C -7.409 -2.864 0.536 1.00 . A A . 7 PHE CB 1 1
11 2803 1 1 6 PHE CD1 C -7.056 -1.221 2.391 1.00 . A A . 7 PHE CD1 1 1
11 2804 1 1 6 PHE CD2 C -7.778 -3.420 2.958 1.00 . A A . 7 PHE CD2 1 1
11 2805 1 1 6 PHE CE1 C -7.048 -0.874 3.728 1.00 . A A . 7 PHE CE1 1 1
11 2806 1 1 6 PHE CE2 C -7.775 -3.078 4.297 1.00 . A A . 7 PHE CE2 1 1
11 2807 1 1 6 PHE CG C -7.419 -2.494 1.992 1.00 . A A . 7 PHE CG 1 1
11 2808 1 1 6 PHE CZ C -7.408 -1.803 4.682 1.00 . A A . 7 PHE CZ 1 1
11 2809 1 1 6 PHE H H -4.711 -2.823 0.757 1.00 . A A . 7 PHE H 1 1
11 2810 1 1 6 PHE HA H -6.773 -4.908 0.554 1.00 . A A . 7 PHE HA 1 1
11 2811 1 1 6 PHE HB2 H -7.172 -1.978 -0.031 1.00 . A A . 7 PHE HB2 1 1
11 2812 1 1 6 PHE HB3 H -8.401 -3.202 0.270 1.00 . A A . 7 PHE HB3 1 1
11 2813 1 1 6 PHE HD1 H -6.776 -0.493 1.646 1.00 . A A . 7 PHE HD1 1 1
11 2814 1 1 6 PHE HD2 H -8.065 -4.416 2.657 1.00 . A A . 7 PHE HD2 1 1
11 2815 1 1 6 PHE HE1 H -6.766 0.127 4.027 1.00 . A A . 7 PHE HE1 1 1
11 2816 1 1 6 PHE HE2 H -8.058 -3.806 5.041 1.00 . A A . 7 PHE HE2 1 1
11 2817 1 1 6 PHE HZ H -7.397 -1.536 5.727 1.00 . A A . 7 PHE HZ 1 1
11 2818 1 1 6 PHE N N -5.126 -3.704 0.844 1.00 . A A . 7 PHE N 1 1
11 2819 1 1 6 PHE O O -7.118 -4.581 -2.012 1.00 . A A . 7 PHE O 1 1
11 2820 1 1 7 DTR C C -4.679 -2.142 -3.848 1.00 . A A . 8 DTR C 1 1
11 2821 1 1 7 DTR CA C -4.906 -3.545 -3.273 1.00 . A A . 8 DTR CA 1 1
11 2822 1 1 7 DTR CB C -3.697 -4.443 -3.568 1.00 . A A . 8 DTR CB 1 1
11 2823 1 1 7 DTR CD1 C -4.009 -5.558 -5.848 1.00 . A A . 8 DTR CD1 1 1
11 2824 1 1 7 DTR CD2 C -2.537 -3.874 -5.849 1.00 . A A . 8 DTR CD2 1 1
11 2825 1 1 7 DTR CE2 C -2.623 -4.394 -7.153 1.00 . A A . 8 DTR CE2 1 1
11 2826 1 1 7 DTR CE3 C -1.671 -2.803 -5.606 1.00 . A A . 8 DTR CE3 1 1
11 2827 1 1 7 DTR CG C -3.436 -4.630 -5.030 1.00 . A A . 8 DTR CG 1 1
11 2828 1 1 7 DTR CH2 C -1.037 -2.833 -7.942 1.00 . A A . 8 DTR CH2 1 1
11 2829 1 1 7 DTR CZ2 C -1.877 -3.880 -8.209 1.00 . A A . 8 DTR CZ2 1 1
11 2830 1 1 7 DTR CZ3 C -0.929 -2.295 -6.655 1.00 . A A . 8 DTR CZ3 1 1
11 2831 1 1 7 DTR H H -4.507 -3.074 -1.258 1.00 . A A . 8 DTR H 1 1
11 2832 1 1 7 DTR HA H -5.751 -4.021 -3.753 1.00 . A A . 8 DTR HA 1 1
11 2833 1 1 7 DTR HB2 H -2.816 -3.999 -3.127 1.00 . A A . 8 DTR HB2 1 1
11 2834 1 1 7 DTR HB3 H -3.862 -5.415 -3.129 1.00 . A A . 8 DTR HB3 1 1
11 2835 1 1 7 DTR HD1 H -4.737 -6.287 -5.524 1.00 . A A . 8 DTR HD1 1 1
11 2836 1 1 7 DTR HE1 H -3.795 -5.979 -7.901 1.00 . A A . 8 DTR HE1 1 1
11 2837 1 1 7 DTR HE3 H -1.573 -2.375 -4.618 1.00 . A A . 8 DTR HE3 1 1
11 2838 1 1 7 DTR HH2 H -0.438 -2.404 -8.732 1.00 . A A . 8 DTR HH2 1 1
11 2839 1 1 7 DTR HZ2 H -1.951 -4.278 -9.208 1.00 . A A . 8 DTR HZ2 1 1
11 2840 1 1 7 DTR HZ3 H -0.254 -1.469 -6.483 1.00 . A A . 8 DTR HZ3 1 1
11 2841 1 1 7 DTR N N -5.159 -3.503 -1.846 1.00 . A A . 8 DTR N 1 1
11 2842 1 1 7 DTR NE1 N -3.529 -5.422 -7.127 1.00 . A A . 8 DTR NE1 1 1
11 2843 1 1 7 DTR O O -3.827 -1.405 -3.353 1.00 . A A . 8 DTR O 1 1
11 2844 1 1 8 LYS C C -5.934 0.662 -4.937 1.00 . A A . 9 LYS C 1 1
11 2845 1 1 8 LYS CA C -5.203 -0.509 -5.585 1.00 . A A . 9 LYS CA 1 1
11 2846 1 1 8 LYS CB C -5.659 -0.654 -7.040 1.00 . A A . 9 LYS CB 1 1
11 2847 1 1 8 LYS CD C -5.758 -2.092 -9.093 1.00 . A A . 9 LYS CD 1 1
11 2848 1 1 8 LYS CE C -5.237 -3.347 -9.777 1.00 . A A . 9 LYS CE 1 1
11 2849 1 1 8 LYS CG C -5.107 -1.886 -7.736 1.00 . A A . 9 LYS CG 1 1
11 2850 1 1 8 LYS H H -6.226 -2.300 -5.128 1.00 . A A . 9 LYS H 1 1
11 2851 1 1 8 LYS HA H -4.141 -0.320 -5.564 1.00 . A A . 9 LYS HA 1 1
11 2852 1 1 8 LYS HB2 H -6.737 -0.707 -7.064 1.00 . A A . 9 LYS HB2 1 1
11 2853 1 1 8 LYS HB3 H -5.339 0.214 -7.594 1.00 . A A . 9 LYS HB3 1 1
11 2854 1 1 8 LYS HD2 H -6.825 -2.184 -8.958 1.00 . A A . 9 LYS HD2 1 1
11 2855 1 1 8 LYS HD3 H -5.545 -1.238 -9.718 1.00 . A A . 9 LYS HD3 1 1
11 2856 1 1 8 LYS HE2 H -4.181 -3.227 -9.972 1.00 . A A . 9 LYS HE2 1 1
11 2857 1 1 8 LYS HE3 H -5.388 -4.190 -9.119 1.00 . A A . 9 LYS HE3 1 1
11 2858 1 1 8 LYS HG2 H -4.043 -1.763 -7.872 1.00 . A A . 9 LYS HG2 1 1
11 2859 1 1 8 LYS HG3 H -5.295 -2.752 -7.118 1.00 . A A . 9 LYS HG3 1 1
11 2860 1 1 8 LYS HZ1 H -5.824 -2.794 -11.709 1.00 . A A . 9 LYS HZ1 1 1
11 2861 1 1 8 LYS HZ2 H -6.957 -3.760 -10.891 1.00 . A A . 9 LYS HZ2 1 1
11 2862 1 1 8 LYS HZ3 H -5.545 -4.456 -11.519 1.00 . A A . 9 LYS HZ3 1 1
11 2863 1 1 8 LYS N N -5.462 -1.749 -4.859 1.00 . A A . 9 LYS N 1 1
11 2864 1 1 8 LYS NZ N -5.938 -3.607 -11.063 1.00 . A A . 9 LYS NZ 1 1
11 2865 1 1 8 LYS O O -5.791 1.811 -5.355 1.00 . A A . 9 LYS O 1 1
11 2866 1 1 9 THR C C -6.606 2.161 -2.238 1.00 . A A . 10 THR C 1 1
11 2867 1 1 9 THR CA C -7.483 1.377 -3.214 1.00 . A A . 10 THR CA 1 1
11 2868 1 1 9 THR CB C -8.653 0.732 -2.454 1.00 . A A . 10 THR CB 1 1
11 2869 1 1 9 THR CG2 C -9.692 1.773 -2.057 1.00 . A A . 10 THR CG2 1 1
11 2870 1 1 9 THR H H -6.773 -0.571 -3.615 1.00 . A A . 10 THR H 1 1
11 2871 1 1 9 THR HA H -7.884 2.055 -3.952 1.00 . A A . 10 THR HA 1 1
11 2872 1 1 9 THR HB H -8.271 0.262 -1.558 1.00 . A A . 10 THR HB 1 1
11 2873 1 1 9 THR HG1 H -9.371 0.090 -4.183 1.00 . A A . 10 THR HG1 1 1
11 2874 1 1 9 THR HG21 H -10.503 1.289 -1.534 1.00 . A A . 10 THR HG21 1 1
11 2875 1 1 9 THR HG22 H -10.074 2.257 -2.944 1.00 . A A . 10 THR HG22 1 1
11 2876 1 1 9 THR HG23 H -9.236 2.510 -1.413 1.00 . A A . 10 THR HG23 1 1
11 2877 1 1 9 THR N N -6.706 0.361 -3.905 1.00 . A A . 10 THR N 1 1
11 2878 1 1 9 THR O O -6.714 3.382 -2.132 1.00 . A A . 10 THR O 1 1
11 2879 1 1 9 THR OG1 O -9.265 -0.262 -3.285 1.00 . A A . 10 THR OG1 1 1
11 2880 1 1 10 PHE C C -3.379 2.065 -1.152 1.00 . A A . 11 PHE C 1 1
11 2881 1 1 10 PHE CA C -4.826 2.100 -0.596 1.00 . A A . 11 PHE CA 1 1
11 2882 1 1 10 PHE CB C -4.879 1.350 0.739 1.00 . A A . 11 PHE CB 1 1
11 2883 1 1 10 PHE CD1 C -5.051 2.727 2.833 1.00 . A A . 11 PHE CD1 1 1
11 2884 1 1 10 PHE CD2 C -2.875 2.188 2.016 1.00 . A A . 11 PHE CD2 1 1
11 2885 1 1 10 PHE CE1 C -4.486 3.417 3.889 1.00 . A A . 11 PHE CE1 1 1
11 2886 1 1 10 PHE CE2 C -2.306 2.879 3.068 1.00 . A A . 11 PHE CE2 1 1
11 2887 1 1 10 PHE CG C -4.254 2.102 1.885 1.00 . A A . 11 PHE CG 1 1
11 2888 1 1 10 PHE CZ C -3.112 3.493 4.006 1.00 . A A . 11 PHE CZ 1 1
11 2889 1 1 10 PHE H H -5.636 0.498 -1.704 1.00 . A A . 11 PHE H 1 1
11 2890 1 1 10 PHE HA H -5.188 3.105 -0.444 1.00 . A A . 11 PHE HA 1 1
11 2891 1 1 10 PHE HB2 H -5.912 1.158 0.993 1.00 . A A . 11 PHE HB2 1 1
11 2892 1 1 10 PHE HB3 H -4.361 0.408 0.636 1.00 . A A . 11 PHE HB3 1 1
11 2893 1 1 10 PHE HD1 H -6.125 2.668 2.743 1.00 . A A . 11 PHE HD1 1 1
11 2894 1 1 10 PHE HD2 H -2.243 1.711 1.281 1.00 . A A . 11 PHE HD2 1 1
11 2895 1 1 10 PHE HE1 H -5.118 3.898 4.620 1.00 . A A . 11 PHE HE1 1 1
11 2896 1 1 10 PHE HE2 H -1.232 2.936 3.159 1.00 . A A . 11 PHE HE2 1 1
11 2897 1 1 10 PHE HZ H -2.669 4.031 4.829 1.00 . A A . 11 PHE HZ 1 1
11 2898 1 1 10 PHE N N -5.714 1.461 -1.551 1.00 . A A . 11 PHE N 1 1
11 2899 1 1 10 PHE O O -2.912 0.979 -1.492 1.00 . A A . 11 PHE O 1 1
11 2900 1 1 11 THR C C -0.352 3.883 -0.820 1.00 . A A . 12 THR C 1 1
11 2901 1 1 11 THR CA C -1.294 3.159 -1.773 1.00 . A A . 12 THR CA 1 1
11 2902 1 1 11 THR CB C -1.212 3.804 -3.173 1.00 . A A . 12 THR CB 1 1
11 2903 1 1 11 THR CG2 C 0.193 3.691 -3.754 1.00 . A A . 12 THR CG2 1 1
11 2904 1 1 11 THR H H -3.009 4.065 -0.985 1.00 . A A . 12 THR H 1 1
11 2905 1 1 11 THR HA H -0.992 2.125 -1.852 1.00 . A A . 12 THR HA 1 1
11 2906 1 1 11 THR HB H -1.469 4.850 -3.088 1.00 . A A . 12 THR HB 1 1
11 2907 1 1 11 THR HG1 H -2.688 2.548 -3.543 1.00 . A A . 12 THR HG1 1 1
11 2908 1 1 11 THR HG21 H 0.895 4.180 -3.095 1.00 . A A . 12 THR HG21 1 1
11 2909 1 1 11 THR HG22 H 0.220 4.167 -4.723 1.00 . A A . 12 THR HG22 1 1
11 2910 1 1 11 THR HG23 H 0.459 2.650 -3.857 1.00 . A A . 12 THR HG23 1 1
11 2911 1 1 11 THR N N -2.652 3.198 -1.259 1.00 . A A . 12 THR N 1 1
11 2912 1 1 11 THR O O -0.449 5.098 -0.645 1.00 . A A . 12 THR O 1 1
11 2913 1 1 11 THR OG1 O -2.148 3.163 -4.050 1.00 . A A . 12 THR OG1 1 1
11 2914 1 1 12 SER C C 2.910 3.234 0.358 1.00 . A A . 13 SER C 1 1
11 2915 1 1 12 SER CA C 1.506 3.713 0.724 1.00 . A A . 13 SER CA 1 1
11 2916 1 1 12 SER CB C 1.177 3.338 2.171 1.00 . A A . 13 SER CB 1 1
11 2917 1 1 12 SER H H 0.544 2.165 -0.334 1.00 . A A . 13 SER H 1 1
11 2918 1 1 12 SER HA H 1.452 4.786 0.621 1.00 . A A . 13 SER HA 1 1
11 2919 1 1 12 SER HB2 H 0.152 3.607 2.384 1.00 . A A . 13 SER HB2 1 1
11 2920 1 1 12 SER HB3 H 1.303 2.273 2.302 1.00 . A A . 13 SER HB3 1 1
11 2921 1 1 12 SER HG H 1.503 4.348 3.820 1.00 . A A . 13 SER HG 1 1
11 2922 1 1 12 SER N N 0.536 3.133 -0.184 1.00 . A A . 13 SER N 1 1
11 2923 1 1 12 SER O O 3.222 2.047 0.499 1.00 . A A . 13 SER O 1 1
11 2924 1 1 12 SER OG O 2.027 4.014 3.085 1.00 . A A . 13 SER OG 1 1
11 2925 1 1 13 CYS C C 6.062 4.706 0.297 1.00 . A A . 14 CYS C 1 1
11 2926 1 1 13 CYS CA C 5.110 3.815 -0.485 1.00 . A A . 14 CYS CA 1 1
11 2927 1 1 13 CYS CB C 5.353 3.970 -1.990 1.00 . A A . 14 CYS CB 1 1
11 2928 1 1 13 CYS H H 3.416 5.056 -0.317 1.00 . A A . 14 CYS H 1 1
11 2929 1 1 13 CYS HA H 5.287 2.787 -0.205 1.00 . A A . 14 CYS HA 1 1
11 2930 1 1 13 CYS HB2 H 5.069 4.966 -2.293 1.00 . A A . 14 CYS HB2 1 1
11 2931 1 1 13 CYS HB3 H 6.405 3.824 -2.192 1.00 . A A . 14 CYS HB3 1 1
11 2932 1 1 13 CYS N N 3.737 4.139 -0.151 1.00 . A A . 14 CYS N 1 1
11 2933 1 1 13 CYS O O 5.927 5.931 0.295 1.00 . A A . 14 CYS O 1 1
11 2934 1 1 13 CYS SG S 4.419 2.791 -3.023 1.00 . A A . 14 CYS SG 1 1
11 2935 1 1 14 LYS C C 9.399 4.379 1.278 1.00 . A A . 15 LYS C 1 1
11 2936 1 1 14 LYS CA C 8.010 4.808 1.731 1.00 . A A . 15 LYS CA 1 1
11 2937 1 1 14 LYS CB C 7.840 4.552 3.230 1.00 . A A . 15 LYS CB 1 1
11 2938 1 1 14 LYS CD C 8.634 5.033 5.567 1.00 . A A . 15 LYS CD 1 1
11 2939 1 1 14 LYS CE C 9.578 5.863 6.422 1.00 . A A . 15 LYS CE 1 1
11 2940 1 1 14 LYS CG C 8.809 5.345 4.091 1.00 . A A . 15 LYS CG 1 1
11 2941 1 1 14 LYS H H 7.044 3.102 0.950 1.00 . A A . 15 LYS H 1 1
11 2942 1 1 14 LYS HA H 7.885 5.863 1.533 1.00 . A A . 15 LYS HA 1 1
11 2943 1 1 14 LYS HB2 H 6.834 4.816 3.520 1.00 . A A . 15 LYS HB2 1 1
11 2944 1 1 14 LYS HB3 H 7.998 3.501 3.424 1.00 . A A . 15 LYS HB3 1 1
11 2945 1 1 14 LYS HD2 H 7.617 5.252 5.854 1.00 . A A . 15 LYS HD2 1 1
11 2946 1 1 14 LYS HD3 H 8.841 3.984 5.729 1.00 . A A . 15 LYS HD3 1 1
11 2947 1 1 14 LYS HE2 H 9.355 6.909 6.271 1.00 . A A . 15 LYS HE2 1 1
11 2948 1 1 14 LYS HE3 H 9.422 5.607 7.459 1.00 . A A . 15 LYS HE3 1 1
11 2949 1 1 14 LYS HG2 H 9.817 5.098 3.799 1.00 . A A . 15 LYS HG2 1 1
11 2950 1 1 14 LYS HG3 H 8.635 6.399 3.933 1.00 . A A . 15 LYS HG3 1 1
11 2951 1 1 14 LYS HZ1 H 11.625 6.171 6.693 1.00 . A A . 15 LYS HZ1 1 1
11 2952 1 1 14 LYS HZ2 H 11.181 5.894 5.081 1.00 . A A . 15 LYS HZ2 1 1
11 2953 1 1 14 LYS HZ3 H 11.225 4.605 6.182 1.00 . A A . 15 LYS HZ3 1 1
11 2954 1 1 14 LYS N N 7.010 4.086 0.971 1.00 . A A . 15 LYS N 1 1
11 2955 1 1 14 LYS NZ N 11.000 5.615 6.071 1.00 . A A . 15 LYS NZ 1 1
11 2956 1 1 14 LYS O O 10.054 5.148 0.550 1.00 . A A . 15 LYS O 1 1
11 2957 1 1 14 LYS OXT O 9.813 3.255 1.623 1.00 . A A . 15 LYS OXT 1 1
11 2958 2 2 1 . C1 C 9.004 -2.362 0.703 1.00 . B A . 101 OCA C1 1 1
11 2959 2 2 1 . C2 C 8.620 -1.918 2.114 1.00 . B A . 101 OCA C2 1 1
11 2960 2 2 1 . C3 C 7.121 -2.008 2.373 1.00 . B A . 101 OCA C3 1 1
11 2961 2 2 1 . C4 C 6.645 -0.937 3.344 1.00 . B A . 101 OCA C4 1 1
11 2962 2 2 1 . C5 C 5.983 -1.553 4.569 1.00 . B A . 101 OCA C5 1 1
11 2963 2 2 1 . C6 C 5.715 -0.533 5.675 1.00 . B A . 101 OCA C6 1 1
11 2964 2 2 1 . C7 C 6.948 -0.250 6.527 1.00 . B A . 101 OCA C7 1 1
11 2965 2 2 1 . C8 C 7.891 0.736 5.874 1.00 . B A . 101 OCA C8 1 1
11 2966 2 2 1 . H21 H 9.135 -2.547 2.824 1.00 . B A . 101 OCA H21 1 1
11 2967 2 2 1 . H22 H 8.933 -0.893 2.250 1.00 . B A . 101 OCA H22 1 1
11 2968 2 2 1 . H31 H 6.895 -2.980 2.787 1.00 . B A . 101 OCA H31 1 1
11 2969 2 2 1 . H32 H 6.599 -1.883 1.437 1.00 . B A . 101 OCA H32 1 1
11 2970 2 2 1 . H41 H 7.495 -0.351 3.662 1.00 . B A . 101 OCA H41 1 1
11 2971 2 2 1 . H42 H 5.932 -0.300 2.842 1.00 . B A . 101 OCA H42 1 1
11 2972 2 2 1 . H51 H 5.045 -1.995 4.270 1.00 . B A . 101 OCA H51 1 1
11 2973 2 2 1 . H52 H 6.633 -2.322 4.960 1.00 . B A . 101 OCA H52 1 1
11 2974 2 2 1 . H61 H 5.387 0.391 5.222 1.00 . B A . 101 OCA H61 1 1
11 2975 2 2 1 . H62 H 4.933 -0.916 6.313 1.00 . B A . 101 OCA H62 1 1
11 2976 2 2 1 . H71 H 7.482 -1.175 6.689 1.00 . B A . 101 OCA H71 1 1
11 2977 2 2 1 . H72 H 6.634 0.158 7.477 1.00 . B A . 101 OCA H72 1 1
11 2978 2 2 1 . H81 H 7.537 0.970 4.881 1.00 . B A . 101 OCA H81 1 1
11 2979 2 2 1 . H82 H 8.879 0.301 5.809 1.00 . B A . 101 OCA H82 1 1
11 2980 2 2 1 . H83 H 7.934 1.639 6.464 1.00 . B A . 101 OCA H83 1 1
11 2981 2 2 1 . O1 O 9.220 -3.534 0.387 1.00 . B A . 101 OCA O1 1 1
12 2982 1 1 1 PRO C C 7.251 0.301 0.044 1.00 . A A . 2 PRO C 1 1
12 2983 1 1 1 PRO CA C 8.740 -0.040 -0.055 1.00 . A A . 2 PRO CA 1 1
12 2984 1 1 1 PRO CB C 9.517 1.144 -0.620 1.00 . A A . 2 PRO CB 1 1
12 2985 1 1 1 PRO CD C 9.141 -0.483 -2.387 1.00 . A A . 2 PRO CD 1 1
12 2986 1 1 1 PRO CG C 9.459 0.973 -2.108 1.00 . A A . 2 PRO CG 1 1
12 2987 1 1 1 PRO HA H 9.123 -0.299 0.920 1.00 . A A . 2 PRO HA 1 1
12 2988 1 1 1 PRO HB2 H 9.046 2.068 -0.309 1.00 . A A . 2 PRO HB2 1 1
12 2989 1 1 1 PRO HB3 H 10.534 1.115 -0.261 1.00 . A A . 2 PRO HB3 1 1
12 2990 1 1 1 PRO HD2 H 8.214 -0.570 -2.935 1.00 . A A . 2 PRO HD2 1 1
12 2991 1 1 1 PRO HD3 H 9.949 -0.947 -2.936 1.00 . A A . 2 PRO HD3 1 1
12 2992 1 1 1 PRO HG2 H 8.684 1.604 -2.518 1.00 . A A . 2 PRO HG2 1 1
12 2993 1 1 1 PRO HG3 H 10.414 1.233 -2.540 1.00 . A A . 2 PRO HG3 1 1
12 2994 1 1 1 PRO N N 9.013 -1.077 -1.047 1.00 . A A . 2 PRO N 1 1
12 2995 1 1 1 PRO O O 6.858 1.221 0.761 1.00 . A A . 2 PRO O 1 1
12 2996 1 1 2 CYS C C 4.237 -1.324 -0.039 1.00 . A A . 3 CYS C 1 1
12 2997 1 1 2 CYS CA C 4.995 -0.187 -0.714 1.00 . A A . 3 CYS CA 1 1
12 2998 1 1 2 CYS CB C 4.517 -0.051 -2.163 1.00 . A A . 3 CYS CB 1 1
12 2999 1 1 2 CYS H H 6.792 -1.181 -1.224 1.00 . A A . 3 CYS H 1 1
12 3000 1 1 2 CYS HA H 4.802 0.735 -0.187 1.00 . A A . 3 CYS HA 1 1
12 3001 1 1 2 CYS HB2 H 4.531 -1.022 -2.632 1.00 . A A . 3 CYS HB2 1 1
12 3002 1 1 2 CYS HB3 H 3.506 0.329 -2.166 1.00 . A A . 3 CYS HB3 1 1
12 3003 1 1 2 CYS N N 6.428 -0.442 -0.685 1.00 . A A . 3 CYS N 1 1
12 3004 1 1 2 CYS O O 4.417 -2.489 -0.389 1.00 . A A . 3 CYS O 1 1
12 3005 1 1 2 CYS SG S 5.531 1.071 -3.184 1.00 . A A . 3 CYS SG 1 1
12 3006 1 1 3 LYS C C 1.075 -1.629 1.249 1.00 . A A . 4 LYS C 1 1
12 3007 1 1 3 LYS CA C 2.519 -1.985 1.532 1.00 . A A . 4 LYS CA 1 1
12 3008 1 1 3 LYS CB C 2.735 -2.104 3.044 1.00 . A A . 4 LYS CB 1 1
12 3009 1 1 3 LYS CD C 2.013 -4.523 3.027 1.00 . A A . 4 LYS CD 1 1
12 3010 1 1 3 LYS CE C 3.409 -5.101 3.199 1.00 . A A . 4 LYS CE 1 1
12 3011 1 1 3 LYS CG C 1.866 -3.167 3.706 1.00 . A A . 4 LYS CG 1 1
12 3012 1 1 3 LYS H H 3.360 -0.062 1.240 1.00 . A A . 4 LYS H 1 1
12 3013 1 1 3 LYS HA H 2.735 -2.938 1.070 1.00 . A A . 4 LYS HA 1 1
12 3014 1 1 3 LYS HB2 H 3.763 -2.352 3.228 1.00 . A A . 4 LYS HB2 1 1
12 3015 1 1 3 LYS HB3 H 2.516 -1.153 3.504 1.00 . A A . 4 LYS HB3 1 1
12 3016 1 1 3 LYS HD2 H 1.298 -5.207 3.461 1.00 . A A . 4 LYS HD2 1 1
12 3017 1 1 3 LYS HD3 H 1.807 -4.408 1.972 1.00 . A A . 4 LYS HD3 1 1
12 3018 1 1 3 LYS HE2 H 3.540 -5.907 2.493 1.00 . A A . 4 LYS HE2 1 1
12 3019 1 1 3 LYS HE3 H 4.133 -4.325 2.994 1.00 . A A . 4 LYS HE3 1 1
12 3020 1 1 3 LYS HG2 H 2.158 -3.262 4.742 1.00 . A A . 4 LYS HG2 1 1
12 3021 1 1 3 LYS HG3 H 0.833 -2.856 3.652 1.00 . A A . 4 LYS HG3 1 1
12 3022 1 1 3 LYS HZ1 H 3.044 -6.467 4.735 1.00 . A A . 4 LYS HZ1 1 1
12 3023 1 1 3 LYS HZ2 H 3.371 -4.899 5.281 1.00 . A A . 4 LYS HZ2 1 1
12 3024 1 1 3 LYS HZ3 H 4.636 -5.874 4.704 1.00 . A A . 4 LYS HZ3 1 1
12 3025 1 1 3 LYS N N 3.399 -0.994 0.932 1.00 . A A . 4 LYS N 1 1
12 3026 1 1 3 LYS NZ N 3.630 -5.621 4.572 1.00 . A A . 4 LYS NZ 1 1
12 3027 1 1 3 LYS O O 0.552 -0.648 1.779 1.00 . A A . 4 LYS O 1 1
12 3028 1 1 4 ASN C C -1.794 -3.330 0.646 1.00 . A A . 5 ASN C 1 1
12 3029 1 1 4 ASN CA C -0.950 -2.183 0.082 1.00 . A A . 5 ASN CA 1 1
12 3030 1 1 4 ASN CB C -1.111 -2.081 -1.439 1.00 . A A . 5 ASN CB 1 1
12 3031 1 1 4 ASN CG C -0.259 -0.970 -2.036 1.00 . A A . 5 ASN CG 1 1
12 3032 1 1 4 ASN H H 0.910 -3.180 0.003 1.00 . A A . 5 ASN H 1 1
12 3033 1 1 4 ASN HA H -1.240 -1.246 0.529 1.00 . A A . 5 ASN HA 1 1
12 3034 1 1 4 ASN HB2 H -0.817 -3.018 -1.888 1.00 . A A . 5 ASN HB2 1 1
12 3035 1 1 4 ASN HB3 H -2.146 -1.882 -1.675 1.00 . A A . 5 ASN HB3 1 1
12 3036 1 1 4 ASN HD21 H 0.028 -2.040 -3.683 1.00 . A A . 5 ASN HD21 1 1
12 3037 1 1 4 ASN HD22 H 0.788 -0.490 -3.649 1.00 . A A . 5 ASN HD22 1 1
12 3038 1 1 4 ASN N N 0.438 -2.418 0.408 1.00 . A A . 5 ASN N 1 1
12 3039 1 1 4 ASN ND2 N 0.233 -1.188 -3.244 1.00 . A A . 5 ASN ND2 1 1
12 3040 1 1 4 ASN O O -1.708 -4.460 0.162 1.00 . A A . 5 ASN O 1 1
12 3041 1 1 4 ASN OD1 O -0.024 0.065 -1.408 1.00 . A A . 5 ASN OD1 1 1
12 3042 1 1 5 . C C -4.503 -4.602 1.489 1.00 . A A . 6 O6H C 1 1
12 3043 1 1 5 . CA C -3.364 -4.088 2.356 1.00 . A A . 6 O6H CA 1 1
12 3044 1 1 5 . CB C -3.884 -3.594 3.710 1.00 . A A . 6 O6H CB 1 1
12 3045 1 1 5 . CD1 C -1.855 -3.966 5.180 1.00 . A A . 6 O6H CD1 1 1
12 3046 1 1 5 . CD2 C -2.680 -1.747 4.929 1.00 . A A . 6 O6H CD2 1 1
12 3047 1 1 5 . CE1 C -0.846 -3.501 6.006 1.00 . A A . 6 O6H CE1 1 1
12 3048 1 1 5 . CE2 C -1.685 -1.271 5.753 1.00 . A A . 6 O6H CE2 1 1
12 3049 1 1 5 . CF1 C -1.926 -5.436 4.886 1.00 . A A . 6 O6H CF1 1 1
12 3050 1 1 5 . CF2 C -3.666 -0.781 4.360 1.00 . A A . 6 O6H CF2 1 1
12 3051 1 1 5 . CG C -2.791 -3.096 4.624 1.00 . A A . 6 O6H CG 1 1
12 3052 1 1 5 . CH C 0.317 -1.633 7.174 1.00 . A A . 6 O6H CH 1 1
12 3053 1 1 5 . CZ C -0.771 -2.150 6.286 1.00 . A A . 6 O6H CZ 1 1
12 3054 1 1 5 . H1 H -2.648 -2.139 2.021 1.00 . A A . 6 O6H H1 1 1
12 3055 1 1 5 . HA H -2.689 -4.914 2.537 1.00 . A A . 6 O6H HA 1 1
12 3056 1 1 5 . HB1 H -4.396 -4.404 4.211 1.00 . A A . 6 O6H HB1 1 1
12 3057 1 1 5 . HB2 H -4.578 -2.783 3.548 1.00 . A A . 6 O6H HB2 1 1
12 3058 1 1 5 . HE1 H -0.127 -4.187 6.428 1.00 . A A . 6 O6H HE1 1 1
12 3059 1 1 5 . HE2 H -1.619 -0.217 5.975 1.00 . A A . 6 O6H HE2 1 1
12 3060 1 1 5 . HF11 H -2.750 -5.706 4.241 1.00 . A A . 6 O6H HF11 1 1
12 3061 1 1 5 . HF12 H -2.048 -6.046 5.771 1.00 . A A . 6 O6H HF12 1 1
12 3062 1 1 5 . HF13 H -1.044 -5.818 4.398 1.00 . A A . 6 O6H HF13 1 1
12 3063 1 1 5 . HF21 H -4.473 -0.549 5.037 1.00 . A A . 6 O6H HF21 1 1
12 3064 1 1 5 . HF22 H -3.229 0.172 4.096 1.00 . A A . 6 O6H HF22 1 1
12 3065 1 1 5 . HF23 H -4.141 -1.136 3.457 1.00 . A A . 6 O6H HF23 1 1
12 3066 1 1 5 . HH1 H -0.027 -0.901 7.888 1.00 . A A . 6 O6H HH1 1 1
12 3067 1 1 5 . HH2 H 1.115 -1.150 6.632 1.00 . A A . 6 O6H HH2 1 1
12 3068 1 1 5 . HH3 H 0.795 -2.404 7.761 1.00 . A A . 6 O6H HH3 1 1
12 3069 1 1 5 . N N -2.588 -3.054 1.684 1.00 . A A . 6 O6H N 1 1
12 3070 1 1 5 . O O -4.800 -5.794 1.479 1.00 . A A . 6 O6H O 1 1
12 3071 1 1 6 PHE C C -6.139 -4.054 -1.437 1.00 . A A . 7 PHE C 1 1
12 3072 1 1 6 PHE CA C -6.376 -4.038 0.063 1.00 . A A . 7 PHE CA 1 1
12 3073 1 1 6 PHE CB C -7.491 -3.038 0.385 1.00 . A A . 7 PHE CB 1 1
12 3074 1 1 6 PHE CD1 C -7.626 -3.327 2.883 1.00 . A A . 7 PHE CD1 1 1
12 3075 1 1 6 PHE CD2 C -7.219 -1.147 2.008 1.00 . A A . 7 PHE CD2 1 1
12 3076 1 1 6 PHE CE1 C -7.577 -2.820 4.169 1.00 . A A . 7 PHE CE1 1 1
12 3077 1 1 6 PHE CE2 C -7.170 -0.636 3.289 1.00 . A A . 7 PHE CE2 1 1
12 3078 1 1 6 PHE CG C -7.446 -2.496 1.788 1.00 . A A . 7 PHE CG 1 1
12 3079 1 1 6 PHE CZ C -7.350 -1.473 4.372 1.00 . A A . 7 PHE CZ 1 1
12 3080 1 1 6 PHE H H -4.806 -2.783 0.725 1.00 . A A . 7 PHE H 1 1
12 3081 1 1 6 PHE HA H -6.682 -5.023 0.380 1.00 . A A . 7 PHE HA 1 1
12 3082 1 1 6 PHE HB2 H -7.419 -2.202 -0.293 1.00 . A A . 7 PHE HB2 1 1
12 3083 1 1 6 PHE HB3 H -8.447 -3.524 0.246 1.00 . A A . 7 PHE HB3 1 1
12 3084 1 1 6 PHE HD1 H -7.802 -4.382 2.727 1.00 . A A . 7 PHE HD1 1 1
12 3085 1 1 6 PHE HD2 H -7.077 -0.489 1.164 1.00 . A A . 7 PHE HD2 1 1
12 3086 1 1 6 PHE HE1 H -7.718 -3.478 5.015 1.00 . A A . 7 PHE HE1 1 1
12 3087 1 1 6 PHE HE2 H -6.990 0.419 3.442 1.00 . A A . 7 PHE HE2 1 1
12 3088 1 1 6 PHE HZ H -7.311 -1.076 5.376 1.00 . A A . 7 PHE HZ 1 1
12 3089 1 1 6 PHE N N -5.153 -3.696 0.773 1.00 . A A . 7 PHE N 1 1
12 3090 1 1 6 PHE O O -6.929 -4.618 -2.189 1.00 . A A . 7 PHE O 1 1
12 3091 1 1 7 DTR C C -4.607 -1.980 -3.826 1.00 . A A . 8 DTR C 1 1
12 3092 1 1 7 DTR CA C -4.713 -3.401 -3.274 1.00 . A A . 8 DTR CA 1 1
12 3093 1 1 7 DTR CB C -3.384 -4.136 -3.475 1.00 . A A . 8 DTR CB 1 1
12 3094 1 1 7 DTR CD1 C -3.324 -5.364 -5.720 1.00 . A A . 8 DTR CD1 1 1
12 3095 1 1 7 DTR CD2 C -2.250 -3.402 -5.736 1.00 . A A . 8 DTR CD2 1 1
12 3096 1 1 7 DTR CE2 C -2.154 -3.976 -7.015 1.00 . A A . 8 DTR CE2 1 1
12 3097 1 1 7 DTR CE3 C -1.649 -2.164 -5.512 1.00 . A A . 8 DTR CE3 1 1
12 3098 1 1 7 DTR CG C -3.008 -4.308 -4.919 1.00 . A A . 8 DTR CG 1 1
12 3099 1 1 7 DTR CH2 C -0.902 -2.143 -7.814 1.00 . A A . 8 DTR CH2 1 1
12 3100 1 1 7 DTR CZ2 C -1.481 -3.353 -8.064 1.00 . A A . 8 DTR CZ2 1 1
12 3101 1 1 7 DTR CZ3 C -0.980 -1.548 -6.551 1.00 . A A . 8 DTR CZ3 1 1
12 3102 1 1 7 DTR H H -4.524 -2.904 -1.236 1.00 . A A . 8 DTR H 1 1
12 3103 1 1 7 DTR HA H -5.454 -3.969 -3.819 1.00 . A A . 8 DTR HA 1 1
12 3104 1 1 7 DTR HB2 H -2.597 -3.579 -2.987 1.00 . A A . 8 DTR HB2 1 1
12 3105 1 1 7 DTR HB3 H -3.456 -5.115 -3.027 1.00 . A A . 8 DTR HB3 1 1
12 3106 1 1 7 DTR HD1 H -3.894 -6.222 -5.395 1.00 . A A . 8 DTR HD1 1 1
12 3107 1 1 7 DTR HE1 H -2.912 -5.797 -7.737 1.00 . A A . 8 DTR HE1 1 1
12 3108 1 1 7 DTR HE3 H -1.697 -1.688 -4.543 1.00 . A A . 8 DTR HE3 1 1
12 3109 1 1 7 DTR HH2 H -0.368 -1.625 -8.598 1.00 . A A . 8 DTR HH2 1 1
12 3110 1 1 7 DTR HZ2 H -1.418 -3.794 -9.046 1.00 . A A . 8 DTR HZ2 1 1
12 3111 1 1 7 DTR HZ3 H -0.509 -0.591 -6.393 1.00 . A A . 8 DTR HZ3 1 1
12 3112 1 1 7 DTR N N -5.076 -3.397 -1.872 1.00 . A A . 8 DTR N 1 1
12 3113 1 1 7 DTR NE1 N -2.816 -5.171 -6.980 1.00 . A A . 8 DTR NE1 1 1
12 3114 1 1 7 DTR O O -3.824 -1.181 -3.315 1.00 . A A . 8 DTR O 1 1
12 3115 1 1 8 LYS C C -6.052 0.721 -4.901 1.00 . A A . 9 LYS C 1 1
12 3116 1 1 8 LYS CA C -5.242 -0.394 -5.555 1.00 . A A . 9 LYS CA 1 1
12 3117 1 1 8 LYS CB C -5.670 -0.583 -7.011 1.00 . A A . 9 LYS CB 1 1
12 3118 1 1 8 LYS CD C -5.648 -2.064 -9.050 1.00 . A A . 9 LYS CD 1 1
12 3119 1 1 8 LYS CE C -5.075 -3.326 -9.675 1.00 . A A . 9 LYS CE 1 1
12 3120 1 1 8 LYS CG C -5.070 -1.819 -7.664 1.00 . A A . 9 LYS CG 1 1
12 3121 1 1 8 LYS H H -6.153 -2.244 -5.088 1.00 . A A . 9 LYS H 1 1
12 3122 1 1 8 LYS HA H -4.194 -0.132 -5.524 1.00 . A A . 9 LYS HA 1 1
12 3123 1 1 8 LYS HB2 H -6.746 -0.665 -7.053 1.00 . A A . 9 LYS HB2 1 1
12 3124 1 1 8 LYS HB3 H -5.358 0.281 -7.579 1.00 . A A . 9 LYS HB3 1 1
12 3125 1 1 8 LYS HD2 H -6.721 -2.170 -8.971 1.00 . A A . 9 LYS HD2 1 1
12 3126 1 1 8 LYS HD3 H -5.414 -1.221 -9.683 1.00 . A A . 9 LYS HD3 1 1
12 3127 1 1 8 LYS HE2 H -4.011 -3.196 -9.802 1.00 . A A . 9 LYS HE2 1 1
12 3128 1 1 8 LYS HE3 H -5.259 -4.156 -9.009 1.00 . A A . 9 LYS HE3 1 1
12 3129 1 1 8 LYS HG2 H -4.003 -1.682 -7.751 1.00 . A A . 9 LYS HG2 1 1
12 3130 1 1 8 LYS HG3 H -5.274 -2.680 -7.042 1.00 . A A . 9 LYS HG3 1 1
12 3131 1 1 8 LYS HZ1 H -5.240 -4.461 -11.424 1.00 . A A . 9 LYS HZ1 1 1
12 3132 1 1 8 LYS HZ2 H -5.558 -2.811 -11.644 1.00 . A A . 9 LYS HZ2 1 1
12 3133 1 1 8 LYS HZ3 H -6.707 -3.804 -10.890 1.00 . A A . 9 LYS HZ3 1 1
12 3134 1 1 8 LYS N N -5.412 -1.645 -4.831 1.00 . A A . 9 LYS N 1 1
12 3135 1 1 8 LYS NZ N -5.686 -3.622 -11.000 1.00 . A A . 9 LYS NZ 1 1
12 3136 1 1 8 LYS O O -5.969 1.889 -5.296 1.00 . A A . 9 LYS O 1 1
12 3137 1 1 9 THR C C -6.773 2.055 -2.114 1.00 . A A . 10 THR C 1 1
12 3138 1 1 9 THR CA C -7.627 1.308 -3.146 1.00 . A A . 10 THR CA 1 1
12 3139 1 1 9 THR CB C -8.783 0.594 -2.422 1.00 . A A . 10 THR CB 1 1
12 3140 1 1 9 THR CG2 C -9.831 1.590 -1.947 1.00 . A A . 10 THR CG2 1 1
12 3141 1 1 9 THR H H -6.892 -0.600 -3.666 1.00 . A A . 10 THR H 1 1
12 3142 1 1 9 THR HA H -8.047 2.017 -3.843 1.00 . A A . 10 THR HA 1 1
12 3143 1 1 9 THR HB H -8.384 0.077 -1.562 1.00 . A A . 10 THR HB 1 1
12 3144 1 1 9 THR HG1 H -10.032 0.089 -3.878 1.00 . A A . 10 THR HG1 1 1
12 3145 1 1 9 THR HG21 H -10.630 1.062 -1.448 1.00 . A A . 10 THR HG21 1 1
12 3146 1 1 9 THR HG22 H -10.229 2.126 -2.796 1.00 . A A . 10 THR HG22 1 1
12 3147 1 1 9 THR HG23 H -9.376 2.289 -1.261 1.00 . A A . 10 THR HG23 1 1
12 3148 1 1 9 THR N N -6.828 0.351 -3.892 1.00 . A A . 10 THR N 1 1
12 3149 1 1 9 THR O O -7.069 3.194 -1.755 1.00 . A A . 10 THR O 1 1
12 3150 1 1 9 THR OG1 O -9.393 -0.363 -3.301 1.00 . A A . 10 THR OG1 1 1
12 3151 1 1 10 PHE C C -3.361 1.922 -1.125 1.00 . A A . 11 PHE C 1 1
12 3152 1 1 10 PHE CA C -4.834 2.013 -0.647 1.00 . A A . 11 PHE CA 1 1
12 3153 1 1 10 PHE CB C -4.985 1.255 0.675 1.00 . A A . 11 PHE CB 1 1
12 3154 1 1 10 PHE CD1 C -4.992 2.800 2.652 1.00 . A A . 11 PHE CD1 1 1
12 3155 1 1 10 PHE CD2 C -2.966 1.661 2.116 1.00 . A A . 11 PHE CD2 1 1
12 3156 1 1 10 PHE CE1 C -4.370 3.411 3.724 1.00 . A A . 11 PHE CE1 1 1
12 3157 1 1 10 PHE CE2 C -2.338 2.271 3.186 1.00 . A A . 11 PHE CE2 1 1
12 3158 1 1 10 PHE CG C -4.299 1.919 1.837 1.00 . A A . 11 PHE CG 1 1
12 3159 1 1 10 PHE CZ C -3.041 3.147 3.991 1.00 . A A . 11 PHE CZ 1 1
12 3160 1 1 10 PHE H H -5.476 0.534 -2.009 1.00 . A A . 11 PHE H 1 1
12 3161 1 1 10 PHE HA H -5.159 3.031 -0.501 1.00 . A A . 11 PHE HA 1 1
12 3162 1 1 10 PHE HB2 H -6.035 1.170 0.912 1.00 . A A . 11 PHE HB2 1 1
12 3163 1 1 10 PHE HB3 H -4.566 0.264 0.562 1.00 . A A . 11 PHE HB3 1 1
12 3164 1 1 10 PHE HD1 H -6.032 3.008 2.446 1.00 . A A . 11 PHE HD1 1 1
12 3165 1 1 10 PHE HD2 H -2.417 0.976 1.485 1.00 . A A . 11 PHE HD2 1 1
12 3166 1 1 10 PHE HE1 H -4.922 4.097 4.350 1.00 . A A . 11 PHE HE1 1 1
12 3167 1 1 10 PHE HE2 H -1.299 2.063 3.390 1.00 . A A . 11 PHE HE2 1 1
12 3168 1 1 10 PHE HZ H -2.554 3.624 4.830 1.00 . A A . 11 PHE HZ 1 1
12 3169 1 1 10 PHE N N -5.702 1.417 -1.653 1.00 . A A . 11 PHE N 1 1
12 3170 1 1 10 PHE O O -2.891 0.810 -1.353 1.00 . A A . 11 PHE O 1 1
12 3171 1 1 11 THR C C -0.289 3.728 -0.918 1.00 . A A . 12 THR C 1 1
12 3172 1 1 11 THR CA C -1.254 2.929 -1.795 1.00 . A A . 12 THR CA 1 1
12 3173 1 1 11 THR CB C -1.166 3.416 -3.256 1.00 . A A . 12 THR CB 1 1
12 3174 1 1 11 THR CG2 C 0.245 3.258 -3.808 1.00 . A A . 12 THR CG2 1 1
12 3175 1 1 11 THR H H -2.971 3.931 -1.104 1.00 . A A . 12 THR H 1 1
12 3176 1 1 11 THR HA H -0.973 1.886 -1.768 1.00 . A A . 12 THR HA 1 1
12 3177 1 1 11 THR HB H -1.436 4.462 -3.289 1.00 . A A . 12 THR HB 1 1
12 3178 1 1 11 THR HG1 H -2.295 1.835 -3.619 1.00 . A A . 12 THR HG1 1 1
12 3179 1 1 11 THR HG21 H 0.931 3.849 -3.217 1.00 . A A . 12 THR HG21 1 1
12 3180 1 1 11 THR HG22 H 0.269 3.597 -4.832 1.00 . A A . 12 THR HG22 1 1
12 3181 1 1 11 THR HG23 H 0.535 2.219 -3.764 1.00 . A A . 12 THR HG23 1 1
12 3182 1 1 11 THR N N -2.619 3.034 -1.305 1.00 . A A . 12 THR N 1 1
12 3183 1 1 11 THR O O -0.360 4.955 -0.861 1.00 . A A . 12 THR O 1 1
12 3184 1 1 11 THR OG1 O -2.088 2.667 -4.066 1.00 . A A . 12 THR OG1 1 1
12 3185 1 1 12 SER C C 3.006 3.205 0.252 1.00 . A A . 13 SER C 1 1
12 3186 1 1 12 SER CA C 1.597 3.685 0.609 1.00 . A A . 13 SER CA 1 1
12 3187 1 1 12 SER CB C 1.320 3.423 2.090 1.00 . A A . 13 SER CB 1 1
12 3188 1 1 12 SER H H 0.577 2.046 -0.265 1.00 . A A . 13 SER H 1 1
12 3189 1 1 12 SER HA H 1.526 4.746 0.427 1.00 . A A . 13 SER HA 1 1
12 3190 1 1 12 SER HB2 H 1.279 2.359 2.261 1.00 . A A . 13 SER HB2 1 1
12 3191 1 1 12 SER HB3 H 2.113 3.853 2.684 1.00 . A A . 13 SER HB3 1 1
12 3192 1 1 12 SER HG H -0.403 4.264 1.703 1.00 . A A . 13 SER HG 1 1
12 3193 1 1 12 SER N N 0.596 3.029 -0.221 1.00 . A A . 13 SER N 1 1
12 3194 1 1 12 SER O O 3.352 2.049 0.501 1.00 . A A . 13 SER O 1 1
12 3195 1 1 12 SER OG O 0.088 3.997 2.487 1.00 . A A . 13 SER OG 1 1
12 3196 1 1 13 CYS C C 6.141 4.632 0.102 1.00 . A A . 14 CYS C 1 1
12 3197 1 1 13 CYS CA C 5.182 3.751 -0.685 1.00 . A A . 14 CYS CA 1 1
12 3198 1 1 13 CYS CB C 5.424 3.924 -2.185 1.00 . A A . 14 CYS CB 1 1
12 3199 1 1 13 CYS H H 3.461 4.975 -0.579 1.00 . A A . 14 CYS H 1 1
12 3200 1 1 13 CYS HA H 5.354 2.719 -0.414 1.00 . A A . 14 CYS HA 1 1
12 3201 1 1 13 CYS HB2 H 5.162 4.933 -2.468 1.00 . A A . 14 CYS HB2 1 1
12 3202 1 1 13 CYS HB3 H 6.470 3.757 -2.396 1.00 . A A . 14 CYS HB3 1 1
12 3203 1 1 13 CYS N N 3.805 4.080 -0.350 1.00 . A A . 14 CYS N 1 1
12 3204 1 1 13 CYS O O 6.221 5.842 -0.131 1.00 . A A . 14 CYS O 1 1
12 3205 1 1 13 CYS SG S 4.457 2.791 -3.234 1.00 . A A . 14 CYS SG 1 1
12 3206 1 1 14 LYS C C 8.602 3.784 2.744 1.00 . A A . 15 LYS C 1 1
12 3207 1 1 14 LYS CA C 7.780 4.754 1.901 1.00 . A A . 15 LYS CA 1 1
12 3208 1 1 14 LYS CB C 7.032 5.763 2.784 1.00 . A A . 15 LYS CB 1 1
12 3209 1 1 14 LYS CD C 4.938 6.304 4.092 1.00 . A A . 15 LYS CD 1 1
12 3210 1 1 14 LYS CE C 4.115 7.058 3.049 1.00 . A A . 15 LYS CE 1 1
12 3211 1 1 14 LYS CG C 5.795 5.203 3.475 1.00 . A A . 15 LYS CG 1 1
12 3212 1 1 14 LYS H H 6.740 3.058 1.186 1.00 . A A . 15 LYS H 1 1
12 3213 1 1 14 LYS HA H 8.451 5.295 1.252 1.00 . A A . 15 LYS HA 1 1
12 3214 1 1 14 LYS HB2 H 7.708 6.119 3.546 1.00 . A A . 15 LYS HB2 1 1
12 3215 1 1 14 LYS HB3 H 6.726 6.598 2.170 1.00 . A A . 15 LYS HB3 1 1
12 3216 1 1 14 LYS HD2 H 4.263 5.861 4.809 1.00 . A A . 15 LYS HD2 1 1
12 3217 1 1 14 LYS HD3 H 5.587 7.005 4.598 1.00 . A A . 15 LYS HD3 1 1
12 3218 1 1 14 LYS HE2 H 3.540 6.342 2.482 1.00 . A A . 15 LYS HE2 1 1
12 3219 1 1 14 LYS HE3 H 3.440 7.727 3.564 1.00 . A A . 15 LYS HE3 1 1
12 3220 1 1 14 LYS HG2 H 5.201 4.668 2.747 1.00 . A A . 15 LYS HG2 1 1
12 3221 1 1 14 LYS HG3 H 6.108 4.524 4.254 1.00 . A A . 15 LYS HG3 1 1
12 3222 1 1 14 LYS HZ1 H 5.571 8.505 2.641 1.00 . A A . 15 LYS HZ1 1 1
12 3223 1 1 14 LYS HZ2 H 4.349 8.409 1.468 1.00 . A A . 15 LYS HZ2 1 1
12 3224 1 1 14 LYS HZ3 H 5.552 7.219 1.540 1.00 . A A . 15 LYS HZ3 1 1
12 3225 1 1 14 LYS N N 6.846 4.030 1.052 1.00 . A A . 15 LYS N 1 1
12 3226 1 1 14 LYS NZ N 4.956 7.851 2.108 1.00 . A A . 15 LYS NZ 1 1
12 3227 1 1 14 LYS O O 9.733 3.458 2.331 1.00 . A A . 15 LYS O 1 1
12 3228 1 1 14 LYS OXT O 8.114 3.333 3.796 1.00 . A A . 15 LYS OXT 1 1
12 3229 2 2 1 . C1 C 9.197 -2.388 -0.758 1.00 . B A . 101 OCA C1 1 1
12 3230 2 2 1 . C2 C 9.229 -2.615 0.750 1.00 . B A . 101 OCA C2 1 1
12 3231 2 2 1 . C3 C 7.856 -2.882 1.356 1.00 . B A . 101 OCA C3 1 1
12 3232 2 2 1 . C4 C 7.956 -3.201 2.840 1.00 . B A . 101 OCA C4 1 1
12 3233 2 2 1 . C5 C 7.420 -2.064 3.692 1.00 . B A . 101 OCA C5 1 1
12 3234 2 2 1 . C6 C 6.015 -2.359 4.197 1.00 . B A . 101 OCA C6 1 1
12 3235 2 2 1 . C7 C 5.798 -1.839 5.613 1.00 . B A . 101 OCA C7 1 1
12 3236 2 2 1 . C8 C 6.675 -2.544 6.622 1.00 . B A . 101 OCA C8 1 1
12 3237 2 2 1 . H21 H 9.863 -3.464 0.956 1.00 . B A . 101 OCA H21 1 1
12 3238 2 2 1 . H22 H 9.645 -1.735 1.219 1.00 . B A . 101 OCA H22 1 1
12 3239 2 2 1 . H31 H 7.237 -2.006 1.226 1.00 . B A . 101 OCA H31 1 1
12 3240 2 2 1 . H32 H 7.406 -3.723 0.848 1.00 . B A . 101 OCA H32 1 1
12 3241 2 2 1 . H41 H 7.383 -4.092 3.048 1.00 . B A . 101 OCA H41 1 1
12 3242 2 2 1 . H42 H 8.992 -3.371 3.094 1.00 . B A . 101 OCA H42 1 1
12 3243 2 2 1 . H51 H 8.076 -1.922 4.538 1.00 . B A . 101 OCA H51 1 1
12 3244 2 2 1 . H52 H 7.396 -1.163 3.096 1.00 . B A . 101 OCA H52 1 1
12 3245 2 2 1 . H61 H 5.302 -1.885 3.540 1.00 . B A . 101 OCA H61 1 1
12 3246 2 2 1 . H62 H 5.858 -3.428 4.189 1.00 . B A . 101 OCA H62 1 1
12 3247 2 2 1 . H71 H 6.030 -0.785 5.640 1.00 . B A . 101 OCA H71 1 1
12 3248 2 2 1 . H72 H 4.767 -1.992 5.893 1.00 . B A . 101 OCA H72 1 1
12 3249 2 2 1 . H81 H 6.234 -2.457 7.604 1.00 . B A . 101 OCA H81 1 1
12 3250 2 2 1 . H82 H 7.656 -2.089 6.625 1.00 . B A . 101 OCA H82 1 1
12 3251 2 2 1 . H83 H 6.762 -3.586 6.357 1.00 . B A . 101 OCA H83 1 1
12 3252 2 2 1 . O1 O 9.258 -3.292 -1.596 1.00 . B A . 101 OCA O1 1 1
13 3253 1 1 1 PRO C C 7.153 -0.311 0.782 1.00 . A A . 2 PRO C 1 1
13 3254 1 1 1 PRO CA C 8.671 -0.574 0.717 1.00 . A A . 2 PRO CA 1 1
13 3255 1 1 1 PRO CB C 8.969 -2.051 1.009 1.00 . A A . 2 PRO CB 1 1
13 3256 1 1 1 PRO CD C 9.492 -0.711 2.969 1.00 . A A . 2 PRO CD 1 1
13 3257 1 1 1 PRO CG C 9.522 -2.108 2.405 1.00 . A A . 2 PRO CG 1 1
13 3258 1 1 1 PRO HA H 9.065 -0.301 -0.254 1.00 . A A . 2 PRO HA 1 1
13 3259 1 1 1 PRO HB2 H 8.055 -2.622 0.931 1.00 . A A . 2 PRO HB2 1 1
13 3260 1 1 1 PRO HB3 H 9.687 -2.420 0.289 1.00 . A A . 2 PRO HB3 1 1
13 3261 1 1 1 PRO HD2 H 8.629 -0.577 3.603 1.00 . A A . 2 PRO HD2 1 1
13 3262 1 1 1 PRO HD3 H 10.401 -0.500 3.513 1.00 . A A . 2 PRO HD3 1 1
13 3263 1 1 1 PRO HG2 H 8.911 -2.761 3.007 1.00 . A A . 2 PRO HG2 1 1
13 3264 1 1 1 PRO HG3 H 10.538 -2.476 2.376 1.00 . A A . 2 PRO HG3 1 1
13 3265 1 1 1 PRO N N 9.394 0.126 1.776 1.00 . A A . 2 PRO N 1 1
13 3266 1 1 1 PRO O O 6.668 0.270 1.753 1.00 . A A . 2 PRO O 1 1
13 3267 1 1 2 CYS C C 4.113 -1.646 -0.016 1.00 . A A . 3 CYS C 1 1
13 3268 1 1 2 CYS CA C 4.987 -0.431 -0.310 1.00 . A A . 3 CYS CA 1 1
13 3269 1 1 2 CYS CB C 4.685 0.113 -1.709 1.00 . A A . 3 CYS CB 1 1
13 3270 1 1 2 CYS H H 6.781 -1.367 -0.898 1.00 . A A . 3 CYS H 1 1
13 3271 1 1 2 CYS HA H 4.784 0.340 0.418 1.00 . A A . 3 CYS HA 1 1
13 3272 1 1 2 CYS HB2 H 4.791 -0.686 -2.429 1.00 . A A . 3 CYS HB2 1 1
13 3273 1 1 2 CYS HB3 H 3.671 0.482 -1.734 1.00 . A A . 3 CYS HB3 1 1
13 3274 1 1 2 CYS N N 6.395 -0.773 -0.216 1.00 . A A . 3 CYS N 1 1
13 3275 1 1 2 CYS O O 4.239 -2.683 -0.667 1.00 . A A . 3 CYS O 1 1
13 3276 1 1 2 CYS SG S 5.787 1.473 -2.225 1.00 . A A . 3 CYS SG 1 1
13 3277 1 1 3 LYS C C 0.901 -2.222 0.917 1.00 . A A . 4 LYS C 1 1
13 3278 1 1 3 LYS CA C 2.313 -2.594 1.322 1.00 . A A . 4 LYS CA 1 1
13 3279 1 1 3 LYS CB C 2.324 -2.880 2.835 1.00 . A A . 4 LYS CB 1 1
13 3280 1 1 3 LYS CD C 4.542 -2.076 3.735 1.00 . A A . 4 LYS CD 1 1
13 3281 1 1 3 LYS CE C 5.246 -1.082 4.647 1.00 . A A . 4 LYS CE 1 1
13 3282 1 1 3 LYS CG C 3.039 -1.834 3.688 1.00 . A A . 4 LYS CG 1 1
13 3283 1 1 3 LYS H H 3.181 -0.674 1.461 1.00 . A A . 4 LYS H 1 1
13 3284 1 1 3 LYS HA H 2.612 -3.482 0.786 1.00 . A A . 4 LYS HA 1 1
13 3285 1 1 3 LYS HB2 H 1.301 -2.937 3.176 1.00 . A A . 4 LYS HB2 1 1
13 3286 1 1 3 LYS HB3 H 2.794 -3.835 3.007 1.00 . A A . 4 LYS HB3 1 1
13 3287 1 1 3 LYS HD2 H 4.725 -3.075 4.102 1.00 . A A . 4 LYS HD2 1 1
13 3288 1 1 3 LYS HD3 H 4.941 -1.979 2.736 1.00 . A A . 4 LYS HD3 1 1
13 3289 1 1 3 LYS HE2 H 6.300 -1.320 4.667 1.00 . A A . 4 LYS HE2 1 1
13 3290 1 1 3 LYS HE3 H 5.111 -0.087 4.246 1.00 . A A . 4 LYS HE3 1 1
13 3291 1 1 3 LYS HG2 H 2.857 -0.857 3.264 1.00 . A A . 4 LYS HG2 1 1
13 3292 1 1 3 LYS HG3 H 2.643 -1.871 4.694 1.00 . A A . 4 LYS HG3 1 1
13 3293 1 1 3 LYS HZ1 H 5.354 -0.604 6.678 1.00 . A A . 4 LYS HZ1 1 1
13 3294 1 1 3 LYS HZ2 H 4.637 -2.111 6.366 1.00 . A A . 4 LYS HZ2 1 1
13 3295 1 1 3 LYS HZ3 H 3.773 -0.679 6.076 1.00 . A A . 4 LYS HZ3 1 1
13 3296 1 1 3 LYS N N 3.227 -1.516 0.965 1.00 . A A . 4 LYS N 1 1
13 3297 1 1 3 LYS NZ N 4.717 -1.122 6.036 1.00 . A A . 4 LYS NZ 1 1
13 3298 1 1 3 LYS O O 0.392 -1.177 1.319 1.00 . A A . 4 LYS O 1 1
13 3299 1 1 4 ASN C C -1.962 -3.923 0.468 1.00 . A A . 5 ASN C 1 1
13 3300 1 1 4 ASN CA C -1.130 -2.836 -0.216 1.00 . A A . 5 ASN CA 1 1
13 3301 1 1 4 ASN CB C -1.340 -2.906 -1.738 1.00 . A A . 5 ASN CB 1 1
13 3302 1 1 4 ASN CG C -0.697 -1.758 -2.512 1.00 . A A . 5 ASN CG 1 1
13 3303 1 1 4 ASN H H 0.741 -3.831 -0.263 1.00 . A A . 5 ASN H 1 1
13 3304 1 1 4 ASN HA H -1.413 -1.857 0.141 1.00 . A A . 5 ASN HA 1 1
13 3305 1 1 4 ASN HB2 H -0.921 -3.829 -2.105 1.00 . A A . 5 ASN HB2 1 1
13 3306 1 1 4 ASN HB3 H -2.402 -2.897 -1.943 1.00 . A A . 5 ASN HB3 1 1
13 3307 1 1 4 ASN HD21 H 0.619 -1.440 -1.063 1.00 . A A . 5 ASN HD21 1 1
13 3308 1 1 4 ASN HD22 H 0.747 -0.405 -2.438 1.00 . A A . 5 ASN HD22 1 1
13 3309 1 1 4 ASN N N 0.269 -3.057 0.111 1.00 . A A . 5 ASN N 1 1
13 3310 1 1 4 ASN ND2 N 0.326 -1.137 -1.948 1.00 . A A . 5 ASN ND2 1 1
13 3311 1 1 4 ASN O O -1.896 -5.090 0.081 1.00 . A A . 5 ASN O 1 1
13 3312 1 1 4 ASN OD1 O -1.126 -1.425 -3.615 1.00 . A A . 5 ASN OD1 1 1
13 3313 1 1 5 . C C -4.747 -4.975 1.380 1.00 . A A . 6 O6H C 1 1
13 3314 1 1 5 . CA C -3.558 -4.510 2.210 1.00 . A A . 6 O6H CA 1 1
13 3315 1 1 5 . CB C -4.024 -3.938 3.550 1.00 . A A . 6 O6H CB 1 1
13 3316 1 1 5 . CD1 C -2.331 -4.656 5.285 1.00 . A A . 6 O6H CD1 1 1
13 3317 1 1 5 . CD2 C -2.370 -2.364 4.631 1.00 . A A . 6 O6H CD2 1 1
13 3318 1 1 5 . CE1 C -1.288 -4.393 6.155 1.00 . A A . 6 O6H CE1 1 1
13 3319 1 1 5 . CE2 C -1.333 -2.091 5.496 1.00 . A A . 6 O6H CE2 1 1
13 3320 1 1 5 . CF1 C -2.864 -6.060 5.189 1.00 . A A . 6 O6H CF1 1 1
13 3321 1 1 5 . CF2 C -2.944 -1.246 3.816 1.00 . A A . 6 O6H CF2 1 1
13 3322 1 1 5 . CG C -2.892 -3.649 4.505 1.00 . A A . 6 O6H CG 1 1
13 3323 1 1 5 . CH C 0.335 -2.809 7.190 1.00 . A A . 6 O6H CH 1 1
13 3324 1 1 5 . CZ C -0.795 -3.107 6.254 1.00 . A A . 6 O6H CZ 1 1
13 3325 1 1 5 . H1 H -2.710 -2.623 1.801 1.00 . A A . 6 O6H H1 1 1
13 3326 1 1 5 . HA H -2.939 -5.372 2.412 1.00 . A A . 6 O6H HA 1 1
13 3327 1 1 5 . HB1 H -4.688 -4.646 4.024 1.00 . A A . 6 O6H HB1 1 1
13 3328 1 1 5 . HB2 H -4.556 -3.013 3.376 1.00 . A A . 6 O6H HB2 1 1
13 3329 1 1 5 . HE1 H -0.864 -5.186 6.752 1.00 . A A . 6 O6H HE1 1 1
13 3330 1 1 5 . HE2 H -0.944 -1.086 5.578 1.00 . A A . 6 O6H HE2 1 1
13 3331 1 1 5 . HF11 H -2.112 -6.786 4.921 1.00 . A A . 6 O6H HF11 1 1
13 3332 1 1 5 . HF12 H -3.644 -6.172 4.451 1.00 . A A . 6 O6H HF12 1 1
13 3333 1 1 5 . HF13 H -3.292 -6.420 6.113 1.00 . A A . 6 O6H HF13 1 1
13 3334 1 1 5 . HF21 H -3.665 -0.648 4.357 1.00 . A A . 6 O6H HF21 1 1
13 3335 1 1 5 . HF22 H -2.199 -0.547 3.468 1.00 . A A . 6 O6H HF22 1 1
13 3336 1 1 5 . HF23 H -3.458 -1.581 2.929 1.00 . A A . 6 O6H HF23 1 1
13 3337 1 1 5 . HH1 H 0.839 -1.879 6.969 1.00 . A A . 6 O6H HH1 1 1
13 3338 1 1 5 . HH2 H 0.027 -2.727 8.222 1.00 . A A . 6 O6H HH2 1 1
13 3339 1 1 5 . HH3 H 1.111 -3.560 7.181 1.00 . A A . 6 O6H HH3 1 1
13 3340 1 1 5 . N N -2.724 -3.554 1.496 1.00 . A A . 6 O6H N 1 1
13 3341 1 1 5 . O O -5.134 -6.141 1.424 1.00 . A A . 6 O6H O 1 1
13 3342 1 1 6 PHE C C -6.435 -4.292 -1.532 1.00 . A A . 7 PHE C 1 1
13 3343 1 1 6 PHE CA C -6.615 -4.300 -0.022 1.00 . A A . 7 PHE CA 1 1
13 3344 1 1 6 PHE CB C -7.659 -3.248 0.379 1.00 . A A . 7 PHE CB 1 1
13 3345 1 1 6 PHE CD1 C -6.901 -1.325 1.800 1.00 . A A . 7 PHE CD1 1 1
13 3346 1 1 6 PHE CD2 C -7.594 -3.329 2.894 1.00 . A A . 7 PHE CD2 1 1
13 3347 1 1 6 PHE CE1 C -6.620 -0.750 3.024 1.00 . A A . 7 PHE CE1 1 1
13 3348 1 1 6 PHE CE2 C -7.320 -2.755 4.121 1.00 . A A . 7 PHE CE2 1 1
13 3349 1 1 6 PHE CG C -7.389 -2.619 1.719 1.00 . A A . 7 PHE CG 1 1
13 3350 1 1 6 PHE CZ C -6.829 -1.466 4.185 1.00 . A A . 7 PHE CZ 1 1
13 3351 1 1 6 PHE H H -4.940 -3.158 0.583 1.00 . A A . 7 PHE H 1 1
13 3352 1 1 6 PHE HA H -6.963 -5.276 0.284 1.00 . A A . 7 PHE HA 1 1
13 3353 1 1 6 PHE HB2 H -7.668 -2.463 -0.361 1.00 . A A . 7 PHE HB2 1 1
13 3354 1 1 6 PHE HB3 H -8.633 -3.714 0.417 1.00 . A A . 7 PHE HB3 1 1
13 3355 1 1 6 PHE HD1 H -6.737 -0.761 0.892 1.00 . A A . 7 PHE HD1 1 1
13 3356 1 1 6 PHE HD2 H -7.978 -4.336 2.844 1.00 . A A . 7 PHE HD2 1 1
13 3357 1 1 6 PHE HE1 H -6.244 0.262 3.073 1.00 . A A . 7 PHE HE1 1 1
13 3358 1 1 6 PHE HE2 H -7.487 -3.317 5.029 1.00 . A A . 7 PHE HE2 1 1
13 3359 1 1 6 PHE HZ H -6.596 -1.023 5.141 1.00 . A A . 7 PHE HZ 1 1
13 3360 1 1 6 PHE N N -5.350 -4.041 0.657 1.00 . A A . 7 PHE N 1 1
13 3361 1 1 6 PHE O O -7.272 -4.803 -2.272 1.00 . A A . 7 PHE O 1 1
13 3362 1 1 7 DTR C C -4.765 -2.044 -3.715 1.00 . A A . 8 DTR C 1 1
13 3363 1 1 7 DTR CA C -5.113 -3.499 -3.397 1.00 . A A . 8 DTR CA 1 1
13 3364 1 1 7 DTR CB C -3.994 -4.426 -3.887 1.00 . A A . 8 DTR CB 1 1
13 3365 1 1 7 DTR CD1 C -2.550 -3.764 -5.905 1.00 . A A . 8 DTR CD1 1 1
13 3366 1 1 7 DTR CD2 C -4.588 -4.529 -6.435 1.00 . A A . 8 DTR CD2 1 1
13 3367 1 1 7 DTR CE2 C -3.911 -4.197 -7.622 1.00 . A A . 8 DTR CE2 1 1
13 3368 1 1 7 DTR CE3 C -5.890 -5.031 -6.520 1.00 . A A . 8 DTR CE3 1 1
13 3369 1 1 7 DTR CG C -3.699 -4.250 -5.347 1.00 . A A . 8 DTR CG 1 1
13 3370 1 1 7 DTR CH2 C -5.771 -4.843 -8.928 1.00 . A A . 8 DTR CH2 1 1
13 3371 1 1 7 DTR CZ2 C -4.494 -4.350 -8.877 1.00 . A A . 8 DTR CZ2 1 1
13 3372 1 1 7 DTR CZ3 C -6.467 -5.181 -7.765 1.00 . A A . 8 DTR CZ3 1 1
13 3373 1 1 7 DTR H H -4.697 -3.336 -1.343 1.00 . A A . 8 DTR H 1 1
13 3374 1 1 7 DTR HA H -6.005 -3.802 -3.927 1.00 . A A . 8 DTR HA 1 1
13 3375 1 1 7 DTR HB2 H -3.090 -4.216 -3.334 1.00 . A A . 8 DTR HB2 1 1
13 3376 1 1 7 DTR HB3 H -4.285 -5.452 -3.724 1.00 . A A . 8 DTR HB3 1 1
13 3377 1 1 7 DTR HD1 H -1.682 -3.456 -5.342 1.00 . A A . 8 DTR HD1 1 1
13 3378 1 1 7 DTR HE1 H -1.976 -3.429 -7.905 1.00 . A A . 8 DTR HE1 1 1
13 3379 1 1 7 DTR HE3 H -6.443 -5.300 -5.633 1.00 . A A . 8 DTR HE3 1 1
13 3380 1 1 7 DTR HH2 H -6.263 -4.975 -9.879 1.00 . A A . 8 DTR HH2 1 1
13 3381 1 1 7 DTR HZ2 H -3.972 -4.093 -9.785 1.00 . A A . 8 DTR HZ2 1 1
13 3382 1 1 7 DTR HZ3 H -7.472 -5.566 -7.848 1.00 . A A . 8 DTR HZ3 1 1
13 3383 1 1 7 DTR N N -5.354 -3.675 -1.981 1.00 . A A . 8 DTR N 1 1
13 3384 1 1 7 DTR NE1 N -2.670 -3.734 -7.274 1.00 . A A . 8 DTR NE1 1 1
13 3385 1 1 7 DTR O O -3.901 -1.461 -3.065 1.00 . A A . 8 DTR O 1 1
13 3386 1 1 8 LYS C C -5.811 0.956 -4.337 1.00 . A A . 9 LYS C 1 1
13 3387 1 1 8 LYS CA C -5.095 -0.115 -5.155 1.00 . A A . 9 LYS CA 1 1
13 3388 1 1 8 LYS CB C -5.427 0.015 -6.648 1.00 . A A . 9 LYS CB 1 1
13 3389 1 1 8 LYS CD C -3.354 1.346 -7.215 1.00 . A A . 9 LYS CD 1 1
13 3390 1 1 8 LYS CE C -2.695 0.247 -8.035 1.00 . A A . 9 LYS CE 1 1
13 3391 1 1 8 LYS CG C -4.875 1.281 -7.295 1.00 . A A . 9 LYS CG 1 1
13 3392 1 1 8 LYS H H -6.234 -1.883 -5.078 1.00 . A A . 9 LYS H 1 1
13 3393 1 1 8 LYS HA H -4.032 0.002 -5.020 1.00 . A A . 9 LYS HA 1 1
13 3394 1 1 8 LYS HB2 H -5.017 -0.838 -7.168 1.00 . A A . 9 LYS HB2 1 1
13 3395 1 1 8 LYS HB3 H -6.501 0.015 -6.766 1.00 . A A . 9 LYS HB3 1 1
13 3396 1 1 8 LYS HD2 H -3.023 2.304 -7.589 1.00 . A A . 9 LYS HD2 1 1
13 3397 1 1 8 LYS HD3 H -3.054 1.240 -6.182 1.00 . A A . 9 LYS HD3 1 1
13 3398 1 1 8 LYS HE2 H -2.975 -0.712 -7.620 1.00 . A A . 9 LYS HE2 1 1
13 3399 1 1 8 LYS HE3 H -3.047 0.316 -9.054 1.00 . A A . 9 LYS HE3 1 1
13 3400 1 1 8 LYS HG2 H -5.173 1.301 -8.333 1.00 . A A . 9 LYS HG2 1 1
13 3401 1 1 8 LYS HG3 H -5.289 2.140 -6.786 1.00 . A A . 9 LYS HG3 1 1
13 3402 1 1 8 LYS HZ1 H -0.834 0.112 -7.083 1.00 . A A . 9 LYS HZ1 1 1
13 3403 1 1 8 LYS HZ2 H -0.925 1.336 -8.254 1.00 . A A . 9 LYS HZ2 1 1
13 3404 1 1 8 LYS HZ3 H -0.793 -0.279 -8.731 1.00 . A A . 9 LYS HZ3 1 1
13 3405 1 1 8 LYS N N -5.460 -1.437 -4.677 1.00 . A A . 9 LYS N 1 1
13 3406 1 1 8 LYS NZ N -1.211 0.362 -8.024 1.00 . A A . 9 LYS NZ 1 1
13 3407 1 1 8 LYS O O -5.635 2.156 -4.557 1.00 . A A . 9 LYS O 1 1
13 3408 1 1 9 THR C C -6.454 2.023 -1.446 1.00 . A A . 10 THR C 1 1
13 3409 1 1 9 THR CA C -7.354 1.416 -2.531 1.00 . A A . 10 THR CA 1 1
13 3410 1 1 9 THR CB C -8.524 0.664 -1.873 1.00 . A A . 10 THR CB 1 1
13 3411 1 1 9 THR CG2 C -9.747 1.559 -1.754 1.00 . A A . 10 THR CG2 1 1
13 3412 1 1 9 THR H H -6.703 -0.455 -3.248 1.00 . A A . 10 THR H 1 1
13 3413 1 1 9 THR HA H -7.753 2.207 -3.152 1.00 . A A . 10 THR HA 1 1
13 3414 1 1 9 THR HB H -8.222 0.348 -0.887 1.00 . A A . 10 THR HB 1 1
13 3415 1 1 9 THR HG1 H -9.777 -0.744 -2.506 1.00 . A A . 10 THR HG1 1 1
13 3416 1 1 9 THR HG21 H -10.546 1.012 -1.276 1.00 . A A . 10 THR HG21 1 1
13 3417 1 1 9 THR HG22 H -10.062 1.870 -2.740 1.00 . A A . 10 THR HG22 1 1
13 3418 1 1 9 THR HG23 H -9.499 2.428 -1.165 1.00 . A A . 10 THR HG23 1 1
13 3419 1 1 9 THR N N -6.595 0.510 -3.371 1.00 . A A . 10 THR N 1 1
13 3420 1 1 9 THR O O -6.768 3.070 -0.880 1.00 . A A . 10 THR O 1 1
13 3421 1 1 9 THR OG1 O -8.852 -0.493 -2.662 1.00 . A A . 10 THR OG1 1 1
13 3422 1 1 10 PHE C C -2.927 1.843 -1.032 1.00 . A A . 11 PHE C 1 1
13 3423 1 1 10 PHE CA C -4.300 1.949 -0.317 1.00 . A A . 11 PHE CA 1 1
13 3424 1 1 10 PHE CB C -4.238 1.181 1.010 1.00 . A A . 11 PHE CB 1 1
13 3425 1 1 10 PHE CD1 C -3.829 2.622 3.024 1.00 . A A . 11 PHE CD1 1 1
13 3426 1 1 10 PHE CD2 C -1.953 1.560 2.004 1.00 . A A . 11 PHE CD2 1 1
13 3427 1 1 10 PHE CE1 C -2.996 3.190 3.970 1.00 . A A . 11 PHE CE1 1 1
13 3428 1 1 10 PHE CE2 C -1.115 2.128 2.944 1.00 . A A . 11 PHE CE2 1 1
13 3429 1 1 10 PHE CG C -3.321 1.801 2.031 1.00 . A A . 11 PHE CG 1 1
13 3430 1 1 10 PHE CZ C -1.638 2.943 3.929 1.00 . A A . 11 PHE CZ 1 1
13 3431 1 1 10 PHE H H -5.171 0.488 -1.567 1.00 . A A . 11 PHE H 1 1
13 3432 1 1 10 PHE HA H -4.575 2.972 -0.106 1.00 . A A . 11 PHE HA 1 1
13 3433 1 1 10 PHE HB2 H -5.228 1.137 1.438 1.00 . A A . 11 PHE HB2 1 1
13 3434 1 1 10 PHE HB3 H -3.888 0.176 0.817 1.00 . A A . 11 PHE HB3 1 1
13 3435 1 1 10 PHE HD1 H -4.890 2.816 3.059 1.00 . A A . 11 PHE HD1 1 1
13 3436 1 1 10 PHE HD2 H -1.545 0.926 1.232 1.00 . A A . 11 PHE HD2 1 1
13 3437 1 1 10 PHE HE1 H -3.407 3.829 4.738 1.00 . A A . 11 PHE HE1 1 1
13 3438 1 1 10 PHE HE2 H -0.053 1.934 2.910 1.00 . A A . 11 PHE HE2 1 1
13 3439 1 1 10 PHE HZ H -0.984 3.386 4.668 1.00 . A A . 11 PHE HZ 1 1
13 3440 1 1 10 PHE N N -5.324 1.369 -1.172 1.00 . A A . 11 PHE N 1 1
13 3441 1 1 10 PHE O O -2.420 0.731 -1.182 1.00 . A A . 11 PHE O 1 1
13 3442 1 1 11 THR C C -0.109 3.991 -1.399 1.00 . A A . 12 THR C 1 1
13 3443 1 1 11 THR CA C -0.964 2.887 -2.017 1.00 . A A . 12 THR CA 1 1
13 3444 1 1 11 THR CB C -0.945 2.994 -3.556 1.00 . A A . 12 THR CB 1 1
13 3445 1 1 11 THR CG2 C 0.471 2.885 -4.103 1.00 . A A . 12 THR CG2 1 1
13 3446 1 1 11 THR H H -2.795 3.805 -1.564 1.00 . A A . 12 THR H 1 1
13 3447 1 1 11 THR HA H -0.547 1.928 -1.742 1.00 . A A . 12 THR HA 1 1
13 3448 1 1 11 THR HB H -1.357 3.949 -3.846 1.00 . A A . 12 THR HB 1 1
13 3449 1 1 11 THR HG1 H -1.944 1.297 -3.430 1.00 . A A . 12 THR HG1 1 1
13 3450 1 1 11 THR HG21 H 0.449 2.959 -5.181 1.00 . A A . 12 THR HG21 1 1
13 3451 1 1 11 THR HG22 H 0.895 1.935 -3.817 1.00 . A A . 12 THR HG22 1 1
13 3452 1 1 11 THR HG23 H 1.073 3.685 -3.701 1.00 . A A . 12 THR HG23 1 1
13 3453 1 1 11 THR N N -2.321 2.946 -1.507 1.00 . A A . 12 THR N 1 1
13 3454 1 1 11 THR O O -0.365 5.173 -1.619 1.00 . A A . 12 THR O 1 1
13 3455 1 1 11 THR OG1 O -1.752 1.949 -4.115 1.00 . A A . 12 THR OG1 1 1
13 3456 1 1 12 SER C C 3.244 4.243 -0.458 1.00 . A A . 13 SER C 1 1
13 3457 1 1 12 SER CA C 1.808 4.587 -0.058 1.00 . A A . 13 SER CA 1 1
13 3458 1 1 12 SER CB C 1.684 4.639 1.465 1.00 . A A . 13 SER CB 1 1
13 3459 1 1 12 SER H H 0.990 2.668 -0.386 1.00 . A A . 13 SER H 1 1
13 3460 1 1 12 SER HA H 1.545 5.554 -0.461 1.00 . A A . 13 SER HA 1 1
13 3461 1 1 12 SER HB2 H 1.892 3.661 1.874 1.00 . A A . 13 SER HB2 1 1
13 3462 1 1 12 SER HB3 H 2.392 5.353 1.859 1.00 . A A . 13 SER HB3 1 1
13 3463 1 1 12 SER HG H -0.002 5.605 1.176 1.00 . A A . 13 SER HG 1 1
13 3464 1 1 12 SER N N 0.881 3.615 -0.609 1.00 . A A . 13 SER N 1 1
13 3465 1 1 12 SER O O 3.792 3.236 -0.006 1.00 . A A . 13 SER O 1 1
13 3466 1 1 12 SER OG O 0.376 5.028 1.856 1.00 . A A . 13 SER OG 1 1
13 3467 1 1 13 CYS C C 5.940 6.235 -1.592 1.00 . A A . 14 CYS C 1 1
13 3468 1 1 13 CYS CA C 5.224 4.895 -1.704 1.00 . A A . 14 CYS CA 1 1
13 3469 1 1 13 CYS CB C 5.344 4.339 -3.125 1.00 . A A . 14 CYS CB 1 1
13 3470 1 1 13 CYS H H 3.308 5.776 -1.753 1.00 . A A . 14 CYS H 1 1
13 3471 1 1 13 CYS HA H 5.675 4.199 -1.012 1.00 . A A . 14 CYS HA 1 1
13 3472 1 1 13 CYS HB2 H 4.850 5.013 -3.809 1.00 . A A . 14 CYS HB2 1 1
13 3473 1 1 13 CYS HB3 H 6.389 4.269 -3.387 1.00 . A A . 14 CYS HB3 1 1
13 3474 1 1 13 CYS N N 3.829 5.050 -1.334 1.00 . A A . 14 CYS N 1 1
13 3475 1 1 13 CYS O O 5.682 7.153 -2.371 1.00 . A A . 14 CYS O 1 1
13 3476 1 1 13 CYS SG S 4.601 2.686 -3.341 1.00 . A A . 14 CYS SG 1 1
13 3477 1 1 14 LYS C C 9.036 7.302 -0.271 1.00 . A A . 15 LYS C 1 1
13 3478 1 1 14 LYS CA C 7.545 7.585 -0.366 1.00 . A A . 15 LYS CA 1 1
13 3479 1 1 14 LYS CB C 7.060 8.258 0.922 1.00 . A A . 15 LYS CB 1 1
13 3480 1 1 14 LYS CD C 5.344 9.787 -0.151 1.00 . A A . 15 LYS CD 1 1
13 3481 1 1 14 LYS CE C 5.828 11.166 0.297 1.00 . A A . 15 LYS CE 1 1
13 3482 1 1 14 LYS CG C 5.604 8.700 0.889 1.00 . A A . 15 LYS CG 1 1
13 3483 1 1 14 LYS H H 6.983 5.583 -0.025 1.00 . A A . 15 LYS H 1 1
13 3484 1 1 14 LYS HA H 7.369 8.247 -1.200 1.00 . A A . 15 LYS HA 1 1
13 3485 1 1 14 LYS HB2 H 7.181 7.567 1.743 1.00 . A A . 15 LYS HB2 1 1
13 3486 1 1 14 LYS HB3 H 7.672 9.130 1.108 1.00 . A A . 15 LYS HB3 1 1
13 3487 1 1 14 LYS HD2 H 5.854 9.523 -1.066 1.00 . A A . 15 LYS HD2 1 1
13 3488 1 1 14 LYS HD3 H 4.279 9.835 -0.338 1.00 . A A . 15 LYS HD3 1 1
13 3489 1 1 14 LYS HE2 H 5.436 11.905 -0.385 1.00 . A A . 15 LYS HE2 1 1
13 3490 1 1 14 LYS HE3 H 5.446 11.360 1.287 1.00 . A A . 15 LYS HE3 1 1
13 3491 1 1 14 LYS HG2 H 4.989 7.844 0.657 1.00 . A A . 15 LYS HG2 1 1
13 3492 1 1 14 LYS HG3 H 5.337 9.079 1.864 1.00 . A A . 15 LYS HG3 1 1
13 3493 1 1 14 LYS HZ1 H 7.707 10.688 1.087 1.00 . A A . 15 LYS HZ1 1 1
13 3494 1 1 14 LYS HZ2 H 7.597 12.269 0.488 1.00 . A A . 15 LYS HZ2 1 1
13 3495 1 1 14 LYS HZ3 H 7.714 10.963 -0.587 1.00 . A A . 15 LYS HZ3 1 1
13 3496 1 1 14 LYS N N 6.816 6.352 -0.608 1.00 . A A . 15 LYS N 1 1
13 3497 1 1 14 LYS NZ N 7.313 11.277 0.323 1.00 . A A . 15 LYS NZ 1 1
13 3498 1 1 14 LYS O O 9.486 6.818 0.785 1.00 . A A . 15 LYS O 1 1
13 3499 1 1 14 LYS OXT O 9.755 7.563 -1.255 1.00 . A A . 15 LYS OXT 1 1
13 3500 2 2 1 . C1 C 9.907 1.373 1.659 1.00 . B A . 101 OCA C1 1 1
13 3501 2 2 1 . C2 C 9.593 1.970 0.287 1.00 . B A . 101 OCA C2 1 1
13 3502 2 2 1 . C3 C 8.289 2.767 0.258 1.00 . B A . 101 OCA C3 1 1
13 3503 2 2 1 . C4 C 8.161 3.701 1.452 1.00 . B A . 101 OCA C4 1 1
13 3504 2 2 1 . C5 C 6.710 4.061 1.728 1.00 . B A . 101 OCA C5 1 1
13 3505 2 2 1 . C6 C 6.120 3.216 2.844 1.00 . B A . 101 OCA C6 1 1
13 3506 2 2 1 . C7 C 5.125 4.009 3.673 1.00 . B A . 101 OCA C7 1 1
13 3507 2 2 1 . C8 C 4.522 3.171 4.776 1.00 . B A . 101 OCA C8 1 1
13 3508 2 2 1 . H21 H 9.518 1.162 -0.427 1.00 . B A . 101 OCA H21 1 1
13 3509 2 2 1 . H22 H 10.404 2.623 0.001 1.00 . B A . 101 OCA H22 1 1
13 3510 2 2 1 . H31 H 7.460 2.077 0.265 1.00 . B A . 101 OCA H31 1 1
13 3511 2 2 1 . H32 H 8.260 3.355 -0.649 1.00 . B A . 101 OCA H32 1 1
13 3512 2 2 1 . H41 H 8.573 3.213 2.325 1.00 . B A . 101 OCA H41 1 1
13 3513 2 2 1 . H42 H 8.715 4.606 1.250 1.00 . B A . 101 OCA H42 1 1
13 3514 2 2 1 . H51 H 6.656 5.103 2.012 1.00 . B A . 101 OCA H51 1 1
13 3515 2 2 1 . H52 H 6.135 3.903 0.827 1.00 . B A . 101 OCA H52 1 1
13 3516 2 2 1 . H61 H 5.614 2.365 2.411 1.00 . B A . 101 OCA H61 1 1
13 3517 2 2 1 . H62 H 6.919 2.875 3.487 1.00 . B A . 101 OCA H62 1 1
13 3518 2 2 1 . H71 H 4.328 4.357 3.032 1.00 . B A . 101 OCA H71 1 1
13 3519 2 2 1 . H72 H 5.630 4.853 4.120 1.00 . B A . 101 OCA H72 1 1
13 3520 2 2 1 . H81 H 3.670 3.687 5.195 1.00 . B A . 101 OCA H81 1 1
13 3521 2 2 1 . H82 H 5.259 3.007 5.550 1.00 . B A . 101 OCA H82 1 1
13 3522 2 2 1 . H83 H 4.205 2.221 4.374 1.00 . B A . 101 OCA H83 1 1
13 3523 2 2 1 . O1 O 10.521 1.972 2.543 1.00 . B A . 101 OCA O1 1 1
14 3524 1 1 1 PRO C C 7.157 0.242 0.268 1.00 . A A . 2 PRO C 1 1
14 3525 1 1 1 PRO CA C 8.605 -0.135 0.588 1.00 . A A . 2 PRO CA 1 1
14 3526 1 1 1 PRO CB C 9.572 0.787 -0.150 1.00 . A A . 2 PRO CB 1 1
14 3527 1 1 1 PRO CD C 9.664 -1.370 -1.222 1.00 . A A . 2 PRO CD 1 1
14 3528 1 1 1 PRO CG C 9.801 0.115 -1.462 1.00 . A A . 2 PRO CG 1 1
14 3529 1 1 1 PRO HA H 8.770 -0.059 1.652 1.00 . A A . 2 PRO HA 1 1
14 3530 1 1 1 PRO HB2 H 9.120 1.760 -0.275 1.00 . A A . 2 PRO HB2 1 1
14 3531 1 1 1 PRO HB3 H 10.489 0.876 0.410 1.00 . A A . 2 PRO HB3 1 1
14 3532 1 1 1 PRO HD2 H 9.071 -1.824 -2.001 1.00 . A A . 2 PRO HD2 1 1
14 3533 1 1 1 PRO HD3 H 10.639 -1.833 -1.172 1.00 . A A . 2 PRO HD3 1 1
14 3534 1 1 1 PRO HG2 H 9.059 0.445 -2.175 1.00 . A A . 2 PRO HG2 1 1
14 3535 1 1 1 PRO HG3 H 10.793 0.345 -1.823 1.00 . A A . 2 PRO HG3 1 1
14 3536 1 1 1 PRO N N 8.972 -1.464 0.080 1.00 . A A . 2 PRO N 1 1
14 3537 1 1 1 PRO O O 6.686 1.314 0.650 1.00 . A A . 2 PRO O 1 1
14 3538 1 1 2 CYS C C 4.225 -1.581 -0.199 1.00 . A A . 3 CYS C 1 1
14 3539 1 1 2 CYS CA C 5.060 -0.437 -0.761 1.00 . A A . 3 CYS CA 1 1
14 3540 1 1 2 CYS CB C 4.850 -0.339 -2.273 1.00 . A A . 3 CYS CB 1 1
14 3541 1 1 2 CYS H H 6.920 -1.442 -0.789 1.00 . A A . 3 CYS H 1 1
14 3542 1 1 2 CYS HA H 4.745 0.491 -0.301 1.00 . A A . 3 CYS HA 1 1
14 3543 1 1 2 CYS HB2 H 5.182 -1.257 -2.734 1.00 . A A . 3 CYS HB2 1 1
14 3544 1 1 2 CYS HB3 H 3.796 -0.205 -2.473 1.00 . A A . 3 CYS HB3 1 1
14 3545 1 1 2 CYS N N 6.467 -0.637 -0.449 1.00 . A A . 3 CYS N 1 1
14 3546 1 1 2 CYS O O 4.318 -2.719 -0.667 1.00 . A A . 3 CYS O 1 1
14 3547 1 1 2 CYS SG S 5.747 1.033 -3.069 1.00 . A A . 3 CYS SG 1 1
14 3548 1 1 3 LYS C C 1.119 -1.969 1.086 1.00 . A A . 4 LYS C 1 1
14 3549 1 1 3 LYS CA C 2.566 -2.298 1.403 1.00 . A A . 4 LYS CA 1 1
14 3550 1 1 3 LYS CB C 2.749 -2.367 2.922 1.00 . A A . 4 LYS CB 1 1
14 3551 1 1 3 LYS CD C 3.136 -4.830 3.215 1.00 . A A . 4 LYS CD 1 1
14 3552 1 1 3 LYS CE C 2.559 -6.142 3.722 1.00 . A A . 4 LYS CE 1 1
14 3553 1 1 3 LYS CG C 2.228 -3.654 3.538 1.00 . A A . 4 LYS CG 1 1
14 3554 1 1 3 LYS H H 3.432 -0.384 1.188 1.00 . A A . 4 LYS H 1 1
14 3555 1 1 3 LYS HA H 2.818 -3.255 0.970 1.00 . A A . 4 LYS HA 1 1
14 3556 1 1 3 LYS HB2 H 3.800 -2.277 3.152 1.00 . A A . 4 LYS HB2 1 1
14 3557 1 1 3 LYS HB3 H 2.216 -1.539 3.373 1.00 . A A . 4 LYS HB3 1 1
14 3558 1 1 3 LYS HD2 H 3.261 -4.893 2.144 1.00 . A A . 4 LYS HD2 1 1
14 3559 1 1 3 LYS HD3 H 4.097 -4.666 3.681 1.00 . A A . 4 LYS HD3 1 1
14 3560 1 1 3 LYS HE2 H 2.272 -6.023 4.757 1.00 . A A . 4 LYS HE2 1 1
14 3561 1 1 3 LYS HE3 H 1.687 -6.389 3.133 1.00 . A A . 4 LYS HE3 1 1
14 3562 1 1 3 LYS HG2 H 2.176 -3.536 4.610 1.00 . A A . 4 LYS HG2 1 1
14 3563 1 1 3 LYS HG3 H 1.241 -3.856 3.147 1.00 . A A . 4 LYS HG3 1 1
14 3564 1 1 3 LYS HZ1 H 3.062 -8.171 3.736 1.00 . A A . 4 LYS HZ1 1 1
14 3565 1 1 3 LYS HZ2 H 4.266 -7.158 4.366 1.00 . A A . 4 LYS HZ2 1 1
14 3566 1 1 3 LYS HZ3 H 4.019 -7.234 2.690 1.00 . A A . 4 LYS HZ3 1 1
14 3567 1 1 3 LYS N N 3.436 -1.293 0.821 1.00 . A A . 4 LYS N 1 1
14 3568 1 1 3 LYS NZ N 3.542 -7.252 3.619 1.00 . A A . 4 LYS NZ 1 1
14 3569 1 1 3 LYS O O 0.584 -0.976 1.579 1.00 . A A . 4 LYS O 1 1
14 3570 1 1 4 ASN C C -1.730 -3.691 0.594 1.00 . A A . 5 ASN C 1 1
14 3571 1 1 4 ASN CA C -0.916 -2.564 -0.043 1.00 . A A . 5 ASN CA 1 1
14 3572 1 1 4 ASN CB C -1.151 -2.558 -1.558 1.00 . A A . 5 ASN CB 1 1
14 3573 1 1 4 ASN CG C -0.218 -1.616 -2.301 1.00 . A A . 5 ASN CG 1 1
14 3574 1 1 4 ASN H H 0.971 -3.525 -0.170 1.00 . A A . 5 ASN H 1 1
14 3575 1 1 4 ASN HA H -1.207 -1.609 0.364 1.00 . A A . 5 ASN HA 1 1
14 3576 1 1 4 ASN HB2 H -0.996 -3.556 -1.941 1.00 . A A . 5 ASN HB2 1 1
14 3577 1 1 4 ASN HB3 H -2.168 -2.256 -1.756 1.00 . A A . 5 ASN HB3 1 1
14 3578 1 1 4 ASN HD21 H -1.547 -0.140 -2.182 1.00 . A A . 5 ASN HD21 1 1
14 3579 1 1 4 ASN HD22 H -0.070 0.230 -3.001 1.00 . A A . 5 ASN HD22 1 1
14 3580 1 1 4 ASN N N 0.485 -2.776 0.252 1.00 . A A . 5 ASN N 1 1
14 3581 1 1 4 ASN ND2 N -0.653 -0.385 -2.514 1.00 . A A . 5 ASN ND2 1 1
14 3582 1 1 4 ASN O O -1.652 -4.838 0.156 1.00 . A A . 5 ASN O 1 1
14 3583 1 1 4 ASN OD1 O 0.883 -1.998 -2.691 1.00 . A A . 5 ASN OD1 1 1
14 3584 1 1 5 . C C -4.492 -4.806 1.450 1.00 . A A . 6 O6H C 1 1
14 3585 1 1 5 . CA C -3.309 -4.377 2.310 1.00 . A A . 6 O6H CA 1 1
14 3586 1 1 5 . CB C -3.797 -3.853 3.662 1.00 . A A . 6 O6H CB 1 1
14 3587 1 1 5 . CD1 C -2.370 -2.041 4.680 1.00 . A A . 6 O6H CD1 1 1
14 3588 1 1 5 . CD2 C -1.941 -4.299 5.318 1.00 . A A . 6 O6H CD2 1 1
14 3589 1 1 5 . CE1 C -1.353 -1.606 5.502 1.00 . A A . 6 O6H CE1 1 1
14 3590 1 1 5 . CE2 C -0.920 -3.873 6.148 1.00 . A A . 6 O6H CE2 1 1
14 3591 1 1 5 . CF1 C -3.148 -1.029 3.893 1.00 . A A . 6 O6H CF1 1 1
14 3592 1 1 5 . CF2 C -2.250 -5.768 5.234 1.00 . A A . 6 O6H CF2 1 1
14 3593 1 1 5 . CG C -2.685 -3.391 4.570 1.00 . A A . 6 O6H CG 1 1
14 3594 1 1 5 . CH C 0.475 -2.056 7.123 1.00 . A A . 6 O6H CH 1 1
14 3595 1 1 5 . CZ C -0.632 -2.527 6.232 1.00 . A A . 6 O6H CZ 1 1
14 3596 1 1 5 . H1 H -2.491 -2.464 1.988 1.00 . A A . 6 O6H H1 1 1
14 3597 1 1 5 . HA H -2.686 -5.241 2.483 1.00 . A A . 6 O6H HA 1 1
14 3598 1 1 5 . HB1 H -4.336 -4.639 4.171 1.00 . A A . 6 O6H HB1 1 1
14 3599 1 1 5 . HB2 H -4.459 -3.017 3.498 1.00 . A A . 6 O6H HB2 1 1
14 3600 1 1 5 . HE1 H -1.123 -0.554 5.573 1.00 . A A . 6 O6H HE1 1 1
14 3601 1 1 5 . HE2 H -0.350 -4.590 6.722 1.00 . A A . 6 O6H HE2 1 1
14 3602 1 1 5 . HF11 H -4.000 -1.450 3.378 1.00 . A A . 6 O6H HF11 1 1
14 3603 1 1 5 . HF12 H -2.565 -0.542 3.127 1.00 . A A . 6 O6H HF12 1 1
14 3604 1 1 5 . HF13 H -3.546 -0.229 4.499 1.00 . A A . 6 O6H HF13 1 1
14 3605 1 1 5 . HF21 H -1.368 -6.389 5.180 1.00 . A A . 6 O6H HF21 1 1
14 3606 1 1 5 . HF22 H -2.839 -6.033 4.368 1.00 . A A . 6 O6H HF22 1 1
14 3607 1 1 5 . HF23 H -2.807 -6.138 6.082 1.00 . A A . 6 O6H HF23 1 1
14 3608 1 1 5 . HH1 H 1.359 -2.672 7.065 1.00 . A A . 6 O6H HH1 1 1
14 3609 1 1 5 . HH2 H 0.809 -1.053 6.898 1.00 . A A . 6 O6H HH2 1 1
14 3610 1 1 5 . HH3 H 0.206 -2.039 8.168 1.00 . A A . 6 O6H HH3 1 1
14 3611 1 1 5 . N N -2.491 -3.379 1.642 1.00 . A A . 6 O6H N 1 1
14 3612 1 1 5 . O O -4.859 -5.979 1.421 1.00 . A A . 6 O6H O 1 1
14 3613 1 1 6 PHE C C -6.262 -4.060 -1.411 1.00 . A A . 7 PHE C 1 1
14 3614 1 1 6 PHE CA C -6.382 -4.063 0.112 1.00 . A A . 7 PHE CA 1 1
14 3615 1 1 6 PHE CB C -7.392 -3.009 0.573 1.00 . A A . 7 PHE CB 1 1
14 3616 1 1 6 PHE CD1 C -7.854 -3.859 2.895 1.00 . A A . 7 PHE CD1 1 1
14 3617 1 1 6 PHE CD2 C -7.003 -1.645 2.644 1.00 . A A . 7 PHE CD2 1 1
14 3618 1 1 6 PHE CE1 C -7.867 -3.699 4.269 1.00 . A A . 7 PHE CE1 1 1
14 3619 1 1 6 PHE CE2 C -7.017 -1.480 4.015 1.00 . A A . 7 PHE CE2 1 1
14 3620 1 1 6 PHE CG C -7.421 -2.834 2.067 1.00 . A A . 7 PHE CG 1 1
14 3621 1 1 6 PHE CZ C -7.448 -2.508 4.828 1.00 . A A . 7 PHE CZ 1 1
14 3622 1 1 6 PHE H H -4.679 -2.959 0.716 1.00 . A A . 7 PHE H 1 1
14 3623 1 1 6 PHE HA H -6.737 -5.035 0.422 1.00 . A A . 7 PHE HA 1 1
14 3624 1 1 6 PHE HB2 H -7.138 -2.058 0.130 1.00 . A A . 7 PHE HB2 1 1
14 3625 1 1 6 PHE HB3 H -8.381 -3.300 0.251 1.00 . A A . 7 PHE HB3 1 1
14 3626 1 1 6 PHE HD1 H -8.183 -4.792 2.459 1.00 . A A . 7 PHE HD1 1 1
14 3627 1 1 6 PHE HD2 H -6.666 -0.840 2.010 1.00 . A A . 7 PHE HD2 1 1
14 3628 1 1 6 PHE HE1 H -8.205 -4.504 4.905 1.00 . A A . 7 PHE HE1 1 1
14 3629 1 1 6 PHE HE2 H -6.694 -0.545 4.450 1.00 . A A . 7 PHE HE2 1 1
14 3630 1 1 6 PHE HZ H -7.452 -2.382 5.901 1.00 . A A . 7 PHE HZ 1 1
14 3631 1 1 6 PHE N N -5.099 -3.841 0.769 1.00 . A A . 7 PHE N 1 1
14 3632 1 1 6 PHE O O -7.155 -4.540 -2.108 1.00 . A A . 7 PHE O 1 1
14 3633 1 1 7 DTR C C -4.719 -2.009 -3.866 1.00 . A A . 8 DTR C 1 1
14 3634 1 1 7 DTR CA C -4.992 -3.435 -3.371 1.00 . A A . 8 DTR CA 1 1
14 3635 1 1 7 DTR CB C -3.850 -4.370 -3.792 1.00 . A A . 8 DTR CB 1 1
14 3636 1 1 7 DTR CD1 C -4.271 -4.770 -6.287 1.00 . A A . 8 DTR CD1 1 1
14 3637 1 1 7 DTR CD2 C -2.402 -3.619 -5.841 1.00 . A A . 8 DTR CD2 1 1
14 3638 1 1 7 DTR CE2 C -2.526 -3.752 -7.234 1.00 . A A . 8 DTR CE2 1 1
14 3639 1 1 7 DTR CE3 C -1.299 -2.935 -5.326 1.00 . A A . 8 DTR CE3 1 1
14 3640 1 1 7 DTR CG C -3.534 -4.271 -5.252 1.00 . A A . 8 DTR CG 1 1
14 3641 1 1 7 DTR CH2 C -0.526 -2.556 -7.589 1.00 . A A . 8 DTR CH2 1 1
14 3642 1 1 7 DTR CZ2 C -1.595 -3.223 -8.118 1.00 . A A . 8 DTR CZ2 1 1
14 3643 1 1 7 DTR CZ3 C -0.370 -2.412 -6.205 1.00 . A A . 8 DTR CZ3 1 1
14 3644 1 1 7 DTR H H -4.523 -3.078 -1.343 1.00 . A A . 8 DTR H 1 1
14 3645 1 1 7 DTR HA H -5.883 -3.831 -3.841 1.00 . A A . 8 DTR HA 1 1
14 3646 1 1 7 DTR HB2 H -2.959 -4.117 -3.237 1.00 . A A . 8 DTR HB2 1 1
14 3647 1 1 7 DTR HB3 H -4.127 -5.392 -3.577 1.00 . A A . 8 DTR HB3 1 1
14 3648 1 1 7 DTR HD1 H -5.191 -5.322 -6.170 1.00 . A A . 8 DTR HD1 1 1
14 3649 1 1 7 DTR HE1 H -4.014 -4.695 -8.374 1.00 . A A . 8 DTR HE1 1 1
14 3650 1 1 7 DTR HE3 H -1.165 -2.814 -4.262 1.00 . A A . 8 DTR HE3 1 1
14 3651 1 1 7 DTR HH2 H 0.224 -2.134 -8.240 1.00 . A A . 8 DTR HH2 1 1
14 3652 1 1 7 DTR HZ2 H -1.710 -3.311 -9.185 1.00 . A A . 8 DTR HZ2 1 1
14 3653 1 1 7 DTR HZ3 H 0.490 -1.879 -5.825 1.00 . A A . 8 DTR HZ3 1 1
14 3654 1 1 7 DTR N N -5.191 -3.480 -1.931 1.00 . A A . 8 DTR N 1 1
14 3655 1 1 7 DTR NE1 N -3.674 -4.453 -7.482 1.00 . A A . 8 DTR NE1 1 1
14 3656 1 1 7 DTR O O -3.848 -1.328 -3.326 1.00 . A A . 8 DTR O 1 1
14 3657 1 1 8 LYS C C -5.963 0.861 -4.777 1.00 . A A . 9 LYS C 1 1
14 3658 1 1 8 LYS CA C -5.202 -0.246 -5.489 1.00 . A A . 9 LYS CA 1 1
14 3659 1 1 8 LYS CB C -5.603 -0.266 -6.970 1.00 . A A . 9 LYS CB 1 1
14 3660 1 1 8 LYS CD C -3.404 -0.479 -8.179 1.00 . A A . 9 LYS CD 1 1
14 3661 1 1 8 LYS CE C -3.544 0.619 -9.232 1.00 . A A . 9 LYS CE 1 1
14 3662 1 1 8 LYS CG C -4.733 -1.147 -7.841 1.00 . A A . 9 LYS CG 1 1
14 3663 1 1 8 LYS H H -6.219 -2.081 -5.221 1.00 . A A . 9 LYS H 1 1
14 3664 1 1 8 LYS HA H -4.142 -0.053 -5.413 1.00 . A A . 9 LYS HA 1 1
14 3665 1 1 8 LYS HB2 H -6.621 -0.612 -7.051 1.00 . A A . 9 LYS HB2 1 1
14 3666 1 1 8 LYS HB3 H -5.541 0.736 -7.357 1.00 . A A . 9 LYS HB3 1 1
14 3667 1 1 8 LYS HD2 H -2.996 -0.044 -7.280 1.00 . A A . 9 LYS HD2 1 1
14 3668 1 1 8 LYS HD3 H -2.726 -1.232 -8.550 1.00 . A A . 9 LYS HD3 1 1
14 3669 1 1 8 LYS HE2 H -2.557 0.909 -9.561 1.00 . A A . 9 LYS HE2 1 1
14 3670 1 1 8 LYS HE3 H -4.096 0.222 -10.070 1.00 . A A . 9 LYS HE3 1 1
14 3671 1 1 8 LYS HG2 H -4.538 -2.072 -7.319 1.00 . A A . 9 LYS HG2 1 1
14 3672 1 1 8 LYS HG3 H -5.260 -1.357 -8.759 1.00 . A A . 9 LYS HG3 1 1
14 3673 1 1 8 LYS HZ1 H -3.899 2.056 -7.759 1.00 . A A . 9 LYS HZ1 1 1
14 3674 1 1 8 LYS HZ2 H -5.276 1.649 -8.672 1.00 . A A . 9 LYS HZ2 1 1
14 3675 1 1 8 LYS HZ3 H -4.072 2.636 -9.340 1.00 . A A . 9 LYS HZ3 1 1
14 3676 1 1 8 LYS N N -5.470 -1.543 -4.874 1.00 . A A . 9 LYS N 1 1
14 3677 1 1 8 LYS NZ N -4.249 1.821 -8.715 1.00 . A A . 9 LYS NZ 1 1
14 3678 1 1 8 LYS O O -5.854 2.030 -5.137 1.00 . A A . 9 LYS O 1 1
14 3679 1 1 9 THR C C -6.639 2.154 -1.958 1.00 . A A . 10 THR C 1 1
14 3680 1 1 9 THR CA C -7.508 1.440 -2.998 1.00 . A A . 10 THR CA 1 1
14 3681 1 1 9 THR CB C -8.692 0.741 -2.307 1.00 . A A . 10 THR CB 1 1
14 3682 1 1 9 THR CG2 C -9.795 0.433 -3.305 1.00 . A A . 10 THR CG2 1 1
14 3683 1 1 9 THR H H -6.806 -0.470 -3.558 1.00 . A A . 10 THR H 1 1
14 3684 1 1 9 THR HA H -7.905 2.175 -3.682 1.00 . A A . 10 THR HA 1 1
14 3685 1 1 9 THR HB H -9.089 1.401 -1.547 1.00 . A A . 10 THR HB 1 1
14 3686 1 1 9 THR HG1 H -8.202 -0.335 -0.724 1.00 . A A . 10 THR HG1 1 1
14 3687 1 1 9 THR HG21 H -9.410 -0.216 -4.078 1.00 . A A . 10 THR HG21 1 1
14 3688 1 1 9 THR HG22 H -10.146 1.354 -3.748 1.00 . A A . 10 THR HG22 1 1
14 3689 1 1 9 THR HG23 H -10.613 -0.057 -2.798 1.00 . A A . 10 THR HG23 1 1
14 3690 1 1 9 THR N N -6.734 0.483 -3.772 1.00 . A A . 10 THR N 1 1
14 3691 1 1 9 THR O O -6.871 3.321 -1.632 1.00 . A A . 10 THR O 1 1
14 3692 1 1 9 THR OG1 O -8.249 -0.476 -1.687 1.00 . A A . 10 THR OG1 1 1
14 3693 1 1 10 PHE C C -3.273 2.060 -1.080 1.00 . A A . 11 PHE C 1 1
14 3694 1 1 10 PHE CA C -4.708 2.043 -0.487 1.00 . A A . 11 PHE CA 1 1
14 3695 1 1 10 PHE CB C -4.710 1.217 0.802 1.00 . A A . 11 PHE CB 1 1
14 3696 1 1 10 PHE CD1 C -4.846 2.550 2.925 1.00 . A A . 11 PHE CD1 1 1
14 3697 1 1 10 PHE CD2 C -2.688 1.951 2.110 1.00 . A A . 11 PHE CD2 1 1
14 3698 1 1 10 PHE CE1 C -4.266 3.197 3.998 1.00 . A A . 11 PHE CE1 1 1
14 3699 1 1 10 PHE CE2 C -2.103 2.597 3.181 1.00 . A A . 11 PHE CE2 1 1
14 3700 1 1 10 PHE CG C -4.067 1.919 1.968 1.00 . A A . 11 PHE CG 1 1
14 3701 1 1 10 PHE CZ C -2.893 3.220 4.126 1.00 . A A . 11 PHE CZ 1 1
14 3702 1 1 10 PHE H H -5.479 0.537 -1.746 1.00 . A A . 11 PHE H 1 1
14 3703 1 1 10 PHE HA H -5.065 3.035 -0.254 1.00 . A A . 11 PHE HA 1 1
14 3704 1 1 10 PHE HB2 H -5.730 0.989 1.074 1.00 . A A . 11 PHE HB2 1 1
14 3705 1 1 10 PHE HB3 H -4.173 0.295 0.631 1.00 . A A . 11 PHE HB3 1 1
14 3706 1 1 10 PHE HD1 H -5.921 2.530 2.826 1.00 . A A . 11 PHE HD1 1 1
14 3707 1 1 10 PHE HD2 H -2.069 1.465 1.370 1.00 . A A . 11 PHE HD2 1 1
14 3708 1 1 10 PHE HE1 H -4.887 3.686 4.735 1.00 . A A . 11 PHE HE1 1 1
14 3709 1 1 10 PHE HE2 H -1.026 2.614 3.280 1.00 . A A . 11 PHE HE2 1 1
14 3710 1 1 10 PHE HZ H -2.436 3.726 4.963 1.00 . A A . 11 PHE HZ 1 1
14 3711 1 1 10 PHE N N -5.624 1.459 -1.454 1.00 . A A . 11 PHE N 1 1
14 3712 1 1 10 PHE O O -2.692 0.985 -1.238 1.00 . A A . 11 PHE O 1 1
14 3713 1 1 11 THR C C -0.381 3.967 -1.022 1.00 . A A . 12 THR C 1 1
14 3714 1 1 11 THR CA C -1.333 3.237 -1.972 1.00 . A A . 12 THR CA 1 1
14 3715 1 1 11 THR CB C -1.298 3.914 -3.356 1.00 . A A . 12 THR CB 1 1
14 3716 1 1 11 THR CG2 C 0.061 3.736 -4.017 1.00 . A A . 12 THR CG2 1 1
14 3717 1 1 11 THR H H -3.156 4.077 -1.367 1.00 . A A . 12 THR H 1 1
14 3718 1 1 11 THR HA H -1.006 2.215 -2.082 1.00 . A A . 12 THR HA 1 1
14 3719 1 1 11 THR HB H -1.487 4.971 -3.230 1.00 . A A . 12 THR HB 1 1
14 3720 1 1 11 THR HG1 H -3.119 3.897 -4.130 1.00 . A A . 12 THR HG1 1 1
14 3721 1 1 11 THR HG21 H 0.064 4.231 -4.977 1.00 . A A . 12 THR HG21 1 1
14 3722 1 1 11 THR HG22 H 0.258 2.684 -4.156 1.00 . A A . 12 THR HG22 1 1
14 3723 1 1 11 THR HG23 H 0.827 4.164 -3.389 1.00 . A A . 12 THR HG23 1 1
14 3724 1 1 11 THR N N -2.686 3.224 -1.437 1.00 . A A . 12 THR N 1 1
14 3725 1 1 11 THR O O -0.481 5.183 -0.839 1.00 . A A . 12 THR O 1 1
14 3726 1 1 11 THR OG1 O -2.317 3.351 -4.194 1.00 . A A . 12 THR OG1 1 1
14 3727 1 1 12 SER C C 2.910 3.331 0.163 1.00 . A A . 13 SER C 1 1
14 3728 1 1 12 SER CA C 1.494 3.807 0.505 1.00 . A A . 13 SER CA 1 1
14 3729 1 1 12 SER CB C 1.146 3.456 1.953 1.00 . A A . 13 SER CB 1 1
14 3730 1 1 12 SER H H 0.529 2.251 -0.548 1.00 . A A . 13 SER H 1 1
14 3731 1 1 12 SER HA H 1.441 4.879 0.388 1.00 . A A . 13 SER HA 1 1
14 3732 1 1 12 SER HB2 H 1.967 3.736 2.596 1.00 . A A . 13 SER HB2 1 1
14 3733 1 1 12 SER HB3 H 0.257 3.994 2.246 1.00 . A A . 13 SER HB3 1 1
14 3734 1 1 12 SER HG H 1.573 1.573 1.606 1.00 . A A . 13 SER HG 1 1
14 3735 1 1 12 SER N N 0.519 3.220 -0.400 1.00 . A A . 13 SER N 1 1
14 3736 1 1 12 SER O O 3.223 2.148 0.319 1.00 . A A . 13 SER O 1 1
14 3737 1 1 12 SER OG O 0.907 2.068 2.097 1.00 . A A . 13 SER OG 1 1
14 3738 1 1 13 CYS C C 6.096 4.901 -0.011 1.00 . A A . 14 CYS C 1 1
14 3739 1 1 13 CYS CA C 5.135 3.908 -0.651 1.00 . A A . 14 CYS CA 1 1
14 3740 1 1 13 CYS CB C 5.331 3.894 -2.167 1.00 . A A . 14 CYS CB 1 1
14 3741 1 1 13 CYS H H 3.450 5.169 -0.447 1.00 . A A . 14 CYS H 1 1
14 3742 1 1 13 CYS HA H 5.341 2.922 -0.260 1.00 . A A . 14 CYS HA 1 1
14 3743 1 1 13 CYS HB2 H 4.997 4.838 -2.575 1.00 . A A . 14 CYS HB2 1 1
14 3744 1 1 13 CYS HB3 H 6.382 3.766 -2.385 1.00 . A A . 14 CYS HB3 1 1
14 3745 1 1 13 CYS N N 3.756 4.243 -0.315 1.00 . A A . 14 CYS N 1 1
14 3746 1 1 13 CYS O O 6.033 6.101 -0.282 1.00 . A A . 14 CYS O 1 1
14 3747 1 1 13 CYS SG S 4.420 2.569 -3.024 1.00 . A A . 14 CYS SG 1 1
14 3748 1 1 14 LYS C C 9.196 4.446 1.852 1.00 . A A . 15 LYS C 1 1
14 3749 1 1 14 LYS CA C 7.940 5.243 1.528 1.00 . A A . 15 LYS CA 1 1
14 3750 1 1 14 LYS CB C 7.347 5.877 2.803 1.00 . A A . 15 LYS CB 1 1
14 3751 1 1 14 LYS CD C 5.523 4.251 3.497 1.00 . A A . 15 LYS CD 1 1
14 3752 1 1 14 LYS CE C 4.439 5.295 3.261 1.00 . A A . 15 LYS CE 1 1
14 3753 1 1 14 LYS CG C 6.859 4.890 3.864 1.00 . A A . 15 LYS CG 1 1
14 3754 1 1 14 LYS H H 6.983 3.433 1.015 1.00 . A A . 15 LYS H 1 1
14 3755 1 1 14 LYS HA H 8.211 6.034 0.843 1.00 . A A . 15 LYS HA 1 1
14 3756 1 1 14 LYS HB2 H 8.102 6.500 3.256 1.00 . A A . 15 LYS HB2 1 1
14 3757 1 1 14 LYS HB3 H 6.512 6.501 2.517 1.00 . A A . 15 LYS HB3 1 1
14 3758 1 1 14 LYS HD2 H 5.650 3.672 2.595 1.00 . A A . 15 LYS HD2 1 1
14 3759 1 1 14 LYS HD3 H 5.216 3.602 4.302 1.00 . A A . 15 LYS HD3 1 1
14 3760 1 1 14 LYS HE2 H 4.735 5.923 2.435 1.00 . A A . 15 LYS HE2 1 1
14 3761 1 1 14 LYS HE3 H 3.519 4.785 3.012 1.00 . A A . 15 LYS HE3 1 1
14 3762 1 1 14 LYS HG2 H 7.595 4.108 3.975 1.00 . A A . 15 LYS HG2 1 1
14 3763 1 1 14 LYS HG3 H 6.749 5.414 4.802 1.00 . A A . 15 LYS HG3 1 1
14 3764 1 1 14 LYS HZ1 H 3.937 5.562 5.273 1.00 . A A . 15 LYS HZ1 1 1
14 3765 1 1 14 LYS HZ2 H 3.443 6.833 4.264 1.00 . A A . 15 LYS HZ2 1 1
14 3766 1 1 14 LYS HZ3 H 5.076 6.680 4.693 1.00 . A A . 15 LYS HZ3 1 1
14 3767 1 1 14 LYS N N 6.972 4.401 0.846 1.00 . A A . 15 LYS N 1 1
14 3768 1 1 14 LYS NZ N 4.210 6.149 4.455 1.00 . A A . 15 LYS NZ 1 1
14 3769 1 1 14 LYS O O 10.293 4.884 1.448 1.00 . A A . 15 LYS O 1 1
14 3770 1 1 14 LYS OXT O 9.077 3.371 2.470 1.00 . A A . 15 LYS OXT 1 1
14 3771 2 2 1 . C1 C 8.730 -2.620 0.743 1.00 . B A . 101 OCA C1 1 1
14 3772 2 2 1 . C2 C 8.107 -2.344 2.103 1.00 . B A . 101 OCA C2 1 1
14 3773 2 2 1 . C3 C 9.146 -2.170 3.198 1.00 . B A . 101 OCA C3 1 1
14 3774 2 2 1 . C4 C 8.655 -2.719 4.527 1.00 . B A . 101 OCA C4 1 1
14 3775 2 2 1 . C5 C 8.705 -1.662 5.619 1.00 . B A . 101 OCA C5 1 1
14 3776 2 2 1 . C6 C 10.072 -1.601 6.274 1.00 . B A . 101 OCA C6 1 1
14 3777 2 2 1 . C7 C 9.964 -1.302 7.756 1.00 . B A . 101 OCA C7 1 1
14 3778 2 2 1 . C8 C 11.323 -1.262 8.414 1.00 . B A . 101 OCA C8 1 1
14 3779 2 2 1 . H21 H 7.516 -1.443 2.035 1.00 . B A . 101 OCA H21 1 1
14 3780 2 2 1 . H22 H 7.465 -3.174 2.363 1.00 . B A . 101 OCA H22 1 1
14 3781 2 2 1 . H31 H 10.045 -2.696 2.912 1.00 . B A . 101 OCA H31 1 1
14 3782 2 2 1 . H32 H 9.362 -1.117 3.312 1.00 . B A . 101 OCA H32 1 1
14 3783 2 2 1 . H41 H 7.635 -3.055 4.410 1.00 . B A . 101 OCA H41 1 1
14 3784 2 2 1 . H42 H 9.280 -3.550 4.815 1.00 . B A . 101 OCA H42 1 1
14 3785 2 2 1 . H51 H 8.481 -0.699 5.186 1.00 . B A . 101 OCA H51 1 1
14 3786 2 2 1 . H52 H 7.970 -1.901 6.372 1.00 . B A . 101 OCA H52 1 1
14 3787 2 2 1 . H61 H 10.569 -2.551 6.144 1.00 . B A . 101 OCA H61 1 1
14 3788 2 2 1 . H62 H 10.651 -0.823 5.801 1.00 . B A . 101 OCA H62 1 1
14 3789 2 2 1 . H71 H 9.374 -2.073 8.231 1.00 . B A . 101 OCA H71 1 1
14 3790 2 2 1 . H72 H 9.489 -0.342 7.891 1.00 . B A . 101 OCA H72 1 1
14 3791 2 2 1 . H81 H 11.210 -1.352 9.485 1.00 . B A . 101 OCA H81 1 1
14 3792 2 2 1 . H82 H 11.807 -0.326 8.181 1.00 . B A . 101 OCA H82 1 1
14 3793 2 2 1 . H83 H 11.924 -2.080 8.045 1.00 . B A . 101 OCA H83 1 1
14 3794 2 2 1 . O1 O 9.020 -3.745 0.335 1.00 . B A . 101 OCA O1 1 1
15 3795 1 1 1 PRO C C 7.041 0.413 0.148 1.00 . A A . 2 PRO C 1 1
15 3796 1 1 1 PRO CA C 8.516 0.108 0.395 1.00 . A A . 2 PRO CA 1 1
15 3797 1 1 1 PRO CB C 9.398 1.127 -0.317 1.00 . A A . 2 PRO CB 1 1
15 3798 1 1 1 PRO CD C 9.351 -0.925 -1.617 1.00 . A A . 2 PRO CD 1 1
15 3799 1 1 1 PRO CG C 9.610 0.566 -1.690 1.00 . A A . 2 PRO CG 1 1
15 3800 1 1 1 PRO HA H 8.720 0.121 1.455 1.00 . A A . 2 PRO HA 1 1
15 3801 1 1 1 PRO HB2 H 8.890 2.080 -0.353 1.00 . A A . 2 PRO HB2 1 1
15 3802 1 1 1 PRO HB3 H 10.334 1.232 0.212 1.00 . A A . 2 PRO HB3 1 1
15 3803 1 1 1 PRO HD2 H 8.562 -1.205 -2.301 1.00 . A A . 2 PRO HD2 1 1
15 3804 1 1 1 PRO HD3 H 10.255 -1.474 -1.840 1.00 . A A . 2 PRO HD3 1 1
15 3805 1 1 1 PRO HG2 H 8.918 1.028 -2.380 1.00 . A A . 2 PRO HG2 1 1
15 3806 1 1 1 PRO HG3 H 10.625 0.751 -2.005 1.00 . A A . 2 PRO HG3 1 1
15 3807 1 1 1 PRO N N 8.935 -1.147 -0.222 1.00 . A A . 2 PRO N 1 1
15 3808 1 1 1 PRO O O 6.531 1.449 0.569 1.00 . A A . 2 PRO O 1 1
15 3809 1 1 2 CYS C C 4.205 -1.580 -0.345 1.00 . A A . 3 CYS C 1 1
15 3810 1 1 2 CYS CA C 4.958 -0.359 -0.855 1.00 . A A . 3 CYS CA 1 1
15 3811 1 1 2 CYS CB C 4.754 -0.220 -2.368 1.00 . A A . 3 CYS CB 1 1
15 3812 1 1 2 CYS H H 6.846 -1.295 -0.862 1.00 . A A . 3 CYS H 1 1
15 3813 1 1 2 CYS HA H 4.587 0.525 -0.358 1.00 . A A . 3 CYS HA 1 1
15 3814 1 1 2 CYS HB2 H 5.066 -1.134 -2.850 1.00 . A A . 3 CYS HB2 1 1
15 3815 1 1 2 CYS HB3 H 3.707 -0.051 -2.569 1.00 . A A . 3 CYS HB3 1 1
15 3816 1 1 2 CYS N N 6.372 -0.499 -0.547 1.00 . A A . 3 CYS N 1 1
15 3817 1 1 2 CYS O O 4.554 -2.710 -0.680 1.00 . A A . 3 CYS O 1 1
15 3818 1 1 2 CYS SG S 5.691 1.148 -3.127 1.00 . A A . 3 CYS SG 1 1
15 3819 1 1 3 LYS C C 0.915 -2.173 0.788 1.00 . A A . 4 LYS C 1 1
15 3820 1 1 3 LYS CA C 2.393 -2.447 1.014 1.00 . A A . 4 LYS CA 1 1
15 3821 1 1 3 LYS CB C 2.665 -2.611 2.512 1.00 . A A . 4 LYS CB 1 1
15 3822 1 1 3 LYS CD C 2.978 -5.102 2.546 1.00 . A A . 4 LYS CD 1 1
15 3823 1 1 3 LYS CE C 2.562 -6.417 3.184 1.00 . A A . 4 LYS CE 1 1
15 3824 1 1 3 LYS CG C 2.175 -3.929 3.091 1.00 . A A . 4 LYS CG 1 1
15 3825 1 1 3 LYS H H 2.959 -0.431 0.711 1.00 . A A . 4 LYS H 1 1
15 3826 1 1 3 LYS HA H 2.668 -3.354 0.499 1.00 . A A . 4 LYS HA 1 1
15 3827 1 1 3 LYS HB2 H 3.728 -2.542 2.683 1.00 . A A . 4 LYS HB2 1 1
15 3828 1 1 3 LYS HB3 H 2.174 -1.807 3.040 1.00 . A A . 4 LYS HB3 1 1
15 3829 1 1 3 LYS HD2 H 2.821 -5.168 1.481 1.00 . A A . 4 LYS HD2 1 1
15 3830 1 1 3 LYS HD3 H 4.027 -4.930 2.747 1.00 . A A . 4 LYS HD3 1 1
15 3831 1 1 3 LYS HE2 H 3.277 -7.178 2.907 1.00 . A A . 4 LYS HE2 1 1
15 3832 1 1 3 LYS HE3 H 2.566 -6.298 4.257 1.00 . A A . 4 LYS HE3 1 1
15 3833 1 1 3 LYS HG2 H 2.279 -3.900 4.166 1.00 . A A . 4 LYS HG2 1 1
15 3834 1 1 3 LYS HG3 H 1.135 -4.063 2.831 1.00 . A A . 4 LYS HG3 1 1
15 3835 1 1 3 LYS HZ1 H 0.873 -7.627 3.360 1.00 . A A . 4 LYS HZ1 1 1
15 3836 1 1 3 LYS HZ2 H 1.237 -7.191 1.763 1.00 . A A . 4 LYS HZ2 1 1
15 3837 1 1 3 LYS HZ3 H 0.538 -6.063 2.812 1.00 . A A . 4 LYS HZ3 1 1
15 3838 1 1 3 LYS N N 3.187 -1.354 0.471 1.00 . A A . 4 LYS N 1 1
15 3839 1 1 3 LYS NZ N 1.209 -6.850 2.751 1.00 . A A . 4 LYS NZ 1 1
15 3840 1 1 3 LYS O O 0.387 -1.167 1.260 1.00 . A A . 4 LYS O 1 1
15 3841 1 1 4 ASN C C -1.969 -3.944 0.575 1.00 . A A . 5 ASN C 1 1
15 3842 1 1 4 ASN CA C -1.175 -2.881 -0.186 1.00 . A A . 5 ASN CA 1 1
15 3843 1 1 4 ASN CB C -1.466 -3.016 -1.685 1.00 . A A . 5 ASN CB 1 1
15 3844 1 1 4 ASN CG C -0.632 -2.078 -2.546 1.00 . A A . 5 ASN CG 1 1
15 3845 1 1 4 ASN H H 0.720 -3.837 -0.314 1.00 . A A . 5 ASN H 1 1
15 3846 1 1 4 ASN HA H -1.459 -1.896 0.145 1.00 . A A . 5 ASN HA 1 1
15 3847 1 1 4 ASN HB2 H -1.261 -4.030 -1.992 1.00 . A A . 5 ASN HB2 1 1
15 3848 1 1 4 ASN HB3 H -2.509 -2.798 -1.861 1.00 . A A . 5 ASN HB3 1 1
15 3849 1 1 4 ASN HD21 H -0.771 -0.624 -1.195 1.00 . A A . 5 ASN HD21 1 1
15 3850 1 1 4 ASN HD22 H 0.144 -0.256 -2.611 1.00 . A A . 5 ASN HD22 1 1
15 3851 1 1 4 ASN N N 0.247 -3.053 0.059 1.00 . A A . 5 ASN N 1 1
15 3852 1 1 4 ASN ND2 N -0.397 -0.863 -2.070 1.00 . A A . 5 ASN ND2 1 1
15 3853 1 1 4 ASN O O -1.910 -5.125 0.233 1.00 . A A . 5 ASN O 1 1
15 3854 1 1 4 ASN OD1 O -0.215 -2.438 -3.643 1.00 . A A . 5 ASN OD1 1 1
15 3855 1 1 5 . C C -4.805 -4.809 1.525 1.00 . A A . 6 O6H C 1 1
15 3856 1 1 5 . CA C -3.575 -4.441 2.347 1.00 . A A . 6 O6H CA 1 1
15 3857 1 1 5 . CB C -3.996 -3.845 3.696 1.00 . A A . 6 O6H CB 1 1
15 3858 1 1 5 . CD1 C -2.151 -4.429 5.328 1.00 . A A . 6 O6H CD1 1 1
15 3859 1 1 5 . CD2 C -2.412 -2.153 4.678 1.00 . A A . 6 O6H CD2 1 1
15 3860 1 1 5 . CE1 C -1.084 -4.080 6.134 1.00 . A A . 6 O6H CE1 1 1
15 3861 1 1 5 . CE2 C -1.350 -1.790 5.479 1.00 . A A . 6 O6H CE2 1 1
15 3862 1 1 5 . CF1 C -2.568 -5.871 5.256 1.00 . A A . 6 O6H CF1 1 1
15 3863 1 1 5 . CF2 C -3.131 -1.095 3.903 1.00 . A A . 6 O6H CF2 1 1
15 3864 1 1 5 . CG C -2.834 -3.472 4.583 1.00 . A A . 6 O6H CG 1 1
15 3865 1 1 5 . CH C 0.466 -2.366 7.070 1.00 . A A . 6 O6H CH 1 1
15 3866 1 1 5 . CZ C -0.689 -2.758 6.202 1.00 . A A . 6 O6H CZ 1 1
15 3867 1 1 5 . H1 H -2.610 -2.614 1.933 1.00 . A A . 6 O6H H1 1 1
15 3868 1 1 5 . HA H -3.018 -5.347 2.538 1.00 . A A . 6 O6H HA 1 1
15 3869 1 1 5 . HB1 H -4.603 -4.564 4.227 1.00 . A A . 6 O6H HB1 1 1
15 3870 1 1 5 . HB2 H -4.577 -2.952 3.521 1.00 . A A . 6 O6H HB2 1 1
15 3871 1 1 5 . HE1 H -0.564 -4.835 6.708 1.00 . A A . 6 O6H HE1 1 1
15 3872 1 1 5 . HE2 H -1.035 -0.760 5.536 1.00 . A A . 6 O6H HE2 1 1
15 3873 1 1 5 . HF11 H -3.620 -6.006 5.046 1.00 . A A . 6 O6H HF11 1 1
15 3874 1 1 5 . HF12 H -2.388 -6.418 6.171 1.00 . A A . 6 O6H HF12 1 1
15 3875 1 1 5 . HF13 H -2.050 -6.426 4.488 1.00 . A A . 6 O6H HF13 1 1
15 3876 1 1 5 . HF21 H -4.200 -1.224 3.900 1.00 . A A . 6 O6H HF21 1 1
15 3877 1 1 5 . HF22 H -2.846 -1.058 2.861 1.00 . A A . 6 O6H HF22 1 1
15 3878 1 1 5 . HF23 H -2.963 -0.097 4.282 1.00 . A A . 6 O6H HF23 1 1
15 3879 1 1 5 . HH1 H 0.814 -1.360 6.888 1.00 . A A . 6 O6H HH1 1 1
15 3880 1 1 5 . HH2 H 1.332 -2.997 6.938 1.00 . A A . 6 O6H HH2 1 1
15 3881 1 1 5 . HH3 H 0.242 -2.404 8.126 1.00 . A A . 6 O6H HH3 1 1
15 3882 1 1 5 . N N -2.689 -3.537 1.623 1.00 . A A . 6 O6H N 1 1
15 3883 1 1 5 . O O -5.270 -5.945 1.554 1.00 . A A . 6 O6H O 1 1
15 3884 1 1 6 PHE C C -6.595 -4.063 -1.307 1.00 . A A . 7 PHE C 1 1
15 3885 1 1 6 PHE CA C -6.664 -3.953 0.212 1.00 . A A . 7 PHE CA 1 1
15 3886 1 1 6 PHE CB C -7.542 -2.757 0.601 1.00 . A A . 7 PHE CB 1 1
15 3887 1 1 6 PHE CD1 C -7.800 -3.327 3.037 1.00 . A A . 7 PHE CD1 1 1
15 3888 1 1 6 PHE CD2 C -7.075 -1.132 2.455 1.00 . A A . 7 PHE CD2 1 1
15 3889 1 1 6 PHE CE1 C -7.729 -2.997 4.378 1.00 . A A . 7 PHE CE1 1 1
15 3890 1 1 6 PHE CE2 C -7.006 -0.795 3.793 1.00 . A A . 7 PHE CE2 1 1
15 3891 1 1 6 PHE CG C -7.472 -2.400 2.061 1.00 . A A . 7 PHE CG 1 1
15 3892 1 1 6 PHE CZ C -7.332 -1.730 4.755 1.00 . A A . 7 PHE CZ 1 1
15 3893 1 1 6 PHE H H -4.838 -2.997 0.688 1.00 . A A . 7 PHE H 1 1
15 3894 1 1 6 PHE HA H -7.115 -4.853 0.603 1.00 . A A . 7 PHE HA 1 1
15 3895 1 1 6 PHE HB2 H -7.229 -1.892 0.036 1.00 . A A . 7 PHE HB2 1 1
15 3896 1 1 6 PHE HB3 H -8.572 -2.982 0.361 1.00 . A A . 7 PHE HB3 1 1
15 3897 1 1 6 PHE HD1 H -8.111 -4.319 2.744 1.00 . A A . 7 PHE HD1 1 1
15 3898 1 1 6 PHE HD2 H -6.820 -0.400 1.703 1.00 . A A . 7 PHE HD2 1 1
15 3899 1 1 6 PHE HE1 H -7.987 -3.730 5.129 1.00 . A A . 7 PHE HE1 1 1
15 3900 1 1 6 PHE HE2 H -6.696 0.197 4.086 1.00 . A A . 7 PHE HE2 1 1
15 3901 1 1 6 PHE HZ H -7.275 -1.471 5.801 1.00 . A A . 7 PHE HZ 1 1
15 3902 1 1 6 PHE N N -5.340 -3.826 0.811 1.00 . A A . 7 PHE N 1 1
15 3903 1 1 6 PHE O O -7.551 -4.502 -1.945 1.00 . A A . 7 PHE O 1 1
15 3904 1 1 7 DTR C C -4.843 -2.265 -3.837 1.00 . A A . 8 DTR C 1 1
15 3905 1 1 7 DTR CA C -5.351 -3.625 -3.330 1.00 . A A . 8 DTR CA 1 1
15 3906 1 1 7 DTR CB C -4.443 -4.754 -3.832 1.00 . A A . 8 DTR CB 1 1
15 3907 1 1 7 DTR CD1 C -5.283 -4.948 -6.237 1.00 . A A . 8 DTR CD1 1 1
15 3908 1 1 7 DTR CD2 C -3.124 -4.392 -6.056 1.00 . A A . 8 DTR CD2 1 1
15 3909 1 1 7 DTR CE2 C -3.465 -4.439 -7.416 1.00 . A A . 8 DTR CE2 1 1
15 3910 1 1 7 DTR CE3 C -1.811 -4.065 -5.701 1.00 . A A . 8 DTR CE3 1 1
15 3911 1 1 7 DTR CG C -4.303 -4.715 -5.317 1.00 . A A . 8 DTR CG 1 1
15 3912 1 1 7 DTR CH2 C -1.276 -3.845 -8.050 1.00 . A A . 8 DTR CH2 1 1
15 3913 1 1 7 DTR CZ2 C -2.552 -4.164 -8.421 1.00 . A A . 8 DTR CZ2 1 1
15 3914 1 1 7 DTR CZ3 C -0.899 -3.798 -6.704 1.00 . A A . 8 DTR CZ3 1 1
15 3915 1 1 7 DTR H H -4.736 -3.338 -1.334 1.00 . A A . 8 DTR H 1 1
15 3916 1 1 7 DTR HA H -6.329 -3.831 -3.747 1.00 . A A . 8 DTR HA 1 1
15 3917 1 1 7 DTR HB2 H -3.461 -4.653 -3.392 1.00 . A A . 8 DTR HB2 1 1
15 3918 1 1 7 DTR HB3 H -4.867 -5.709 -3.557 1.00 . A A . 8 DTR HB3 1 1
15 3919 1 1 7 DTR HD1 H -6.298 -5.218 -5.990 1.00 . A A . 8 DTR HD1 1 1
15 3920 1 1 7 DTR HE1 H -5.297 -4.885 -8.339 1.00 . A A . 8 DTR HE1 1 1
15 3921 1 1 7 DTR HE3 H -1.505 -4.028 -4.665 1.00 . A A . 8 DTR HE3 1 1
15 3922 1 1 7 DTR HH2 H -0.533 -3.630 -8.802 1.00 . A A . 8 DTR HH2 1 1
15 3923 1 1 7 DTR HZ2 H -2.832 -4.181 -9.459 1.00 . A A . 8 DTR HZ2 1 1
15 3924 1 1 7 DTR HZ3 H 0.120 -3.543 -6.449 1.00 . A A . 8 DTR HZ3 1 1
15 3925 1 1 7 DTR N N -5.483 -3.641 -1.887 1.00 . A A . 8 DTR N 1 1
15 3926 1 1 7 DTR NE1 N -4.787 -4.777 -7.501 1.00 . A A . 8 DTR NE1 1 1
15 3927 1 1 7 DTR O O -3.867 -1.738 -3.307 1.00 . A A . 8 DTR O 1 1
15 3928 1 1 8 LYS C C -5.713 0.757 -4.711 1.00 . A A . 9 LYS C 1 1
15 3929 1 1 8 LYS CA C -5.060 -0.421 -5.420 1.00 . A A . 9 LYS CA 1 1
15 3930 1 1 8 LYS CB C -5.389 -0.362 -6.919 1.00 . A A . 9 LYS CB 1 1
15 3931 1 1 8 LYS CD C -4.848 -0.968 -9.271 1.00 . A A . 9 LYS CD 1 1
15 3932 1 1 8 LYS CE C -3.772 -1.475 -10.217 1.00 . A A . 9 LYS CE 1 1
15 3933 1 1 8 LYS CG C -4.484 -1.188 -7.811 1.00 . A A . 9 LYS CG 1 1
15 3934 1 1 8 LYS H H -6.337 -2.095 -5.184 1.00 . A A . 9 LYS H 1 1
15 3935 1 1 8 LYS HA H -3.990 -0.359 -5.292 1.00 . A A . 9 LYS HA 1 1
15 3936 1 1 8 LYS HB2 H -6.400 -0.703 -7.065 1.00 . A A . 9 LYS HB2 1 1
15 3937 1 1 8 LYS HB3 H -5.318 0.658 -7.248 1.00 . A A . 9 LYS HB3 1 1
15 3938 1 1 8 LYS HD2 H -5.770 -1.489 -9.483 1.00 . A A . 9 LYS HD2 1 1
15 3939 1 1 8 LYS HD3 H -4.989 0.091 -9.436 1.00 . A A . 9 LYS HD3 1 1
15 3940 1 1 8 LYS HE2 H -3.593 -2.517 -10.012 1.00 . A A . 9 LYS HE2 1 1
15 3941 1 1 8 LYS HE3 H -4.126 -1.366 -11.233 1.00 . A A . 9 LYS HE3 1 1
15 3942 1 1 8 LYS HG2 H -3.458 -0.891 -7.649 1.00 . A A . 9 LYS HG2 1 1
15 3943 1 1 8 LYS HG3 H -4.606 -2.233 -7.570 1.00 . A A . 9 LYS HG3 1 1
15 3944 1 1 8 LYS HZ1 H -1.813 -1.030 -10.795 1.00 . A A . 9 LYS HZ1 1 1
15 3945 1 1 8 LYS HZ2 H -2.077 -0.897 -9.131 1.00 . A A . 9 LYS HZ2 1 1
15 3946 1 1 8 LYS HZ3 H -2.662 0.300 -10.174 1.00 . A A . 9 LYS HZ3 1 1
15 3947 1 1 8 LYS N N -5.511 -1.682 -4.836 1.00 . A A . 9 LYS N 1 1
15 3948 1 1 8 LYS NZ N -2.496 -0.724 -10.068 1.00 . A A . 9 LYS NZ 1 1
15 3949 1 1 8 LYS O O -5.457 1.916 -5.035 1.00 . A A . 9 LYS O 1 1
15 3950 1 1 9 THR C C -6.427 2.145 -1.944 1.00 . A A . 10 THR C 1 1
15 3951 1 1 9 THR CA C -7.294 1.463 -3.007 1.00 . A A . 10 THR CA 1 1
15 3952 1 1 9 THR CB C -8.519 0.835 -2.326 1.00 . A A . 10 THR CB 1 1
15 3953 1 1 9 THR CG2 C -9.635 1.853 -2.178 1.00 . A A . 10 THR CG2 1 1
15 3954 1 1 9 THR H H -6.688 -0.499 -3.507 1.00 . A A . 10 THR H 1 1
15 3955 1 1 9 THR HA H -7.636 2.203 -3.718 1.00 . A A . 10 THR HA 1 1
15 3956 1 1 9 THR HB H -8.233 0.483 -1.346 1.00 . A A . 10 THR HB 1 1
15 3957 1 1 9 THR HG1 H -9.539 0.058 -3.836 1.00 . A A . 10 THR HG1 1 1
15 3958 1 1 9 THR HG21 H -9.917 2.222 -3.153 1.00 . A A . 10 THR HG21 1 1
15 3959 1 1 9 THR HG22 H -9.294 2.675 -1.566 1.00 . A A . 10 THR HG22 1 1
15 3960 1 1 9 THR HG23 H -10.489 1.386 -1.710 1.00 . A A . 10 THR HG23 1 1
15 3961 1 1 9 THR N N -6.546 0.446 -3.731 1.00 . A A . 10 THR N 1 1
15 3962 1 1 9 THR O O -6.725 3.253 -1.503 1.00 . A A . 10 THR O 1 1
15 3963 1 1 9 THR OG1 O -8.988 -0.273 -3.108 1.00 . A A . 10 THR OG1 1 1
15 3964 1 1 10 PHE C C -2.994 1.946 -1.044 1.00 . A A . 11 PHE C 1 1
15 3965 1 1 10 PHE CA C -4.453 2.025 -0.532 1.00 . A A . 11 PHE CA 1 1
15 3966 1 1 10 PHE CB C -4.583 1.208 0.759 1.00 . A A . 11 PHE CB 1 1
15 3967 1 1 10 PHE CD1 C -2.522 1.681 2.123 1.00 . A A . 11 PHE CD1 1 1
15 3968 1 1 10 PHE CD2 C -4.614 2.519 2.902 1.00 . A A . 11 PHE CD2 1 1
15 3969 1 1 10 PHE CE1 C -1.889 2.229 3.221 1.00 . A A . 11 PHE CE1 1 1
15 3970 1 1 10 PHE CE2 C -3.983 3.073 4.001 1.00 . A A . 11 PHE CE2 1 1
15 3971 1 1 10 PHE CG C -3.890 1.818 1.948 1.00 . A A . 11 PHE CG 1 1
15 3972 1 1 10 PHE CZ C -2.620 2.927 4.162 1.00 . A A . 11 PHE CZ 1 1
15 3973 1 1 10 PHE H H -5.141 0.617 -1.948 1.00 . A A . 11 PHE H 1 1
15 3974 1 1 10 PHE HA H -4.757 3.039 -0.324 1.00 . A A . 11 PHE HA 1 1
15 3975 1 1 10 PHE HB2 H -5.629 1.103 1.004 1.00 . A A . 11 PHE HB2 1 1
15 3976 1 1 10 PHE HB3 H -4.161 0.228 0.595 1.00 . A A . 11 PHE HB3 1 1
15 3977 1 1 10 PHE HD1 H -1.946 1.141 1.384 1.00 . A A . 11 PHE HD1 1 1
15 3978 1 1 10 PHE HD2 H -5.680 2.635 2.778 1.00 . A A . 11 PHE HD2 1 1
15 3979 1 1 10 PHE HE1 H -0.823 2.114 3.343 1.00 . A A . 11 PHE HE1 1 1
15 3980 1 1 10 PHE HE2 H -4.558 3.618 4.736 1.00 . A A . 11 PHE HE2 1 1
15 3981 1 1 10 PHE HZ H -2.126 3.354 5.020 1.00 . A A . 11 PHE HZ 1 1
15 3982 1 1 10 PHE N N -5.351 1.482 -1.542 1.00 . A A . 11 PHE N 1 1
15 3983 1 1 10 PHE O O -2.469 0.840 -1.155 1.00 . A A . 11 PHE O 1 1
15 3984 1 1 11 THR C C -0.049 3.876 -0.968 1.00 . A A . 12 THR C 1 1
15 3985 1 1 11 THR CA C -0.937 2.975 -1.812 1.00 . A A . 12 THR CA 1 1
15 3986 1 1 11 THR CB C -0.787 3.359 -3.298 1.00 . A A . 12 THR CB 1 1
15 3987 1 1 11 THR CG2 C 0.652 3.173 -3.765 1.00 . A A . 12 THR CG2 1 1
15 3988 1 1 11 THR H H -2.741 3.948 -1.367 1.00 . A A . 12 THR H 1 1
15 3989 1 1 11 THR HA H -0.615 1.952 -1.692 1.00 . A A . 12 THR HA 1 1
15 3990 1 1 11 THR HB H -1.058 4.399 -3.417 1.00 . A A . 12 THR HB 1 1
15 3991 1 1 11 THR HG1 H -2.219 2.020 -3.522 1.00 . A A . 12 THR HG1 1 1
15 3992 1 1 11 THR HG21 H 0.732 3.450 -4.806 1.00 . A A . 12 THR HG21 1 1
15 3993 1 1 11 THR HG22 H 0.939 2.139 -3.644 1.00 . A A . 12 THR HG22 1 1
15 3994 1 1 11 THR HG23 H 1.304 3.801 -3.180 1.00 . A A . 12 THR HG23 1 1
15 3995 1 1 11 THR N N -2.320 3.064 -1.383 1.00 . A A . 12 THR N 1 1
15 3996 1 1 11 THR O O -0.131 5.100 -1.051 1.00 . A A . 12 THR O 1 1
15 3997 1 1 11 THR OG1 O -1.660 2.553 -4.099 1.00 . A A . 12 THR OG1 1 1
15 3998 1 1 12 SER C C 3.162 3.515 0.313 1.00 . A A . 13 SER C 1 1
15 3999 1 1 12 SER CA C 1.752 3.997 0.647 1.00 . A A . 13 SER CA 1 1
15 4000 1 1 12 SER CB C 1.470 3.816 2.140 1.00 . A A . 13 SER CB 1 1
15 4001 1 1 12 SER H H 0.738 2.288 -0.052 1.00 . A A . 13 SER H 1 1
15 4002 1 1 12 SER HA H 1.656 5.044 0.398 1.00 . A A . 13 SER HA 1 1
15 4003 1 1 12 SER HB2 H 1.518 2.767 2.390 1.00 . A A . 13 SER HB2 1 1
15 4004 1 1 12 SER HB3 H 2.207 4.359 2.711 1.00 . A A . 13 SER HB3 1 1
15 4005 1 1 12 SER HG H -0.010 5.083 1.933 1.00 . A A . 13 SER HG 1 1
15 4006 1 1 12 SER N N 0.782 3.264 -0.141 1.00 . A A . 13 SER N 1 1
15 4007 1 1 12 SER O O 3.475 2.338 0.499 1.00 . A A . 13 SER O 1 1
15 4008 1 1 12 SER OG O 0.183 4.303 2.471 1.00 . A A . 13 SER OG 1 1
15 4009 1 1 13 CYS C C 6.310 5.105 0.051 1.00 . A A . 14 CYS C 1 1
15 4010 1 1 13 CYS CA C 5.370 4.068 -0.539 1.00 . A A . 14 CYS CA 1 1
15 4011 1 1 13 CYS CB C 5.562 3.982 -2.057 1.00 . A A . 14 CYS CB 1 1
15 4012 1 1 13 CYS H H 3.690 5.322 -0.377 1.00 . A A . 14 CYS H 1 1
15 4013 1 1 13 CYS HA H 5.590 3.108 -0.100 1.00 . A A . 14 CYS HA 1 1
15 4014 1 1 13 CYS HB2 H 5.358 4.947 -2.494 1.00 . A A . 14 CYS HB2 1 1
15 4015 1 1 13 CYS HB3 H 6.585 3.707 -2.268 1.00 . A A . 14 CYS HB3 1 1
15 4016 1 1 13 CYS N N 3.997 4.409 -0.212 1.00 . A A . 14 CYS N 1 1
15 4017 1 1 13 CYS O O 6.327 6.256 -0.387 1.00 . A A . 14 CYS O 1 1
15 4018 1 1 13 CYS SG S 4.485 2.762 -2.882 1.00 . A A . 14 CYS SG 1 1
15 4019 1 1 14 LYS C C 9.190 4.851 2.248 1.00 . A A . 15 LYS C 1 1
15 4020 1 1 14 LYS CA C 7.972 5.615 1.741 1.00 . A A . 15 LYS CA 1 1
15 4021 1 1 14 LYS CB C 7.255 6.300 2.906 1.00 . A A . 15 LYS CB 1 1
15 4022 1 1 14 LYS CD C 7.799 8.681 2.336 1.00 . A A . 15 LYS CD 1 1
15 4023 1 1 14 LYS CE C 8.379 9.993 2.838 1.00 . A A . 15 LYS CE 1 1
15 4024 1 1 14 LYS CG C 7.926 7.579 3.378 1.00 . A A . 15 LYS CG 1 1
15 4025 1 1 14 LYS H H 7.005 3.773 1.364 1.00 . A A . 15 LYS H 1 1
15 4026 1 1 14 LYS HA H 8.294 6.362 1.031 1.00 . A A . 15 LYS HA 1 1
15 4027 1 1 14 LYS HB2 H 6.247 6.537 2.601 1.00 . A A . 15 LYS HB2 1 1
15 4028 1 1 14 LYS HB3 H 7.215 5.612 3.738 1.00 . A A . 15 LYS HB3 1 1
15 4029 1 1 14 LYS HD2 H 8.329 8.382 1.445 1.00 . A A . 15 LYS HD2 1 1
15 4030 1 1 14 LYS HD3 H 6.754 8.826 2.106 1.00 . A A . 15 LYS HD3 1 1
15 4031 1 1 14 LYS HE2 H 7.904 10.245 3.774 1.00 . A A . 15 LYS HE2 1 1
15 4032 1 1 14 LYS HE3 H 9.440 9.866 2.997 1.00 . A A . 15 LYS HE3 1 1
15 4033 1 1 14 LYS HG2 H 7.455 7.904 4.293 1.00 . A A . 15 LYS HG2 1 1
15 4034 1 1 14 LYS HG3 H 8.974 7.383 3.558 1.00 . A A . 15 LYS HG3 1 1
15 4035 1 1 14 LYS HZ1 H 7.147 11.201 1.654 1.00 . A A . 15 LYS HZ1 1 1
15 4036 1 1 14 LYS HZ2 H 8.683 10.928 0.989 1.00 . A A . 15 LYS HZ2 1 1
15 4037 1 1 14 LYS HZ3 H 8.500 12.004 2.287 1.00 . A A . 15 LYS HZ3 1 1
15 4038 1 1 14 LYS N N 7.064 4.705 1.062 1.00 . A A . 15 LYS N 1 1
15 4039 1 1 14 LYS NZ N 8.163 11.106 1.876 1.00 . A A . 15 LYS NZ 1 1
15 4040 1 1 14 LYS O O 9.080 4.183 3.297 1.00 . A A . 15 LYS O 1 1
15 4041 1 1 14 LYS OXT O 10.247 4.903 1.584 1.00 . A A . 15 LYS OXT 1 1
15 4042 2 2 1 . C1 C 8.975 -2.341 0.417 1.00 . B A . 101 OCA C1 1 1
15 4043 2 2 1 . C2 C 8.600 -2.193 1.889 1.00 . B A . 101 OCA C2 1 1
15 4044 2 2 1 . C3 C 7.107 -2.357 2.150 1.00 . B A . 101 OCA C3 1 1
15 4045 2 2 1 . C4 C 6.795 -3.709 2.767 1.00 . B A . 101 OCA C4 1 1
15 4046 2 2 1 . C5 C 6.495 -3.590 4.253 1.00 . B A . 101 OCA C5 1 1
15 4047 2 2 1 . C6 C 6.647 -4.926 4.965 1.00 . B A . 101 OCA C6 1 1
15 4048 2 2 1 . C7 C 8.106 -5.243 5.262 1.00 . B A . 101 OCA C7 1 1
15 4049 2 2 1 . C8 C 8.255 -6.567 5.978 1.00 . B A . 101 OCA C8 1 1
15 4050 2 2 1 . H21 H 8.901 -1.210 2.222 1.00 . B A . 101 OCA H21 1 1
15 4051 2 2 1 . H22 H 9.133 -2.942 2.453 1.00 . B A . 101 OCA H22 1 1
15 4052 2 2 1 . H31 H 6.575 -2.268 1.214 1.00 . B A . 101 OCA H31 1 1
15 4053 2 2 1 . H32 H 6.783 -1.580 2.825 1.00 . B A . 101 OCA H32 1 1
15 4054 2 2 1 . H41 H 7.645 -4.360 2.632 1.00 . B A . 101 OCA H41 1 1
15 4055 2 2 1 . H42 H 5.933 -4.130 2.268 1.00 . B A . 101 OCA H42 1 1
15 4056 2 2 1 . H51 H 7.180 -2.880 4.692 1.00 . B A . 101 OCA H51 1 1
15 4057 2 2 1 . H52 H 5.481 -3.239 4.378 1.00 . B A . 101 OCA H52 1 1
15 4058 2 2 1 . H61 H 6.101 -4.887 5.895 1.00 . B A . 101 OCA H61 1 1
15 4059 2 2 1 . H62 H 6.238 -5.704 4.337 1.00 . B A . 101 OCA H62 1 1
15 4060 2 2 1 . H71 H 8.518 -4.467 5.889 1.00 . B A . 101 OCA H71 1 1
15 4061 2 2 1 . H72 H 8.653 -5.293 4.332 1.00 . B A . 101 OCA H72 1 1
15 4062 2 2 1 . H81 H 7.278 -6.990 6.159 1.00 . B A . 101 OCA H81 1 1
15 4063 2 2 1 . H82 H 8.761 -6.413 6.918 1.00 . B A . 101 OCA H82 1 1
15 4064 2 2 1 . H83 H 8.832 -7.246 5.366 1.00 . B A . 101 OCA H83 1 1
15 4065 2 2 1 . O1 O 9.218 -3.421 -0.123 1.00 . B A . 101 OCA O1 1 1
16 4066 1 1 1 PRO C C 7.277 0.461 0.309 1.00 . A A . 2 PRO C 1 1
16 4067 1 1 1 PRO CA C 8.731 0.091 0.597 1.00 . A A . 2 PRO CA 1 1
16 4068 1 1 1 PRO CB C 9.678 0.984 -0.197 1.00 . A A . 2 PRO CB 1 1
16 4069 1 1 1 PRO CD C 9.475 -1.170 -1.313 1.00 . A A . 2 PRO CD 1 1
16 4070 1 1 1 PRO CG C 9.886 0.278 -1.503 1.00 . A A . 2 PRO CG 1 1
16 4071 1 1 1 PRO HA H 8.932 0.189 1.653 1.00 . A A . 2 PRO HA 1 1
16 4072 1 1 1 PRO HB2 H 9.221 1.953 -0.341 1.00 . A A . 2 PRO HB2 1 1
16 4073 1 1 1 PRO HB3 H 10.607 1.096 0.341 1.00 . A A . 2 PRO HB3 1 1
16 4074 1 1 1 PRO HD2 H 8.644 -1.412 -1.959 1.00 . A A . 2 PRO HD2 1 1
16 4075 1 1 1 PRO HD3 H 10.310 -1.826 -1.508 1.00 . A A . 2 PRO HD3 1 1
16 4076 1 1 1 PRO HG2 H 9.274 0.737 -2.265 1.00 . A A . 2 PRO HG2 1 1
16 4077 1 1 1 PRO HG3 H 10.927 0.333 -1.782 1.00 . A A . 2 PRO HG3 1 1
16 4078 1 1 1 PRO N N 9.074 -1.238 0.099 1.00 . A A . 2 PRO N 1 1
16 4079 1 1 1 PRO O O 6.803 1.522 0.707 1.00 . A A . 2 PRO O 1 1
16 4080 1 1 2 CYS C C 4.358 -1.381 -0.286 1.00 . A A . 3 CYS C 1 1
16 4081 1 1 2 CYS CA C 5.196 -0.200 -0.754 1.00 . A A . 3 CYS CA 1 1
16 4082 1 1 2 CYS CB C 5.056 -0.034 -2.271 1.00 . A A . 3 CYS CB 1 1
16 4083 1 1 2 CYS H H 7.026 -1.245 -0.689 1.00 . A A . 3 CYS H 1 1
16 4084 1 1 2 CYS HA H 4.855 0.697 -0.260 1.00 . A A . 3 CYS HA 1 1
16 4085 1 1 2 CYS HB2 H 5.250 -0.983 -2.749 1.00 . A A . 3 CYS HB2 1 1
16 4086 1 1 2 CYS HB3 H 4.047 0.276 -2.499 1.00 . A A . 3 CYS HB3 1 1
16 4087 1 1 2 CYS N N 6.586 -0.419 -0.398 1.00 . A A . 3 CYS N 1 1
16 4088 1 1 2 CYS O O 4.651 -2.527 -0.630 1.00 . A A . 3 CYS O 1 1
16 4089 1 1 2 CYS SG S 6.192 1.192 -3.003 1.00 . A A . 3 CYS SG 1 1
16 4090 1 1 3 LYS C C 0.997 -1.808 0.750 1.00 . A A . 4 LYS C 1 1
16 4091 1 1 3 LYS CA C 2.453 -2.164 0.990 1.00 . A A . 4 LYS CA 1 1
16 4092 1 1 3 LYS CB C 2.702 -2.431 2.478 1.00 . A A . 4 LYS CB 1 1
16 4093 1 1 3 LYS CD C 2.265 -4.125 4.291 1.00 . A A . 4 LYS CD 1 1
16 4094 1 1 3 LYS CE C 3.403 -5.033 3.846 1.00 . A A . 4 LYS CE 1 1
16 4095 1 1 3 LYS CG C 1.672 -3.350 3.124 1.00 . A A . 4 LYS CG 1 1
16 4096 1 1 3 LYS H H 3.151 -0.179 0.762 1.00 . A A . 4 LYS H 1 1
16 4097 1 1 3 LYS HA H 2.681 -3.061 0.434 1.00 . A A . 4 LYS HA 1 1
16 4098 1 1 3 LYS HB2 H 3.676 -2.884 2.591 1.00 . A A . 4 LYS HB2 1 1
16 4099 1 1 3 LYS HB3 H 2.689 -1.488 3.007 1.00 . A A . 4 LYS HB3 1 1
16 4100 1 1 3 LYS HD2 H 2.643 -3.422 5.019 1.00 . A A . 4 LYS HD2 1 1
16 4101 1 1 3 LYS HD3 H 1.489 -4.728 4.742 1.00 . A A . 4 LYS HD3 1 1
16 4102 1 1 3 LYS HE2 H 4.191 -4.421 3.433 1.00 . A A . 4 LYS HE2 1 1
16 4103 1 1 3 LYS HE3 H 3.777 -5.565 4.708 1.00 . A A . 4 LYS HE3 1 1
16 4104 1 1 3 LYS HG2 H 0.851 -2.749 3.490 1.00 . A A . 4 LYS HG2 1 1
16 4105 1 1 3 LYS HG3 H 1.303 -4.047 2.385 1.00 . A A . 4 LYS HG3 1 1
16 4106 1 1 3 LYS HZ1 H 3.774 -6.624 2.538 1.00 . A A . 4 LYS HZ1 1 1
16 4107 1 1 3 LYS HZ2 H 2.614 -5.528 1.970 1.00 . A A . 4 LYS HZ2 1 1
16 4108 1 1 3 LYS HZ3 H 2.210 -6.626 3.195 1.00 . A A . 4 LYS HZ3 1 1
16 4109 1 1 3 LYS N N 3.330 -1.110 0.503 1.00 . A A . 4 LYS N 1 1
16 4110 1 1 3 LYS NZ N 2.969 -6.019 2.817 1.00 . A A . 4 LYS NZ 1 1
16 4111 1 1 3 LYS O O 0.516 -0.773 1.212 1.00 . A A . 4 LYS O 1 1
16 4112 1 1 4 ASN C C -1.899 -3.566 0.488 1.00 . A A . 5 ASN C 1 1
16 4113 1 1 4 ASN CA C -1.119 -2.465 -0.235 1.00 . A A . 5 ASN CA 1 1
16 4114 1 1 4 ASN CB C -1.441 -2.524 -1.743 1.00 . A A . 5 ASN CB 1 1
16 4115 1 1 4 ASN CG C -0.764 -1.439 -2.581 1.00 . A A . 5 ASN CG 1 1
16 4116 1 1 4 ASN H H 0.749 -3.458 -0.358 1.00 . A A . 5 ASN H 1 1
16 4117 1 1 4 ASN HA H -1.396 -1.496 0.152 1.00 . A A . 5 ASN HA 1 1
16 4118 1 1 4 ASN HB2 H -1.129 -3.484 -2.127 1.00 . A A . 5 ASN HB2 1 1
16 4119 1 1 4 ASN HB3 H -2.510 -2.429 -1.869 1.00 . A A . 5 ASN HB3 1 1
16 4120 1 1 4 ASN HD21 H 0.858 -1.481 -1.441 1.00 . A A . 5 ASN HD21 1 1
16 4121 1 1 4 ASN HD22 H 0.893 -0.367 -2.756 1.00 . A A . 5 ASN HD22 1 1
16 4122 1 1 4 ASN N N 0.301 -2.662 0.011 1.00 . A A . 5 ASN N 1 1
16 4123 1 1 4 ASN ND2 N 0.451 -1.055 -2.223 1.00 . A A . 5 ASN ND2 1 1
16 4124 1 1 4 ASN O O -1.823 -4.728 0.095 1.00 . A A . 5 ASN O 1 1
16 4125 1 1 4 ASN OD1 O -1.324 -0.968 -3.570 1.00 . A A . 5 ASN OD1 1 1
16 4126 1 1 5 . C C -4.587 -4.732 1.545 1.00 . A A . 6 O6H C 1 1
16 4127 1 1 5 . CA C -3.380 -4.212 2.319 1.00 . A A . 6 O6H CA 1 1
16 4128 1 1 5 . CB C -3.830 -3.662 3.679 1.00 . A A . 6 O6H CB 1 1
16 4129 1 1 5 . CD1 C -2.413 -1.918 4.811 1.00 . A A . 6 O6H CD1 1 1
16 4130 1 1 5 . CD2 C -1.895 -4.206 5.225 1.00 . A A . 6 O6H CD2 1 1
16 4131 1 1 5 . CE1 C -1.376 -1.526 5.633 1.00 . A A . 6 O6H CE1 1 1
16 4132 1 1 5 . CE2 C -0.853 -3.826 6.054 1.00 . A A . 6 O6H CE2 1 1
16 4133 1 1 5 . CF1 C -3.254 -0.867 4.156 1.00 . A A . 6 O6H CF1 1 1
16 4134 1 1 5 . CF2 C -2.158 -5.670 5.017 1.00 . A A . 6 O6H CF2 1 1
16 4135 1 1 5 . CG C -2.695 -3.258 4.588 1.00 . A A . 6 O6H CG 1 1
16 4136 1 1 5 . CH C 0.528 -2.060 7.145 1.00 . A A . 6 O6H CH 1 1
16 4137 1 1 5 . CZ C -0.600 -2.484 6.253 1.00 . A A . 6 O6H CZ 1 1
16 4138 1 1 5 . H1 H -2.634 -2.288 1.853 1.00 . A A . 6 O6H H1 1 1
16 4139 1 1 5 . HA H -2.717 -5.045 2.497 1.00 . A A . 6 O6H HA 1 1
16 4140 1 1 5 . HB1 H -4.411 -4.417 4.189 1.00 . A A . 6 O6H HB1 1 1
16 4141 1 1 5 . HB2 H -4.449 -2.792 3.517 1.00 . A A . 6 O6H HB2 1 1
16 4142 1 1 5 . HE1 H -1.174 -0.477 5.791 1.00 . A A . 6 O6H HE1 1 1
16 4143 1 1 5 . HE2 H -0.242 -4.573 6.541 1.00 . A A . 6 O6H HE2 1 1
16 4144 1 1 5 . HF11 H -2.674 -0.101 3.662 1.00 . A A . 6 O6H HF11 1 1
16 4145 1 1 5 . HF12 H -3.892 -0.341 4.848 1.00 . A A . 6 O6H HF12 1 1
16 4146 1 1 5 . HF13 H -3.914 -1.260 3.397 1.00 . A A . 6 O6H HF13 1 1
16 4147 1 1 5 . HF21 H -2.563 -5.897 4.041 1.00 . A A . 6 O6H HF21 1 1
16 4148 1 1 5 . HF22 H -2.864 -6.084 5.722 1.00 . A A . 6 O6H HF22 1 1
16 4149 1 1 5 . HF23 H -1.273 -6.280 5.108 1.00 . A A . 6 O6H HF23 1 1
16 4150 1 1 5 . HH1 H 1.503 -2.260 6.726 1.00 . A A . 6 O6H HH1 1 1
16 4151 1 1 5 . HH2 H 0.522 -2.551 8.106 1.00 . A A . 6 O6H HH2 1 1
16 4152 1 1 5 . HH3 H 0.524 -1.001 7.365 1.00 . A A . 6 O6H HH3 1 1
16 4153 1 1 5 . N N -2.618 -3.220 1.559 1.00 . A A . 6 O6H N 1 1
16 4154 1 1 5 . O O -4.923 -5.915 1.617 1.00 . A A . 6 O6H O 1 1
16 4155 1 1 6 PHE C C -6.470 -4.234 -1.271 1.00 . A A . 7 PHE C 1 1
16 4156 1 1 6 PHE CA C -6.560 -4.152 0.245 1.00 . A A . 7 PHE CA 1 1
16 4157 1 1 6 PHE CB C -7.602 -3.103 0.647 1.00 . A A . 7 PHE CB 1 1
16 4158 1 1 6 PHE CD1 C -7.579 -3.502 3.127 1.00 . A A . 7 PHE CD1 1 1
16 4159 1 1 6 PHE CD2 C -7.143 -1.298 2.324 1.00 . A A . 7 PHE CD2 1 1
16 4160 1 1 6 PHE CE1 C -7.409 -3.065 4.426 1.00 . A A . 7 PHE CE1 1 1
16 4161 1 1 6 PHE CE2 C -6.980 -0.854 3.622 1.00 . A A . 7 PHE CE2 1 1
16 4162 1 1 6 PHE CG C -7.445 -2.624 2.062 1.00 . A A . 7 PHE CG 1 1
16 4163 1 1 6 PHE CZ C -7.112 -1.740 4.674 1.00 . A A . 7 PHE CZ 1 1
16 4164 1 1 6 PHE H H -4.891 -2.937 0.723 1.00 . A A . 7 PHE H 1 1
16 4165 1 1 6 PHE HA H -6.870 -5.113 0.626 1.00 . A A . 7 PHE HA 1 1
16 4166 1 1 6 PHE HB2 H -7.513 -2.249 -0.006 1.00 . A A . 7 PHE HB2 1 1
16 4167 1 1 6 PHE HB3 H -8.590 -3.528 0.545 1.00 . A A . 7 PHE HB3 1 1
16 4168 1 1 6 PHE HD1 H -7.814 -4.540 2.933 1.00 . A A . 7 PHE HD1 1 1
16 4169 1 1 6 PHE HD2 H -7.040 -0.606 1.502 1.00 . A A . 7 PHE HD2 1 1
16 4170 1 1 6 PHE HE1 H -7.516 -3.759 5.248 1.00 . A A . 7 PHE HE1 1 1
16 4171 1 1 6 PHE HE2 H -6.751 0.183 3.813 1.00 . A A . 7 PHE HE2 1 1
16 4172 1 1 6 PHE HZ H -6.970 -1.397 5.687 1.00 . A A . 7 PHE HZ 1 1
16 4173 1 1 6 PHE N N -5.265 -3.833 0.841 1.00 . A A . 7 PHE N 1 1
16 4174 1 1 6 PHE O O -7.345 -4.796 -1.928 1.00 . A A . 7 PHE O 1 1
16 4175 1 1 7 DTR C C -4.975 -2.190 -3.758 1.00 . A A . 8 DTR C 1 1
16 4176 1 1 7 DTR CA C -5.252 -3.610 -3.264 1.00 . A A . 8 DTR CA 1 1
16 4177 1 1 7 DTR CB C -4.118 -4.558 -3.684 1.00 . A A . 8 DTR CB 1 1
16 4178 1 1 7 DTR CD1 C -2.603 -4.121 -5.702 1.00 . A A . 8 DTR CD1 1 1
16 4179 1 1 7 DTR CD2 C -4.673 -4.781 -6.239 1.00 . A A . 8 DTR CD2 1 1
16 4180 1 1 7 DTR CE2 C -3.945 -4.573 -7.427 1.00 . A A . 8 DTR CE2 1 1
16 4181 1 1 7 DTR CE3 C -6.004 -5.200 -6.329 1.00 . A A . 8 DTR CE3 1 1
16 4182 1 1 7 DTR CG C -3.793 -4.491 -5.147 1.00 . A A . 8 DTR CG 1 1
16 4183 1 1 7 DTR CH2 C -5.808 -5.180 -8.743 1.00 . A A . 8 DTR CH2 1 1
16 4184 1 1 7 DTR CZ2 C -4.504 -4.770 -8.686 1.00 . A A . 8 DTR CZ2 1 1
16 4185 1 1 7 DTR CZ3 C -6.557 -5.395 -7.578 1.00 . A A . 8 DTR CZ3 1 1
16 4186 1 1 7 DTR H H -4.765 -3.206 -1.256 1.00 . A A . 8 DTR H 1 1
16 4187 1 1 7 DTR HA H -6.152 -4.004 -3.721 1.00 . A A . 8 DTR HA 1 1
16 4188 1 1 7 DTR HB2 H -3.224 -4.304 -3.133 1.00 . A A . 8 DTR HB2 1 1
16 4189 1 1 7 DTR HB3 H -4.403 -5.572 -3.450 1.00 . A A . 8 DTR HB3 1 1
16 4190 1 1 7 DTR HD1 H -1.731 -3.835 -5.134 1.00 . A A . 8 DTR HD1 1 1
16 4191 1 1 7 DTR HE1 H -1.952 -3.953 -7.696 1.00 . A A . 8 DTR HE1 1 1
16 4192 1 1 7 DTR HE3 H -6.597 -5.369 -5.443 1.00 . A A . 8 DTR HE3 1 1
16 4193 1 1 7 DTR HH2 H -6.283 -5.346 -9.700 1.00 . A A . 8 DTR HH2 1 1
16 4194 1 1 7 DTR HZ2 H -3.941 -4.611 -9.593 1.00 . A A . 8 DTR HZ2 1 1
16 4195 1 1 7 DTR HZ3 H -7.584 -5.718 -7.667 1.00 . A A . 8 DTR HZ3 1 1
16 4196 1 1 7 DTR N N -5.431 -3.636 -1.827 1.00 . A A . 8 DTR N 1 1
16 4197 1 1 7 DTR NE1 N -2.685 -4.171 -7.072 1.00 . A A . 8 DTR NE1 1 1
16 4198 1 1 7 DTR O O -4.091 -1.521 -3.233 1.00 . A A . 8 DTR O 1 1
16 4199 1 1 8 LYS C C -6.114 0.719 -4.649 1.00 . A A . 9 LYS C 1 1
16 4200 1 1 8 LYS CA C -5.442 -0.440 -5.383 1.00 . A A . 9 LYS CA 1 1
16 4201 1 1 8 LYS CB C -5.891 -0.486 -6.849 1.00 . A A . 9 LYS CB 1 1
16 4202 1 1 8 LYS CD C -3.815 0.529 -7.850 1.00 . A A . 9 LYS CD 1 1
16 4203 1 1 8 LYS CE C -3.415 -0.712 -8.633 1.00 . A A . 9 LYS CE 1 1
16 4204 1 1 8 LYS CG C -5.325 0.638 -7.709 1.00 . A A . 9 LYS CG 1 1
16 4205 1 1 8 LYS H H -6.542 -2.205 -5.021 1.00 . A A . 9 LYS H 1 1
16 4206 1 1 8 LYS HA H -4.371 -0.300 -5.347 1.00 . A A . 9 LYS HA 1 1
16 4207 1 1 8 LYS HB2 H -5.579 -1.428 -7.278 1.00 . A A . 9 LYS HB2 1 1
16 4208 1 1 8 LYS HB3 H -6.971 -0.429 -6.885 1.00 . A A . 9 LYS HB3 1 1
16 4209 1 1 8 LYS HD2 H -3.446 1.402 -8.367 1.00 . A A . 9 LYS HD2 1 1
16 4210 1 1 8 LYS HD3 H -3.376 0.480 -6.864 1.00 . A A . 9 LYS HD3 1 1
16 4211 1 1 8 LYS HE2 H -3.809 -1.583 -8.129 1.00 . A A . 9 LYS HE2 1 1
16 4212 1 1 8 LYS HE3 H -3.840 -0.649 -9.623 1.00 . A A . 9 LYS HE3 1 1
16 4213 1 1 8 LYS HG2 H -5.771 0.588 -8.691 1.00 . A A . 9 LYS HG2 1 1
16 4214 1 1 8 LYS HG3 H -5.567 1.586 -7.250 1.00 . A A . 9 LYS HG3 1 1
16 4215 1 1 8 LYS HZ1 H -1.698 -1.629 -9.392 1.00 . A A . 9 LYS HZ1 1 1
16 4216 1 1 8 LYS HZ2 H -1.524 -1.043 -7.808 1.00 . A A . 9 LYS HZ2 1 1
16 4217 1 1 8 LYS HZ3 H -1.527 0.036 -9.117 1.00 . A A . 9 LYS HZ3 1 1
16 4218 1 1 8 LYS N N -5.748 -1.708 -4.732 1.00 . A A . 9 LYS N 1 1
16 4219 1 1 8 LYS NZ N -1.939 -0.847 -8.746 1.00 . A A . 9 LYS NZ 1 1
16 4220 1 1 8 LYS O O -5.971 1.883 -5.027 1.00 . A A . 9 LYS O 1 1
16 4221 1 1 9 THR C C -6.577 2.111 -1.836 1.00 . A A . 10 THR C 1 1
16 4222 1 1 9 THR CA C -7.536 1.394 -2.798 1.00 . A A . 10 THR CA 1 1
16 4223 1 1 9 THR CB C -8.684 0.742 -2.001 1.00 . A A . 10 THR CB 1 1
16 4224 1 1 9 THR CG2 C -9.642 1.795 -1.463 1.00 . A A . 10 THR CG2 1 1
16 4225 1 1 9 THR H H -6.926 -0.555 -3.347 1.00 . A A . 10 THR H 1 1
16 4226 1 1 9 THR HA H -7.962 2.120 -3.478 1.00 . A A . 10 THR HA 1 1
16 4227 1 1 9 THR HB H -8.264 0.198 -1.166 1.00 . A A . 10 THR HB 1 1
16 4228 1 1 9 THR HG1 H -9.124 -0.054 -3.768 1.00 . A A . 10 THR HG1 1 1
16 4229 1 1 9 THR HG21 H -10.431 1.314 -0.903 1.00 . A A . 10 THR HG21 1 1
16 4230 1 1 9 THR HG22 H -10.069 2.344 -2.287 1.00 . A A . 10 THR HG22 1 1
16 4231 1 1 9 THR HG23 H -9.104 2.475 -0.817 1.00 . A A . 10 THR HG23 1 1
16 4232 1 1 9 THR N N -6.835 0.392 -3.587 1.00 . A A . 10 THR N 1 1
16 4233 1 1 9 THR O O -6.810 3.257 -1.449 1.00 . A A . 10 THR O 1 1
16 4234 1 1 9 THR OG1 O -9.403 -0.173 -2.844 1.00 . A A . 10 THR OG1 1 1
16 4235 1 1 10 PHE C C -3.086 1.909 -1.203 1.00 . A A . 11 PHE C 1 1
16 4236 1 1 10 PHE CA C -4.498 2.017 -0.573 1.00 . A A . 11 PHE CA 1 1
16 4237 1 1 10 PHE CB C -4.513 1.244 0.749 1.00 . A A . 11 PHE CB 1 1
16 4238 1 1 10 PHE CD1 C -2.258 1.383 1.855 1.00 . A A . 11 PHE CD1 1 1
16 4239 1 1 10 PHE CD2 C -4.027 2.734 2.714 1.00 . A A . 11 PHE CD2 1 1
16 4240 1 1 10 PHE CE1 C -1.403 1.887 2.816 1.00 . A A . 11 PHE CE1 1 1
16 4241 1 1 10 PHE CE2 C -3.176 3.242 3.678 1.00 . A A . 11 PHE CE2 1 1
16 4242 1 1 10 PHE CG C -3.580 1.800 1.792 1.00 . A A . 11 PHE CG 1 1
16 4243 1 1 10 PHE CZ C -1.861 2.816 3.729 1.00 . A A . 11 PHE CZ 1 1
16 4244 1 1 10 PHE H H -5.321 0.556 -1.847 1.00 . A A . 11 PHE H 1 1
16 4245 1 1 10 PHE HA H -4.779 3.039 -0.374 1.00 . A A . 11 PHE HA 1 1
16 4246 1 1 10 PHE HB2 H -5.513 1.261 1.154 1.00 . A A . 11 PHE HB2 1 1
16 4247 1 1 10 PHE HB3 H -4.227 0.220 0.557 1.00 . A A . 11 PHE HB3 1 1
16 4248 1 1 10 PHE HD1 H -1.898 0.657 1.143 1.00 . A A . 11 PHE HD1 1 1
16 4249 1 1 10 PHE HD2 H -5.053 3.069 2.674 1.00 . A A . 11 PHE HD2 1 1
16 4250 1 1 10 PHE HE1 H -0.376 1.554 2.855 1.00 . A A . 11 PHE HE1 1 1
16 4251 1 1 10 PHE HE2 H -3.538 3.970 4.390 1.00 . A A . 11 PHE HE2 1 1
16 4252 1 1 10 PHE HZ H -1.193 3.211 4.482 1.00 . A A . 11 PHE HZ 1 1
16 4253 1 1 10 PHE N N -5.482 1.445 -1.479 1.00 . A A . 11 PHE N 1 1
16 4254 1 1 10 PHE O O -2.580 0.796 -1.323 1.00 . A A . 11 PHE O 1 1
16 4255 1 1 11 THR C C -0.144 3.839 -1.420 1.00 . A A . 12 THR C 1 1
16 4256 1 1 11 THR CA C -1.088 2.897 -2.162 1.00 . A A . 12 THR CA 1 1
16 4257 1 1 11 THR CB C -1.066 3.205 -3.673 1.00 . A A . 12 THR CB 1 1
16 4258 1 1 11 THR CG2 C 0.323 2.998 -4.260 1.00 . A A . 12 THR CG2 1 1
16 4259 1 1 11 THR H H -2.853 3.894 -1.618 1.00 . A A . 12 THR H 1 1
16 4260 1 1 11 THR HA H -0.755 1.878 -2.018 1.00 . A A . 12 THR HA 1 1
16 4261 1 1 11 THR HB H -1.359 4.235 -3.822 1.00 . A A . 12 THR HB 1 1
16 4262 1 1 11 THR HG1 H -2.002 1.480 -3.920 1.00 . A A . 12 THR HG1 1 1
16 4263 1 1 11 THR HG21 H 1.028 3.641 -3.755 1.00 . A A . 12 THR HG21 1 1
16 4264 1 1 11 THR HG22 H 0.308 3.236 -5.312 1.00 . A A . 12 THR HG22 1 1
16 4265 1 1 11 THR HG23 H 0.617 1.969 -4.130 1.00 . A A . 12 THR HG23 1 1
16 4266 1 1 11 THR N N -2.435 3.009 -1.632 1.00 . A A . 12 THR N 1 1
16 4267 1 1 11 THR O O -0.250 5.059 -1.532 1.00 . A A . 12 THR O 1 1
16 4268 1 1 11 THR OG1 O -2.000 2.348 -4.347 1.00 . A A . 12 THR OG1 1 1
16 4269 1 1 12 SER C C 3.133 3.506 -0.079 1.00 . A A . 13 SER C 1 1
16 4270 1 1 12 SER CA C 1.717 4.054 0.117 1.00 . A A . 13 SER CA 1 1
16 4271 1 1 12 SER CB C 1.353 4.054 1.600 1.00 . A A . 13 SER CB 1 1
16 4272 1 1 12 SER H H 0.755 2.289 -0.536 1.00 . A A . 13 SER H 1 1
16 4273 1 1 12 SER HA H 1.668 5.066 -0.255 1.00 . A A . 13 SER HA 1 1
16 4274 1 1 12 SER HB2 H 1.320 3.037 1.962 1.00 . A A . 13 SER HB2 1 1
16 4275 1 1 12 SER HB3 H 2.098 4.610 2.151 1.00 . A A . 13 SER HB3 1 1
16 4276 1 1 12 SER HG H -0.368 4.751 0.965 1.00 . A A . 13 SER HG 1 1
16 4277 1 1 12 SER N N 0.749 3.266 -0.627 1.00 . A A . 13 SER N 1 1
16 4278 1 1 12 SER O O 3.378 2.318 0.144 1.00 . A A . 13 SER O 1 1
16 4279 1 1 12 SER OG O 0.086 4.657 1.811 1.00 . A A . 13 SER OG 1 1
16 4280 1 1 13 CYS C C 6.338 4.845 0.252 1.00 . A A . 14 CYS C 1 1
16 4281 1 1 13 CYS CA C 5.454 3.973 -0.629 1.00 . A A . 14 CYS CA 1 1
16 4282 1 1 13 CYS CB C 5.895 4.066 -2.089 1.00 . A A . 14 CYS CB 1 1
16 4283 1 1 13 CYS H H 3.801 5.287 -0.720 1.00 . A A . 14 CYS H 1 1
16 4284 1 1 13 CYS HA H 5.541 2.947 -0.301 1.00 . A A . 14 CYS HA 1 1
16 4285 1 1 13 CYS HB2 H 5.679 5.058 -2.461 1.00 . A A . 14 CYS HB2 1 1
16 4286 1 1 13 CYS HB3 H 6.958 3.888 -2.150 1.00 . A A . 14 CYS HB3 1 1
16 4287 1 1 13 CYS N N 4.060 4.364 -0.493 1.00 . A A . 14 CYS N 1 1
16 4288 1 1 13 CYS O O 6.446 6.053 0.040 1.00 . A A . 14 CYS O 1 1
16 4289 1 1 13 CYS SG S 5.065 2.869 -3.188 1.00 . A A . 14 CYS SG 1 1
16 4290 1 1 14 LYS C C 9.223 4.478 2.103 1.00 . A A . 15 LYS C 1 1
16 4291 1 1 14 LYS CA C 7.777 4.943 2.203 1.00 . A A . 15 LYS CA 1 1
16 4292 1 1 14 LYS CB C 7.244 4.734 3.623 1.00 . A A . 15 LYS CB 1 1
16 4293 1 1 14 LYS CD C 5.296 4.913 5.206 1.00 . A A . 15 LYS CD 1 1
16 4294 1 1 14 LYS CE C 3.862 5.389 5.392 1.00 . A A . 15 LYS CE 1 1
16 4295 1 1 14 LYS CG C 5.827 5.252 3.821 1.00 . A A . 15 LYS CG 1 1
16 4296 1 1 14 LYS H H 6.868 3.250 1.328 1.00 . A A . 15 LYS H 1 1
16 4297 1 1 14 LYS HA H 7.732 5.992 1.961 1.00 . A A . 15 LYS HA 1 1
16 4298 1 1 14 LYS HB2 H 7.253 3.677 3.846 1.00 . A A . 15 LYS HB2 1 1
16 4299 1 1 14 LYS HB3 H 7.893 5.246 4.319 1.00 . A A . 15 LYS HB3 1 1
16 4300 1 1 14 LYS HD2 H 5.330 3.843 5.346 1.00 . A A . 15 LYS HD2 1 1
16 4301 1 1 14 LYS HD3 H 5.922 5.394 5.945 1.00 . A A . 15 LYS HD3 1 1
16 4302 1 1 14 LYS HE2 H 3.270 5.045 4.557 1.00 . A A . 15 LYS HE2 1 1
16 4303 1 1 14 LYS HE3 H 3.472 4.964 6.306 1.00 . A A . 15 LYS HE3 1 1
16 4304 1 1 14 LYS HG2 H 5.828 6.324 3.700 1.00 . A A . 15 LYS HG2 1 1
16 4305 1 1 14 LYS HG3 H 5.183 4.803 3.077 1.00 . A A . 15 LYS HG3 1 1
16 4306 1 1 14 LYS HZ1 H 4.264 7.312 4.667 1.00 . A A . 15 LYS HZ1 1 1
16 4307 1 1 14 LYS HZ2 H 4.205 7.208 6.358 1.00 . A A . 15 LYS HZ2 1 1
16 4308 1 1 14 LYS HZ3 H 2.772 7.170 5.458 1.00 . A A . 15 LYS HZ3 1 1
16 4309 1 1 14 LYS N N 6.954 4.227 1.246 1.00 . A A . 15 LYS N 1 1
16 4310 1 1 14 LYS NZ N 3.769 6.871 5.472 1.00 . A A . 15 LYS NZ 1 1
16 4311 1 1 14 LYS O O 10.061 5.244 1.576 1.00 . A A . 15 LYS O 1 1
16 4312 1 1 14 LYS OXT O 9.514 3.342 2.526 1.00 . A A . 15 LYS OXT 1 1
16 4313 2 2 1 . C1 C 9.064 -2.361 0.853 1.00 . B A . 101 OCA C1 1 1
16 4314 2 2 1 . C2 C 8.731 -2.038 2.305 1.00 . B A . 101 OCA C2 1 1
16 4315 2 2 1 . C3 C 7.239 -2.081 2.601 1.00 . B A . 101 OCA C3 1 1
16 4316 2 2 1 . C4 C 6.947 -1.640 4.026 1.00 . B A . 101 OCA C4 1 1
16 4317 2 2 1 . C5 C 5.577 -0.994 4.146 1.00 . B A . 101 OCA C5 1 1
16 4318 2 2 1 . C6 C 5.633 0.498 3.852 1.00 . B A . 101 OCA C6 1 1
16 4319 2 2 1 . C7 C 4.649 1.281 4.707 1.00 . B A . 101 OCA C7 1 1
16 4320 2 2 1 . C8 C 3.214 0.895 4.411 1.00 . B A . 101 OCA C8 1 1
16 4321 2 2 1 . H21 H 9.100 -1.047 2.529 1.00 . B A . 101 OCA H21 1 1
16 4322 2 2 1 . H22 H 9.230 -2.756 2.939 1.00 . B A . 101 OCA H22 1 1
16 4323 2 2 1 . H31 H 6.729 -1.422 1.915 1.00 . B A . 101 OCA H31 1 1
16 4324 2 2 1 . H32 H 6.885 -3.093 2.465 1.00 . B A . 101 OCA H32 1 1
16 4325 2 2 1 . H41 H 6.984 -2.503 4.674 1.00 . B A . 101 OCA H41 1 1
16 4326 2 2 1 . H42 H 7.698 -0.926 4.330 1.00 . B A . 101 OCA H42 1 1
16 4327 2 2 1 . H51 H 4.906 -1.464 3.443 1.00 . B A . 101 OCA H51 1 1
16 4328 2 2 1 . H52 H 5.208 -1.139 5.151 1.00 . B A . 101 OCA H52 1 1
16 4329 2 2 1 . H61 H 6.633 0.856 4.053 1.00 . B A . 101 OCA H61 1 1
16 4330 2 2 1 . H62 H 5.394 0.656 2.811 1.00 . B A . 101 OCA H62 1 1
16 4331 2 2 1 . H71 H 4.850 1.085 5.750 1.00 . B A . 101 OCA H71 1 1
16 4332 2 2 1 . H72 H 4.765 2.337 4.505 1.00 . B A . 101 OCA H72 1 1
16 4333 2 2 1 . H81 H 3.186 -0.113 4.023 1.00 . B A . 101 OCA H81 1 1
16 4334 2 2 1 . H82 H 2.801 1.573 3.681 1.00 . B A . 101 OCA H82 1 1
16 4335 2 2 1 . H83 H 2.633 0.945 5.320 1.00 . B A . 101 OCA H83 1 1
16 4336 2 2 1 . O1 O 9.240 -3.504 0.424 1.00 . B A . 101 OCA O1 1 1
17 4337 1 1 1 PRO C C 6.850 0.429 0.119 1.00 . A A . 2 PRO C 1 1
17 4338 1 1 1 PRO CA C 8.317 0.061 0.340 1.00 . A A . 2 PRO CA 1 1
17 4339 1 1 1 PRO CB C 9.233 1.145 -0.218 1.00 . A A . 2 PRO CB 1 1
17 4340 1 1 1 PRO CD C 9.270 -0.725 -1.747 1.00 . A A . 2 PRO CD 1 1
17 4341 1 1 1 PRO CG C 9.428 0.776 -1.651 1.00 . A A . 2 PRO CG 1 1
17 4342 1 1 1 PRO HA H 8.504 -0.068 1.395 1.00 . A A . 2 PRO HA 1 1
17 4343 1 1 1 PRO HB2 H 8.757 2.110 -0.117 1.00 . A A . 2 PRO HB2 1 1
17 4344 1 1 1 PRO HB3 H 10.169 1.139 0.319 1.00 . A A . 2 PRO HB3 1 1
17 4345 1 1 1 PRO HD2 H 8.584 -0.980 -2.541 1.00 . A A . 2 PRO HD2 1 1
17 4346 1 1 1 PRO HD3 H 10.230 -1.194 -1.915 1.00 . A A . 2 PRO HD3 1 1
17 4347 1 1 1 PRO HG2 H 8.680 1.267 -2.256 1.00 . A A . 2 PRO HG2 1 1
17 4348 1 1 1 PRO HG3 H 10.417 1.069 -1.972 1.00 . A A . 2 PRO HG3 1 1
17 4349 1 1 1 PRO N N 8.718 -1.117 -0.434 1.00 . A A . 2 PRO N 1 1
17 4350 1 1 1 PRO O O 6.372 1.453 0.608 1.00 . A A . 2 PRO O 1 1
17 4351 1 1 2 CYS C C 3.952 -1.467 -0.527 1.00 . A A . 3 CYS C 1 1
17 4352 1 1 2 CYS CA C 4.734 -0.207 -0.896 1.00 . A A . 3 CYS CA 1 1
17 4353 1 1 2 CYS CB C 4.512 0.136 -2.374 1.00 . A A . 3 CYS CB 1 1
17 4354 1 1 2 CYS H H 6.595 -1.190 -1.021 1.00 . A A . 3 CYS H 1 1
17 4355 1 1 2 CYS HA H 4.392 0.616 -0.286 1.00 . A A . 3 CYS HA 1 1
17 4356 1 1 2 CYS HB2 H 4.614 -0.762 -2.963 1.00 . A A . 3 CYS HB2 1 1
17 4357 1 1 2 CYS HB3 H 3.513 0.528 -2.495 1.00 . A A . 3 CYS HB3 1 1
17 4358 1 1 2 CYS N N 6.148 -0.411 -0.632 1.00 . A A . 3 CYS N 1 1
17 4359 1 1 2 CYS O O 4.084 -2.503 -1.180 1.00 . A A . 3 CYS O 1 1
17 4360 1 1 2 CYS SG S 5.678 1.372 -3.042 1.00 . A A . 3 CYS SG 1 1
17 4361 1 1 3 LYS C C 0.875 -2.210 0.730 1.00 . A A . 4 LYS C 1 1
17 4362 1 1 3 LYS CA C 2.347 -2.507 0.977 1.00 . A A . 4 LYS CA 1 1
17 4363 1 1 3 LYS CB C 2.580 -2.779 2.470 1.00 . A A . 4 LYS CB 1 1
17 4364 1 1 3 LYS CD C 1.819 -5.193 2.326 1.00 . A A . 4 LYS CD 1 1
17 4365 1 1 3 LYS CE C 3.219 -5.770 2.442 1.00 . A A . 4 LYS CE 1 1
17 4366 1 1 3 LYS CG C 1.681 -3.865 3.059 1.00 . A A . 4 LYS CG 1 1
17 4367 1 1 3 LYS H H 3.143 -0.546 1.056 1.00 . A A . 4 LYS H 1 1
17 4368 1 1 3 LYS HA H 2.635 -3.376 0.407 1.00 . A A . 4 LYS HA 1 1
17 4369 1 1 3 LYS HB2 H 3.607 -3.075 2.616 1.00 . A A . 4 LYS HB2 1 1
17 4370 1 1 3 LYS HB3 H 2.399 -1.866 3.020 1.00 . A A . 4 LYS HB3 1 1
17 4371 1 1 3 LYS HD2 H 1.118 -5.897 2.747 1.00 . A A . 4 LYS HD2 1 1
17 4372 1 1 3 LYS HD3 H 1.590 -5.040 1.282 1.00 . A A . 4 LYS HD3 1 1
17 4373 1 1 3 LYS HE2 H 3.922 -5.063 2.030 1.00 . A A . 4 LYS HE2 1 1
17 4374 1 1 3 LYS HE3 H 3.442 -5.932 3.487 1.00 . A A . 4 LYS HE3 1 1
17 4375 1 1 3 LYS HG2 H 1.948 -4.013 4.095 1.00 . A A . 4 LYS HG2 1 1
17 4376 1 1 3 LYS HG3 H 0.654 -3.536 2.997 1.00 . A A . 4 LYS HG3 1 1
17 4377 1 1 3 LYS HZ1 H 4.312 -7.434 1.802 1.00 . A A . 4 LYS HZ1 1 1
17 4378 1 1 3 LYS HZ2 H 3.128 -6.916 0.698 1.00 . A A . 4 LYS HZ2 1 1
17 4379 1 1 3 LYS HZ3 H 2.672 -7.757 2.099 1.00 . A A . 4 LYS HZ3 1 1
17 4380 1 1 3 LYS N N 3.167 -1.385 0.537 1.00 . A A . 4 LYS N 1 1
17 4381 1 1 3 LYS NZ N 3.342 -7.057 1.711 1.00 . A A . 4 LYS NZ 1 1
17 4382 1 1 3 LYS O O 0.357 -1.187 1.174 1.00 . A A . 4 LYS O 1 1
17 4383 1 1 4 ASN C C -2.013 -3.966 0.598 1.00 . A A . 5 ASN C 1 1
17 4384 1 1 4 ASN CA C -1.226 -2.931 -0.210 1.00 . A A . 5 ASN CA 1 1
17 4385 1 1 4 ASN CB C -1.530 -3.128 -1.700 1.00 . A A . 5 ASN CB 1 1
17 4386 1 1 4 ASN CG C -0.655 -2.294 -2.623 1.00 . A A . 5 ASN CG 1 1
17 4387 1 1 4 ASN H H 0.652 -3.896 -0.328 1.00 . A A . 5 ASN H 1 1
17 4388 1 1 4 ASN HA H -1.505 -1.931 0.085 1.00 . A A . 5 ASN HA 1 1
17 4389 1 1 4 ASN HB2 H -1.387 -4.167 -1.951 1.00 . A A . 5 ASN HB2 1 1
17 4390 1 1 4 ASN HB3 H -2.562 -2.860 -1.882 1.00 . A A . 5 ASN HB3 1 1
17 4391 1 1 4 ASN HD21 H -0.610 -0.796 -1.319 1.00 . A A . 5 ASN HD21 1 1
17 4392 1 1 4 ASN HD22 H 0.278 -0.546 -2.787 1.00 . A A . 5 ASN HD22 1 1
17 4393 1 1 4 ASN N N 0.195 -3.107 0.032 1.00 . A A . 5 ASN N 1 1
17 4394 1 1 4 ASN ND2 N -0.296 -1.092 -2.200 1.00 . A A . 5 ASN ND2 1 1
17 4395 1 1 4 ASN O O -1.946 -5.160 0.306 1.00 . A A . 5 ASN O 1 1
17 4396 1 1 4 ASN OD1 O -0.316 -2.730 -3.725 1.00 . A A . 5 ASN OD1 1 1
17 4397 1 1 5 . C C -4.840 -4.796 1.595 1.00 . A A . 6 O6H C 1 1
17 4398 1 1 5 . CA C -3.605 -4.404 2.398 1.00 . A A . 6 O6H CA 1 1
17 4399 1 1 5 . CB C -4.009 -3.783 3.742 1.00 . A A . 6 O6H CB 1 1
17 4400 1 1 5 . CD1 C -2.081 -4.456 5.246 1.00 . A A . 6 O6H CD1 1 1
17 4401 1 1 5 . CD2 C -2.472 -2.135 4.867 1.00 . A A . 6 O6H CD2 1 1
17 4402 1 1 5 . CE1 C -1.003 -4.147 6.053 1.00 . A A . 6 O6H CE1 1 1
17 4403 1 1 5 . CE2 C -1.400 -1.814 5.672 1.00 . A A . 6 O6H CE2 1 1
17 4404 1 1 5 . CF1 C -2.431 -5.901 5.031 1.00 . A A . 6 O6H CF1 1 1
17 4405 1 1 5 . CF2 C -3.269 -1.030 4.242 1.00 . A A . 6 O6H CF2 1 1
17 4406 1 1 5 . CG C -2.836 -3.455 4.635 1.00 . A A . 6 O6H CG 1 1
17 4407 1 1 5 . CH C 0.496 -2.475 7.134 1.00 . A A . 6 O6H CH 1 1
17 4408 1 1 5 . CZ C -0.668 -2.822 6.259 1.00 . A A . 6 O6H CZ 1 1
17 4409 1 1 5 . H1 H -2.637 -2.588 1.915 1.00 . A A . 6 O6H H1 1 1
17 4410 1 1 5 . HA H -3.046 -5.308 2.599 1.00 . A A . 6 O6H HA 1 1
17 4411 1 1 5 . HB1 H -4.651 -4.472 4.273 1.00 . A A . 6 O6H HB1 1 1
17 4412 1 1 5 . HB2 H -4.552 -2.868 3.558 1.00 . A A . 6 O6H HB2 1 1
17 4413 1 1 5 . HE1 H -0.430 -4.934 6.519 1.00 . A A . 6 O6H HE1 1 1
17 4414 1 1 5 . HE2 H -1.132 -0.780 5.836 1.00 . A A . 6 O6H HE2 1 1
17 4415 1 1 5 . HF11 H -3.481 -6.065 4.835 1.00 . A A . 6 O6H HF11 1 1
17 4416 1 1 5 . HF12 H -1.912 -6.348 4.196 1.00 . A A . 6 O6H HF12 1 1
17 4417 1 1 5 . HF13 H -2.200 -6.527 5.879 1.00 . A A . 6 O6H HF13 1 1
17 4418 1 1 5 . HF21 H -3.986 -1.381 3.518 1.00 . A A . 6 O6H HF21 1 1
17 4419 1 1 5 . HF22 H -2.662 -0.308 3.716 1.00 . A A . 6 O6H HF22 1 1
17 4420 1 1 5 . HF23 H -3.839 -0.457 4.957 1.00 . A A . 6 O6H HF23 1 1
17 4421 1 1 5 . HH1 H 0.668 -3.191 7.922 1.00 . A A . 6 O6H HH1 1 1
17 4422 1 1 5 . HH2 H 0.385 -1.523 7.632 1.00 . A A . 6 O6H HH2 1 1
17 4423 1 1 5 . HH3 H 1.432 -2.408 6.597 1.00 . A A . 6 O6H HH3 1 1
17 4424 1 1 5 . N N -2.721 -3.523 1.639 1.00 . A A . 6 O6H N 1 1
17 4425 1 1 5 . O O -5.301 -5.932 1.653 1.00 . A A . 6 O6H O 1 1
17 4426 1 1 6 PHE C C -6.531 -4.100 -1.297 1.00 . A A . 7 PHE C 1 1
17 4427 1 1 6 PHE CA C -6.680 -3.998 0.214 1.00 . A A . 7 PHE CA 1 1
17 4428 1 1 6 PHE CB C -7.610 -2.829 0.558 1.00 . A A . 7 PHE CB 1 1
17 4429 1 1 6 PHE CD1 C -7.868 -3.254 3.023 1.00 . A A . 7 PHE CD1 1 1
17 4430 1 1 6 PHE CD2 C -7.084 -1.117 2.308 1.00 . A A . 7 PHE CD2 1 1
17 4431 1 1 6 PHE CE1 C -7.775 -2.851 4.342 1.00 . A A . 7 PHE CE1 1 1
17 4432 1 1 6 PHE CE2 C -6.992 -0.708 3.624 1.00 . A A . 7 PHE CE2 1 1
17 4433 1 1 6 PHE CG C -7.523 -2.393 1.993 1.00 . A A . 7 PHE CG 1 1
17 4434 1 1 6 PHE CZ C -7.335 -1.574 4.641 1.00 . A A . 7 PHE CZ 1 1
17 4435 1 1 6 PHE H H -4.901 -2.987 0.757 1.00 . A A . 7 PHE H 1 1
17 4436 1 1 6 PHE HA H -7.120 -4.912 0.585 1.00 . A A . 7 PHE HA 1 1
17 4437 1 1 6 PHE HB2 H -7.358 -1.982 -0.062 1.00 . A A . 7 PHE HB2 1 1
17 4438 1 1 6 PHE HB3 H -8.631 -3.122 0.361 1.00 . A A . 7 PHE HB3 1 1
17 4439 1 1 6 PHE HD1 H -8.210 -4.251 2.790 1.00 . A A . 7 PHE HD1 1 1
17 4440 1 1 6 PHE HD2 H -6.814 -0.438 1.513 1.00 . A A . 7 PHE HD2 1 1
17 4441 1 1 6 PHE HE1 H -8.047 -3.531 5.137 1.00 . A A . 7 PHE HE1 1 1
17 4442 1 1 6 PHE HE2 H -6.651 0.290 3.856 1.00 . A A . 7 PHE HE2 1 1
17 4443 1 1 6 PHE HZ H -7.255 -1.257 5.669 1.00 . A A . 7 PHE HZ 1 1
17 4444 1 1 6 PHE N N -5.383 -3.830 0.862 1.00 . A A . 7 PHE N 1 1
17 4445 1 1 6 PHE O O -7.440 -4.548 -1.993 1.00 . A A . 7 PHE O 1 1
17 4446 1 1 7 DTR C C -4.663 -2.240 -3.678 1.00 . A A . 8 DTR C 1 1
17 4447 1 1 7 DTR CA C -5.141 -3.625 -3.227 1.00 . A A . 8 DTR CA 1 1
17 4448 1 1 7 DTR CB C -4.123 -4.720 -3.586 1.00 . A A . 8 DTR CB 1 1
17 4449 1 1 7 DTR CD1 C -2.381 -4.764 -5.463 1.00 . A A . 8 DTR CD1 1 1
17 4450 1 1 7 DTR CD2 C -4.490 -4.554 -6.186 1.00 . A A . 8 DTR CD2 1 1
17 4451 1 1 7 DTR CE2 C -3.631 -4.561 -7.299 1.00 . A A . 8 DTR CE2 1 1
17 4452 1 1 7 DTR CE3 C -5.869 -4.433 -6.402 1.00 . A A . 8 DTR CE3 1 1
17 4453 1 1 7 DTR CG C -3.668 -4.687 -5.016 1.00 . A A . 8 DTR CG 1 1
17 4454 1 1 7 DTR CH2 C -5.449 -4.326 -8.785 1.00 . A A . 8 DTR CH2 1 1
17 4455 1 1 7 DTR CZ2 C -4.100 -4.445 -8.603 1.00 . A A . 8 DTR CZ2 1 1
17 4456 1 1 7 DTR CZ3 C -6.332 -4.319 -7.699 1.00 . A A . 8 DTR CZ3 1 1
17 4457 1 1 7 DTR H H -4.718 -3.287 -1.194 1.00 . A A . 8 DTR H 1 1
17 4458 1 1 7 DTR HA H -6.059 -3.890 -3.737 1.00 . A A . 8 DTR HA 1 1
17 4459 1 1 7 DTR HB2 H -3.251 -4.605 -2.961 1.00 . A A . 8 DTR HB2 1 1
17 4460 1 1 7 DTR HB3 H -4.568 -5.685 -3.400 1.00 . A A . 8 DTR HB3 1 1
17 4461 1 1 7 DTR HD1 H -1.520 -4.868 -4.820 1.00 . A A . 8 DTR HD1 1 1
17 4462 1 1 7 DTR HE1 H -1.538 -4.733 -7.388 1.00 . A A . 8 DTR HE1 1 1
17 4463 1 1 7 DTR HE3 H -6.566 -4.424 -5.575 1.00 . A A . 8 DTR HE3 1 1
17 4464 1 1 7 DTR HH2 H -5.855 -4.235 -9.782 1.00 . A A . 8 DTR HH2 1 1
17 4465 1 1 7 DTR HZ2 H -3.433 -4.436 -9.449 1.00 . A A . 8 DTR HZ2 1 1
17 4466 1 1 7 DTR HZ3 H -7.391 -4.226 -7.885 1.00 . A A . 8 DTR HZ3 1 1
17 4467 1 1 7 DTR N N -5.402 -3.634 -1.799 1.00 . A A . 8 DTR N 1 1
17 4468 1 1 7 DTR NE1 N -2.351 -4.692 -6.832 1.00 . A A . 8 DTR NE1 1 1
17 4469 1 1 7 DTR O O -3.779 -1.661 -3.051 1.00 . A A . 8 DTR O 1 1
17 4470 1 1 8 LYS C C -5.571 0.747 -4.581 1.00 . A A . 9 LYS C 1 1
17 4471 1 1 8 LYS CA C -4.833 -0.395 -5.256 1.00 . A A . 9 LYS CA 1 1
17 4472 1 1 8 LYS CB C -4.990 -0.326 -6.778 1.00 . A A . 9 LYS CB 1 1
17 4473 1 1 8 LYS CD C -2.549 -0.911 -6.861 1.00 . A A . 9 LYS CD 1 1
17 4474 1 1 8 LYS CE C -1.411 -1.340 -7.771 1.00 . A A . 9 LYS CE 1 1
17 4475 1 1 8 LYS CG C -3.909 -1.088 -7.525 1.00 . A A . 9 LYS CG 1 1
17 4476 1 1 8 LYS H H -6.012 -2.142 -5.162 1.00 . A A . 9 LYS H 1 1
17 4477 1 1 8 LYS HA H -3.782 -0.294 -5.020 1.00 . A A . 9 LYS HA 1 1
17 4478 1 1 8 LYS HB2 H -5.951 -0.742 -7.048 1.00 . A A . 9 LYS HB2 1 1
17 4479 1 1 8 LYS HB3 H -4.954 0.704 -7.091 1.00 . A A . 9 LYS HB3 1 1
17 4480 1 1 8 LYS HD2 H -2.417 0.130 -6.608 1.00 . A A . 9 LYS HD2 1 1
17 4481 1 1 8 LYS HD3 H -2.521 -1.508 -5.961 1.00 . A A . 9 LYS HD3 1 1
17 4482 1 1 8 LYS HE2 H -0.538 -1.545 -7.172 1.00 . A A . 9 LYS HE2 1 1
17 4483 1 1 8 LYS HE3 H -1.707 -2.237 -8.292 1.00 . A A . 9 LYS HE3 1 1
17 4484 1 1 8 LYS HG2 H -4.164 -2.138 -7.532 1.00 . A A . 9 LYS HG2 1 1
17 4485 1 1 8 LYS HG3 H -3.856 -0.722 -8.539 1.00 . A A . 9 LYS HG3 1 1
17 4486 1 1 8 LYS HZ1 H -1.881 -0.154 -9.425 1.00 . A A . 9 LYS HZ1 1 1
17 4487 1 1 8 LYS HZ2 H -0.245 -0.583 -9.325 1.00 . A A . 9 LYS HZ2 1 1
17 4488 1 1 8 LYS HZ3 H -0.871 0.610 -8.294 1.00 . A A . 9 LYS HZ3 1 1
17 4489 1 1 8 LYS N N -5.266 -1.682 -4.727 1.00 . A A . 9 LYS N 1 1
17 4490 1 1 8 LYS NZ N -1.079 -0.295 -8.772 1.00 . A A . 9 LYS NZ 1 1
17 4491 1 1 8 LYS O O -5.336 1.916 -4.874 1.00 . A A . 9 LYS O 1 1
17 4492 1 1 9 THR C C -6.388 2.029 -1.827 1.00 . A A . 10 THR C 1 1
17 4493 1 1 9 THR CA C -7.228 1.382 -2.931 1.00 . A A . 10 THR CA 1 1
17 4494 1 1 9 THR CB C -8.458 0.709 -2.297 1.00 . A A . 10 THR CB 1 1
17 4495 1 1 9 THR CG2 C -9.651 1.653 -2.280 1.00 . A A . 10 THR CG2 1 1
17 4496 1 1 9 THR H H -6.605 -0.557 -3.480 1.00 . A A . 10 THR H 1 1
17 4497 1 1 9 THR HA H -7.560 2.137 -3.626 1.00 . A A . 10 THR HA 1 1
17 4498 1 1 9 THR HB H -8.216 0.437 -1.280 1.00 . A A . 10 THR HB 1 1
17 4499 1 1 9 THR HG1 H -9.730 -0.457 -3.274 1.00 . A A . 10 THR HG1 1 1
17 4500 1 1 9 THR HG21 H -9.888 1.953 -3.290 1.00 . A A . 10 THR HG21 1 1
17 4501 1 1 9 THR HG22 H -9.410 2.527 -1.693 1.00 . A A . 10 THR HG22 1 1
17 4502 1 1 9 THR HG23 H -10.500 1.150 -1.844 1.00 . A A . 10 THR HG23 1 1
17 4503 1 1 9 THR N N -6.445 0.396 -3.652 1.00 . A A . 10 THR N 1 1
17 4504 1 1 9 THR O O -6.698 3.123 -1.353 1.00 . A A . 10 THR O 1 1
17 4505 1 1 9 THR OG1 O -8.791 -0.477 -3.036 1.00 . A A . 10 THR OG1 1 1
17 4506 1 1 10 PHE C C -2.945 1.889 -1.124 1.00 . A A . 11 PHE C 1 1
17 4507 1 1 10 PHE CA C -4.360 1.915 -0.490 1.00 . A A . 11 PHE CA 1 1
17 4508 1 1 10 PHE CB C -4.348 1.082 0.798 1.00 . A A . 11 PHE CB 1 1
17 4509 1 1 10 PHE CD1 C -2.113 1.195 1.940 1.00 . A A . 11 PHE CD1 1 1
17 4510 1 1 10 PHE CD2 C -3.885 2.554 2.780 1.00 . A A . 11 PHE CD2 1 1
17 4511 1 1 10 PHE CE1 C -1.268 1.688 2.918 1.00 . A A . 11 PHE CE1 1 1
17 4512 1 1 10 PHE CE2 C -3.045 3.049 3.759 1.00 . A A . 11 PHE CE2 1 1
17 4513 1 1 10 PHE CG C -3.430 1.621 1.861 1.00 . A A . 11 PHE CG 1 1
17 4514 1 1 10 PHE CZ C -1.735 2.616 3.828 1.00 . A A . 11 PHE CZ 1 1
17 4515 1 1 10 PHE H H -5.137 0.468 -1.800 1.00 . A A . 11 PHE H 1 1
17 4516 1 1 10 PHE HA H -4.683 2.917 -0.247 1.00 . A A . 11 PHE HA 1 1
17 4517 1 1 10 PHE HB2 H -5.347 1.052 1.208 1.00 . A A . 11 PHE HB2 1 1
17 4518 1 1 10 PHE HB3 H -4.031 0.076 0.564 1.00 . A A . 11 PHE HB3 1 1
17 4519 1 1 10 PHE HD1 H -1.747 0.469 1.228 1.00 . A A . 11 PHE HD1 1 1
17 4520 1 1 10 PHE HD2 H -4.908 2.894 2.729 1.00 . A A . 11 PHE HD2 1 1
17 4521 1 1 10 PHE HE1 H -0.245 1.347 2.970 1.00 . A A . 11 PHE HE1 1 1
17 4522 1 1 10 PHE HE2 H -3.413 3.776 4.469 1.00 . A A . 11 PHE HE2 1 1
17 4523 1 1 10 PHE HZ H -1.074 3.001 4.590 1.00 . A A . 11 PHE HZ 1 1
17 4524 1 1 10 PHE N N -5.309 1.355 -1.432 1.00 . A A . 11 PHE N 1 1
17 4525 1 1 10 PHE O O -2.406 0.799 -1.313 1.00 . A A . 11 PHE O 1 1
17 4526 1 1 11 THR C C -0.125 4.026 -1.208 1.00 . A A . 12 THR C 1 1
17 4527 1 1 11 THR CA C -0.973 3.018 -1.976 1.00 . A A . 12 THR CA 1 1
17 4528 1 1 11 THR CB C -0.906 3.326 -3.485 1.00 . A A . 12 THR CB 1 1
17 4529 1 1 11 THR CG2 C 0.527 3.268 -3.992 1.00 . A A . 12 THR CG2 1 1
17 4530 1 1 11 THR H H -2.822 3.892 -1.503 1.00 . A A . 12 THR H 1 1
17 4531 1 1 11 THR HA H -0.575 2.027 -1.811 1.00 . A A . 12 THR HA 1 1
17 4532 1 1 11 THR HB H -1.290 4.321 -3.650 1.00 . A A . 12 THR HB 1 1
17 4533 1 1 11 THR HG1 H -2.238 1.872 -3.591 1.00 . A A . 12 THR HG1 1 1
17 4534 1 1 11 THR HG21 H 0.546 3.506 -5.046 1.00 . A A . 12 THR HG21 1 1
17 4535 1 1 11 THR HG22 H 0.924 2.275 -3.839 1.00 . A A . 12 THR HG22 1 1
17 4536 1 1 11 THR HG23 H 1.127 3.984 -3.452 1.00 . A A . 12 THR HG23 1 1
17 4537 1 1 11 THR N N -2.342 3.034 -1.498 1.00 . A A . 12 THR N 1 1
17 4538 1 1 11 THR O O -0.308 5.236 -1.333 1.00 . A A . 12 THR O 1 1
17 4539 1 1 11 THR OG1 O -1.707 2.384 -4.212 1.00 . A A . 12 THR OG1 1 1
17 4540 1 1 12 SER C C 3.118 3.828 0.166 1.00 . A A . 13 SER C 1 1
17 4541 1 1 12 SER CA C 1.700 4.358 0.350 1.00 . A A . 13 SER CA 1 1
17 4542 1 1 12 SER CB C 1.321 4.380 1.830 1.00 . A A . 13 SER CB 1 1
17 4543 1 1 12 SER H H 0.818 2.546 -0.266 1.00 . A A . 13 SER H 1 1
17 4544 1 1 12 SER HA H 1.632 5.358 -0.050 1.00 . A A . 13 SER HA 1 1
17 4545 1 1 12 SER HB2 H 1.397 3.381 2.236 1.00 . A A . 13 SER HB2 1 1
17 4546 1 1 12 SER HB3 H 1.989 5.040 2.365 1.00 . A A . 13 SER HB3 1 1
17 4547 1 1 12 SER HG H -0.361 5.092 1.137 1.00 . A A . 13 SER HG 1 1
17 4548 1 1 12 SER N N 0.772 3.518 -0.383 1.00 . A A . 13 SER N 1 1
17 4549 1 1 12 SER O O 3.383 2.662 0.452 1.00 . A A . 13 SER O 1 1
17 4550 1 1 12 SER OG O -0.006 4.843 1.995 1.00 . A A . 13 SER OG 1 1
17 4551 1 1 13 CYS C C 6.389 5.105 0.153 1.00 . A A . 14 CYS C 1 1
17 4552 1 1 13 CYS CA C 5.385 4.230 -0.583 1.00 . A A . 14 CYS CA 1 1
17 4553 1 1 13 CYS CB C 5.662 4.248 -2.086 1.00 . A A . 14 CYS CB 1 1
17 4554 1 1 13 CYS H H 3.775 5.599 -0.497 1.00 . A A . 14 CYS H 1 1
17 4555 1 1 13 CYS HA H 5.482 3.217 -0.222 1.00 . A A . 14 CYS HA 1 1
17 4556 1 1 13 CYS HB2 H 5.488 5.243 -2.463 1.00 . A A . 14 CYS HB2 1 1
17 4557 1 1 13 CYS HB3 H 6.693 3.976 -2.258 1.00 . A A . 14 CYS HB3 1 1
17 4558 1 1 13 CYS N N 4.021 4.665 -0.318 1.00 . A A . 14 CYS N 1 1
17 4559 1 1 13 CYS O O 6.563 6.282 -0.169 1.00 . A A . 14 CYS O 1 1
17 4560 1 1 13 CYS SG S 4.619 3.102 -3.048 1.00 . A A . 14 CYS SG 1 1
17 4561 1 1 14 LYS C C 8.908 4.226 2.695 1.00 . A A . 15 LYS C 1 1
17 4562 1 1 14 LYS CA C 8.017 5.228 1.963 1.00 . A A . 15 LYS CA 1 1
17 4563 1 1 14 LYS CB C 7.353 6.207 2.960 1.00 . A A . 15 LYS CB 1 1
17 4564 1 1 14 LYS CD C 4.892 5.595 3.120 1.00 . A A . 15 LYS CD 1 1
17 4565 1 1 14 LYS CE C 4.115 6.891 3.338 1.00 . A A . 15 LYS CE 1 1
17 4566 1 1 14 LYS CG C 6.245 5.604 3.824 1.00 . A A . 15 LYS CG 1 1
17 4567 1 1 14 LYS H H 6.834 3.582 1.368 1.00 . A A . 15 LYS H 1 1
17 4568 1 1 14 LYS HA H 8.638 5.796 1.284 1.00 . A A . 15 LYS HA 1 1
17 4569 1 1 14 LYS HB2 H 8.113 6.598 3.618 1.00 . A A . 15 LYS HB2 1 1
17 4570 1 1 14 LYS HB3 H 6.928 7.026 2.400 1.00 . A A . 15 LYS HB3 1 1
17 4571 1 1 14 LYS HD2 H 5.050 5.462 2.062 1.00 . A A . 15 LYS HD2 1 1
17 4572 1 1 14 LYS HD3 H 4.307 4.769 3.503 1.00 . A A . 15 LYS HD3 1 1
17 4573 1 1 14 LYS HE2 H 3.192 6.837 2.784 1.00 . A A . 15 LYS HE2 1 1
17 4574 1 1 14 LYS HE3 H 3.891 6.986 4.391 1.00 . A A . 15 LYS HE3 1 1
17 4575 1 1 14 LYS HG2 H 6.512 4.587 4.070 1.00 . A A . 15 LYS HG2 1 1
17 4576 1 1 14 LYS HG3 H 6.161 6.181 4.732 1.00 . A A . 15 LYS HG3 1 1
17 4577 1 1 14 LYS HZ1 H 5.670 8.275 3.539 1.00 . A A . 15 LYS HZ1 1 1
17 4578 1 1 14 LYS HZ2 H 4.239 8.932 2.912 1.00 . A A . 15 LYS HZ2 1 1
17 4579 1 1 14 LYS HZ3 H 5.228 7.970 1.929 1.00 . A A . 15 LYS HZ3 1 1
17 4580 1 1 14 LYS N N 7.027 4.524 1.160 1.00 . A A . 15 LYS N 1 1
17 4581 1 1 14 LYS NZ N 4.864 8.098 2.897 1.00 . A A . 15 LYS NZ 1 1
17 4582 1 1 14 LYS O O 8.576 3.840 3.839 1.00 . A A . 15 LYS O 1 1
17 4583 1 1 14 LYS OXT O 9.929 3.805 2.111 1.00 . A A . 15 LYS OXT 1 1
17 4584 2 2 1 . C1 C 8.612 -2.390 0.011 1.00 . B A . 101 OCA C1 1 1
17 4585 2 2 1 . C2 C 8.081 -2.421 1.438 1.00 . B A . 101 OCA C2 1 1
17 4586 2 2 1 . C3 C 9.190 -2.357 2.478 1.00 . B A . 101 OCA C3 1 1
17 4587 2 2 1 . C4 C 8.645 -2.505 3.889 1.00 . B A . 101 OCA C4 1 1
17 4588 2 2 1 . C5 C 8.503 -1.159 4.577 1.00 . B A . 101 OCA C5 1 1
17 4589 2 2 1 . C6 C 7.490 -1.219 5.708 1.00 . B A . 101 OCA C6 1 1
17 4590 2 2 1 . C7 C 7.712 -0.100 6.710 1.00 . B A . 101 OCA C7 1 1
17 4591 2 2 1 . C8 C 6.709 -0.153 7.842 1.00 . B A . 101 OCA C8 1 1
17 4592 2 2 1 . H21 H 7.426 -1.575 1.580 1.00 . B A . 101 OCA H21 1 1
17 4593 2 2 1 . H22 H 7.524 -3.336 1.581 1.00 . B A . 101 OCA H22 1 1
17 4594 2 2 1 . H31 H 9.892 -3.155 2.291 1.00 . B A . 101 OCA H31 1 1
17 4595 2 2 1 . H32 H 9.692 -1.405 2.397 1.00 . B A . 101 OCA H32 1 1
17 4596 2 2 1 . H41 H 7.676 -2.977 3.839 1.00 . B A . 101 OCA H41 1 1
17 4597 2 2 1 . H42 H 9.321 -3.124 4.461 1.00 . B A . 101 OCA H42 1 1
17 4598 2 2 1 . H51 H 9.461 -0.868 4.980 1.00 . B A . 101 OCA H51 1 1
17 4599 2 2 1 . H52 H 8.176 -0.428 3.853 1.00 . B A . 101 OCA H52 1 1
17 4600 2 2 1 . H61 H 6.498 -1.126 5.292 1.00 . B A . 101 OCA H61 1 1
17 4601 2 2 1 . H62 H 7.585 -2.169 6.213 1.00 . B A . 101 OCA H62 1 1
17 4602 2 2 1 . H71 H 7.612 0.852 6.208 1.00 . B A . 101 OCA H71 1 1
17 4603 2 2 1 . H72 H 8.703 -0.189 7.129 1.00 . B A . 101 OCA H72 1 1
17 4604 2 2 1 . H81 H 7.219 0.000 8.781 1.00 . B A . 101 OCA H81 1 1
17 4605 2 2 1 . H82 H 6.227 -1.119 7.847 1.00 . B A . 101 OCA H82 1 1
17 4606 2 2 1 . H83 H 5.967 0.620 7.704 1.00 . B A . 101 OCA H83 1 1
17 4607 2 2 1 . O1 O 8.943 -3.391 -0.622 1.00 . B A . 101 OCA O1 1 1
18 4608 1 1 1 PRO C C 7.279 -0.139 0.415 1.00 . A A . 2 PRO C 1 1
18 4609 1 1 1 PRO CA C 8.724 -0.593 0.629 1.00 . A A . 2 PRO CA 1 1
18 4610 1 1 1 PRO CB C 9.692 0.344 -0.087 1.00 . A A . 2 PRO CB 1 1
18 4611 1 1 1 PRO CD C 9.434 -1.682 -1.406 1.00 . A A . 2 PRO CD 1 1
18 4612 1 1 1 PRO CG C 9.837 -0.222 -1.466 1.00 . A A . 2 PRO CG 1 1
18 4613 1 1 1 PRO HA H 8.946 -0.612 1.686 1.00 . A A . 2 PRO HA 1 1
18 4614 1 1 1 PRO HB2 H 9.278 1.343 -0.110 1.00 . A A . 2 PRO HB2 1 1
18 4615 1 1 1 PRO HB3 H 10.637 0.354 0.434 1.00 . A A . 2 PRO HB3 1 1
18 4616 1 1 1 PRO HD2 H 8.618 -1.876 -2.086 1.00 . A A . 2 PRO HD2 1 1
18 4617 1 1 1 PRO HD3 H 10.279 -2.313 -1.641 1.00 . A A . 2 PRO HD3 1 1
18 4618 1 1 1 PRO HG2 H 9.191 0.312 -2.148 1.00 . A A . 2 PRO HG2 1 1
18 4619 1 1 1 PRO HG3 H 10.864 -0.134 -1.785 1.00 . A A . 2 PRO HG3 1 1
18 4620 1 1 1 PRO N N 9.011 -1.877 -0.009 1.00 . A A . 2 PRO N 1 1
18 4621 1 1 1 PRO O O 6.868 0.910 0.908 1.00 . A A . 2 PRO O 1 1
18 4622 1 1 2 CYS C C 4.257 -1.854 -0.297 1.00 . A A . 3 CYS C 1 1
18 4623 1 1 2 CYS CA C 5.126 -0.636 -0.599 1.00 . A A . 3 CYS CA 1 1
18 4624 1 1 2 CYS CB C 4.947 -0.218 -2.059 1.00 . A A . 3 CYS CB 1 1
18 4625 1 1 2 CYS H H 6.915 -1.750 -0.705 1.00 . A A . 3 CYS H 1 1
18 4626 1 1 2 CYS HA H 4.832 0.181 0.042 1.00 . A A . 3 CYS HA 1 1
18 4627 1 1 2 CYS HB2 H 5.225 -1.042 -2.697 1.00 . A A . 3 CYS HB2 1 1
18 4628 1 1 2 CYS HB3 H 3.908 0.028 -2.231 1.00 . A A . 3 CYS HB3 1 1
18 4629 1 1 2 CYS N N 6.522 -0.936 -0.328 1.00 . A A . 3 CYS N 1 1
18 4630 1 1 2 CYS O O 4.443 -2.916 -0.889 1.00 . A A . 3 CYS O 1 1
18 4631 1 1 2 CYS SG S 5.950 1.225 -2.549 1.00 . A A . 3 CYS SG 1 1
18 4632 1 1 3 LYS C C 0.978 -2.357 0.728 1.00 . A A . 4 LYS C 1 1
18 4633 1 1 3 LYS CA C 2.416 -2.782 0.983 1.00 . A A . 4 LYS CA 1 1
18 4634 1 1 3 LYS CB C 2.585 -3.172 2.458 1.00 . A A . 4 LYS CB 1 1
18 4635 1 1 3 LYS CD C 1.880 -5.581 2.168 1.00 . A A . 4 LYS CD 1 1
18 4636 1 1 3 LYS CE C 0.846 -6.634 2.543 1.00 . A A . 4 LYS CE 1 1
18 4637 1 1 3 LYS CG C 1.639 -4.275 2.914 1.00 . A A . 4 LYS CG 1 1
18 4638 1 1 3 LYS H H 3.227 -0.837 1.081 1.00 . A A . 4 LYS H 1 1
18 4639 1 1 3 LYS HA H 2.647 -3.633 0.362 1.00 . A A . 4 LYS HA 1 1
18 4640 1 1 3 LYS HB2 H 3.598 -3.510 2.616 1.00 . A A . 4 LYS HB2 1 1
18 4641 1 1 3 LYS HB3 H 2.406 -2.300 3.069 1.00 . A A . 4 LYS HB3 1 1
18 4642 1 1 3 LYS HD2 H 1.823 -5.393 1.106 1.00 . A A . 4 LYS HD2 1 1
18 4643 1 1 3 LYS HD3 H 2.863 -5.950 2.419 1.00 . A A . 4 LYS HD3 1 1
18 4644 1 1 3 LYS HE2 H 0.866 -6.774 3.614 1.00 . A A . 4 LYS HE2 1 1
18 4645 1 1 3 LYS HE3 H -0.129 -6.279 2.249 1.00 . A A . 4 LYS HE3 1 1
18 4646 1 1 3 LYS HG2 H 1.783 -4.447 3.970 1.00 . A A . 4 LYS HG2 1 1
18 4647 1 1 3 LYS HG3 H 0.622 -3.956 2.737 1.00 . A A . 4 LYS HG3 1 1
18 4648 1 1 3 LYS HZ1 H 0.333 -8.612 2.109 1.00 . A A . 4 LYS HZ1 1 1
18 4649 1 1 3 LYS HZ2 H 2.006 -8.343 2.219 1.00 . A A . 4 LYS HZ2 1 1
18 4650 1 1 3 LYS HZ3 H 1.151 -7.821 0.847 1.00 . A A . 4 LYS HZ3 1 1
18 4651 1 1 3 LYS N N 3.322 -1.702 0.630 1.00 . A A . 4 LYS N 1 1
18 4652 1 1 3 LYS NZ N 1.103 -7.940 1.884 1.00 . A A . 4 LYS NZ 1 1
18 4653 1 1 3 LYS O O 0.533 -1.321 1.223 1.00 . A A . 4 LYS O 1 1
18 4654 1 1 4 ASN C C -1.998 -3.926 0.455 1.00 . A A . 5 ASN C 1 1
18 4655 1 1 4 ASN CA C -1.153 -2.882 -0.277 1.00 . A A . 5 ASN CA 1 1
18 4656 1 1 4 ASN CB C -1.451 -2.948 -1.778 1.00 . A A . 5 ASN CB 1 1
18 4657 1 1 4 ASN CG C -0.491 -2.121 -2.617 1.00 . A A . 5 ASN CG 1 1
18 4658 1 1 4 ASN H H 0.665 -3.948 -0.436 1.00 . A A . 5 ASN H 1 1
18 4659 1 1 4 ASN HA H -1.375 -1.891 0.089 1.00 . A A . 5 ASN HA 1 1
18 4660 1 1 4 ASN HB2 H -1.385 -3.974 -2.105 1.00 . A A . 5 ASN HB2 1 1
18 4661 1 1 4 ASN HB3 H -2.454 -2.587 -1.953 1.00 . A A . 5 ASN HB3 1 1
18 4662 1 1 4 ASN HD21 H -1.692 -0.537 -2.503 1.00 . A A . 5 ASN HD21 1 1
18 4663 1 1 4 ASN HD22 H -0.243 -0.325 -3.430 1.00 . A A . 5 ASN HD22 1 1
18 4664 1 1 4 ASN N N 0.251 -3.157 -0.032 1.00 . A A . 5 ASN N 1 1
18 4665 1 1 4 ASN ND2 N -0.841 -0.869 -2.871 1.00 . A A . 5 ASN ND2 1 1
18 4666 1 1 4 ASN O O -1.982 -5.098 0.086 1.00 . A A . 5 ASN O 1 1
18 4667 1 1 4 ASN OD1 O 0.560 -2.610 -3.041 1.00 . A A . 5 ASN OD1 1 1
18 4668 1 1 5 . C C -4.796 -4.815 1.460 1.00 . A A . 6 O6H C 1 1
18 4669 1 1 5 . CA C -3.558 -4.430 2.255 1.00 . A A . 6 O6H CA 1 1
18 4670 1 1 5 . CB C -3.947 -3.845 3.617 1.00 . A A . 6 O6H CB 1 1
18 4671 1 1 5 . CD1 C -2.038 -4.546 5.127 1.00 . A A . 6 O6H CD1 1 1
18 4672 1 1 5 . CD2 C -2.344 -2.227 4.689 1.00 . A A . 6 O6H CD2 1 1
18 4673 1 1 5 . CE1 C -0.943 -4.256 5.921 1.00 . A A . 6 O6H CE1 1 1
18 4674 1 1 5 . CE2 C -1.256 -1.923 5.480 1.00 . A A . 6 O6H CE2 1 1
18 4675 1 1 5 . CF1 C -2.450 -5.979 4.949 1.00 . A A . 6 O6H CF1 1 1
18 4676 1 1 5 . CF2 C -3.098 -1.114 4.034 1.00 . A A . 6 O6H CF2 1 1
18 4677 1 1 5 . CG C -2.758 -3.535 4.495 1.00 . A A . 6 O6H CG 1 1
18 4678 1 1 5 . CH C 0.628 -2.614 6.947 1.00 . A A . 6 O6H CH 1 1
18 4679 1 1 5 . CZ C -0.559 -2.942 6.091 1.00 . A A . 6 O6H CZ 1 1
18 4680 1 1 5 . H1 H -2.621 -2.593 1.819 1.00 . A A . 6 O6H H1 1 1
18 4681 1 1 5 . HA H -2.985 -5.329 2.429 1.00 . A A . 6 O6H HA 1 1
18 4682 1 1 5 . HB1 H -4.573 -4.552 4.140 1.00 . A A . 6 O6H HB1 1 1
18 4683 1 1 5 . HB2 H -4.495 -2.928 3.463 1.00 . A A . 6 O6H HB2 1 1
18 4684 1 1 5 . HE1 H -0.396 -5.051 6.404 1.00 . A A . 6 O6H HE1 1 1
18 4685 1 1 5 . HE2 H -0.952 -0.897 5.616 1.00 . A A . 6 O6H HE2 1 1
18 4686 1 1 5 . HF11 H -2.467 -6.538 5.873 1.00 . A A . 6 O6H HF11 1 1
18 4687 1 1 5 . HF12 H -1.795 -6.532 4.292 1.00 . A A . 6 O6H HF12 1 1
18 4688 1 1 5 . HF13 H -3.438 -6.093 4.528 1.00 . A A . 6 O6H HF13 1 1
18 4689 1 1 5 . HF21 H -4.089 -0.974 4.437 1.00 . A A . 6 O6H HF21 1 1
18 4690 1 1 5 . HF22 H -2.612 -0.153 4.131 1.00 . A A . 6 O6H HF22 1 1
18 4691 1 1 5 . HF23 H -3.237 -1.258 2.973 1.00 . A A . 6 O6H HF23 1 1
18 4692 1 1 5 . HH1 H 0.373 -2.050 7.832 1.00 . A A . 6 O6H HH1 1 1
18 4693 1 1 5 . HH2 H 1.156 -3.486 7.304 1.00 . A A . 6 O6H HH2 1 1
18 4694 1 1 5 . HH3 H 1.371 -2.020 6.435 1.00 . A A . 6 O6H HH3 1 1
18 4695 1 1 5 . N N -2.695 -3.519 1.514 1.00 . A A . 6 O6H N 1 1
18 4696 1 1 5 . O O -5.252 -5.953 1.515 1.00 . A A . 6 O6H O 1 1
18 4697 1 1 6 PHE C C -6.492 -4.114 -1.417 1.00 . A A . 7 PHE C 1 1
18 4698 1 1 6 PHE CA C -6.649 -4.058 0.095 1.00 . A A . 7 PHE CA 1 1
18 4699 1 1 6 PHE CB C -7.630 -2.939 0.463 1.00 . A A . 7 PHE CB 1 1
18 4700 1 1 6 PHE CD1 C -7.892 -3.352 2.926 1.00 . A A . 7 PHE CD1 1 1
18 4701 1 1 6 PHE CD2 C -7.082 -1.227 2.208 1.00 . A A . 7 PHE CD2 1 1
18 4702 1 1 6 PHE CE1 C -7.793 -2.946 4.243 1.00 . A A . 7 PHE CE1 1 1
18 4703 1 1 6 PHE CE2 C -6.984 -0.815 3.520 1.00 . A A . 7 PHE CE2 1 1
18 4704 1 1 6 PHE CG C -7.538 -2.499 1.896 1.00 . A A . 7 PHE CG 1 1
18 4705 1 1 6 PHE CZ C -7.338 -1.675 4.540 1.00 . A A . 7 PHE CZ 1 1
18 4706 1 1 6 PHE H H -4.917 -2.985 0.673 1.00 . A A . 7 PHE H 1 1
18 4707 1 1 6 PHE HA H -7.048 -5.000 0.441 1.00 . A A . 7 PHE HA 1 1
18 4708 1 1 6 PHE HB2 H -7.436 -2.081 -0.160 1.00 . A A . 7 PHE HB2 1 1
18 4709 1 1 6 PHE HB3 H -8.639 -3.285 0.286 1.00 . A A . 7 PHE HB3 1 1
18 4710 1 1 6 PHE HD1 H -8.249 -4.345 2.693 1.00 . A A . 7 PHE HD1 1 1
18 4711 1 1 6 PHE HD2 H -6.804 -0.554 1.411 1.00 . A A . 7 PHE HD2 1 1
18 4712 1 1 6 PHE HE1 H -8.073 -3.620 5.038 1.00 . A A . 7 PHE HE1 1 1
18 4713 1 1 6 PHE HE2 H -6.629 0.180 3.750 1.00 . A A . 7 PHE HE2 1 1
18 4714 1 1 6 PHE HZ H -7.256 -1.356 5.567 1.00 . A A . 7 PHE HZ 1 1
18 4715 1 1 6 PHE N N -5.364 -3.849 0.752 1.00 . A A . 7 PHE N 1 1
18 4716 1 1 6 PHE O O -7.371 -4.603 -2.123 1.00 . A A . 7 PHE O 1 1
18 4717 1 1 7 DTR C C -4.806 -2.100 -3.788 1.00 . A A . 8 DTR C 1 1
18 4718 1 1 7 DTR CA C -5.151 -3.527 -3.345 1.00 . A A . 8 DTR CA 1 1
18 4719 1 1 7 DTR CB C -4.035 -4.497 -3.757 1.00 . A A . 8 DTR CB 1 1
18 4720 1 1 7 DTR CD1 C -4.500 -5.381 -6.115 1.00 . A A . 8 DTR CD1 1 1
18 4721 1 1 7 DTR CD2 C -2.924 -3.793 -6.034 1.00 . A A . 8 DTR CD2 1 1
18 4722 1 1 7 DTR CE2 C -3.092 -4.190 -7.372 1.00 . A A . 8 DTR CE2 1 1
18 4723 1 1 7 DTR CE3 C -1.982 -2.800 -5.739 1.00 . A A . 8 DTR CE3 1 1
18 4724 1 1 7 DTR CG C -3.838 -4.568 -5.243 1.00 . A A . 8 DTR CG 1 1
18 4725 1 1 7 DTR CH2 C -1.442 -2.660 -8.097 1.00 . A A . 8 DTR CH2 1 1
18 4726 1 1 7 DTR CZ2 C -2.357 -3.628 -8.414 1.00 . A A . 8 DTR CZ2 1 1
18 4727 1 1 7 DTR CZ3 C -1.252 -2.245 -6.773 1.00 . A A . 8 DTR CZ3 1 1
18 4728 1 1 7 DTR H H -4.707 -3.223 -1.307 1.00 . A A . 8 DTR H 1 1
18 4729 1 1 7 DTR HA H -6.047 -3.874 -3.843 1.00 . A A . 8 DTR HA 1 1
18 4730 1 1 7 DTR HB2 H -3.106 -4.177 -3.310 1.00 . A A . 8 DTR HB2 1 1
18 4731 1 1 7 DTR HB3 H -4.279 -5.488 -3.402 1.00 . A A . 8 DTR HB3 1 1
18 4732 1 1 7 DTR HD1 H -5.263 -6.090 -5.826 1.00 . A A . 8 DTR HD1 1 1
18 4733 1 1 7 DTR HE1 H -4.385 -5.627 -8.204 1.00 . A A . 8 DTR HE1 1 1
18 4734 1 1 7 DTR HE3 H -1.819 -2.468 -4.724 1.00 . A A . 8 DTR HE3 1 1
18 4735 1 1 7 DTR HH2 H -0.850 -2.199 -8.874 1.00 . A A . 8 DTR HH2 1 1
18 4736 1 1 7 DTR HZ2 H -2.493 -3.933 -9.440 1.00 . A A . 8 DTR HZ2 1 1
18 4737 1 1 7 DTR HZ3 H -0.521 -1.477 -6.562 1.00 . A A . 8 DTR HZ3 1 1
18 4738 1 1 7 DTR N N -5.383 -3.583 -1.914 1.00 . A A . 8 DTR N 1 1
18 4739 1 1 7 DTR NE1 N -4.059 -5.160 -7.396 1.00 . A A . 8 DTR NE1 1 1
18 4740 1 1 7 DTR O O -3.925 -1.471 -3.202 1.00 . A A . 8 DTR O 1 1
18 4741 1 1 8 LYS C C -5.883 0.845 -4.649 1.00 . A A . 9 LYS C 1 1
18 4742 1 1 8 LYS CA C -5.162 -0.285 -5.372 1.00 . A A . 9 LYS CA 1 1
18 4743 1 1 8 LYS CB C -5.499 -0.269 -6.867 1.00 . A A . 9 LYS CB 1 1
18 4744 1 1 8 LYS CD C -7.222 -0.659 -8.664 1.00 . A A . 9 LYS CD 1 1
18 4745 1 1 8 LYS CE C -6.378 -1.702 -9.377 1.00 . A A . 9 LYS CE 1 1
18 4746 1 1 8 LYS CG C -6.943 -0.637 -7.171 1.00 . A A . 9 LYS CG 1 1
18 4747 1 1 8 LYS H H -6.299 -2.049 -5.137 1.00 . A A . 9 LYS H 1 1
18 4748 1 1 8 LYS HA H -4.097 -0.149 -5.253 1.00 . A A . 9 LYS HA 1 1
18 4749 1 1 8 LYS HB2 H -5.316 0.722 -7.255 1.00 . A A . 9 LYS HB2 1 1
18 4750 1 1 8 LYS HB3 H -4.857 -0.969 -7.379 1.00 . A A . 9 LYS HB3 1 1
18 4751 1 1 8 LYS HD2 H -8.266 -0.889 -8.821 1.00 . A A . 9 LYS HD2 1 1
18 4752 1 1 8 LYS HD3 H -7.001 0.315 -9.075 1.00 . A A . 9 LYS HD3 1 1
18 4753 1 1 8 LYS HE2 H -5.338 -1.425 -9.291 1.00 . A A . 9 LYS HE2 1 1
18 4754 1 1 8 LYS HE3 H -6.536 -2.660 -8.903 1.00 . A A . 9 LYS HE3 1 1
18 4755 1 1 8 LYS HG2 H -7.145 -1.617 -6.764 1.00 . A A . 9 LYS HG2 1 1
18 4756 1 1 8 LYS HG3 H -7.592 0.088 -6.703 1.00 . A A . 9 LYS HG3 1 1
18 4757 1 1 8 LYS HZ1 H -6.651 -0.878 -11.280 1.00 . A A . 9 LYS HZ1 1 1
18 4758 1 1 8 LYS HZ2 H -7.707 -2.155 -10.923 1.00 . A A . 9 LYS HZ2 1 1
18 4759 1 1 8 LYS HZ3 H -6.087 -2.477 -11.297 1.00 . A A . 9 LYS HZ3 1 1
18 4760 1 1 8 LYS N N -5.510 -1.576 -4.791 1.00 . A A . 9 LYS N 1 1
18 4761 1 1 8 LYS NZ N -6.730 -1.811 -10.818 1.00 . A A . 9 LYS NZ 1 1
18 4762 1 1 8 LYS O O -5.718 2.017 -4.980 1.00 . A A . 9 LYS O 1 1
18 4763 1 1 9 THR C C -6.487 2.089 -1.792 1.00 . A A . 10 THR C 1 1
18 4764 1 1 9 THR CA C -7.402 1.454 -2.848 1.00 . A A . 10 THR CA 1 1
18 4765 1 1 9 THR CB C -8.606 0.782 -2.155 1.00 . A A . 10 THR CB 1 1
18 4766 1 1 9 THR CG2 C -9.556 1.818 -1.567 1.00 . A A . 10 THR CG2 1 1
18 4767 1 1 9 THR H H -6.806 -0.478 -3.472 1.00 . A A . 10 THR H 1 1
18 4768 1 1 9 THR HA H -7.772 2.224 -3.506 1.00 . A A . 10 THR HA 1 1
18 4769 1 1 9 THR HB H -8.240 0.153 -1.354 1.00 . A A . 10 THR HB 1 1
18 4770 1 1 9 THR HG1 H -9.547 0.521 -3.872 1.00 . A A . 10 THR HG1 1 1
18 4771 1 1 9 THR HG21 H -9.929 2.455 -2.355 1.00 . A A . 10 THR HG21 1 1
18 4772 1 1 9 THR HG22 H -9.031 2.417 -0.838 1.00 . A A . 10 THR HG22 1 1
18 4773 1 1 9 THR HG23 H -10.384 1.316 -1.089 1.00 . A A . 10 THR HG23 1 1
18 4774 1 1 9 THR N N -6.675 0.478 -3.648 1.00 . A A . 10 THR N 1 1
18 4775 1 1 9 THR O O -6.738 3.197 -1.317 1.00 . A A . 10 THR O 1 1
18 4776 1 1 9 THR OG1 O -9.310 -0.026 -3.106 1.00 . A A . 10 THR OG1 1 1
18 4777 1 1 10 PHE C C -3.045 1.952 -1.102 1.00 . A A . 11 PHE C 1 1
18 4778 1 1 10 PHE CA C -4.461 1.910 -0.476 1.00 . A A . 11 PHE CA 1 1
18 4779 1 1 10 PHE CB C -4.440 1.000 0.754 1.00 . A A . 11 PHE CB 1 1
18 4780 1 1 10 PHE CD1 C -4.342 2.294 2.904 1.00 . A A . 11 PHE CD1 1 1
18 4781 1 1 10 PHE CD2 C -2.308 1.406 2.025 1.00 . A A . 11 PHE CD2 1 1
18 4782 1 1 10 PHE CE1 C -3.650 2.826 3.975 1.00 . A A . 11 PHE CE1 1 1
18 4783 1 1 10 PHE CE2 C -1.611 1.935 3.095 1.00 . A A . 11 PHE CE2 1 1
18 4784 1 1 10 PHE CG C -3.679 1.578 1.917 1.00 . A A . 11 PHE CG 1 1
18 4785 1 1 10 PHE CZ C -2.284 2.646 4.071 1.00 . A A . 11 PHE CZ 1 1
18 4786 1 1 10 PHE H H -5.229 0.537 -1.878 1.00 . A A . 11 PHE H 1 1
18 4787 1 1 10 PHE HA H -4.800 2.885 -0.167 1.00 . A A . 11 PHE HA 1 1
18 4788 1 1 10 PHE HB2 H -5.455 0.821 1.076 1.00 . A A . 11 PHE HB2 1 1
18 4789 1 1 10 PHE HB3 H -3.981 0.059 0.489 1.00 . A A . 11 PHE HB3 1 1
18 4790 1 1 10 PHE HD1 H -5.410 2.434 2.831 1.00 . A A . 11 PHE HD1 1 1
18 4791 1 1 10 PHE HD2 H -1.781 0.849 1.262 1.00 . A A . 11 PHE HD2 1 1
18 4792 1 1 10 PHE HE1 H -4.177 3.383 4.736 1.00 . A A . 11 PHE HE1 1 1
18 4793 1 1 10 PHE HE2 H -0.543 1.793 3.168 1.00 . A A . 11 PHE HE2 1 1
18 4794 1 1 10 PHE HZ H -1.742 3.061 4.908 1.00 . A A . 11 PHE HZ 1 1
18 4795 1 1 10 PHE N N -5.407 1.398 -1.450 1.00 . A A . 11 PHE N 1 1
18 4796 1 1 10 PHE O O -2.482 0.889 -1.359 1.00 . A A . 11 PHE O 1 1
18 4797 1 1 11 THR C C -0.243 4.079 -0.988 1.00 . A A . 12 THR C 1 1
18 4798 1 1 11 THR CA C -1.094 3.175 -1.877 1.00 . A A . 12 THR CA 1 1
18 4799 1 1 11 THR CB C -1.042 3.683 -3.330 1.00 . A A . 12 THR CB 1 1
18 4800 1 1 11 THR CG2 C 0.361 3.547 -3.906 1.00 . A A . 12 THR CG2 1 1
18 4801 1 1 11 THR H H -2.948 3.981 -1.325 1.00 . A A . 12 THR H 1 1
18 4802 1 1 11 THR HA H -0.692 2.172 -1.849 1.00 . A A . 12 THR HA 1 1
18 4803 1 1 11 THR HB H -1.323 4.726 -3.344 1.00 . A A . 12 THR HB 1 1
18 4804 1 1 11 THR HG1 H -2.768 2.772 -3.622 1.00 . A A . 12 THR HG1 1 1
18 4805 1 1 11 THR HG21 H 0.653 2.507 -3.891 1.00 . A A . 12 THR HG21 1 1
18 4806 1 1 11 THR HG22 H 1.054 4.126 -3.311 1.00 . A A . 12 THR HG22 1 1
18 4807 1 1 11 THR HG23 H 0.369 3.909 -4.923 1.00 . A A . 12 THR HG23 1 1
18 4808 1 1 11 THR N N -2.460 3.133 -1.393 1.00 . A A . 12 THR N 1 1
18 4809 1 1 11 THR O O -0.444 5.293 -0.948 1.00 . A A . 12 THR O 1 1
18 4810 1 1 11 THR OG1 O -1.968 2.938 -4.134 1.00 . A A . 12 THR OG1 1 1
18 4811 1 1 12 SER C C 3.038 3.784 0.339 1.00 . A A . 13 SER C 1 1
18 4812 1 1 12 SER CA C 1.595 4.234 0.588 1.00 . A A . 13 SER CA 1 1
18 4813 1 1 12 SER CB C 1.228 4.067 2.065 1.00 . A A . 13 SER CB 1 1
18 4814 1 1 12 SER H H 0.742 2.501 -0.262 1.00 . A A . 13 SER H 1 1
18 4815 1 1 12 SER HA H 1.492 5.275 0.323 1.00 . A A . 13 SER HA 1 1
18 4816 1 1 12 SER HB2 H 1.250 3.018 2.323 1.00 . A A . 13 SER HB2 1 1
18 4817 1 1 12 SER HB3 H 1.938 4.604 2.677 1.00 . A A . 13 SER HB3 1 1
18 4818 1 1 12 SER HG H -0.398 5.023 1.533 1.00 . A A . 13 SER HG 1 1
18 4819 1 1 12 SER N N 0.677 3.478 -0.247 1.00 . A A . 13 SER N 1 1
18 4820 1 1 12 SER O O 3.400 2.647 0.644 1.00 . A A . 13 SER O 1 1
18 4821 1 1 12 SER OG O -0.073 4.572 2.322 1.00 . A A . 13 SER OG 1 1
18 4822 1 1 13 CYS C C 6.101 5.511 0.022 1.00 . A A . 14 CYS C 1 1
18 4823 1 1 13 CYS CA C 5.244 4.369 -0.500 1.00 . A A . 14 CYS CA 1 1
18 4824 1 1 13 CYS CB C 5.482 4.165 -1.997 1.00 . A A . 14 CYS CB 1 1
18 4825 1 1 13 CYS H H 3.493 5.537 -0.525 1.00 . A A . 14 CYS H 1 1
18 4826 1 1 13 CYS HA H 5.499 3.463 0.031 1.00 . A A . 14 CYS HA 1 1
18 4827 1 1 13 CYS HB2 H 5.153 5.045 -2.529 1.00 . A A . 14 CYS HB2 1 1
18 4828 1 1 13 CYS HB3 H 6.538 4.019 -2.170 1.00 . A A . 14 CYS HB3 1 1
18 4829 1 1 13 CYS N N 3.845 4.661 -0.250 1.00 . A A . 14 CYS N 1 1
18 4830 1 1 13 CYS O O 5.843 6.678 -0.280 1.00 . A A . 14 CYS O 1 1
18 4831 1 1 13 CYS SG S 4.600 2.732 -2.701 1.00 . A A . 14 CYS SG 1 1
18 4832 1 1 14 LYS C C 8.935 6.772 0.384 1.00 . A A . 15 LYS C 1 1
18 4833 1 1 14 LYS CA C 7.976 6.176 1.417 1.00 . A A . 15 LYS CA 1 1
18 4834 1 1 14 LYS CB C 8.737 5.572 2.608 1.00 . A A . 15 LYS CB 1 1
18 4835 1 1 14 LYS CD C 10.185 3.714 3.494 1.00 . A A . 15 LYS CD 1 1
18 4836 1 1 14 LYS CE C 11.291 2.735 3.129 1.00 . A A . 15 LYS CE 1 1
18 4837 1 1 14 LYS CG C 9.584 4.357 2.258 1.00 . A A . 15 LYS CG 1 1
18 4838 1 1 14 LYS H H 7.289 4.226 0.977 1.00 . A A . 15 LYS H 1 1
18 4839 1 1 14 LYS HA H 7.338 6.967 1.781 1.00 . A A . 15 LYS HA 1 1
18 4840 1 1 14 LYS HB2 H 9.390 6.329 3.018 1.00 . A A . 15 LYS HB2 1 1
18 4841 1 1 14 LYS HB3 H 8.023 5.280 3.364 1.00 . A A . 15 LYS HB3 1 1
18 4842 1 1 14 LYS HD2 H 10.596 4.487 4.127 1.00 . A A . 15 LYS HD2 1 1
18 4843 1 1 14 LYS HD3 H 9.407 3.186 4.028 1.00 . A A . 15 LYS HD3 1 1
18 4844 1 1 14 LYS HE2 H 11.510 2.118 3.990 1.00 . A A . 15 LYS HE2 1 1
18 4845 1 1 14 LYS HE3 H 10.948 2.110 2.317 1.00 . A A . 15 LYS HE3 1 1
18 4846 1 1 14 LYS HG2 H 8.965 3.633 1.751 1.00 . A A . 15 LYS HG2 1 1
18 4847 1 1 14 LYS HG3 H 10.384 4.670 1.602 1.00 . A A . 15 LYS HG3 1 1
18 4848 1 1 14 LYS HZ1 H 13.008 3.856 3.542 1.00 . A A . 15 LYS HZ1 1 1
18 4849 1 1 14 LYS HZ2 H 12.308 4.205 2.038 1.00 . A A . 15 LYS HZ2 1 1
18 4850 1 1 14 LYS HZ3 H 13.190 2.772 2.247 1.00 . A A . 15 LYS HZ3 1 1
18 4851 1 1 14 LYS N N 7.113 5.174 0.808 1.00 . A A . 15 LYS N 1 1
18 4852 1 1 14 LYS NZ N 12.535 3.439 2.709 1.00 . A A . 15 LYS NZ 1 1
18 4853 1 1 14 LYS O O 9.818 6.043 -0.120 1.00 . A A . 15 LYS O 1 1
18 4854 1 1 14 LYS OXT O 8.798 7.971 0.072 1.00 . A A . 15 LYS OXT 1 1
18 4855 2 2 1 . C1 C 8.944 -3.077 0.619 1.00 . B A . 101 OCA C1 1 1
18 4856 2 2 1 . C2 C 8.584 -2.904 2.089 1.00 . B A . 101 OCA C2 1 1
18 4857 2 2 1 . C3 C 7.084 -2.936 2.344 1.00 . B A . 101 OCA C3 1 1
18 4858 2 2 1 . C4 C 6.729 -3.876 3.483 1.00 . B A . 101 OCA C4 1 1
18 4859 2 2 1 . C5 C 6.732 -3.157 4.822 1.00 . B A . 101 OCA C5 1 1
18 4860 2 2 1 . C6 C 5.374 -3.244 5.505 1.00 . B A . 101 OCA C6 1 1
18 4861 2 2 1 . C7 C 5.510 -3.384 7.017 1.00 . B A . 101 OCA C7 1 1
18 4862 2 2 1 . C8 C 6.169 -2.173 7.642 1.00 . B A . 101 OCA C8 1 1
18 4863 2 2 1 . H21 H 8.972 -1.953 2.427 1.00 . B A . 101 OCA H21 1 1
18 4864 2 2 1 . H22 H 9.048 -3.701 2.652 1.00 . B A . 101 OCA H22 1 1
18 4865 2 2 1 . H31 H 6.751 -1.940 2.598 1.00 . B A . 101 OCA H31 1 1
18 4866 2 2 1 . H32 H 6.582 -3.267 1.447 1.00 . B A . 101 OCA H32 1 1
18 4867 2 2 1 . H41 H 5.744 -4.284 3.307 1.00 . B A . 101 OCA H41 1 1
18 4868 2 2 1 . H42 H 7.452 -4.680 3.516 1.00 . B A . 101 OCA H42 1 1
18 4869 2 2 1 . H51 H 7.476 -3.609 5.461 1.00 . B A . 101 OCA H51 1 1
18 4870 2 2 1 . H52 H 6.977 -2.118 4.658 1.00 . B A . 101 OCA H52 1 1
18 4871 2 2 1 . H61 H 4.813 -2.347 5.288 1.00 . B A . 101 OCA H61 1 1
18 4872 2 2 1 . H62 H 4.845 -4.104 5.123 1.00 . B A . 101 OCA H62 1 1
18 4873 2 2 1 . H71 H 6.114 -4.251 7.237 1.00 . B A . 101 OCA H71 1 1
18 4874 2 2 1 . H72 H 4.529 -3.503 7.452 1.00 . B A . 101 OCA H72 1 1
18 4875 2 2 1 . H81 H 6.488 -2.417 8.644 1.00 . B A . 101 OCA H81 1 1
18 4876 2 2 1 . H82 H 5.463 -1.355 7.678 1.00 . B A . 101 OCA H82 1 1
18 4877 2 2 1 . H83 H 7.026 -1.884 7.051 1.00 . B A . 101 OCA H83 1 1
18 4878 2 2 1 . O1 O 9.088 -4.172 0.073 1.00 . B A . 101 OCA O1 1 1
19 4879 1 1 1 PRO C C 7.107 0.134 0.431 1.00 . A A . 2 PRO C 1 1
19 4880 1 1 1 PRO CA C 8.527 -0.276 0.822 1.00 . A A . 2 PRO CA 1 1
19 4881 1 1 1 PRO CB C 9.555 0.470 -0.046 1.00 . A A . 2 PRO CB 1 1
19 4882 1 1 1 PRO CD C 9.575 -1.845 -0.681 1.00 . A A . 2 PRO CD 1 1
19 4883 1 1 1 PRO CG C 10.394 -0.589 -0.693 1.00 . A A . 2 PRO CG 1 1
19 4884 1 1 1 PRO HA H 8.692 -0.041 1.863 1.00 . A A . 2 PRO HA 1 1
19 4885 1 1 1 PRO HB2 H 9.038 1.062 -0.785 1.00 . A A . 2 PRO HB2 1 1
19 4886 1 1 1 PRO HB3 H 10.153 1.114 0.580 1.00 . A A . 2 PRO HB3 1 1
19 4887 1 1 1 PRO HD2 H 8.932 -1.888 -1.550 1.00 . A A . 2 PRO HD2 1 1
19 4888 1 1 1 PRO HD3 H 10.212 -2.715 -0.633 1.00 . A A . 2 PRO HD3 1 1
19 4889 1 1 1 PRO HG2 H 10.624 -0.303 -1.709 1.00 . A A . 2 PRO HG2 1 1
19 4890 1 1 1 PRO HG3 H 11.304 -0.730 -0.129 1.00 . A A . 2 PRO HG3 1 1
19 4891 1 1 1 PRO N N 8.796 -1.695 0.546 1.00 . A A . 2 PRO N 1 1
19 4892 1 1 1 PRO O O 6.655 1.232 0.749 1.00 . A A . 2 PRO O 1 1
19 4893 1 1 2 CYS C C 4.174 -1.632 -0.004 1.00 . A A . 3 CYS C 1 1
19 4894 1 1 2 CYS CA C 5.032 -0.550 -0.642 1.00 . A A . 3 CYS CA 1 1
19 4895 1 1 2 CYS CB C 4.865 -0.581 -2.163 1.00 . A A . 3 CYS CB 1 1
19 4896 1 1 2 CYS H H 6.876 -1.575 -0.569 1.00 . A A . 3 CYS H 1 1
19 4897 1 1 2 CYS HA H 4.724 0.415 -0.269 1.00 . A A . 3 CYS HA 1 1
19 4898 1 1 2 CYS HB2 H 5.302 -1.492 -2.546 1.00 . A A . 3 CYS HB2 1 1
19 4899 1 1 2 CYS HB3 H 3.813 -0.564 -2.402 1.00 . A A . 3 CYS HB3 1 1
19 4900 1 1 2 CYS N N 6.426 -0.753 -0.277 1.00 . A A . 3 CYS N 1 1
19 4901 1 1 2 CYS O O 4.424 -2.821 -0.197 1.00 . A A . 3 CYS O 1 1
19 4902 1 1 2 CYS SG S 5.655 0.815 -3.022 1.00 . A A . 3 CYS SG 1 1
19 4903 1 1 3 LYS C C 0.847 -1.866 1.064 1.00 . A A . 4 LYS C 1 1
19 4904 1 1 3 LYS CA C 2.294 -2.180 1.416 1.00 . A A . 4 LYS CA 1 1
19 4905 1 1 3 LYS CB C 2.485 -2.127 2.935 1.00 . A A . 4 LYS CB 1 1
19 4906 1 1 3 LYS CD C 2.813 -4.600 3.260 1.00 . A A . 4 LYS CD 1 1
19 4907 1 1 3 LYS CE C 2.458 -5.819 4.102 1.00 . A A . 4 LYS CE 1 1
19 4908 1 1 3 LYS CG C 2.009 -3.373 3.669 1.00 . A A . 4 LYS CG 1 1
19 4909 1 1 3 LYS H H 3.028 -0.266 0.897 1.00 . A A . 4 LYS H 1 1
19 4910 1 1 3 LYS HA H 2.539 -3.167 1.058 1.00 . A A . 4 LYS HA 1 1
19 4911 1 1 3 LYS HB2 H 3.531 -1.991 3.148 1.00 . A A . 4 LYS HB2 1 1
19 4912 1 1 3 LYS HB3 H 1.939 -1.279 3.322 1.00 . A A . 4 LYS HB3 1 1
19 4913 1 1 3 LYS HD2 H 2.607 -4.823 2.225 1.00 . A A . 4 LYS HD2 1 1
19 4914 1 1 3 LYS HD3 H 3.865 -4.385 3.382 1.00 . A A . 4 LYS HD3 1 1
19 4915 1 1 3 LYS HE2 H 3.029 -6.664 3.749 1.00 . A A . 4 LYS HE2 1 1
19 4916 1 1 3 LYS HE3 H 2.718 -5.617 5.132 1.00 . A A . 4 LYS HE3 1 1
19 4917 1 1 3 LYS HG2 H 2.121 -3.218 4.731 1.00 . A A . 4 LYS HG2 1 1
19 4918 1 1 3 LYS HG3 H 0.968 -3.542 3.435 1.00 . A A . 4 LYS HG3 1 1
19 4919 1 1 3 LYS HZ1 H 0.822 -7.055 4.512 1.00 . A A . 4 LYS HZ1 1 1
19 4920 1 1 3 LYS HZ2 H 0.714 -6.235 3.030 1.00 . A A . 4 LYS HZ2 1 1
19 4921 1 1 3 LYS HZ3 H 0.451 -5.406 4.480 1.00 . A A . 4 LYS HZ3 1 1
19 4922 1 1 3 LYS N N 3.177 -1.226 0.767 1.00 . A A . 4 LYS N 1 1
19 4923 1 1 3 LYS NZ N 1.011 -6.149 4.027 1.00 . A A . 4 LYS NZ 1 1
19 4924 1 1 3 LYS O O 0.308 -0.841 1.485 1.00 . A A . 4 LYS O 1 1
19 4925 1 1 4 ASN C C -1.998 -3.683 0.495 1.00 . A A . 5 ASN C 1 1
19 4926 1 1 4 ASN CA C -1.166 -2.546 -0.099 1.00 . A A . 5 ASN CA 1 1
19 4927 1 1 4 ASN CB C -1.328 -2.550 -1.626 1.00 . A A . 5 ASN CB 1 1
19 4928 1 1 4 ASN CG C -0.455 -1.525 -2.329 1.00 . A A . 5 ASN CG 1 1
19 4929 1 1 4 ASN H H 0.726 -3.502 -0.092 1.00 . A A . 5 ASN H 1 1
19 4930 1 1 4 ASN HA H -1.499 -1.595 0.291 1.00 . A A . 5 ASN HA 1 1
19 4931 1 1 4 ASN HB2 H -1.069 -3.529 -2.003 1.00 . A A . 5 ASN HB2 1 1
19 4932 1 1 4 ASN HB3 H -2.360 -2.342 -1.869 1.00 . A A . 5 ASN HB3 1 1
19 4933 1 1 4 ASN HD21 H 1.009 -2.857 -2.504 1.00 . A A . 5 ASN HD21 1 1
19 4934 1 1 4 ASN HD22 H 1.327 -1.292 -3.167 1.00 . A A . 5 ASN HD22 1 1
19 4935 1 1 4 ASN N N 0.230 -2.727 0.265 1.00 . A A . 5 ASN N 1 1
19 4936 1 1 4 ASN ND2 N 0.749 -1.931 -2.703 1.00 . A A . 5 ASN ND2 1 1
19 4937 1 1 4 ASN O O -1.877 -4.828 0.058 1.00 . A A . 5 ASN O 1 1
19 4938 1 1 4 ASN OD1 O -0.858 -0.383 -2.539 1.00 . A A . 5 ASN OD1 1 1
19 4939 1 1 5 . C C -4.778 -4.883 1.204 1.00 . A A . 6 O6H C 1 1
19 4940 1 1 5 . CA C -3.656 -4.414 2.123 1.00 . A A . 6 O6H CA 1 1
19 4941 1 1 5 . CB C -4.230 -3.937 3.460 1.00 . A A . 6 O6H CB 1 1
19 4942 1 1 5 . CD1 C -2.434 -4.620 5.111 1.00 . A A . 6 O6H CD1 1 1
19 4943 1 1 5 . CD2 C -2.913 -2.302 4.850 1.00 . A A . 6 O6H CD2 1 1
19 4944 1 1 5 . CE1 C -1.463 -4.319 6.048 1.00 . A A . 6 O6H CE1 1 1
19 4945 1 1 5 . CE2 C -1.951 -1.988 5.786 1.00 . A A . 6 O6H CE2 1 1
19 4946 1 1 5 . CF1 C -2.686 -6.058 4.763 1.00 . A A . 6 O6H CF1 1 1
19 4947 1 1 5 . CF2 C -3.699 -1.197 4.220 1.00 . A A . 6 O6H CF2 1 1
19 4948 1 1 5 . CG C -3.176 -3.616 4.493 1.00 . A A . 6 O6H CG 1 1
19 4949 1 1 5 . CH C -0.176 -2.656 7.391 1.00 . A A . 6 O6H CH 1 1
19 4950 1 1 5 . CZ C -1.228 -2.999 6.379 1.00 . A A . 6 O6H CZ 1 1
19 4951 1 1 5 . H1 H -2.863 -2.474 1.845 1.00 . A A . 6 O6H H1 1 1
19 4952 1 1 5 . HA H -3.013 -5.262 2.317 1.00 . A A . 6 O6H HA 1 1
19 4953 1 1 5 . HB1 H -4.866 -4.709 3.861 1.00 . A A . 6 O6H HB1 1 1
19 4954 1 1 5 . HB2 H -4.814 -3.044 3.293 1.00 . A A . 6 O6H HB2 1 1
19 4955 1 1 5 . HE1 H -0.894 -5.108 6.516 1.00 . A A . 6 O6H HE1 1 1
19 4956 1 1 5 . HE2 H -1.765 -0.959 6.049 1.00 . A A . 6 O6H HE2 1 1
19 4957 1 1 5 . HF11 H -3.204 -6.604 5.540 1.00 . A A . 6 O6H HF11 1 1
19 4958 1 1 5 . HF12 H -3.289 -6.184 3.877 1.00 . A A . 6 O6H HF12 1 1
19 4959 1 1 5 . HF13 H -1.782 -6.620 4.576 1.00 . A A . 6 O6H HF13 1 1
19 4960 1 1 5 . HF21 H -4.664 -1.047 4.678 1.00 . A A . 6 O6H HF21 1 1
19 4961 1 1 5 . HF22 H -3.903 -1.360 3.172 1.00 . A A . 6 O6H HF22 1 1
19 4962 1 1 5 . HF23 H -3.207 -0.238 4.271 1.00 . A A . 6 O6H HF23 1 1
19 4963 1 1 5 . HH1 H -0.171 -1.610 7.661 1.00 . A A . 6 O6H HH1 1 1
19 4964 1 1 5 . HH2 H 0.826 -2.867 7.050 1.00 . A A . 6 O6H HH2 1 1
19 4965 1 1 5 . HH3 H -0.281 -3.194 8.322 1.00 . A A . 6 O6H HH3 1 1
19 4966 1 1 5 . N N -2.822 -3.390 1.501 1.00 . A A . 6 O6H N 1 1
19 4967 1 1 5 . O O -5.110 -6.065 1.173 1.00 . A A . 6 O6H O 1 1
19 4968 1 1 6 PHE C C -6.287 -4.231 -1.789 1.00 . A A . 7 PHE C 1 1
19 4969 1 1 6 PHE CA C -6.579 -4.252 -0.296 1.00 . A A . 7 PHE CA 1 1
19 4970 1 1 6 PHE CB C -7.694 -3.243 0.007 1.00 . A A . 7 PHE CB 1 1
19 4971 1 1 6 PHE CD1 C -7.350 -1.487 1.759 1.00 . A A . 7 PHE CD1 1 1
19 4972 1 1 6 PHE CD2 C -8.144 -3.627 2.451 1.00 . A A . 7 PHE CD2 1 1
19 4973 1 1 6 PHE CE1 C -7.376 -1.049 3.068 1.00 . A A . 7 PHE CE1 1 1
19 4974 1 1 6 PHE CE2 C -8.172 -3.195 3.762 1.00 . A A . 7 PHE CE2 1 1
19 4975 1 1 6 PHE CG C -7.733 -2.779 1.436 1.00 . A A . 7 PHE CG 1 1
19 4976 1 1 6 PHE CZ C -7.788 -1.906 4.072 1.00 . A A . 7 PHE CZ 1 1
19 4977 1 1 6 PHE H H -5.018 -3.039 0.469 1.00 . A A . 7 PHE H 1 1
19 4978 1 1 6 PHE HA H -6.913 -5.239 -0.019 1.00 . A A . 7 PHE HA 1 1
19 4979 1 1 6 PHE HB2 H -7.561 -2.372 -0.617 1.00 . A A . 7 PHE HB2 1 1
19 4980 1 1 6 PHE HB3 H -8.647 -3.697 -0.219 1.00 . A A . 7 PHE HB3 1 1
19 4981 1 1 6 PHE HD1 H -7.027 -0.817 0.975 1.00 . A A . 7 PHE HD1 1 1
19 4982 1 1 6 PHE HD2 H -8.445 -4.637 2.210 1.00 . A A . 7 PHE HD2 1 1
19 4983 1 1 6 PHE HE1 H -7.075 -0.040 3.307 1.00 . A A . 7 PHE HE1 1 1
19 4984 1 1 6 PHE HE2 H -8.494 -3.864 4.544 1.00 . A A . 7 PHE HE2 1 1
19 4985 1 1 6 PHE HZ H -7.811 -1.569 5.098 1.00 . A A . 7 PHE HZ 1 1
19 4986 1 1 6 PHE N N -5.381 -3.947 0.477 1.00 . A A . 7 PHE N 1 1
19 4987 1 1 6 PHE O O -7.046 -4.782 -2.587 1.00 . A A . 7 PHE O 1 1
19 4988 1 1 7 DTR C C -4.575 -1.935 -3.879 1.00 . A A . 8 DTR C 1 1
19 4989 1 1 7 DTR CA C -4.886 -3.402 -3.571 1.00 . A A . 8 DTR CA 1 1
19 4990 1 1 7 DTR CB C -3.711 -4.295 -3.989 1.00 . A A . 8 DTR CB 1 1
19 4991 1 1 7 DTR CD1 C -2.358 -3.561 -6.040 1.00 . A A . 8 DTR CD1 1 1
19 4992 1 1 7 DTR CD2 C -4.186 -4.761 -6.521 1.00 . A A . 8 DTR CD2 1 1
19 4993 1 1 7 DTR CE2 C -3.545 -4.419 -7.725 1.00 . A A . 8 DTR CE2 1 1
19 4994 1 1 7 DTR CE3 C -5.359 -5.517 -6.573 1.00 . A A . 8 DTR CE3 1 1
19 4995 1 1 7 DTR CG C -3.410 -4.204 -5.453 1.00 . A A . 8 DTR CG 1 1
19 4996 1 1 7 DTR CH2 C -5.187 -5.545 -8.990 1.00 . A A . 8 DTR CH2 1 1
19 4997 1 1 7 DTR CZ2 C -4.039 -4.806 -8.967 1.00 . A A . 8 DTR CZ2 1 1
19 4998 1 1 7 DTR CZ3 C -5.847 -5.900 -7.808 1.00 . A A . 8 DTR CZ3 1 1
19 4999 1 1 7 DTR H H -4.601 -3.204 -1.491 1.00 . A A . 8 DTR H 1 1
19 5000 1 1 7 DTR HA H -5.735 -3.737 -4.149 1.00 . A A . 8 DTR HA 1 1
19 5001 1 1 7 DTR HB2 H -2.826 -3.998 -3.443 1.00 . A A . 8 DTR HB2 1 1
19 5002 1 1 7 DTR HB3 H -3.947 -5.321 -3.757 1.00 . A A . 8 DTR HB3 1 1
19 5003 1 1 7 DTR HD1 H -1.587 -3.034 -5.496 1.00 . A A . 8 DTR HD1 1 1
19 5004 1 1 7 DTR HE1 H -1.792 -3.309 -8.052 1.00 . A A . 8 DTR HE1 1 1
19 5005 1 1 7 DTR HE3 H -5.883 -5.800 -5.672 1.00 . A A . 8 DTR HE3 1 1
19 5006 1 1 7 DTR HH2 H -5.606 -5.866 -9.933 1.00 . A A . 8 DTR HH2 1 1
19 5007 1 1 7 DTR HZ2 H -3.541 -4.540 -9.887 1.00 . A A . 8 DTR HZ2 1 1
19 5008 1 1 7 DTR HZ3 H -6.753 -6.484 -7.868 1.00 . A A . 8 DTR HZ3 1 1
19 5009 1 1 7 DTR N N -5.203 -3.578 -2.169 1.00 . A A . 8 DTR N 1 1
19 5010 1 1 7 DTR NE1 N -2.434 -3.685 -7.406 1.00 . A A . 8 DTR NE1 1 1
19 5011 1 1 7 DTR O O -3.765 -1.327 -3.189 1.00 . A A . 8 DTR O 1 1
19 5012 1 1 8 LYS C C -5.719 1.035 -4.577 1.00 . A A . 9 LYS C 1 1
19 5013 1 1 8 LYS CA C -4.901 -0.008 -5.328 1.00 . A A . 9 LYS CA 1 1
19 5014 1 1 8 LYS CB C -5.129 0.122 -6.836 1.00 . A A . 9 LYS CB 1 1
19 5015 1 1 8 LYS CD C -6.679 -0.192 -8.790 1.00 . A A . 9 LYS CD 1 1
19 5016 1 1 8 LYS CE C -5.820 -1.279 -9.424 1.00 . A A . 9 LYS CE 1 1
19 5017 1 1 8 LYS CG C -6.551 -0.201 -7.275 1.00 . A A . 9 LYS CG 1 1
19 5018 1 1 8 LYS H H -5.944 -1.840 -5.347 1.00 . A A . 9 LYS H 1 1
19 5019 1 1 8 LYS HA H -3.853 0.158 -5.120 1.00 . A A . 9 LYS HA 1 1
19 5020 1 1 8 LYS HB2 H -4.903 1.134 -7.136 1.00 . A A . 9 LYS HB2 1 1
19 5021 1 1 8 LYS HB3 H -4.456 -0.552 -7.347 1.00 . A A . 9 LYS HB3 1 1
19 5022 1 1 8 LYS HD2 H -7.711 -0.362 -9.056 1.00 . A A . 9 LYS HD2 1 1
19 5023 1 1 8 LYS HD3 H -6.362 0.769 -9.165 1.00 . A A . 9 LYS HD3 1 1
19 5024 1 1 8 LYS HE2 H -4.811 -1.180 -9.057 1.00 . A A . 9 LYS HE2 1 1
19 5025 1 1 8 LYS HE3 H -6.213 -2.243 -9.139 1.00 . A A . 9 LYS HE3 1 1
19 5026 1 1 8 LYS HG2 H -6.818 -1.180 -6.907 1.00 . A A . 9 LYS HG2 1 1
19 5027 1 1 8 LYS HG3 H -7.220 0.539 -6.861 1.00 . A A . 9 LYS HG3 1 1
19 5028 1 1 8 LYS HZ1 H -5.190 -1.925 -11.307 1.00 . A A . 9 LYS HZ1 1 1
19 5029 1 1 8 LYS HZ2 H -5.433 -0.252 -11.204 1.00 . A A . 9 LYS HZ2 1 1
19 5030 1 1 8 LYS HZ3 H -6.766 -1.297 -11.290 1.00 . A A . 9 LYS HZ3 1 1
19 5031 1 1 8 LYS N N -5.229 -1.358 -4.886 1.00 . A A . 9 LYS N 1 1
19 5032 1 1 8 LYS NZ N -5.802 -1.184 -10.906 1.00 . A A . 9 LYS NZ 1 1
19 5033 1 1 8 LYS O O -5.585 2.233 -4.814 1.00 . A A . 9 LYS O 1 1
19 5034 1 1 9 THR C C -6.628 2.109 -1.742 1.00 . A A . 10 THR C 1 1
19 5035 1 1 9 THR CA C -7.411 1.475 -2.898 1.00 . A A . 10 THR CA 1 1
19 5036 1 1 9 THR CB C -8.630 0.714 -2.341 1.00 . A A . 10 THR CB 1 1
19 5037 1 1 9 THR CG2 C -9.676 1.673 -1.791 1.00 . A A . 10 THR CG2 1 1
19 5038 1 1 9 THR H H -6.644 -0.391 -3.540 1.00 . A A . 10 THR H 1 1
19 5039 1 1 9 THR HA H -7.762 2.253 -3.556 1.00 . A A . 10 THR HA 1 1
19 5040 1 1 9 THR HB H -8.299 0.066 -1.543 1.00 . A A . 10 THR HB 1 1
19 5041 1 1 9 THR HG1 H -9.582 -0.894 -2.999 1.00 . A A . 10 THR HG1 1 1
19 5042 1 1 9 THR HG21 H -9.241 2.265 -1.000 1.00 . A A . 10 THR HG21 1 1
19 5043 1 1 9 THR HG22 H -10.510 1.107 -1.400 1.00 . A A . 10 THR HG22 1 1
19 5044 1 1 9 THR HG23 H -10.021 2.323 -2.582 1.00 . A A . 10 THR HG23 1 1
19 5045 1 1 9 THR N N -6.565 0.576 -3.671 1.00 . A A . 10 THR N 1 1
19 5046 1 1 9 THR O O -6.928 3.221 -1.314 1.00 . A A . 10 THR O 1 1
19 5047 1 1 9 THR OG1 O -9.213 -0.081 -3.382 1.00 . A A . 10 THR OG1 1 1
19 5048 1 1 10 PHE C C -3.280 1.739 -0.621 1.00 . A A . 11 PHE C 1 1
19 5049 1 1 10 PHE CA C -4.759 1.935 -0.201 1.00 . A A . 11 PHE CA 1 1
19 5050 1 1 10 PHE CB C -5.009 1.197 1.117 1.00 . A A . 11 PHE CB 1 1
19 5051 1 1 10 PHE CD1 C -2.955 1.599 2.519 1.00 . A A . 11 PHE CD1 1 1
19 5052 1 1 10 PHE CD2 C -5.011 2.592 3.205 1.00 . A A . 11 PHE CD2 1 1
19 5053 1 1 10 PHE CE1 C -2.317 2.153 3.612 1.00 . A A . 11 PHE CE1 1 1
19 5054 1 1 10 PHE CE2 C -4.378 3.150 4.299 1.00 . A A . 11 PHE CE2 1 1
19 5055 1 1 10 PHE CG C -4.309 1.811 2.302 1.00 . A A . 11 PHE CG 1 1
19 5056 1 1 10 PHE CZ C -3.030 2.929 4.503 1.00 . A A . 11 PHE CZ 1 1
19 5057 1 1 10 PHE H H -5.438 0.510 -1.596 1.00 . A A . 11 PHE H 1 1
19 5058 1 1 10 PHE HA H -5.011 2.974 -0.062 1.00 . A A . 11 PHE HA 1 1
19 5059 1 1 10 PHE HB2 H -6.069 1.195 1.323 1.00 . A A . 11 PHE HB2 1 1
19 5060 1 1 10 PHE HB3 H -4.665 0.178 1.019 1.00 . A A . 11 PHE HB3 1 1
19 5061 1 1 10 PHE HD1 H -2.394 0.994 1.819 1.00 . A A . 11 PHE HD1 1 1
19 5062 1 1 10 PHE HD2 H -6.064 2.765 3.047 1.00 . A A . 11 PHE HD2 1 1
19 5063 1 1 10 PHE HE1 H -1.263 1.979 3.770 1.00 . A A . 11 PHE HE1 1 1
19 5064 1 1 10 PHE HE2 H -4.938 3.756 4.996 1.00 . A A . 11 PHE HE2 1 1
19 5065 1 1 10 PHE HZ H -2.535 3.362 5.359 1.00 . A A . 11 PHE HZ 1 1
19 5066 1 1 10 PHE N N -5.620 1.402 -1.244 1.00 . A A . 11 PHE N 1 1
19 5067 1 1 10 PHE O O -2.833 0.592 -0.657 1.00 . A A . 11 PHE O 1 1
19 5068 1 1 11 THR C C -0.213 3.532 -0.575 1.00 . A A . 12 THR C 1 1
19 5069 1 1 11 THR CA C -1.130 2.599 -1.354 1.00 . A A . 12 THR CA 1 1
19 5070 1 1 11 THR CB C -0.950 2.840 -2.868 1.00 . A A . 12 THR CB 1 1
19 5071 1 1 11 THR CG2 C 0.486 2.577 -3.300 1.00 . A A . 12 THR CG2 1 1
19 5072 1 1 11 THR H H -2.862 3.710 -0.958 1.00 . A A . 12 THR H 1 1
19 5073 1 1 11 THR HA H -0.859 1.575 -1.137 1.00 . A A . 12 THR HA 1 1
19 5074 1 1 11 THR HB H -1.192 3.872 -3.084 1.00 . A A . 12 THR HB 1 1
19 5075 1 1 11 THR HG1 H -1.815 1.096 -3.232 1.00 . A A . 12 THR HG1 1 1
19 5076 1 1 11 THR HG21 H 1.151 3.233 -2.756 1.00 . A A . 12 THR HG21 1 1
19 5077 1 1 11 THR HG22 H 0.583 2.765 -4.358 1.00 . A A . 12 THR HG22 1 1
19 5078 1 1 11 THR HG23 H 0.743 1.550 -3.091 1.00 . A A . 12 THR HG23 1 1
19 5079 1 1 11 THR N N -2.512 2.794 -0.961 1.00 . A A . 12 THR N 1 1
19 5080 1 1 11 THR O O -0.418 4.746 -0.556 1.00 . A A . 12 THR O 1 1
19 5081 1 1 11 THR OG1 O -1.837 1.989 -3.609 1.00 . A A . 12 THR OG1 1 1
19 5082 1 1 12 SER C C 3.175 3.344 0.378 1.00 . A A . 13 SER C 1 1
19 5083 1 1 12 SER CA C 1.764 3.745 0.808 1.00 . A A . 13 SER CA 1 1
19 5084 1 1 12 SER CB C 1.597 3.554 2.316 1.00 . A A . 13 SER CB 1 1
19 5085 1 1 12 SER H H 0.845 1.983 0.100 1.00 . A A . 13 SER H 1 1
19 5086 1 1 12 SER HA H 1.598 4.784 0.568 1.00 . A A . 13 SER HA 1 1
19 5087 1 1 12 SER HB2 H 1.722 2.510 2.561 1.00 . A A . 13 SER HB2 1 1
19 5088 1 1 12 SER HB3 H 2.342 4.138 2.834 1.00 . A A . 13 SER HB3 1 1
19 5089 1 1 12 SER HG H -0.108 3.267 3.245 1.00 . A A . 13 SER HG 1 1
19 5090 1 1 12 SER N N 0.777 2.960 0.090 1.00 . A A . 13 SER N 1 1
19 5091 1 1 12 SER O O 3.619 2.229 0.664 1.00 . A A . 13 SER O 1 1
19 5092 1 1 12 SER OG O 0.309 3.973 2.742 1.00 . A A . 13 SER OG 1 1
19 5093 1 1 13 CYS C C 6.100 5.185 -0.425 1.00 . A A . 14 CYS C 1 1
19 5094 1 1 13 CYS CA C 5.228 3.988 -0.772 1.00 . A A . 14 CYS CA 1 1
19 5095 1 1 13 CYS CB C 5.278 3.736 -2.281 1.00 . A A . 14 CYS CB 1 1
19 5096 1 1 13 CYS H H 3.427 5.074 -0.608 1.00 . A A . 14 CYS H 1 1
19 5097 1 1 13 CYS HA H 5.597 3.117 -0.251 1.00 . A A . 14 CYS HA 1 1
19 5098 1 1 13 CYS HB2 H 4.907 4.611 -2.795 1.00 . A A . 14 CYS HB2 1 1
19 5099 1 1 13 CYS HB3 H 6.303 3.563 -2.574 1.00 . A A . 14 CYS HB3 1 1
19 5100 1 1 13 CYS N N 3.858 4.230 -0.345 1.00 . A A . 14 CYS N 1 1
19 5101 1 1 13 CYS O O 5.800 6.312 -0.826 1.00 . A A . 14 CYS O 1 1
19 5102 1 1 13 CYS SG S 4.291 2.308 -2.842 1.00 . A A . 14 CYS SG 1 1
19 5103 1 1 14 LYS C C 9.509 5.459 0.750 1.00 . A A . 15 LYS C 1 1
19 5104 1 1 14 LYS CA C 8.094 6.011 0.667 1.00 . A A . 15 LYS CA 1 1
19 5105 1 1 14 LYS CB C 7.696 6.670 1.990 1.00 . A A . 15 LYS CB 1 1
19 5106 1 1 14 LYS CD C 8.307 8.971 1.165 1.00 . A A . 15 LYS CD 1 1
19 5107 1 1 14 LYS CE C 6.862 9.414 1.002 1.00 . A A . 15 LYS CE 1 1
19 5108 1 1 14 LYS CG C 8.462 7.952 2.287 1.00 . A A . 15 LYS CG 1 1
19 5109 1 1 14 LYS H H 7.338 4.041 0.647 1.00 . A A . 15 LYS H 1 1
19 5110 1 1 14 LYS HA H 8.055 6.752 -0.120 1.00 . A A . 15 LYS HA 1 1
19 5111 1 1 14 LYS HB2 H 6.641 6.902 1.960 1.00 . A A . 15 LYS HB2 1 1
19 5112 1 1 14 LYS HB3 H 7.879 5.973 2.792 1.00 . A A . 15 LYS HB3 1 1
19 5113 1 1 14 LYS HD2 H 8.914 9.836 1.392 1.00 . A A . 15 LYS HD2 1 1
19 5114 1 1 14 LYS HD3 H 8.644 8.525 0.241 1.00 . A A . 15 LYS HD3 1 1
19 5115 1 1 14 LYS HE2 H 6.229 8.538 0.992 1.00 . A A . 15 LYS HE2 1 1
19 5116 1 1 14 LYS HE3 H 6.594 10.043 1.838 1.00 . A A . 15 LYS HE3 1 1
19 5117 1 1 14 LYS HG2 H 8.083 8.382 3.203 1.00 . A A . 15 LYS HG2 1 1
19 5118 1 1 14 LYS HG3 H 9.508 7.715 2.405 1.00 . A A . 15 LYS HG3 1 1
19 5119 1 1 14 LYS HZ1 H 6.884 9.572 -1.081 1.00 . A A . 15 LYS HZ1 1 1
19 5120 1 1 14 LYS HZ2 H 7.263 11.019 -0.280 1.00 . A A . 15 LYS HZ2 1 1
19 5121 1 1 14 LYS HZ3 H 5.660 10.477 -0.336 1.00 . A A . 15 LYS HZ3 1 1
19 5122 1 1 14 LYS N N 7.166 4.950 0.321 1.00 . A A . 15 LYS N 1 1
19 5123 1 1 14 LYS NZ N 6.654 10.173 -0.259 1.00 . A A . 15 LYS NZ 1 1
19 5124 1 1 14 LYS O O 10.197 5.440 -0.293 1.00 . A A . 15 LYS O 1 1
19 5125 1 1 14 LYS OXT O 9.923 5.039 1.846 1.00 . A A . 15 LYS OXT 1 1
19 5126 2 2 1 . C1 C 8.399 -2.718 1.341 1.00 . B A . 101 OCA C1 1 1
19 5127 2 2 1 . C2 C 7.684 -2.201 2.579 1.00 . B A . 101 OCA C2 1 1
19 5128 2 2 1 . C3 C 8.630 -1.916 3.736 1.00 . B A . 101 OCA C3 1 1
19 5129 2 2 1 . C4 C 8.063 -0.858 4.669 1.00 . B A . 101 OCA C4 1 1
19 5130 2 2 1 . C5 C 6.693 -1.254 5.207 1.00 . B A . 101 OCA C5 1 1
19 5131 2 2 1 . C6 C 5.644 -0.172 4.967 1.00 . B A . 101 OCA C6 1 1
19 5132 2 2 1 . C7 C 6.247 1.227 4.950 1.00 . B A . 101 OCA C7 1 1
19 5133 2 2 1 . C8 C 5.197 2.285 4.698 1.00 . B A . 101 OCA C8 1 1
19 5134 2 2 1 . H21 H 7.168 -1.286 2.322 1.00 . B A . 101 OCA H21 1 1
19 5135 2 2 1 . H22 H 6.963 -2.939 2.896 1.00 . B A . 101 OCA H22 1 1
19 5136 2 2 1 . H31 H 8.788 -2.827 4.294 1.00 . B A . 101 OCA H31 1 1
19 5137 2 2 1 . H32 H 9.572 -1.566 3.340 1.00 . B A . 101 OCA H32 1 1
19 5138 2 2 1 . H41 H 8.740 -0.727 5.500 1.00 . B A . 101 OCA H41 1 1
19 5139 2 2 1 . H42 H 7.972 0.071 4.127 1.00 . B A . 101 OCA H42 1 1
19 5140 2 2 1 . H51 H 6.375 -2.162 4.713 1.00 . B A . 101 OCA H51 1 1
19 5141 2 2 1 . H52 H 6.774 -1.433 6.268 1.00 . B A . 101 OCA H52 1 1
19 5142 2 2 1 . H61 H 5.165 -0.356 4.016 1.00 . B A . 101 OCA H61 1 1
19 5143 2 2 1 . H62 H 4.906 -0.223 5.756 1.00 . B A . 101 OCA H62 1 1
19 5144 2 2 1 . H71 H 6.710 1.424 5.906 1.00 . B A . 101 OCA H71 1 1
19 5145 2 2 1 . H72 H 6.987 1.285 4.166 1.00 . B A . 101 OCA H72 1 1
19 5146 2 2 1 . H81 H 5.415 3.158 5.294 1.00 . B A . 101 OCA H81 1 1
19 5147 2 2 1 . H82 H 4.224 1.898 4.966 1.00 . B A . 101 OCA H82 1 1
19 5148 2 2 1 . H83 H 5.202 2.553 3.651 1.00 . B A . 101 OCA H83 1 1
19 5149 2 2 1 . O1 O 8.627 -3.908 1.129 1.00 . B A . 101 OCA O1 1 1
20 5150 1 1 1 PRO C C 7.233 0.427 0.423 1.00 . A A . 2 PRO C 1 1
20 5151 1 1 1 PRO CA C 8.675 0.071 0.778 1.00 . A A . 2 PRO CA 1 1
20 5152 1 1 1 PRO CB C 9.652 0.882 -0.088 1.00 . A A . 2 PRO CB 1 1
20 5153 1 1 1 PRO CD C 9.716 -1.418 -0.806 1.00 . A A . 2 PRO CD 1 1
20 5154 1 1 1 PRO CG C 10.469 -0.119 -0.851 1.00 . A A . 2 PRO CG 1 1
20 5155 1 1 1 PRO HA H 8.849 0.293 1.820 1.00 . A A . 2 PRO HA 1 1
20 5156 1 1 1 PRO HB2 H 9.093 1.520 -0.756 1.00 . A A . 2 PRO HB2 1 1
20 5157 1 1 1 PRO HB3 H 10.277 1.489 0.552 1.00 . A A . 2 PRO HB3 1 1
20 5158 1 1 1 PRO HD2 H 9.024 -1.488 -1.631 1.00 . A A . 2 PRO HD2 1 1
20 5159 1 1 1 PRO HD3 H 10.400 -2.254 -0.808 1.00 . A A . 2 PRO HD3 1 1
20 5160 1 1 1 PRO HG2 H 10.584 0.208 -1.873 1.00 . A A . 2 PRO HG2 1 1
20 5161 1 1 1 PRO HG3 H 11.436 -0.232 -0.383 1.00 . A A . 2 PRO HG3 1 1
20 5162 1 1 1 PRO N N 9.008 -1.324 0.471 1.00 . A A . 2 PRO N 1 1
20 5163 1 1 1 PRO O O 6.733 1.475 0.817 1.00 . A A . 2 PRO O 1 1
20 5164 1 1 2 CYS C C 4.309 -1.331 -0.147 1.00 . A A . 3 CYS C 1 1
20 5165 1 1 2 CYS CA C 5.191 -0.231 -0.719 1.00 . A A . 3 CYS CA 1 1
20 5166 1 1 2 CYS CB C 5.074 -0.210 -2.246 1.00 . A A . 3 CYS CB 1 1
20 5167 1 1 2 CYS H H 7.030 -1.267 -0.610 1.00 . A A . 3 CYS H 1 1
20 5168 1 1 2 CYS HA H 4.873 0.723 -0.323 1.00 . A A . 3 CYS HA 1 1
20 5169 1 1 2 CYS HB2 H 5.330 -1.185 -2.633 1.00 . A A . 3 CYS HB2 1 1
20 5170 1 1 2 CYS HB3 H 4.055 0.023 -2.517 1.00 . A A . 3 CYS HB3 1 1
20 5171 1 1 2 CYS N N 6.575 -0.448 -0.321 1.00 . A A . 3 CYS N 1 1
20 5172 1 1 2 CYS O O 4.574 -2.515 -0.359 1.00 . A A . 3 CYS O 1 1
20 5173 1 1 2 CYS SG S 6.158 1.009 -3.062 1.00 . A A . 3 CYS SG 1 1
20 5174 1 1 3 LYS C C 0.921 -1.597 0.829 1.00 . A A . 4 LYS C 1 1
20 5175 1 1 3 LYS CA C 2.367 -1.921 1.175 1.00 . A A . 4 LYS CA 1 1
20 5176 1 1 3 LYS CB C 2.550 -1.971 2.698 1.00 . A A . 4 LYS CB 1 1
20 5177 1 1 3 LYS CD C 1.714 -4.363 2.745 1.00 . A A . 4 LYS CD 1 1
20 5178 1 1 3 LYS CE C 3.125 -4.933 2.711 1.00 . A A . 4 LYS CE 1 1
20 5179 1 1 3 LYS CG C 1.657 -2.989 3.402 1.00 . A A . 4 LYS CG 1 1
20 5180 1 1 3 LYS H H 3.104 0.011 0.717 1.00 . A A . 4 LYS H 1 1
20 5181 1 1 3 LYS HA H 2.610 -2.888 0.763 1.00 . A A . 4 LYS HA 1 1
20 5182 1 1 3 LYS HB2 H 3.579 -2.217 2.917 1.00 . A A . 4 LYS HB2 1 1
20 5183 1 1 3 LYS HB3 H 2.328 -0.993 3.105 1.00 . A A . 4 LYS HB3 1 1
20 5184 1 1 3 LYS HD2 H 1.081 -5.040 3.300 1.00 . A A . 4 LYS HD2 1 1
20 5185 1 1 3 LYS HD3 H 1.346 -4.279 1.731 1.00 . A A . 4 LYS HD3 1 1
20 5186 1 1 3 LYS HE2 H 3.765 -4.250 2.171 1.00 . A A . 4 LYS HE2 1 1
20 5187 1 1 3 LYS HE3 H 3.484 -5.037 3.725 1.00 . A A . 4 LYS HE3 1 1
20 5188 1 1 3 LYS HG2 H 1.977 -3.081 4.429 1.00 . A A . 4 LYS HG2 1 1
20 5189 1 1 3 LYS HG3 H 0.638 -2.631 3.376 1.00 . A A . 4 LYS HG3 1 1
20 5190 1 1 3 LYS HZ1 H 2.627 -6.959 2.605 1.00 . A A . 4 LYS HZ1 1 1
20 5191 1 1 3 LYS HZ2 H 4.150 -6.592 1.951 1.00 . A A . 4 LYS HZ2 1 1
20 5192 1 1 3 LYS HZ3 H 2.741 -6.199 1.096 1.00 . A A . 4 LYS HZ3 1 1
20 5193 1 1 3 LYS N N 3.272 -0.948 0.582 1.00 . A A . 4 LYS N 1 1
20 5194 1 1 3 LYS NZ N 3.163 -6.261 2.044 1.00 . A A . 4 LYS NZ 1 1
20 5195 1 1 3 LYS O O 0.416 -0.521 1.157 1.00 . A A . 4 LYS O 1 1
20 5196 1 1 4 ASN C C -1.901 -3.540 0.533 1.00 . A A . 5 ASN C 1 1
20 5197 1 1 4 ASN CA C -1.143 -2.399 -0.146 1.00 . A A . 5 ASN CA 1 1
20 5198 1 1 4 ASN CB C -1.371 -2.473 -1.662 1.00 . A A . 5 ASN CB 1 1
20 5199 1 1 4 ASN CG C -0.399 -1.615 -2.453 1.00 . A A . 5 ASN CG 1 1
20 5200 1 1 4 ASN H H 0.750 -3.336 -0.140 1.00 . A A . 5 ASN H 1 1
20 5201 1 1 4 ASN HA H -1.486 -1.445 0.226 1.00 . A A . 5 ASN HA 1 1
20 5202 1 1 4 ASN HB2 H -1.260 -3.496 -1.985 1.00 . A A . 5 ASN HB2 1 1
20 5203 1 1 4 ASN HB3 H -2.376 -2.139 -1.883 1.00 . A A . 5 ASN HB3 1 1
20 5204 1 1 4 ASN HD21 H -1.644 -0.069 -2.370 1.00 . A A . 5 ASN HD21 1 1
20 5205 1 1 4 ASN HD22 H -0.157 0.199 -3.215 1.00 . A A . 5 ASN HD22 1 1
20 5206 1 1 4 ASN N N 0.267 -2.532 0.158 1.00 . A A . 5 ASN N 1 1
20 5207 1 1 4 ASN ND2 N -0.770 -0.371 -2.705 1.00 . A A . 5 ASN ND2 1 1
20 5208 1 1 4 ASN O O -1.753 -4.695 0.139 1.00 . A A . 5 ASN O 1 1
20 5209 1 1 4 ASN OD1 O 0.678 -2.071 -2.836 1.00 . A A . 5 ASN OD1 1 1
20 5210 1 1 5 . C C -4.582 -4.819 1.433 1.00 . A A . 6 O6H C 1 1
20 5211 1 1 5 . CA C -3.436 -4.267 2.276 1.00 . A A . 6 O6H CA 1 1
20 5212 1 1 5 . CB C -3.971 -3.752 3.619 1.00 . A A . 6 O6H CB 1 1
20 5213 1 1 5 . CD1 C -2.695 -1.978 4.878 1.00 . A A . 6 O6H CD1 1 1
20 5214 1 1 5 . CD2 C -2.069 -4.251 5.213 1.00 . A A . 6 O6H CD2 1 1
20 5215 1 1 5 . CE1 C -1.714 -1.568 5.757 1.00 . A A . 6 O6H CE1 1 1
20 5216 1 1 5 . CE2 C -1.084 -3.853 6.098 1.00 . A A . 6 O6H CE2 1 1
20 5217 1 1 5 . CF1 C -3.566 -0.945 4.233 1.00 . A A . 6 O6H CF1 1 1
20 5218 1 1 5 . CF2 C -2.246 -5.717 4.938 1.00 . A A . 6 O6H CF2 1 1
20 5219 1 1 5 . CG C -2.895 -3.322 4.587 1.00 . A A . 6 O6H CG 1 1
20 5220 1 1 5 . CH C 0.155 -2.069 7.319 1.00 . A A . 6 O6H CH 1 1
20 5221 1 1 5 . CZ C -0.912 -2.509 6.362 1.00 . A A . 6 O6H CZ 1 1
20 5222 1 1 5 . H1 H -2.744 -2.308 1.878 1.00 . A A . 6 O6H H1 1 1
20 5223 1 1 5 . HA H -2.749 -5.076 2.474 1.00 . A A . 6 O6H HA 1 1
20 5224 1 1 5 . HB1 H -4.548 -4.534 4.089 1.00 . A A . 6 O6H HB1 1 1
20 5225 1 1 5 . HB2 H -4.610 -2.900 3.438 1.00 . A A . 6 O6H HB2 1 1
20 5226 1 1 5 . HE1 H -1.575 -0.518 5.967 1.00 . A A . 6 O6H HE1 1 1
20 5227 1 1 5 . HE2 H -0.452 -4.587 6.576 1.00 . A A . 6 O6H HE2 1 1
20 5228 1 1 5 . HF11 H -4.105 -1.317 3.375 1.00 . A A . 6 O6H HF11 1 1
20 5229 1 1 5 . HF12 H -3.018 -0.085 3.875 1.00 . A A . 6 O6H HF12 1 1
20 5230 1 1 5 . HF13 H -4.318 -0.548 4.895 1.00 . A A . 6 O6H HF13 1 1
20 5231 1 1 5 . HF21 H -3.278 -6.038 4.969 1.00 . A A . 6 O6H HF21 1 1
20 5232 1 1 5 . HF22 H -1.730 -6.351 5.642 1.00 . A A . 6 O6H HF22 1 1
20 5233 1 1 5 . HF23 H -1.884 -6.017 3.965 1.00 . A A . 6 O6H HF23 1 1
20 5234 1 1 5 . HH1 H -0.195 -1.359 8.054 1.00 . A A . 6 O6H HH1 1 1
20 5235 1 1 5 . HH2 H 0.993 -1.591 6.835 1.00 . A A . 6 O6H HH2 1 1
20 5236 1 1 5 . HH3 H 0.580 -2.883 7.889 1.00 . A A . 6 O6H HH3 1 1
20 5237 1 1 5 . N N -2.684 -3.234 1.569 1.00 . A A . 6 O6H N 1 1
20 5238 1 1 5 . O O -4.862 -6.017 1.458 1.00 . A A . 6 O6H O 1 1
20 5239 1 1 6 PHE C C -6.273 -4.324 -1.490 1.00 . A A . 7 PHE C 1 1
20 5240 1 1 6 PHE CA C -6.485 -4.307 0.015 1.00 . A A . 7 PHE CA 1 1
20 5241 1 1 6 PHE CB C -7.616 -3.335 0.360 1.00 . A A . 7 PHE CB 1 1
20 5242 1 1 6 PHE CD1 C -7.300 -1.509 2.043 1.00 . A A . 7 PHE CD1 1 1
20 5243 1 1 6 PHE CD2 C -7.799 -3.701 2.840 1.00 . A A . 7 PHE CD2 1 1
20 5244 1 1 6 PHE CE1 C -7.242 -1.045 3.341 1.00 . A A . 7 PHE CE1 1 1
20 5245 1 1 6 PHE CE2 C -7.747 -3.242 4.142 1.00 . A A . 7 PHE CE2 1 1
20 5246 1 1 6 PHE CG C -7.577 -2.839 1.777 1.00 . A A . 7 PHE CG 1 1
20 5247 1 1 6 PHE CZ C -7.466 -1.911 4.393 1.00 . A A . 7 PHE CZ 1 1
20 5248 1 1 6 PHE H H -4.934 -3.017 0.656 1.00 . A A . 7 PHE H 1 1
20 5249 1 1 6 PHE HA H -6.763 -5.298 0.341 1.00 . A A . 7 PHE HA 1 1
20 5250 1 1 6 PHE HB2 H -7.553 -2.477 -0.292 1.00 . A A . 7 PHE HB2 1 1
20 5251 1 1 6 PHE HB3 H -8.565 -3.828 0.206 1.00 . A A . 7 PHE HB3 1 1
20 5252 1 1 6 PHE HD1 H -7.125 -0.830 1.222 1.00 . A A . 7 PHE HD1 1 1
20 5253 1 1 6 PHE HD2 H -8.020 -4.739 2.643 1.00 . A A . 7 PHE HD2 1 1
20 5254 1 1 6 PHE HE1 H -7.028 -0.005 3.534 1.00 . A A . 7 PHE HE1 1 1
20 5255 1 1 6 PHE HE2 H -7.922 -3.923 4.962 1.00 . A A . 7 PHE HE2 1 1
20 5256 1 1 6 PHE HZ H -7.415 -1.551 5.409 1.00 . A A . 7 PHE HZ 1 1
20 5257 1 1 6 PHE N N -5.260 -3.936 0.713 1.00 . A A . 7 PHE N 1 1
20 5258 1 1 6 PHE O O -7.057 -4.916 -2.229 1.00 . A A . 7 PHE O 1 1
20 5259 1 1 7 DTR C C -4.826 -2.061 -3.795 1.00 . A A . 8 DTR C 1 1
20 5260 1 1 7 DTR CA C -4.988 -3.523 -3.370 1.00 . A A . 8 DTR CA 1 1
20 5261 1 1 7 DTR CB C -3.750 -4.326 -3.790 1.00 . A A . 8 DTR CB 1 1
20 5262 1 1 7 DTR CD1 C -2.395 -3.408 -5.765 1.00 . A A . 8 DTR CD1 1 1
20 5263 1 1 7 DTR CD2 C -4.134 -4.689 -6.355 1.00 . A A . 8 DTR CD2 1 1
20 5264 1 1 7 DTR CE2 C -3.488 -4.242 -7.522 1.00 . A A . 8 DTR CE2 1 1
20 5265 1 1 7 DTR CE3 C -5.253 -5.512 -6.479 1.00 . A A . 8 DTR CE3 1 1
20 5266 1 1 7 DTR CG C -3.419 -4.144 -5.241 1.00 . A A . 8 DTR CG 1 1
20 5267 1 1 7 DTR CH2 C -5.029 -5.396 -8.886 1.00 . A A . 8 DTR CH2 1 1
20 5268 1 1 7 DTR CZ2 C -3.930 -4.590 -8.795 1.00 . A A . 8 DTR CZ2 1 1
20 5269 1 1 7 DTR CZ3 C -5.689 -5.858 -7.741 1.00 . A A . 8 DTR CZ3 1 1
20 5270 1 1 7 DTR H H -4.619 -3.220 -1.317 1.00 . A A . 8 DTR H 1 1
20 5271 1 1 7 DTR HA H -5.822 -3.978 -3.889 1.00 . A A . 8 DTR HA 1 1
20 5272 1 1 7 DTR HB2 H -2.901 -4.002 -3.207 1.00 . A A . 8 DTR HB2 1 1
20 5273 1 1 7 DTR HB3 H -3.929 -5.375 -3.614 1.00 . A A . 8 DTR HB3 1 1
20 5274 1 1 7 DTR HD1 H -1.671 -2.866 -5.175 1.00 . A A . 8 DTR HD1 1 1
20 5275 1 1 7 DTR HE1 H -1.798 -3.007 -7.747 1.00 . A A . 8 DTR HE1 1 1
20 5276 1 1 7 DTR HE3 H -5.776 -5.876 -5.606 1.00 . A A . 8 DTR HE3 1 1
20 5277 1 1 7 DTR HH2 H -5.405 -5.691 -9.855 1.00 . A A . 8 DTR HH2 1 1
20 5278 1 1 7 DTR HZ2 H -3.434 -4.238 -9.687 1.00 . A A . 8 DTR HZ2 1 1
20 5279 1 1 7 DTR HZ3 H -6.553 -6.492 -7.855 1.00 . A A . 8 DTR HZ3 1 1
20 5280 1 1 7 DTR N N -5.236 -3.641 -1.948 1.00 . A A . 8 DTR N 1 1
20 5281 1 1 7 DTR NE1 N -2.432 -3.460 -7.137 1.00 . A A . 8 DTR NE1 1 1
20 5282 1 1 7 DTR O O -3.993 -1.345 -3.240 1.00 . A A . 8 DTR O 1 1
20 5283 1 1 8 LYS C C -6.130 0.812 -4.636 1.00 . A A . 9 LYS C 1 1
20 5284 1 1 8 LYS CA C -5.407 -0.307 -5.381 1.00 . A A . 9 LYS CA 1 1
20 5285 1 1 8 LYS CB C -5.878 -0.353 -6.837 1.00 . A A . 9 LYS CB 1 1
20 5286 1 1 8 LYS CD C -7.793 -0.771 -8.428 1.00 . A A . 9 LYS CD 1 1
20 5287 1 1 8 LYS CE C -7.279 -2.071 -9.022 1.00 . A A . 9 LYS CE 1 1
20 5288 1 1 8 LYS CG C -7.370 -0.616 -6.977 1.00 . A A . 9 LYS CG 1 1
20 5289 1 1 8 LYS H H -6.401 -2.135 -5.042 1.00 . A A . 9 LYS H 1 1
20 5290 1 1 8 LYS HA H -4.347 -0.111 -5.363 1.00 . A A . 9 LYS HA 1 1
20 5291 1 1 8 LYS HB2 H -5.652 0.593 -7.308 1.00 . A A . 9 LYS HB2 1 1
20 5292 1 1 8 LYS HB3 H -5.345 -1.139 -7.353 1.00 . A A . 9 LYS HB3 1 1
20 5293 1 1 8 LYS HD2 H -8.872 -0.766 -8.480 1.00 . A A . 9 LYS HD2 1 1
20 5294 1 1 8 LYS HD3 H -7.399 0.056 -8.998 1.00 . A A . 9 LYS HD3 1 1
20 5295 1 1 8 LYS HE2 H -6.204 -2.021 -9.093 1.00 . A A . 9 LYS HE2 1 1
20 5296 1 1 8 LYS HE3 H -7.561 -2.886 -8.372 1.00 . A A . 9 LYS HE3 1 1
20 5297 1 1 8 LYS HG2 H -7.615 -1.523 -6.447 1.00 . A A . 9 LYS HG2 1 1
20 5298 1 1 8 LYS HG3 H -7.907 0.210 -6.544 1.00 . A A . 9 LYS HG3 1 1
20 5299 1 1 8 LYS HZ1 H -8.883 -2.290 -10.345 1.00 . A A . 9 LYS HZ1 1 1
20 5300 1 1 8 LYS HZ2 H -7.543 -3.250 -10.726 1.00 . A A . 9 LYS HZ2 1 1
20 5301 1 1 8 LYS HZ3 H -7.510 -1.583 -11.043 1.00 . A A . 9 LYS HZ3 1 1
20 5302 1 1 8 LYS N N -5.636 -1.601 -4.751 1.00 . A A . 9 LYS N 1 1
20 5303 1 1 8 LYS NZ N -7.842 -2.315 -10.376 1.00 . A A . 9 LYS NZ 1 1
20 5304 1 1 8 LYS O O -6.020 1.983 -4.999 1.00 . A A . 9 LYS O 1 1
20 5305 1 1 9 THR C C -6.674 2.138 -1.801 1.00 . A A . 10 THR C 1 1
20 5306 1 1 9 THR CA C -7.597 1.420 -2.795 1.00 . A A . 10 THR CA 1 1
20 5307 1 1 9 THR CB C -8.736 0.724 -2.027 1.00 . A A . 10 THR CB 1 1
20 5308 1 1 9 THR CG2 C -9.761 1.734 -1.530 1.00 . A A . 10 THR CG2 1 1
20 5309 1 1 9 THR H H -6.937 -0.505 -3.373 1.00 . A A . 10 THR H 1 1
20 5310 1 1 9 THR HA H -8.031 2.146 -3.465 1.00 . A A . 10 THR HA 1 1
20 5311 1 1 9 THR HB H -8.316 0.204 -1.179 1.00 . A A . 10 THR HB 1 1
20 5312 1 1 9 THR HG1 H -9.622 0.217 -3.721 1.00 . A A . 10 THR HG1 1 1
20 5313 1 1 9 THR HG21 H -10.188 2.257 -2.372 1.00 . A A . 10 THR HG21 1 1
20 5314 1 1 9 THR HG22 H -9.280 2.441 -0.870 1.00 . A A . 10 THR HG22 1 1
20 5315 1 1 9 THR HG23 H -10.544 1.217 -0.995 1.00 . A A . 10 THR HG23 1 1
20 5316 1 1 9 THR N N -6.860 0.447 -3.591 1.00 . A A . 10 THR N 1 1
20 5317 1 1 9 THR O O -6.928 3.278 -1.415 1.00 . A A . 10 THR O 1 1
20 5318 1 1 9 THR OG1 O -9.377 -0.223 -2.890 1.00 . A A . 10 THR OG1 1 1
20 5319 1 1 10 PHE C C -3.212 1.876 -1.047 1.00 . A A . 11 PHE C 1 1
20 5320 1 1 10 PHE CA C -4.641 2.041 -0.472 1.00 . A A . 11 PHE CA 1 1
20 5321 1 1 10 PHE CB C -4.731 1.307 0.871 1.00 . A A . 11 PHE CB 1 1
20 5322 1 1 10 PHE CD1 C -4.309 2.830 2.820 1.00 . A A . 11 PHE CD1 1 1
20 5323 1 1 10 PHE CD2 C -2.525 1.435 2.070 1.00 . A A . 11 PHE CD2 1 1
20 5324 1 1 10 PHE CE1 C -3.491 3.345 3.808 1.00 . A A . 11 PHE CE1 1 1
20 5325 1 1 10 PHE CE2 C -1.705 1.947 3.054 1.00 . A A . 11 PHE CE2 1 1
20 5326 1 1 10 PHE CG C -3.836 1.870 1.940 1.00 . A A . 11 PHE CG 1 1
20 5327 1 1 10 PHE CZ C -2.189 2.903 3.926 1.00 . A A . 11 PHE CZ 1 1
20 5328 1 1 10 PHE H H -5.433 0.576 -1.757 1.00 . A A . 11 PHE H 1 1
20 5329 1 1 10 PHE HA H -4.905 3.076 -0.319 1.00 . A A . 11 PHE HA 1 1
20 5330 1 1 10 PHE HB2 H -5.748 1.360 1.233 1.00 . A A . 11 PHE HB2 1 1
20 5331 1 1 10 PHE HB3 H -4.462 0.270 0.725 1.00 . A A . 11 PHE HB3 1 1
20 5332 1 1 10 PHE HD1 H -5.327 3.177 2.729 1.00 . A A . 11 PHE HD1 1 1
20 5333 1 1 10 PHE HD2 H -2.146 0.689 1.389 1.00 . A A . 11 PHE HD2 1 1
20 5334 1 1 10 PHE HE1 H -3.872 4.094 4.487 1.00 . A A . 11 PHE HE1 1 1
20 5335 1 1 10 PHE HE2 H -0.687 1.600 3.145 1.00 . A A . 11 PHE HE2 1 1
20 5336 1 1 10 PHE HZ H -1.548 3.305 4.696 1.00 . A A . 11 PHE HZ 1 1
20 5337 1 1 10 PHE N N -5.599 1.470 -1.404 1.00 . A A . 11 PHE N 1 1
20 5338 1 1 10 PHE O O -2.762 0.738 -1.172 1.00 . A A . 11 PHE O 1 1
20 5339 1 1 11 THR C C -0.180 3.732 -1.208 1.00 . A A . 12 THR C 1 1
20 5340 1 1 11 THR CA C -1.137 2.772 -1.919 1.00 . A A . 12 THR CA 1 1
20 5341 1 1 11 THR CB C -1.047 2.939 -3.456 1.00 . A A . 12 THR CB 1 1
20 5342 1 1 11 THR CG2 C -1.523 4.316 -3.906 1.00 . A A . 12 THR CG2 1 1
20 5343 1 1 11 THR H H -2.860 3.861 -1.409 1.00 . A A . 12 THR H 1 1
20 5344 1 1 11 THR HA H -0.839 1.760 -1.678 1.00 . A A . 12 THR HA 1 1
20 5345 1 1 11 THR HB H -1.685 2.195 -3.912 1.00 . A A . 12 THR HB 1 1
20 5346 1 1 11 THR HG1 H 0.592 3.476 -4.432 1.00 . A A . 12 THR HG1 1 1
20 5347 1 1 11 THR HG21 H -2.553 4.455 -3.614 1.00 . A A . 12 THR HG21 1 1
20 5348 1 1 11 THR HG22 H -1.441 4.393 -4.981 1.00 . A A . 12 THR HG22 1 1
20 5349 1 1 11 THR HG23 H -0.912 5.078 -3.444 1.00 . A A . 12 THR HG23 1 1
20 5350 1 1 11 THR N N -2.493 2.948 -1.436 1.00 . A A . 12 THR N 1 1
20 5351 1 1 11 THR O O -0.295 4.955 -1.315 1.00 . A A . 12 THR O 1 1
20 5352 1 1 11 THR OG1 O 0.298 2.720 -3.900 1.00 . A A . 12 THR OG1 1 1
20 5353 1 1 12 SER C C 3.132 3.421 0.033 1.00 . A A . 13 SER C 1 1
20 5354 1 1 12 SER CA C 1.721 3.969 0.268 1.00 . A A . 13 SER CA 1 1
20 5355 1 1 12 SER CB C 1.401 3.995 1.763 1.00 . A A . 13 SER CB 1 1
20 5356 1 1 12 SER H H 0.753 2.196 -0.341 1.00 . A A . 13 SER H 1 1
20 5357 1 1 12 SER HA H 1.659 4.975 -0.116 1.00 . A A . 13 SER HA 1 1
20 5358 1 1 12 SER HB2 H 1.437 2.989 2.155 1.00 . A A . 13 SER HB2 1 1
20 5359 1 1 12 SER HB3 H 2.126 4.610 2.275 1.00 . A A . 13 SER HB3 1 1
20 5360 1 1 12 SER HG H -0.322 4.682 1.136 1.00 . A A . 13 SER HG 1 1
20 5361 1 1 12 SER N N 0.735 3.172 -0.436 1.00 . A A . 13 SER N 1 1
20 5362 1 1 12 SER O O 3.430 2.285 0.412 1.00 . A A . 13 SER O 1 1
20 5363 1 1 12 SER OG O 0.105 4.527 1.985 1.00 . A A . 13 SER OG 1 1
20 5364 1 1 13 CYS C C 6.256 4.778 0.024 1.00 . A A . 14 CYS C 1 1
20 5365 1 1 13 CYS CA C 5.375 3.848 -0.795 1.00 . A A . 14 CYS CA 1 1
20 5366 1 1 13 CYS CB C 5.765 3.909 -2.273 1.00 . A A . 14 CYS CB 1 1
20 5367 1 1 13 CYS H H 3.664 5.061 -0.998 1.00 . A A . 14 CYS H 1 1
20 5368 1 1 13 CYS HA H 5.504 2.837 -0.436 1.00 . A A . 14 CYS HA 1 1
20 5369 1 1 13 CYS HB2 H 5.488 4.874 -2.670 1.00 . A A . 14 CYS HB2 1 1
20 5370 1 1 13 CYS HB3 H 6.834 3.782 -2.362 1.00 . A A . 14 CYS HB3 1 1
20 5371 1 1 13 CYS N N 3.980 4.210 -0.618 1.00 . A A . 14 CYS N 1 1
20 5372 1 1 13 CYS O O 6.184 5.997 -0.124 1.00 . A A . 14 CYS O 1 1
20 5373 1 1 13 CYS SG S 4.966 2.636 -3.306 1.00 . A A . 14 CYS SG 1 1
20 5374 1 1 14 LYS C C 8.924 5.793 0.927 1.00 . A A . 15 LYS C 1 1
20 5375 1 1 14 LYS CA C 7.955 4.958 1.758 1.00 . A A . 15 LYS CA 1 1
20 5376 1 1 14 LYS CB C 8.744 4.038 2.687 1.00 . A A . 15 LYS CB 1 1
20 5377 1 1 14 LYS CD C 10.565 3.904 4.426 1.00 . A A . 15 LYS CD 1 1
20 5378 1 1 14 LYS CE C 11.427 4.719 5.374 1.00 . A A . 15 LYS CE 1 1
20 5379 1 1 14 LYS CG C 9.609 4.805 3.669 1.00 . A A . 15 LYS CG 1 1
20 5380 1 1 14 LYS H H 7.067 3.213 0.962 1.00 . A A . 15 LYS H 1 1
20 5381 1 1 14 LYS HA H 7.346 5.622 2.353 1.00 . A A . 15 LYS HA 1 1
20 5382 1 1 14 LYS HB2 H 8.053 3.425 3.246 1.00 . A A . 15 LYS HB2 1 1
20 5383 1 1 14 LYS HB3 H 9.384 3.402 2.094 1.00 . A A . 15 LYS HB3 1 1
20 5384 1 1 14 LYS HD2 H 9.996 3.186 4.996 1.00 . A A . 15 LYS HD2 1 1
20 5385 1 1 14 LYS HD3 H 11.201 3.391 3.721 1.00 . A A . 15 LYS HD3 1 1
20 5386 1 1 14 LYS HE2 H 10.790 5.184 6.110 1.00 . A A . 15 LYS HE2 1 1
20 5387 1 1 14 LYS HE3 H 12.123 4.054 5.866 1.00 . A A . 15 LYS HE3 1 1
20 5388 1 1 14 LYS HG2 H 10.184 5.539 3.125 1.00 . A A . 15 LYS HG2 1 1
20 5389 1 1 14 LYS HG3 H 8.966 5.307 4.378 1.00 . A A . 15 LYS HG3 1 1
20 5390 1 1 14 LYS HZ1 H 12.971 5.352 4.114 1.00 . A A . 15 LYS HZ1 1 1
20 5391 1 1 14 LYS HZ2 H 12.585 6.461 5.341 1.00 . A A . 15 LYS HZ2 1 1
20 5392 1 1 14 LYS HZ3 H 11.563 6.291 3.999 1.00 . A A . 15 LYS HZ3 1 1
20 5393 1 1 14 LYS N N 7.067 4.193 0.897 1.00 . A A . 15 LYS N 1 1
20 5394 1 1 14 LYS NZ N 12.190 5.776 4.658 1.00 . A A . 15 LYS NZ 1 1
20 5395 1 1 14 LYS O O 9.680 5.206 0.127 1.00 . A A . 15 LYS O 1 1
20 5396 1 1 14 LYS OXT O 8.935 7.033 1.093 1.00 . A A . 15 LYS OXT 1 1
20 5397 2 2 1 . C1 C 8.720 -2.372 1.278 1.00 . B A . 101 OCA C1 1 1
20 5398 2 2 1 . C2 C 8.014 -1.906 2.546 1.00 . B A . 101 OCA C2 1 1
20 5399 2 2 1 . C3 C 8.979 -1.542 3.665 1.00 . B A . 101 OCA C3 1 1
20 5400 2 2 1 . C4 C 8.232 -1.152 4.932 1.00 . B A . 101 OCA C4 1 1
20 5401 2 2 1 . C5 C 8.351 0.336 5.218 1.00 . B A . 101 OCA C5 1 1
20 5402 2 2 1 . C6 C 9.387 0.616 6.298 1.00 . B A . 101 OCA C6 1 1
20 5403 2 2 1 . C7 C 8.936 1.724 7.242 1.00 . B A . 101 OCA C7 1 1
20 5404 2 2 1 . C8 C 7.707 1.326 8.034 1.00 . B A . 101 OCA C8 1 1
20 5405 2 2 1 . H21 H 7.418 -1.036 2.310 1.00 . B A . 101 OCA H21 1 1
20 5406 2 2 1 . H22 H 7.368 -2.699 2.890 1.00 . B A . 101 OCA H22 1 1
20 5407 2 2 1 . H31 H 9.591 -0.711 3.347 1.00 . B A . 101 OCA H31 1 1
20 5408 2 2 1 . H32 H 9.607 -2.395 3.878 1.00 . B A . 101 OCA H32 1 1
20 5409 2 2 1 . H41 H 7.188 -1.404 4.815 1.00 . B A . 101 OCA H41 1 1
20 5410 2 2 1 . H42 H 8.646 -1.702 5.765 1.00 . B A . 101 OCA H42 1 1
20 5411 2 2 1 . H51 H 8.642 0.845 4.311 1.00 . B A . 101 OCA H51 1 1
20 5412 2 2 1 . H52 H 7.393 0.706 5.550 1.00 . B A . 101 OCA H52 1 1
20 5413 2 2 1 . H61 H 9.548 -0.285 6.870 1.00 . B A . 101 OCA H61 1 1
20 5414 2 2 1 . H62 H 10.312 0.916 5.827 1.00 . B A . 101 OCA H62 1 1
20 5415 2 2 1 . H71 H 9.734 1.942 7.936 1.00 . B A . 101 OCA H71 1 1
20 5416 2 2 1 . H72 H 8.700 2.606 6.666 1.00 . B A . 101 OCA H72 1 1
20 5417 2 2 1 . H81 H 7.338 2.181 8.582 1.00 . B A . 101 OCA H81 1 1
20 5418 2 2 1 . H82 H 7.965 0.539 8.726 1.00 . B A . 101 OCA H82 1 1
20 5419 2 2 1 . H83 H 6.942 0.975 7.358 1.00 . B A . 101 OCA H83 1 1
20 5420 2 2 1 . O1 O 9.041 -3.540 1.061 1.00 . B A . 101 OCA O1 1 1
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