Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
649528 | 6u24 RC | 30654 | cing | 4-filtered-FRED | STAR | entry | full | 118 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6u24
# This FRED archive file contains, for PDB entry <6u24>:
#
# - 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_6u24
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6u24
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1531.74
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 $GLY_ARG_ALA_THR_LYS_SER_ILE_PRO_PRO_ILE_ALA_PHE_PRO_ASP A . 1 1
2 . 2 $1_methyl_1H_1_2_3_triazole 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_GLY_ARG_ALA_THR_LYS_SER_ILE_PRO_PRO_ILE_ALA_PHE_PRO_ASP
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "GLY ARG ALA THR LYS SER ILE PRO PRO ILE ALA PHE PRO ASP"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code GRATKSIPPIAFPD
_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 GLY . 1 1
2 ARG . 1 1
3 ALA . 1 1
4 THR . 1 1
5 LYS . 1 1
6 SER . 1 1
7 ILE . 1 1
8 PRO . 1 1
9 PRO . 1 1
10 ILE . 1 1
11 ALA . 1 1
12 PHE . 1 1
13 PRO . 1 1
14 ASP . 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
GLY 1 1 1 1
ARG 2 2 1 1
ALA 3 3 1 1
THR 4 4 1 1
LYS 5 5 1 1
SER 6 6 1 1
ILE 7 7 1 1
PRO 8 8 1 1
PRO 9 9 1 1
ILE 10 10 1 1
ALA 11 11 1 1
PHE 12 12 1 1
PRO 13 13 1 1
ASP 14 14 1 1
stop_
save_
save_1_methyl_1H_1_2_3_triazole
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "1 methyl 1H 1 2 3 triazole"
_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_.
_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
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 12 PHE H . 12 . HN 1 1
1 1 2 1 1 12 PHE HB2 . 12 . HB2 1 1
2 1 1 1 1 9 PRO HA . 9 . HA 1 1
2 1 2 1 1 10 ILE H . 10 . HN 1 1
3 1 1 1 1 11 ALA HA . 11 . HA 1 1
3 1 2 1 1 12 PHE H . 12 . HN 1 1
4 1 1 1 1 12 PHE HA . 12 . HA 1 1
4 1 2 1 1 13 PRO HD2 . 13 . HD2 1 1
5 1 1 1 1 12 PHE HA . 12 . HA 1 1
5 1 2 1 1 13 PRO HD3 . 13 . HD1 1 1
6 1 1 1 1 12 PHE HB3 . 12 . HB1 1 1
6 1 2 1 1 13 PRO HD2 . 13 . HD2 1 1
7 1 1 1 1 13 PRO HD2 . 13 . HD2 1 1
7 1 2 1 1 14 ASP H . 14 . HN 1 1
8 1 1 1 1 2 ARG H . 2 . HN 1 1
8 1 2 1 1 2 ARG HB2 . 2 . HB2 1 1
9 1 1 1 1 2 ARG H . 2 . HN 1 1
9 1 2 1 1 2 ARG HB3 . 2 . HB1 1 1
10 1 1 1 1 2 ARG HA . 2 . HA 1 1
10 1 2 1 1 3 ALA H . 3 . HN 1 1
11 1 1 1 1 4 THR H . 4 . HN 1 1
11 1 2 1 1 4 THR MG . 4 . HG2# 1 1
12 1 1 1 1 7 ILE H . 7 . HN 1 1
12 1 2 1 1 7 ILE HB . 7 . HB 1 1
13 1 1 1 1 7 ILE H . 7 . HN 1 1
13 1 2 1 1 7 ILE HG12 . 7 . HG12 1 1
14 1 1 1 1 7 ILE HA . 7 . HA 1 1
14 1 2 1 1 8 PRO HA . 8 . HA 1 1
15 1 1 1 1 8 PRO HA . 8 . HA 1 1
15 1 2 1 1 9 PRO HD2 . 9 . HD2 1 1
16 1 1 1 1 8 PRO HA . 8 . HA 1 1
16 1 2 1 1 9 PRO HD3 . 9 . HD1 1 1
17 1 1 1 1 10 ILE MG . 10 . HG2# 1 1
17 1 2 1 1 11 ALA H . 11 . HN 1 1
18 1 1 1 1 3 ALA HA . 3 . HA 1 1
18 1 2 1 1 4 THR H . 4 . HN 1 1
19 1 1 1 1 3 ALA HA . 3 . HA 1 1
19 1 2 1 1 12 PHE H . 12 . HN 1 1
20 1 1 1 1 4 THR H . 4 . HN 1 1
20 1 2 1 1 11 ALA HA . 11 . HA 1 1
21 1 1 1 1 4 THR H . 4 . HN 1 1
21 1 2 1 1 4 THR HB . 4 . HB 1 1
22 1 1 1 1 4 THR HB . 4 . HB 1 1
22 1 2 1 1 5 LYS H . 5 . HN 1 1
23 1 1 1 1 4 THR HA . 4 . HA 1 1
23 1 2 1 1 5 LYS H . 5 . HN 1 1
24 1 1 1 1 10 ILE HA . 10 . HA 1 1
24 1 2 1 1 11 ALA H . 11 . HN 1 1
25 1 1 1 1 6 SER HA . 6 . HA 1 1
25 1 2 1 1 7 ILE H . 7 . HN 1 1
26 1 1 1 1 4 THR HB . 4 . HB 1 1
26 1 2 1 1 6 SER H . 6 . HN 1 1
27 1 1 1 1 12 PHE HB3 . 12 . HB1 1 1
27 1 2 1 1 14 ASP H . 14 . HN 1 1
28 1 1 1 1 2 ARG H . 2 . HN 1 1
28 1 2 1 1 12 PHE HB2 . 12 . HB2 1 1
29 1 1 1 1 2 ARG HG2 . 2 . HG2 1 1
29 1 2 1 1 3 ALA H . 3 . HN 1 1
30 1 1 1 1 2 ARG HG3 . 2 . HG1 1 1
30 1 2 1 1 3 ALA H . 3 . HN 1 1
31 1 1 1 1 7 ILE H . 7 . HN 1 1
31 1 2 1 1 7 ILE MG . 7 . HG2# 1 1
32 1 1 1 1 7 ILE H . 7 . HN 1 1
32 1 2 1 1 7 ILE MD . 7 . HD1# 1 1
33 1 1 1 1 4 THR MG . 4 . HG2# 1 1
33 1 2 1 1 6 SER H . 6 . HN 1 1
34 1 1 1 1 2 ARG HB2 . 2 . HB2 1 1
34 1 2 1 1 12 PHE QD . 12 . HD# 1 1
35 1 1 1 1 2 ARG HB3 . 2 . HB1 1 1
35 1 2 1 1 12 PHE QD . 12 . HD# 1 1
36 1 1 1 1 3 ALA HA . 3 . HA 1 1
36 1 2 1 1 11 ALA HA . 11 . HA 1 1
37 1 1 1 1 10 ILE HB . 10 . HB 1 1
37 1 2 1 1 11 ALA H . 11 . HN 1 1
38 1 1 1 1 4 THR MG . 4 . HG2# 1 1
38 1 2 1 1 5 LYS H . 5 . HN 1 1
39 1 1 1 1 12 PHE HA . 12 . HA 1 1
39 1 2 1 1 12 PHE QD . 12 . HD# 1 1
40 1 1 1 1 12 PHE QD . 12 . HD# 1 1
40 1 2 1 1 13 PRO HD2 . 13 . HD2 1 1
41 1 1 1 1 6 SER H . 6 . HN 1 1
41 1 2 1 1 9 PRO HA . 9 . HA 1 1
42 1 1 1 1 11 ALA HA . 11 . HA 1 1
42 1 2 1 1 12 PHE QD . 12 . HD# 1 1
43 1 1 1 1 3 ALA HA . 3 . HA 1 1
43 1 2 1 1 12 PHE QD . 12 . HD# 1 1
44 1 1 1 1 2 ARG H . 2 . HN 1 1
44 1 2 1 1 12 PHE H . 12 . HN 1 1
45 1 1 1 1 5 LYS H . 5 . HN 1 1
45 1 2 1 1 6 SER H . 6 . HN 1 1
46 1 1 1 1 12 PHE H . 12 . HN 1 1
46 1 2 1 1 12 PHE QD . 12 . HD# 1 1
47 1 1 1 1 4 THR H . 4 . HN 1 1
47 1 2 1 1 10 ILE H . 10 . HN 1 1
48 1 1 1 1 4 THR H . 4 . HN 1 1
48 1 2 1 1 6 SER H . 6 . HN 1 1
49 1 1 1 1 7 ILE H . 7 . HN 1 1
49 1 2 1 1 7 ILE HG13 . 7 . HG11 1 1
50 1 1 1 1 4 THR H . 4 . HN 1 1
50 1 2 1 1 9 PRO HA . 9 . HA 1 1
51 1 1 1 1 4 THR H . 4 . HN 1 1
51 1 2 1 1 10 ILE HA . 10 . HA 1 1
52 1 1 1 1 12 PHE HB2 . 12 . HB2 1 1
52 1 2 1 1 13 PRO HD2 . 13 . HD2 1 1
53 1 1 1 1 2 ARG HB2 . 2 . HB2 1 1
53 1 2 1 1 12 PHE HB2 . 12 . HB2 1 1
54 1 1 1 1 2 ARG HB3 . 2 . HB1 1 1
54 1 2 1 1 12 PHE HB2 . 12 . HB2 1 1
55 1 1 1 1 8 PRO HA . 8 . HA 1 1
55 1 2 1 1 9 PRO HG2 . 9 . HG2 1 1
56 1 1 1 1 8 PRO HA . 8 . HA 1 1
56 1 2 1 1 9 PRO HG3 . 9 . HG1 1 1
57 1 1 1 1 7 ILE HA . 7 . HA 1 1
57 1 2 1 1 7 ILE MG . 7 . HG2# 1 1
58 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
58 1 2 1 1 9 PRO HD3 . 9 . HD1 1 1
59 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
59 1 2 1 1 8 PRO HD2 . 8 . HD2 1 1
60 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
60 1 2 1 1 8 PRO HD3 . 8 . HD1 1 1
61 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
61 1 2 1 1 9 PRO HD2 . 9 . HD2 1 1
62 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
62 1 2 1 1 8 PRO HA . 8 . HA 1 1
63 1 1 1 1 10 ILE HA . 10 . HA 1 1
63 1 2 1 1 10 ILE MD . 10 . HD1# 1 1
64 1 1 1 1 10 ILE HA . 10 . HA 1 1
64 1 2 1 1 10 ILE MG . 10 . HG2# 1 1
65 1 1 1 1 10 ILE HB . 10 . HB 1 1
65 1 2 1 1 10 ILE MD . 10 . HD1# 1 1
66 1 1 1 1 10 ILE HG12 . 10 . HG12 1 1
66 1 2 1 1 10 ILE MG . 10 . HG2# 1 1
67 1 1 1 1 10 ILE HG13 . 10 . HG11 1 1
67 1 2 1 1 10 ILE MG . 10 . HG2# 1 1
68 1 1 1 1 4 THR MG . 4 . HG2# 1 1
68 1 2 1 1 9 PRO HA . 9 . HA 1 1
69 1 1 1 1 8 PRO HB3 . 8 . HB1 1 1
69 1 2 1 1 9 PRO HD2 . 9 . HD2 1 1
70 1 1 1 1 8 PRO HB3 . 8 . HB1 1 1
70 1 2 1 1 9 PRO HD3 . 9 . HD1 1 1
71 1 1 1 1 8 PRO HB2 . 8 . HB2 1 1
71 1 2 1 1 9 PRO HD3 . 9 . HD1 1 1
72 1 1 1 1 8 PRO HB2 . 8 . HB2 1 1
72 1 2 1 1 9 PRO HD2 . 9 . HD2 1 1
73 1 1 1 1 3 ALA HA . 3 . HA 1 1
73 1 2 1 1 4 THR MG . 4 . HG2# 1 1
74 1 1 1 1 5 LYS HA . 5 . HA 1 1
74 1 2 1 1 5 LYS HD2 . 5 . HD2 1 1
75 1 1 1 1 5 LYS HA . 5 . HA 1 1
75 1 2 1 1 5 LYS HD3 . 5 . HD1 1 1
76 1 1 1 1 4 THR HA . 4 . HA 1 1
76 1 2 1 1 4 THR MG . 4 . HG2# 1 1
77 1 1 1 1 7 ILE HA . 7 . HA 1 1
77 1 2 1 1 9 PRO HD2 . 9 . HD2 1 1
78 1 1 1 1 7 ILE HA . 7 . HA 1 1
78 1 2 1 1 9 PRO HD3 . 9 . HD1 1 1
79 1 1 1 1 2 ARG H . 2 . HN 1 1
79 1 2 1 1 2 ARG QB . 2 . HB# 1 1
80 1 1 1 1 2 ARG H . 2 . HN 1 1
80 1 2 1 1 2 ARG QG . 2 . HG# 1 1
81 1 1 1 1 2 ARG QB . 2 . HB# 1 1
81 1 2 1 1 2 ARG HE . 2 . HE 1 1
82 1 1 1 1 2 ARG QB . 2 . HB# 1 1
82 1 2 1 1 3 ALA H . 3 . HN 1 1
83 1 1 1 1 2 ARG QB . 2 . HB# 1 1
83 1 2 1 1 12 PHE HB2 . 12 . HB2 1 1
84 1 1 1 1 2 ARG QB . 2 . HB# 1 1
84 1 2 1 1 12 PHE QD . 12 . HD# 1 1
85 1 1 1 1 2 ARG QG . 2 . HG# 1 1
85 1 2 1 1 3 ALA H . 3 . HN 1 1
86 1 1 1 1 4 THR MG . 4 . HG2# 1 1
86 1 2 1 1 6 SER QB . 6 . HB# 1 1
87 1 1 1 1 5 LYS H . 5 . HN 1 1
87 1 2 1 1 5 LYS QB . 5 . HB# 1 1
88 1 1 1 1 5 LYS H . 5 . HN 1 1
88 1 2 1 1 5 LYS QG . 5 . HG# 1 1
89 1 1 1 1 5 LYS QB . 5 . HB# 1 1
89 1 2 1 1 5 LYS QG . 5 . HG# 1 1
90 1 1 1 1 5 LYS QG . 5 . HG# 1 1
90 1 2 1 1 6 SER H . 6 . HN 1 1
91 1 1 1 1 6 SER QB . 6 . HB# 1 1
91 1 2 1 1 7 ILE H . 7 . HN 1 1
92 1 1 1 1 7 ILE H . 7 . HN 1 1
92 1 2 1 1 7 ILE QG . 7 . HG1# 1 1
93 1 1 1 1 7 ILE HA . 7 . HA 1 1
93 1 2 1 1 9 PRO QD . 9 . HD# 1 1
94 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
94 1 2 1 1 8 PRO QB . 8 . HB# 1 1
95 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
95 1 2 1 1 8 PRO QD . 8 . HD# 1 1
96 1 1 1 1 7 ILE MG . 7 . HG2# 1 1
96 1 2 1 1 9 PRO QD . 9 . HD# 1 1
97 1 1 1 1 8 PRO HA . 8 . HA 1 1
97 1 2 1 1 9 PRO QG . 9 . HG# 1 1
98 1 1 1 1 8 PRO QB . 8 . HB# 1 1
98 1 2 1 1 9 PRO QD . 9 . HD# 1 1
99 1 1 1 1 14 ASP H . 14 . HN 1 1
99 1 2 1 1 14 ASP QB . 14 . HB# 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.525 1.8 3.25 1 1
2 1 . . . . . 2.64 1.8 3.48 1 1
3 1 . . . . . 2.325 1.8 2.85 1 1
4 1 . . . . . 2.5 1.8 3.2 1 1
5 1 . . . . . 2.66 1.8 3.52 1 1
6 1 . . . . . 2.61 1.8 3.42 1 1
7 1 . . . . . 3.025 1.8 4.25 1 1
8 1 . . . . . 2.85 1.8 3.9 1 1
9 1 . . . . . 2.85 1.8 3.9 1 1
10 1 . . . . . 2.32 1.8 2.84 1 1
11 1 . . . . . 2.65 1.8 3.5 1 1
12 1 . . . . . 2.605 1.8 3.41 1 1
13 1 . . . . . 3.335 1.8 4.87 1 1
14 1 . . . . . 2.655 1.8 3.51 1 1
15 1 . . . . . 2.455 1.8 3.11 1 1
16 1 . . . . . 2.455 1.8 3.11 1 1
17 1 . . . . . 2.92 1.8 4.04 1 1
18 1 . . . . . 2.32 1.8 2.84 1 1
19 1 . . . . . 3.035 1.8 4.27 1 1
20 1 . . . . . 3.095 1.8 4.39 1 1
21 1 . . . . . 2.99 1.8 4.18 1 1
22 1 . . . . . 2.42 1.8 3.04 1 1
23 1 . . . . . 2.365 1.8 2.93 1 1
24 1 . . . . . 2.335 1.8 2.87 1 1
25 1 . . . . . 2.46 1.8 3.12 1 1
26 1 . . . . . 2.695 1.8 3.59 1 1
27 1 . . . . . 2.775 1.8 3.75 1 1
28 1 . . . . . 2.775 1.8 3.75 1 1
29 1 . . . . . 3.65 1.8 5.5 1 1
30 1 . . . . . 3.65 1.8 5.5 1 1
31 1 . . . . . 3.475 1.8 5.15 1 1
32 1 . . . . . 3.61 1.8 5.42 1 1
33 1 . . . . . 3.03 1.8 4.26 1 1
34 1 . . . . . 3.42 1.8 5.04 1 1
35 1 . . . . . 3.42 1.8 5.04 1 1
36 1 . . . . . 2.475 1.8 3.15 1 1
37 1 . . . . . 3.105 1.8 4.41 1 1
38 1 . . . . . 3.23 1.8 4.66 1 1
39 1 . . . . . 3.105 1.8 4.41 1 1
40 1 . . . . . 3.01 1.8 4.22 1 1
41 1 . . . . . 3.13 1.8 4.46 1 1
42 1 . . . . . 3.155 1.8 4.51 1 1
43 1 . . . . . 3.205 1.8 4.61 1 1
44 1 . . . . . 3.165 1.8 4.53 1 1
45 1 . . . . . 2.72 1.8 3.64 1 1
46 1 . . . . . 2.88 1.8 3.96 1 1
47 1 . . . . . 3.15 1.8 4.5 1 1
48 1 . . . . . 3.395 1.8 4.99 1 1
49 1 . . . . . 3.335 1.8 4.87 1 1
50 1 . . . . . 3.485 1.8 5.17 1 1
51 1 . . . . . 3.65 1.8 5.5 1 1
52 1 . . . . . 3.195 1.8 4.59 1 1
53 1 . . . . . 3.35 1.8 4.9 1 1
54 1 . . . . . 3.35 1.8 4.9 1 1
55 1 . . . . . 3.65 1.8 5.5 1 1
56 1 . . . . . 3.65 1.8 5.5 1 1
57 1 . . . . . 2.515 1.8 3.23 1 1
58 1 . . . . . 3.32 1.8 4.84 1 1
59 1 . . . . . 3.39 1.8 4.98 1 1
60 1 . . . . . 3.39 1.8 4.98 1 1
61 1 . . . . . 3.32 1.8 4.84 1 1
62 1 . . . . . 2.66 1.8 3.52 1 1
63 1 . . . . . 3.035 1.8 4.27 1 1
64 1 . . . . . 2.75 1.8 3.7 1 1
65 1 . . . . . 2.875 1.8 3.95 1 1
66 1 . . . . . 2.98 1.8 4.16 1 1
67 1 . . . . . 2.98 1.8 4.16 1 1
68 1 . . . . . 3.39 1.8 4.98 1 1
69 1 . . . . . 3.275 1.8 4.75 1 1
70 1 . . . . . 3.275 1.8 4.75 1 1
71 1 . . . . . 3.275 1.8 4.75 1 1
72 1 . . . . . 3.275 1.8 4.75 1 1
73 1 . . . . . 3.165 1.8 4.53 1 1
74 1 . . . . . 3.65 1.8 5.5 1 1
75 1 . . . . . 3.65 1.8 5.5 1 1
76 1 . . . . . 2.68 1.8 3.56 1 1
77 1 . . . . . 3.05 1.8 4.3 1 1
78 1 . . . . . 3.05 1.8 4.3 1 1
79 1 . . . . . 2.45 1.8 3.1 1 1
80 1 . . . . . 3.245 1.8 4.69 1 1
81 1 . . . . . 3.175 1.8 4.55 1 1
82 1 . . . . . 2.9 1.8 4.0 1 1
83 1 . . . . . 3.05 1.8 4.3 1 1
84 1 . . . . . 3.01 1.8 4.22 1 1
85 1 . . . . . 3.225 1.8 4.65 1 1
86 1 . . . . . 3.535 1.8 5.27 1 1
87 1 . . . . . 2.545 1.8 3.29 1 1
88 1 . . . . . 3.245 1.8 4.69 1 1
89 1 . . . . . 2.08 1.8 2.36 1 1
90 1 . . . . . 3.27 1.8 4.74 1 1
91 1 . . . . . 2.49 1.8 3.18 1 1
92 1 . . . . . 2.935 1.8 4.07 1 1
93 1 . . . . . 2.745 1.8 3.69 1 1
94 1 . . . . . 3.185 1.8 4.57 1 1
95 1 . . . . . 2.98 1.8 4.16 1 1
96 1 . . . . . 2.92 1.8 4.04 1 1
97 1 . . . . . 3.265 1.8 4.73 1 1
98 1 . . . . . 2.56 1.8 3.32 1 1
99 1 . . . . . 2.565 1.8 3.33 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
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 4 THR OG1 . 4 . OG1 1 2
1 1 2 1 1 10 ILE H . 10 . HN 1 2
2 1 1 1 1 4 THR OG1 . 4 . OG1 1 2
2 1 2 1 1 10 ILE N . 10 . N 1 2
3 1 1 1 1 2 ARG O . 2 . O 1 2
3 1 2 1 1 12 PHE H . 12 . HN 1 2
4 1 1 1 1 2 ARG O . 2 . O 1 2
4 1 2 1 1 12 PHE N . 12 . N 1 2
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 . . . . . 0.0 0.0 2.0 1 2
2 1 . . . . . 0.0 0.0 3.0 1 2
3 1 . . . . . 0.0 0.0 2.0 1 2
4 1 . . . . . 0.0 0.0 3.0 1 2
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 2 ARG C 1 1 3 ALA N 1 1 3 ALA CA 1 1 3 ALA C -150.1 -110.1 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
2 . 1 1 3 ALA N 1 1 3 ALA CA 1 1 3 ALA C 1 1 4 THR N 134.4 174.4 . 3 . N . 3 . CA . 3 . C . 4 . N 1 1
3 . 1 1 3 ALA C 1 1 4 THR N 1 1 4 THR CA 1 1 4 THR C -152.9 -72.7 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1
4 . 1 1 4 THR N 1 1 4 THR CA 1 1 4 THR C 1 1 5 LYS N 116.2 172.6 . 4 . N . 4 . CA . 4 . C . 5 . N 1 1
5 . 1 1 5 LYS C 1 1 6 SER N 1 1 6 SER CA 1 1 6 SER C -158.0 -52.8 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
6 . 1 1 6 SER N 1 1 6 SER CA 1 1 6 SER C 1 1 7 ILE N 112.8 178.0 . 6 . N . 6 . CA . 6 . C . 7 . N 1 1
7 . 1 1 6 SER C 1 1 7 ILE N 1 1 7 ILE CA 1 1 7 ILE C -138.1 -60.7 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1
8 . 1 1 7 ILE N 1 1 7 ILE CA 1 1 7 ILE C 1 1 8 PRO N 102.7 153.1 . 7 . N . 7 . CA . 7 . C . 8 . N 1 1
9 . 1 1 8 PRO N 1 1 8 PRO CA 1 1 8 PRO C 1 1 9 PRO N 129.2 169.2 . 8 . N . 8 . CA . 8 . C . 9 . N 1 1
10 . 1 1 9 PRO C 1 1 10 ILE N 1 1 10 ILE CA 1 1 10 ILE C -153.0 -63.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1
11 . 1 1 10 ILE N 1 1 10 ILE CA 1 1 10 ILE C 1 1 11 ALA N 107.3 151.7 . 10 . N . 10 . CA . 10 . C . 11 . N 1 1
12 . 1 1 10 ILE C 1 1 11 ALA N 1 1 11 ALA CA 1 1 11 ALA C -135.6 -60.399998 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1
13 . 1 1 11 ALA N 1 1 11 ALA CA 1 1 11 ALA C 1 1 12 PHE N 95.5 155.1 . 11 . N . 11 . CA . 11 . C . 12 . N 1 1
14 . 1 1 11 ALA C 1 1 12 PHE N 1 1 12 PHE CA 1 1 12 PHE C -150.4 -79.8 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1
15 . 1 1 12 PHE N 1 1 12 PHE CA 1 1 12 PHE C 1 1 13 PRO N 53.9 129.7 . 12 . N . 12 . CA . 12 . C . 13 . N 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 GLY C C -6.440 -3.303 1.595 1.00 . A A . 1 GLY C 1 1
1 2 1 1 1 GLY CA C -7.670 -2.873 2.298 1.00 . A A . 1 GLY CA 1 1
1 3 1 1 1 GLY H1 H -7.994 -0.967 1.485 1.00 . A A . 1 GLY H1 1 1
1 4 1 1 1 GLY HA2 H -7.410 -2.445 3.255 1.00 . A A . 1 GLY HA2 1 1
1 5 1 1 1 GLY HA3 H -8.315 -3.729 2.438 1.00 . A A . 1 GLY HA3 1 1
1 6 1 1 1 GLY N N -8.337 -1.888 1.506 1.00 . A A . 1 GLY N 1 1
1 7 1 1 1 GLY O O -5.970 -4.423 1.752 1.00 . A A . 1 GLY O 1 1
1 8 1 1 2 ARG C C -3.621 -1.845 0.436 1.00 . A A . 2 ARG C 1 1
1 9 1 1 2 ARG CA C -4.797 -2.680 -0.012 1.00 . A A . 2 ARG CA 1 1
1 10 1 1 2 ARG CB C -5.195 -2.321 -1.426 1.00 . A A . 2 ARG CB 1 1
1 11 1 1 2 ARG CD C -4.782 -2.382 -3.868 1.00 . A A . 2 ARG CD 1 1
1 12 1 1 2 ARG CG C -4.311 -2.878 -2.513 1.00 . A A . 2 ARG CG 1 1
1 13 1 1 2 ARG CZ C -6.880 -2.358 -5.212 1.00 . A A . 2 ARG CZ 1 1
1 14 1 1 2 ARG H H -6.252 -1.478 0.859 1.00 . A A . 2 ARG H 1 1
1 15 1 1 2 ARG HA H -4.564 -3.732 0.035 1.00 . A A . 2 ARG HA 1 1
1 16 1 1 2 ARG HB2 H -6.198 -2.683 -1.595 1.00 . A A . 2 ARG HB2 1 1
1 17 1 1 2 ARG HB3 H -5.205 -1.246 -1.511 1.00 . A A . 2 ARG HB3 1 1
1 18 1 1 2 ARG HD2 H -4.577 -1.324 -3.944 1.00 . A A . 2 ARG HD2 1 1
1 19 1 1 2 ARG HD3 H -4.235 -2.909 -4.635 1.00 . A A . 2 ARG HD3 1 1
1 20 1 1 2 ARG HE H -6.747 -2.937 -3.308 1.00 . A A . 2 ARG HE 1 1
1 21 1 1 2 ARG HG2 H -3.295 -2.555 -2.345 1.00 . A A . 2 ARG HG2 1 1
1 22 1 1 2 ARG HG3 H -4.362 -3.956 -2.496 1.00 . A A . 2 ARG HG3 1 1
1 23 1 1 2 ARG HH11 H -5.248 -1.712 -6.269 1.00 . A A . 2 ARG HH11 1 1
1 24 1 1 2 ARG HH12 H -6.697 -1.704 -7.148 1.00 . A A . 2 ARG HH12 1 1
1 25 1 1 2 ARG HH21 H -8.672 -2.930 -4.460 1.00 . A A . 2 ARG HH21 1 1
1 26 1 1 2 ARG HH22 H -8.740 -2.399 -6.083 1.00 . A A . 2 ARG HH22 1 1
1 27 1 1 2 ARG N N -5.902 -2.395 0.834 1.00 . A A . 2 ARG N 1 1
1 28 1 1 2 ARG NE N -6.225 -2.601 -4.079 1.00 . A A . 2 ARG NE 1 1
1 29 1 1 2 ARG NH1 N -6.233 -1.893 -6.278 1.00 . A A . 2 ARG NH1 1 1
1 30 1 1 2 ARG NH2 N -8.186 -2.576 -5.266 1.00 . A A . 2 ARG NH2 1 1
1 31 1 1 2 ARG O O -3.693 -0.624 0.444 1.00 . A A . 2 ARG O 1 1
1 32 1 1 3 ALA C C -0.197 -2.486 0.683 1.00 . A A . 3 ALA C 1 1
1 33 1 1 3 ALA CA C -1.386 -1.852 1.323 1.00 . A A . 3 ALA CA 1 1
1 34 1 1 3 ALA CB C -1.307 -1.966 2.851 1.00 . A A . 3 ALA CB 1 1
1 35 1 1 3 ALA H H -2.592 -3.478 0.844 1.00 . A A . 3 ALA H 1 1
1 36 1 1 3 ALA HA H -1.424 -0.808 1.052 1.00 . A A . 3 ALA HA 1 1
1 37 1 1 3 ALA HB2 H -0.267 -1.995 3.142 1.00 . A A . 3 ALA HB2 1 1
1 38 1 1 3 ALA HB3 H -1.786 -2.882 3.163 1.00 . A A . 3 ALA HB3 1 1
1 39 1 1 3 ALA N N -2.588 -2.497 0.848 1.00 . A A . 3 ALA N 1 1
1 40 1 1 3 ALA O O -0.130 -3.707 0.590 1.00 . A A . 3 ALA O 1 1
1 41 1 1 4 THR C C 2.996 -2.243 0.642 1.00 . A A . 4 THR C 1 1
1 42 1 1 4 THR CA C 1.893 -2.184 -0.390 1.00 . A A . 4 THR CA 1 1
1 43 1 1 4 THR CB C 2.327 -1.294 -1.576 1.00 . A A . 4 THR CB 1 1
1 44 1 1 4 THR CG2 C 1.329 -1.380 -2.720 1.00 . A A . 4 THR CG2 1 1
1 45 1 1 4 THR H H 0.637 -0.707 0.239 1.00 . A A . 4 THR H 1 1
1 46 1 1 4 THR HA H 1.691 -3.178 -0.762 1.00 . A A . 4 THR HA 1 1
1 47 1 1 4 THR HB H 3.292 -1.633 -1.925 1.00 . A A . 4 THR HB 1 1
1 48 1 1 4 THR HG1 H 3.192 0.432 -1.635 1.00 . A A . 4 THR HG1 1 1
1 49 1 1 4 THR HG21 H 0.356 -1.064 -2.373 1.00 . A A . 4 THR HG21 1 1
1 50 1 1 4 THR HG22 H 1.273 -2.400 -3.072 1.00 . A A . 4 THR HG22 1 1
1 51 1 1 4 THR HG23 H 1.648 -0.738 -3.527 1.00 . A A . 4 THR HG23 1 1
1 52 1 1 4 THR N N 0.715 -1.686 0.209 1.00 . A A . 4 THR N 1 1
1 53 1 1 4 THR O O 3.084 -1.382 1.521 1.00 . A A . 4 THR O 1 1
1 54 1 1 4 THR OG1 O 2.443 0.069 -1.148 1.00 . A A . 4 THR OG1 1 1
1 55 1 1 5 LYS C C 6.140 -2.795 0.779 1.00 . A A . 5 LYS C 1 1
1 56 1 1 5 LYS CA C 4.937 -3.394 1.457 1.00 . A A . 5 LYS CA 1 1
1 57 1 1 5 LYS CB C 5.174 -4.851 1.807 1.00 . A A . 5 LYS CB 1 1
1 58 1 1 5 LYS CD C 4.197 -6.936 2.791 1.00 . A A . 5 LYS CD 1 1
1 59 1 1 5 LYS CE C 3.066 -7.499 3.631 1.00 . A A . 5 LYS CE 1 1
1 60 1 1 5 LYS CG C 4.060 -5.441 2.637 1.00 . A A . 5 LYS CG 1 1
1 61 1 1 5 LYS H H 3.595 -3.978 -0.070 1.00 . A A . 5 LYS H 1 1
1 62 1 1 5 LYS HA H 4.733 -2.836 2.359 1.00 . A A . 5 LYS HA 1 1
1 63 1 1 5 LYS HB2 H 5.253 -5.417 0.891 1.00 . A A . 5 LYS HB2 1 1
1 64 1 1 5 LYS HB3 H 6.096 -4.936 2.361 1.00 . A A . 5 LYS HB3 1 1
1 65 1 1 5 LYS HD2 H 4.170 -7.392 1.812 1.00 . A A . 5 LYS HD2 1 1
1 66 1 1 5 LYS HD3 H 5.139 -7.158 3.269 1.00 . A A . 5 LYS HD3 1 1
1 67 1 1 5 LYS HE2 H 3.192 -8.570 3.696 1.00 . A A . 5 LYS HE2 1 1
1 68 1 1 5 LYS HE3 H 3.129 -7.067 4.618 1.00 . A A . 5 LYS HE3 1 1
1 69 1 1 5 LYS HG2 H 4.088 -4.990 3.618 1.00 . A A . 5 LYS HG2 1 1
1 70 1 1 5 LYS HG3 H 3.116 -5.212 2.168 1.00 . A A . 5 LYS HG3 1 1
1 71 1 1 5 LYS HZ1 H 1.579 -6.191 2.968 1.00 . A A . 5 LYS HZ1 1 1
1 72 1 1 5 LYS HZ2 H 0.981 -7.576 3.680 1.00 . A A . 5 LYS HZ2 1 1
1 73 1 1 5 LYS HZ3 H 1.619 -7.639 2.115 1.00 . A A . 5 LYS HZ3 1 1
1 74 1 1 5 LYS N N 3.791 -3.269 0.582 1.00 . A A . 5 LYS N 1 1
1 75 1 1 5 LYS NZ N 1.732 -7.215 3.059 1.00 . A A . 5 LYS NZ 1 1
1 76 1 1 5 LYS O O 7.165 -2.516 1.411 1.00 . A A . 5 LYS O 1 1
1 77 1 1 6 SER C C 7.042 -0.490 -1.022 1.00 . A A . 6 SER C 1 1
1 78 1 1 6 SER CA C 7.023 -1.980 -1.302 1.00 . A A . 6 SER CA 1 1
1 79 1 1 6 SER CB C 6.741 -2.257 -2.772 1.00 . A A . 6 SER CB 1 1
1 80 1 1 6 SER H H 5.120 -2.769 -0.915 1.00 . A A . 6 SER H 1 1
1 81 1 1 6 SER HA H 7.971 -2.410 -1.024 1.00 . A A . 6 SER HA 1 1
1 82 1 1 6 SER HB2 H 5.839 -1.745 -3.068 1.00 . A A . 6 SER HB2 1 1
1 83 1 1 6 SER HB3 H 7.571 -1.911 -3.372 1.00 . A A . 6 SER HB3 1 1
1 84 1 1 6 SER HG H 6.844 -4.107 -2.172 1.00 . A A . 6 SER HG 1 1
1 85 1 1 6 SER N N 5.990 -2.569 -0.505 1.00 . A A . 6 SER N 1 1
1 86 1 1 6 SER O O 5.991 0.117 -0.888 1.00 . A A . 6 SER O 1 1
1 87 1 1 6 SER OG O 6.573 -3.655 -2.983 1.00 . A A . 6 SER OG 1 1
1 88 1 1 7 ILE C C 8.063 2.353 -1.781 1.00 . A A . 7 ILE C 1 1
1 89 1 1 7 ILE CA C 8.372 1.473 -0.562 1.00 . A A . 7 ILE CA 1 1
1 90 1 1 7 ILE CB C 9.814 1.744 -0.052 1.00 . A A . 7 ILE CB 1 1
1 91 1 1 7 ILE CD1 C 11.532 0.938 1.664 1.00 . A A . 7 ILE CD1 1 1
1 92 1 1 7 ILE CG1 C 10.125 0.817 1.133 1.00 . A A . 7 ILE CG1 1 1
1 93 1 1 7 ILE CG2 C 9.992 3.209 0.356 1.00 . A A . 7 ILE CG2 1 1
1 94 1 1 7 ILE H H 9.022 -0.451 -1.112 1.00 . A A . 7 ILE H 1 1
1 95 1 1 7 ILE HA H 7.671 1.687 0.229 1.00 . A A . 7 ILE HA 1 1
1 96 1 1 7 ILE HB H 10.507 1.524 -0.850 1.00 . A A . 7 ILE HB 1 1
1 97 1 1 7 ILE HD11 H 11.699 1.942 2.027 1.00 . A A . 7 ILE HD11 1 1
1 98 1 1 7 ILE HD12 H 12.231 0.722 0.871 1.00 . A A . 7 ILE HD12 1 1
1 99 1 1 7 ILE HD13 H 11.673 0.233 2.468 1.00 . A A . 7 ILE HD13 1 1
1 100 1 1 7 ILE HG12 H 9.451 1.050 1.944 1.00 . A A . 7 ILE HG12 1 1
1 101 1 1 7 ILE HG13 H 9.968 -0.207 0.828 1.00 . A A . 7 ILE HG13 1 1
1 102 1 1 7 ILE HG21 H 9.769 3.848 -0.486 1.00 . A A . 7 ILE HG21 1 1
1 103 1 1 7 ILE HG22 H 11.013 3.370 0.670 1.00 . A A . 7 ILE HG22 1 1
1 104 1 1 7 ILE HG23 H 9.326 3.438 1.174 1.00 . A A . 7 ILE HG23 1 1
1 105 1 1 7 ILE N N 8.217 0.075 -0.916 1.00 . A A . 7 ILE N 1 1
1 106 1 1 7 ILE O O 8.576 2.089 -2.881 1.00 . A A . 7 ILE O 1 1
1 107 1 1 8 PRO C C 5.306 2.938 -0.101 1.00 . A A . 8 PRO C 1 1
1 108 1 1 8 PRO CA C 6.578 3.749 -0.360 1.00 . A A . 8 PRO CA 1 1
1 109 1 1 8 PRO CB C 6.225 5.216 -0.561 1.00 . A A . 8 PRO CB 1 1
1 110 1 1 8 PRO CD C 6.849 4.327 -2.710 1.00 . A A . 8 PRO CD 1 1
1 111 1 1 8 PRO CG C 5.985 5.358 -2.025 1.00 . A A . 8 PRO CG 1 1
1 112 1 1 8 PRO HA H 7.255 3.652 0.476 1.00 . A A . 8 PRO HA 1 1
1 113 1 1 8 PRO HB2 H 5.341 5.455 0.012 1.00 . A A . 8 PRO HB2 1 1
1 114 1 1 8 PRO HB3 H 7.048 5.831 -0.235 1.00 . A A . 8 PRO HB3 1 1
1 115 1 1 8 PRO HD2 H 6.287 3.815 -3.475 1.00 . A A . 8 PRO HD2 1 1
1 116 1 1 8 PRO HD3 H 7.726 4.789 -3.136 1.00 . A A . 8 PRO HD3 1 1
1 117 1 1 8 PRO HG2 H 4.943 5.175 -2.242 1.00 . A A . 8 PRO HG2 1 1
1 118 1 1 8 PRO HG3 H 6.260 6.352 -2.347 1.00 . A A . 8 PRO HG3 1 1
1 119 1 1 8 PRO N N 7.224 3.394 -1.631 1.00 . A A . 8 PRO N 1 1
1 120 1 1 8 PRO O O 4.541 2.660 -1.036 1.00 . A A . 8 PRO O 1 1
1 121 1 1 9 PRO C C 2.643 2.639 1.386 1.00 . A A . 9 PRO C 1 1
1 122 1 1 9 PRO CA C 3.887 1.764 1.502 1.00 . A A . 9 PRO CA 1 1
1 123 1 1 9 PRO CB C 4.124 1.327 2.954 1.00 . A A . 9 PRO CB 1 1
1 124 1 1 9 PRO CD C 5.964 2.736 2.309 1.00 . A A . 9 PRO CD 1 1
1 125 1 1 9 PRO CG C 5.157 2.261 3.486 1.00 . A A . 9 PRO CG 1 1
1 126 1 1 9 PRO HA H 3.772 0.901 0.862 1.00 . A A . 9 PRO HA 1 1
1 127 1 1 9 PRO HB2 H 3.200 1.402 3.506 1.00 . A A . 9 PRO HB2 1 1
1 128 1 1 9 PRO HB3 H 4.475 0.305 2.968 1.00 . A A . 9 PRO HB3 1 1
1 129 1 1 9 PRO HD2 H 6.198 3.785 2.416 1.00 . A A . 9 PRO HD2 1 1
1 130 1 1 9 PRO HD3 H 6.871 2.158 2.218 1.00 . A A . 9 PRO HD3 1 1
1 131 1 1 9 PRO HG2 H 4.676 3.096 3.972 1.00 . A A . 9 PRO HG2 1 1
1 132 1 1 9 PRO HG3 H 5.788 1.741 4.190 1.00 . A A . 9 PRO HG3 1 1
1 133 1 1 9 PRO N N 5.079 2.516 1.151 1.00 . A A . 9 PRO N 1 1
1 134 1 1 9 PRO O O 2.406 3.536 2.209 1.00 . A A . 9 PRO O 1 1
1 135 1 1 10 ILE C C -0.472 2.337 0.441 1.00 . A A . 10 ILE C 1 1
1 136 1 1 10 ILE CA C 0.713 3.185 0.092 1.00 . A A . 10 ILE CA 1 1
1 137 1 1 10 ILE CB C 0.627 3.695 -1.374 1.00 . A A . 10 ILE CB 1 1
1 138 1 1 10 ILE CD1 C 0.650 2.941 -3.823 1.00 . A A . 10 ILE CD1 1 1
1 139 1 1 10 ILE CG1 C 0.723 2.527 -2.374 1.00 . A A . 10 ILE CG1 1 1
1 140 1 1 10 ILE CG2 C 1.717 4.731 -1.636 1.00 . A A . 10 ILE CG2 1 1
1 141 1 1 10 ILE H H 2.139 1.708 -0.284 1.00 . A A . 10 ILE H 1 1
1 142 1 1 10 ILE HA H 0.729 4.034 0.762 1.00 . A A . 10 ILE HA 1 1
1 143 1 1 10 ILE HB H -0.326 4.188 -1.496 1.00 . A A . 10 ILE HB 1 1
1 144 1 1 10 ILE HD11 H 0.700 2.061 -4.450 1.00 . A A . 10 ILE HD11 1 1
1 145 1 1 10 ILE HD12 H 1.480 3.595 -4.053 1.00 . A A . 10 ILE HD12 1 1
1 146 1 1 10 ILE HD13 H -0.279 3.461 -4.005 1.00 . A A . 10 ILE HD13 1 1
1 147 1 1 10 ILE HG12 H 1.663 2.019 -2.229 1.00 . A A . 10 ILE HG12 1 1
1 148 1 1 10 ILE HG13 H -0.084 1.836 -2.182 1.00 . A A . 10 ILE HG13 1 1
1 149 1 1 10 ILE HG21 H 1.588 5.565 -0.963 1.00 . A A . 10 ILE HG21 1 1
1 150 1 1 10 ILE HG22 H 1.651 5.074 -2.657 1.00 . A A . 10 ILE HG22 1 1
1 151 1 1 10 ILE HG23 H 2.685 4.280 -1.470 1.00 . A A . 10 ILE HG23 1 1
1 152 1 1 10 ILE N N 1.902 2.431 0.342 1.00 . A A . 10 ILE N 1 1
1 153 1 1 10 ILE O O -0.463 1.113 0.212 1.00 . A A . 10 ILE O 1 1
1 154 1 1 11 ALA C C -3.847 2.769 0.962 1.00 . A A . 11 ALA C 1 1
1 155 1 1 11 ALA CA C -2.580 2.195 1.485 1.00 . A A . 11 ALA CA 1 1
1 156 1 1 11 ALA CB C -2.632 2.052 3.013 1.00 . A A . 11 ALA CB 1 1
1 157 1 1 11 ALA H H -1.433 3.904 1.198 1.00 . A A . 11 ALA H 1 1
1 158 1 1 11 ALA HA H -2.476 1.203 1.069 1.00 . A A . 11 ALA HA 1 1
1 159 1 1 11 ALA HB1 H -3.425 1.363 3.263 1.00 . A A . 11 ALA HB1 1 1
1 160 1 1 11 ALA HB2 H -2.846 2.985 3.505 1.00 . A A . 11 ALA HB2 1 1
1 161 1 1 11 ALA N N -1.455 2.936 1.044 1.00 . A A . 11 ALA N 1 1
1 162 1 1 11 ALA O O -4.033 3.993 0.895 1.00 . A A . 11 ALA O 1 1
1 163 1 1 12 PHE C C -7.032 1.637 0.928 1.00 . A A . 12 PHE C 1 1
1 164 1 1 12 PHE CA C -5.972 2.234 0.032 1.00 . A A . 12 PHE CA 1 1
1 165 1 1 12 PHE CB C -6.115 1.662 -1.386 1.00 . A A . 12 PHE CB 1 1
1 166 1 1 12 PHE CD1 C -3.977 1.211 -2.641 1.00 . A A . 12 PHE CD1 1 1
1 167 1 1 12 PHE CD2 C -5.047 3.315 -2.954 1.00 . A A . 12 PHE CD2 1 1
1 168 1 1 12 PHE CE1 C -2.986 1.579 -3.525 1.00 . A A . 12 PHE CE1 1 1
1 169 1 1 12 PHE CE2 C -4.053 3.688 -3.838 1.00 . A A . 12 PHE CE2 1 1
1 170 1 1 12 PHE CG C -5.022 2.075 -2.345 1.00 . A A . 12 PHE CG 1 1
1 171 1 1 12 PHE CZ C -3.024 2.820 -4.123 1.00 . A A . 12 PHE CZ 1 1
1 172 1 1 12 PHE H H -4.462 0.947 0.692 1.00 . A A . 12 PHE H 1 1
1 173 1 1 12 PHE HA H -6.065 3.309 -0.001 1.00 . A A . 12 PHE HA 1 1
1 174 1 1 12 PHE HB2 H -6.120 0.585 -1.332 1.00 . A A . 12 PHE HB2 1 1
1 175 1 1 12 PHE HB3 H -7.058 1.991 -1.797 1.00 . A A . 12 PHE HB3 1 1
1 176 1 1 12 PHE HD1 H -3.939 0.240 -2.172 1.00 . A A . 12 PHE HD1 1 1
1 177 1 1 12 PHE HD2 H -5.850 4.002 -2.733 1.00 . A A . 12 PHE HD2 1 1
1 178 1 1 12 PHE HE1 H -2.176 0.896 -3.745 1.00 . A A . 12 PHE HE1 1 1
1 179 1 1 12 PHE HE2 H -4.083 4.661 -4.304 1.00 . A A . 12 PHE HE2 1 1
1 180 1 1 12 PHE HZ H -2.249 3.110 -4.817 1.00 . A A . 12 PHE HZ 1 1
1 181 1 1 12 PHE N N -4.703 1.899 0.582 1.00 . A A . 12 PHE N 1 1
1 182 1 1 12 PHE O O -6.915 0.455 1.289 1.00 . A A . 12 PHE O 1 1
1 183 1 1 13 PRO C C -9.811 0.663 1.801 1.00 . A A . 13 PRO C 1 1
1 184 1 1 13 PRO CA C -9.193 2.017 2.201 1.00 . A A . 13 PRO CA 1 1
1 185 1 1 13 PRO CB C -10.217 3.118 2.004 1.00 . A A . 13 PRO CB 1 1
1 186 1 1 13 PRO CD C -8.165 3.879 0.987 1.00 . A A . 13 PRO CD 1 1
1 187 1 1 13 PRO CG C -9.421 4.336 1.678 1.00 . A A . 13 PRO CG 1 1
1 188 1 1 13 PRO HA H -8.897 1.978 3.239 1.00 . A A . 13 PRO HA 1 1
1 189 1 1 13 PRO HB2 H -10.875 2.837 1.197 1.00 . A A . 13 PRO HB2 1 1
1 190 1 1 13 PRO HB3 H -10.788 3.249 2.910 1.00 . A A . 13 PRO HB3 1 1
1 191 1 1 13 PRO HD2 H -8.245 4.014 -0.080 1.00 . A A . 13 PRO HD2 1 1
1 192 1 1 13 PRO HD3 H -7.315 4.426 1.368 1.00 . A A . 13 PRO HD3 1 1
1 193 1 1 13 PRO HG2 H -9.989 4.979 1.024 1.00 . A A . 13 PRO HG2 1 1
1 194 1 1 13 PRO HG3 H -9.176 4.862 2.588 1.00 . A A . 13 PRO HG3 1 1
1 195 1 1 13 PRO N N -8.056 2.446 1.330 1.00 . A A . 13 PRO N 1 1
1 196 1 1 13 PRO O O -10.443 -0.010 2.619 1.00 . A A . 13 PRO O 1 1
1 197 1 1 14 ASP C C -9.410 -2.170 0.805 1.00 . A A . 14 ASP C 1 1
1 198 1 1 14 ASP CA C -9.979 -1.019 -0.040 1.00 . A A . 14 ASP CA 1 1
1 199 1 1 14 ASP CB C -9.402 -1.090 -1.472 1.00 . A A . 14 ASP CB 1 1
1 200 1 1 14 ASP CG C -9.391 -2.482 -2.093 1.00 . A A . 14 ASP CG 1 1
1 201 1 1 14 ASP H H -9.260 0.989 -0.061 1.00 . A A . 14 ASP H 1 1
1 202 1 1 14 ASP HA H -11.053 -1.108 -0.097 1.00 . A A . 14 ASP HA 1 1
1 203 1 1 14 ASP HB2 H -9.989 -0.451 -2.114 1.00 . A A . 14 ASP HB2 1 1
1 204 1 1 14 ASP HB3 H -8.389 -0.717 -1.451 1.00 . A A . 14 ASP HB3 1 1
1 205 1 1 14 ASP N N -9.631 0.301 0.534 1.00 . A A . 14 ASP N 1 1
1 206 1 1 14 ASP O O -9.969 -3.272 0.845 1.00 . A A . 14 ASP O 1 1
1 207 1 1 14 ASP OD1 O -10.456 -3.002 -2.472 1.00 . A A . 14 ASP OD1 1 1
1 208 1 1 14 ASP OD2 O -8.299 -3.049 -2.275 1.00 . A A . 14 ASP OD2 1 1
1 209 2 2 1 . C C -1.967 -0.814 3.575 1.00 . B A . 101 WMH C 1 1
1 210 2 2 1 . C1 C -1.367 1.516 3.614 1.00 . B A . 101 WMH C1 1 1
1 211 2 2 1 . C2 C -0.261 2.230 3.948 1.00 . B A . 101 WMH C2 1 1
1 212 2 2 1 . H1 H -2.510 -1.053 4.472 1.00 . B A . 101 WMH H1 1 1
1 213 2 2 1 . H2 H -2.697 -0.436 2.878 1.00 . B A . 101 WMH H2 1 1
1 214 2 2 1 . H5 H -0.160 3.303 3.894 1.00 . B A . 101 WMH H5 1 1
1 215 2 2 1 . N N -1.103 0.249 3.814 1.00 . B A . 101 WMH N 1 1
1 216 2 2 1 . N1 N 0.676 1.375 4.356 1.00 . B A . 101 WMH N1 1 1
1 217 2 2 1 . N2 N 0.216 0.169 4.293 1.00 . B A . 101 WMH N2 1 1
2 218 1 1 1 GLY C C -6.798 -3.568 1.288 1.00 . A A . 1 GLY C 1 1
2 219 1 1 1 GLY CA C -8.028 -3.025 1.947 1.00 . A A . 1 GLY CA 1 1
2 220 1 1 1 GLY H1 H -8.026 -1.066 1.172 1.00 . A A . 1 GLY H1 1 1
2 221 1 1 1 GLY HA2 H -7.789 -2.711 2.953 1.00 . A A . 1 GLY HA2 1 1
2 222 1 1 1 GLY HA3 H -8.779 -3.801 1.982 1.00 . A A . 1 GLY HA3 1 1
2 223 1 1 1 GLY N N -8.539 -1.903 1.209 1.00 . A A . 1 GLY N 1 1
2 224 1 1 1 GLY O O -6.662 -4.769 1.093 1.00 . A A . 1 GLY O 1 1
2 225 1 1 2 ARG C C -3.574 -2.095 0.692 1.00 . A A . 2 ARG C 1 1
2 226 1 1 2 ARG CA C -4.668 -3.018 0.246 1.00 . A A . 2 ARG CA 1 1
2 227 1 1 2 ARG CB C -4.815 -2.967 -1.278 1.00 . A A . 2 ARG CB 1 1
2 228 1 1 2 ARG CD C -5.809 -3.945 -3.354 1.00 . A A . 2 ARG CD 1 1
2 229 1 1 2 ARG CG C -5.593 -4.127 -1.872 1.00 . A A . 2 ARG CG 1 1
2 230 1 1 2 ARG CZ C -6.408 -1.769 -4.422 1.00 . A A . 2 ARG CZ 1 1
2 231 1 1 2 ARG H H -6.043 -1.725 1.130 1.00 . A A . 2 ARG H 1 1
2 232 1 1 2 ARG HA H -4.408 -4.024 0.539 1.00 . A A . 2 ARG HA 1 1
2 233 1 1 2 ARG HB2 H -5.322 -2.053 -1.547 1.00 . A A . 2 ARG HB2 1 1
2 234 1 1 2 ARG HB3 H -3.828 -2.959 -1.715 1.00 . A A . 2 ARG HB3 1 1
2 235 1 1 2 ARG HD2 H -4.854 -3.768 -3.824 1.00 . A A . 2 ARG HD2 1 1
2 236 1 1 2 ARG HD3 H -6.245 -4.848 -3.756 1.00 . A A . 2 ARG HD3 1 1
2 237 1 1 2 ARG HE H -7.601 -2.907 -3.221 1.00 . A A . 2 ARG HE 1 1
2 238 1 1 2 ARG HG2 H -5.046 -5.043 -1.705 1.00 . A A . 2 ARG HG2 1 1
2 239 1 1 2 ARG HG3 H -6.551 -4.183 -1.378 1.00 . A A . 2 ARG HG3 1 1
2 240 1 1 2 ARG HH11 H -4.439 -2.281 -4.747 1.00 . A A . 2 ARG HH11 1 1
2 241 1 1 2 ARG HH12 H -4.927 -0.846 -5.508 1.00 . A A . 2 ARG HH12 1 1
2 242 1 1 2 ARG HH21 H -8.271 -0.934 -4.323 1.00 . A A . 2 ARG HH21 1 1
2 243 1 1 2 ARG HH22 H -7.162 -0.062 -5.263 1.00 . A A . 2 ARG HH22 1 1
2 244 1 1 2 ARG N N -5.907 -2.672 0.916 1.00 . A A . 2 ARG N 1 1
2 245 1 1 2 ARG NE N -6.705 -2.817 -3.639 1.00 . A A . 2 ARG NE 1 1
2 246 1 1 2 ARG NH1 N -5.177 -1.626 -4.923 1.00 . A A . 2 ARG NH1 1 1
2 247 1 1 2 ARG NH2 N -7.340 -0.863 -4.685 1.00 . A A . 2 ARG NH2 1 1
2 248 1 1 2 ARG O O -3.819 -0.915 0.933 1.00 . A A . 2 ARG O 1 1
2 249 1 1 3 ALA C C -0.013 -2.385 0.527 1.00 . A A . 3 ALA C 1 1
2 250 1 1 3 ALA CA C -1.231 -1.903 1.261 1.00 . A A . 3 ALA CA 1 1
2 251 1 1 3 ALA CB C -1.053 -2.104 2.777 1.00 . A A . 3 ALA CB 1 1
2 252 1 1 3 ALA H H -2.266 -3.578 0.606 1.00 . A A . 3 ALA H 1 1
2 253 1 1 3 ALA HA H -1.378 -0.850 1.070 1.00 . A A . 3 ALA HA 1 1
2 254 1 1 3 ALA HB2 H 0.002 -2.073 3.008 1.00 . A A . 3 ALA HB2 1 1
2 255 1 1 3 ALA HB3 H -1.440 -3.076 3.046 1.00 . A A . 3 ALA HB3 1 1
2 256 1 1 3 ALA N N -2.396 -2.627 0.818 1.00 . A A . 3 ALA N 1 1
2 257 1 1 3 ALA O O 0.182 -3.592 0.378 1.00 . A A . 3 ALA O 1 1
2 258 1 1 4 THR C C 3.016 -2.205 0.483 1.00 . A A . 4 THR C 1 1
2 259 1 1 4 THR CA C 2.006 -1.846 -0.587 1.00 . A A . 4 THR CA 1 1
2 260 1 1 4 THR CB C 2.538 -0.736 -1.515 1.00 . A A . 4 THR CB 1 1
2 261 1 1 4 THR CG2 C 1.669 -0.604 -2.758 1.00 . A A . 4 THR CG2 1 1
2 262 1 1 4 THR H H 0.589 -0.512 0.112 1.00 . A A . 4 THR H 1 1
2 263 1 1 4 THR HA H 1.803 -2.732 -1.172 1.00 . A A . 4 THR HA 1 1
2 264 1 1 4 THR HB H 3.544 -0.990 -1.814 1.00 . A A . 4 THR HB 1 1
2 265 1 1 4 THR HG1 H 3.388 0.960 -1.060 1.00 . A A . 4 THR HG1 1 1
2 266 1 1 4 THR HG21 H 0.658 -0.363 -2.464 1.00 . A A . 4 THR HG21 1 1
2 267 1 1 4 THR HG22 H 1.674 -1.537 -3.301 1.00 . A A . 4 THR HG22 1 1
2 268 1 1 4 THR HG23 H 2.058 0.182 -3.387 1.00 . A A . 4 THR HG23 1 1
2 269 1 1 4 THR N N 0.790 -1.473 0.047 1.00 . A A . 4 THR N 1 1
2 270 1 1 4 THR O O 3.135 -1.511 1.508 1.00 . A A . 4 THR O 1 1
2 271 1 1 4 THR OG1 O 2.565 0.509 -0.815 1.00 . A A . 4 THR OG1 1 1
2 272 1 1 5 LYS C C 6.053 -3.514 0.817 1.00 . A A . 5 LYS C 1 1
2 273 1 1 5 LYS CA C 4.637 -3.796 1.263 1.00 . A A . 5 LYS CA 1 1
2 274 1 1 5 LYS CB C 4.392 -5.287 1.490 1.00 . A A . 5 LYS CB 1 1
2 275 1 1 5 LYS CD C 2.517 -4.873 3.186 1.00 . A A . 5 LYS CD 1 1
2 276 1 1 5 LYS CE C 3.339 -5.275 4.408 1.00 . A A . 5 LYS CE 1 1
2 277 1 1 5 LYS CG C 2.948 -5.612 1.910 1.00 . A A . 5 LYS CG 1 1
2 278 1 1 5 LYS H H 3.602 -3.768 -0.572 1.00 . A A . 5 LYS H 1 1
2 279 1 1 5 LYS HA H 4.458 -3.266 2.186 1.00 . A A . 5 LYS HA 1 1
2 280 1 1 5 LYS HB2 H 4.607 -5.816 0.575 1.00 . A A . 5 LYS HB2 1 1
2 281 1 1 5 LYS HB3 H 5.058 -5.638 2.264 1.00 . A A . 5 LYS HB3 1 1
2 282 1 1 5 LYS HD2 H 2.621 -3.809 3.032 1.00 . A A . 5 LYS HD2 1 1
2 283 1 1 5 LYS HD3 H 1.476 -5.097 3.373 1.00 . A A . 5 LYS HD3 1 1
2 284 1 1 5 LYS HE2 H 4.380 -5.071 4.214 1.00 . A A . 5 LYS HE2 1 1
2 285 1 1 5 LYS HE3 H 3.012 -4.683 5.252 1.00 . A A . 5 LYS HE3 1 1
2 286 1 1 5 LYS HG2 H 2.284 -5.323 1.110 1.00 . A A . 5 LYS HG2 1 1
2 287 1 1 5 LYS HG3 H 2.860 -6.676 2.073 1.00 . A A . 5 LYS HG3 1 1
2 288 1 1 5 LYS HZ1 H 2.179 -6.930 4.902 1.00 . A A . 5 LYS HZ1 1 1
2 289 1 1 5 LYS HZ2 H 3.705 -6.948 5.601 1.00 . A A . 5 LYS HZ2 1 1
2 290 1 1 5 LYS HZ3 H 3.517 -7.325 3.971 1.00 . A A . 5 LYS HZ3 1 1
2 291 1 1 5 LYS N N 3.704 -3.292 0.281 1.00 . A A . 5 LYS N 1 1
2 292 1 1 5 LYS NZ N 3.182 -6.706 4.736 1.00 . A A . 5 LYS NZ 1 1
2 293 1 1 5 LYS O O 7.014 -4.177 1.224 1.00 . A A . 5 LYS O 1 1
2 294 1 1 6 SER C C 7.290 -0.513 -0.530 1.00 . A A . 6 SER C 1 1
2 295 1 1 6 SER CA C 7.387 -2.027 -0.507 1.00 . A A . 6 SER CA 1 1
2 296 1 1 6 SER CB C 7.611 -2.596 -1.915 1.00 . A A . 6 SER CB 1 1
2 297 1 1 6 SER H H 5.356 -2.012 -0.258 1.00 . A A . 6 SER H 1 1
2 298 1 1 6 SER HA H 8.187 -2.339 0.147 1.00 . A A . 6 SER HA 1 1
2 299 1 1 6 SER HB2 H 8.488 -2.141 -2.350 1.00 . A A . 6 SER HB2 1 1
2 300 1 1 6 SER HB3 H 7.758 -3.664 -1.848 1.00 . A A . 6 SER HB3 1 1
2 301 1 1 6 SER HG H 6.765 -1.683 -3.414 1.00 . A A . 6 SER HG 1 1
2 302 1 1 6 SER N N 6.158 -2.509 0.009 1.00 . A A . 6 SER N 1 1
2 303 1 1 6 SER O O 6.193 0.028 -0.342 1.00 . A A . 6 SER O 1 1
2 304 1 1 6 SER OG O 6.490 -2.340 -2.761 1.00 . A A . 6 SER OG 1 1
2 305 1 1 7 ILE C C 7.862 2.071 -2.148 1.00 . A A . 7 ILE C 1 1
2 306 1 1 7 ILE CA C 8.401 1.606 -0.784 1.00 . A A . 7 ILE CA 1 1
2 307 1 1 7 ILE CB C 9.843 2.151 -0.569 1.00 . A A . 7 ILE CB 1 1
2 308 1 1 7 ILE CD1 C 9.592 2.114 1.991 1.00 . A A . 7 ILE CD1 1 1
2 309 1 1 7 ILE CG1 C 10.409 1.689 0.782 1.00 . A A . 7 ILE CG1 1 1
2 310 1 1 7 ILE CG2 C 9.906 3.667 -0.688 1.00 . A A . 7 ILE CG2 1 1
2 311 1 1 7 ILE H H 9.235 -0.326 -0.851 1.00 . A A . 7 ILE H 1 1
2 312 1 1 7 ILE HA H 7.762 1.967 0.007 1.00 . A A . 7 ILE HA 1 1
2 313 1 1 7 ILE HB H 10.462 1.739 -1.353 1.00 . A A . 7 ILE HB 1 1
2 314 1 1 7 ILE HD11 H 8.609 1.670 1.939 1.00 . A A . 7 ILE HD11 1 1
2 315 1 1 7 ILE HD12 H 9.501 3.191 2.003 1.00 . A A . 7 ILE HD12 1 1
2 316 1 1 7 ILE HD13 H 10.089 1.781 2.891 1.00 . A A . 7 ILE HD13 1 1
2 317 1 1 7 ILE HG12 H 10.457 0.610 0.790 1.00 . A A . 7 ILE HG12 1 1
2 318 1 1 7 ILE HG13 H 11.406 2.087 0.898 1.00 . A A . 7 ILE HG13 1 1
2 319 1 1 7 ILE HG21 H 9.547 3.964 -1.663 1.00 . A A . 7 ILE HG21 1 1
2 320 1 1 7 ILE HG22 H 10.928 3.991 -0.567 1.00 . A A . 7 ILE HG22 1 1
2 321 1 1 7 ILE HG23 H 9.292 4.117 0.078 1.00 . A A . 7 ILE HG23 1 1
2 322 1 1 7 ILE N N 8.390 0.158 -0.729 1.00 . A A . 7 ILE N 1 1
2 323 1 1 7 ILE O O 8.284 1.545 -3.184 1.00 . A A . 7 ILE O 1 1
2 324 1 1 8 PRO C C 5.194 2.971 -0.412 1.00 . A A . 8 PRO C 1 1
2 325 1 1 8 PRO CA C 6.402 3.712 -0.993 1.00 . A A . 8 PRO CA 1 1
2 326 1 1 8 PRO CB C 5.986 5.086 -1.527 1.00 . A A . 8 PRO CB 1 1
2 327 1 1 8 PRO CD C 6.288 3.556 -3.398 1.00 . A A . 8 PRO CD 1 1
2 328 1 1 8 PRO CG C 5.682 4.880 -2.983 1.00 . A A . 8 PRO CG 1 1
2 329 1 1 8 PRO HA H 7.159 3.833 -0.232 1.00 . A A . 8 PRO HA 1 1
2 330 1 1 8 PRO HB2 H 5.116 5.431 -0.987 1.00 . A A . 8 PRO HB2 1 1
2 331 1 1 8 PRO HB3 H 6.797 5.785 -1.391 1.00 . A A . 8 PRO HB3 1 1
2 332 1 1 8 PRO HD2 H 5.519 2.876 -3.733 1.00 . A A . 8 PRO HD2 1 1
2 333 1 1 8 PRO HD3 H 7.017 3.708 -4.180 1.00 . A A . 8 PRO HD3 1 1
2 334 1 1 8 PRO HG2 H 4.613 4.855 -3.132 1.00 . A A . 8 PRO HG2 1 1
2 335 1 1 8 PRO HG3 H 6.112 5.686 -3.559 1.00 . A A . 8 PRO HG3 1 1
2 336 1 1 8 PRO N N 6.928 3.049 -2.180 1.00 . A A . 8 PRO N 1 1
2 337 1 1 8 PRO O O 4.381 2.413 -1.161 1.00 . A A . 8 PRO O 1 1
2 338 1 1 9 PRO C C 2.666 3.085 1.508 1.00 . A A . 9 PRO C 1 1
2 339 1 1 9 PRO CA C 3.954 2.252 1.549 1.00 . A A . 9 PRO CA 1 1
2 340 1 1 9 PRO CB C 4.437 2.029 2.981 1.00 . A A . 9 PRO CB 1 1
2 341 1 1 9 PRO CD C 5.964 3.554 1.907 1.00 . A A . 9 PRO CD 1 1
2 342 1 1 9 PRO CG C 5.378 3.157 3.243 1.00 . A A . 9 PRO CG 1 1
2 343 1 1 9 PRO HA H 3.766 1.301 1.072 1.00 . A A . 9 PRO HA 1 1
2 344 1 1 9 PRO HB2 H 3.596 2.040 3.658 1.00 . A A . 9 PRO HB2 1 1
2 345 1 1 9 PRO HB3 H 4.945 1.079 3.043 1.00 . A A . 9 PRO HB3 1 1
2 346 1 1 9 PRO HD2 H 5.966 4.628 1.801 1.00 . A A . 9 PRO HD2 1 1
2 347 1 1 9 PRO HD3 H 6.966 3.163 1.809 1.00 . A A . 9 PRO HD3 1 1
2 348 1 1 9 PRO HG2 H 4.829 3.984 3.668 1.00 . A A . 9 PRO HG2 1 1
2 349 1 1 9 PRO HG3 H 6.158 2.838 3.917 1.00 . A A . 9 PRO HG3 1 1
2 350 1 1 9 PRO N N 5.058 2.934 0.916 1.00 . A A . 9 PRO N 1 1
2 351 1 1 9 PRO O O 2.435 3.971 2.351 1.00 . A A . 9 PRO O 1 1
2 352 1 1 10 ILE C C -0.481 2.552 0.627 1.00 . A A . 10 ILE C 1 1
2 353 1 1 10 ILE CA C 0.634 3.533 0.350 1.00 . A A . 10 ILE CA 1 1
2 354 1 1 10 ILE CB C 0.493 4.190 -1.074 1.00 . A A . 10 ILE CB 1 1
2 355 1 1 10 ILE CD1 C -0.982 6.128 -0.263 1.00 . A A . 10 ILE CD1 1 1
2 356 1 1 10 ILE CG1 C -0.835 4.956 -1.218 1.00 . A A . 10 ILE CG1 1 1
2 357 1 1 10 ILE CG2 C 0.655 3.172 -2.199 1.00 . A A . 10 ILE CG2 1 1
2 358 1 1 10 ILE H H 2.108 2.141 -0.133 1.00 . A A . 10 ILE H 1 1
2 359 1 1 10 ILE HA H 0.599 4.306 1.105 1.00 . A A . 10 ILE HA 1 1
2 360 1 1 10 ILE HB H 1.305 4.895 -1.176 1.00 . A A . 10 ILE HB 1 1
2 361 1 1 10 ILE HD11 H -0.938 5.774 0.758 1.00 . A A . 10 ILE HD11 1 1
2 362 1 1 10 ILE HD12 H -1.931 6.614 -0.431 1.00 . A A . 10 ILE HD12 1 1
2 363 1 1 10 ILE HD13 H -0.184 6.835 -0.433 1.00 . A A . 10 ILE HD13 1 1
2 364 1 1 10 ILE HG12 H -0.914 5.341 -2.223 1.00 . A A . 10 ILE HG12 1 1
2 365 1 1 10 ILE HG13 H -1.653 4.274 -1.037 1.00 . A A . 10 ILE HG13 1 1
2 366 1 1 10 ILE HG21 H 0.552 3.667 -3.153 1.00 . A A . 10 ILE HG21 1 1
2 367 1 1 10 ILE HG22 H -0.105 2.409 -2.106 1.00 . A A . 10 ILE HG22 1 1
2 368 1 1 10 ILE HG23 H 1.632 2.713 -2.134 1.00 . A A . 10 ILE HG23 1 1
2 369 1 1 10 ILE N N 1.871 2.847 0.513 1.00 . A A . 10 ILE N 1 1
2 370 1 1 10 ILE O O -0.432 1.388 0.185 1.00 . A A . 10 ILE O 1 1
2 371 1 1 11 ALA C C -3.788 2.588 1.224 1.00 . A A . 11 ALA C 1 1
2 372 1 1 11 ALA CA C -2.489 2.089 1.761 1.00 . A A . 11 ALA CA 1 1
2 373 1 1 11 ALA CB C -2.544 1.813 3.263 1.00 . A A . 11 ALA CB 1 1
2 374 1 1 11 ALA H H -1.437 3.871 1.786 1.00 . A A . 11 ALA H 1 1
2 375 1 1 11 ALA HA H -2.280 1.151 1.266 1.00 . A A . 11 ALA HA 1 1
2 376 1 1 11 ALA HB1 H -3.301 1.068 3.448 1.00 . A A . 11 ALA HB1 1 1
2 377 1 1 11 ALA HB2 H -2.798 2.684 3.839 1.00 . A A . 11 ALA HB2 1 1
2 378 1 1 11 ALA N N -1.431 2.961 1.417 1.00 . A A . 11 ALA N 1 1
2 379 1 1 11 ALA O O -4.040 3.796 1.152 1.00 . A A . 11 ALA O 1 1
2 380 1 1 12 PHE C C -6.934 1.525 1.137 1.00 . A A . 12 PHE C 1 1
2 381 1 1 12 PHE CA C -5.830 1.940 0.192 1.00 . A A . 12 PHE CA 1 1
2 382 1 1 12 PHE CB C -5.944 1.136 -1.116 1.00 . A A . 12 PHE CB 1 1
2 383 1 1 12 PHE CD1 C -5.019 2.446 -3.049 1.00 . A A . 12 PHE CD1 1 1
2 384 1 1 12 PHE CD2 C -3.688 0.689 -2.142 1.00 . A A . 12 PHE CD2 1 1
2 385 1 1 12 PHE CE1 C -4.028 2.719 -3.973 1.00 . A A . 12 PHE CE1 1 1
2 386 1 1 12 PHE CE2 C -2.697 0.955 -3.061 1.00 . A A . 12 PHE CE2 1 1
2 387 1 1 12 PHE CG C -4.862 1.430 -2.124 1.00 . A A . 12 PHE CG 1 1
2 388 1 1 12 PHE CZ C -2.866 1.972 -3.978 1.00 . A A . 12 PHE CZ 1 1
2 389 1 1 12 PHE H H -4.307 0.732 0.924 1.00 . A A . 12 PHE H 1 1
2 390 1 1 12 PHE HA H -5.885 2.992 -0.038 1.00 . A A . 12 PHE HA 1 1
2 391 1 1 12 PHE HB2 H -5.888 0.083 -0.879 1.00 . A A . 12 PHE HB2 1 1
2 392 1 1 12 PHE HB3 H -6.897 1.334 -1.579 1.00 . A A . 12 PHE HB3 1 1
2 393 1 1 12 PHE HD1 H -5.928 3.029 -3.044 1.00 . A A . 12 PHE HD1 1 1
2 394 1 1 12 PHE HD2 H -3.552 -0.107 -1.423 1.00 . A A . 12 PHE HD2 1 1
2 395 1 1 12 PHE HE1 H -4.161 3.513 -4.693 1.00 . A A . 12 PHE HE1 1 1
2 396 1 1 12 PHE HE2 H -1.789 0.368 -3.060 1.00 . A A . 12 PHE HE2 1 1
2 397 1 1 12 PHE HZ H -2.089 2.181 -4.698 1.00 . A A . 12 PHE HZ 1 1
2 398 1 1 12 PHE N N -4.578 1.672 0.807 1.00 . A A . 12 PHE N 1 1
2 399 1 1 12 PHE O O -6.881 0.403 1.679 1.00 . A A . 12 PHE O 1 1
2 400 1 1 13 PRO C C -9.843 0.829 1.744 1.00 . A A . 13 PRO C 1 1
2 401 1 1 13 PRO CA C -9.110 2.089 2.236 1.00 . A A . 13 PRO CA 1 1
2 402 1 1 13 PRO CB C -10.020 3.325 2.112 1.00 . A A . 13 PRO CB 1 1
2 403 1 1 13 PRO CD C -7.997 3.801 0.899 1.00 . A A . 13 PRO CD 1 1
2 404 1 1 13 PRO CG C -9.455 4.141 0.994 1.00 . A A . 13 PRO CG 1 1
2 405 1 1 13 PRO HA H -8.810 1.943 3.264 1.00 . A A . 13 PRO HA 1 1
2 406 1 1 13 PRO HB2 H -11.028 3.007 1.896 1.00 . A A . 13 PRO HB2 1 1
2 407 1 1 13 PRO HB3 H -10.009 3.874 3.041 1.00 . A A . 13 PRO HB3 1 1
2 408 1 1 13 PRO HD2 H -7.670 3.873 -0.128 1.00 . A A . 13 PRO HD2 1 1
2 409 1 1 13 PRO HD3 H -7.413 4.454 1.531 1.00 . A A . 13 PRO HD3 1 1
2 410 1 1 13 PRO HG2 H -9.956 3.895 0.070 1.00 . A A . 13 PRO HG2 1 1
2 411 1 1 13 PRO HG3 H -9.580 5.192 1.209 1.00 . A A . 13 PRO HG3 1 1
2 412 1 1 13 PRO N N -7.940 2.407 1.386 1.00 . A A . 13 PRO N 1 1
2 413 1 1 13 PRO O O -10.576 0.176 2.499 1.00 . A A . 13 PRO O 1 1
2 414 1 1 14 ASP C C -9.699 -1.961 0.596 1.00 . A A . 14 ASP C 1 1
2 415 1 1 14 ASP CA C -10.090 -0.707 -0.192 1.00 . A A . 14 ASP CA 1 1
2 416 1 1 14 ASP CB C -9.453 -0.772 -1.585 1.00 . A A . 14 ASP CB 1 1
2 417 1 1 14 ASP CG C -9.855 -1.976 -2.396 1.00 . A A . 14 ASP CG 1 1
2 418 1 1 14 ASP H H -9.079 1.147 -0.045 1.00 . A A . 14 ASP H 1 1
2 419 1 1 14 ASP HA H -11.161 -0.645 -0.302 1.00 . A A . 14 ASP HA 1 1
2 420 1 1 14 ASP HB2 H -9.747 0.103 -2.144 1.00 . A A . 14 ASP HB2 1 1
2 421 1 1 14 ASP HB3 H -8.379 -0.775 -1.476 1.00 . A A . 14 ASP HB3 1 1
2 422 1 1 14 ASP N N -9.602 0.502 0.479 1.00 . A A . 14 ASP N 1 1
2 423 1 1 14 ASP O O -10.458 -2.933 0.683 1.00 . A A . 14 ASP O 1 1
2 424 1 1 14 ASP OD1 O -10.865 -1.904 -3.100 1.00 . A A . 14 ASP OD1 1 1
2 425 1 1 14 ASP OD2 O -9.124 -2.982 -2.404 1.00 . A A . 14 ASP OD2 1 1
2 426 2 2 1 . C C -1.757 -1.062 3.617 1.00 . B A . 101 WMH C 1 1
2 427 2 2 1 . C1 C -1.246 1.280 3.803 1.00 . B A . 101 WMH C1 1 1
2 428 2 2 1 . C2 C -0.150 2.001 4.163 1.00 . B A . 101 WMH C2 1 1
2 429 2 2 1 . H1 H -2.242 -1.402 4.513 1.00 . B A . 101 WMH H1 1 1
2 430 2 2 1 . H2 H -2.533 -0.665 2.984 1.00 . B A . 101 WMH H2 1 1
2 431 2 2 1 . H5 H -0.070 3.078 4.171 1.00 . B A . 101 WMH H5 1 1
2 432 2 2 1 . N N -0.940 0.014 3.919 1.00 . B A . 101 WMH N 1 1
2 433 2 2 1 . N1 N 0.814 1.152 4.500 1.00 . B A . 101 WMH N1 1 1
2 434 2 2 1 . N2 N 0.376 -0.053 4.366 1.00 . B A . 101 WMH N2 1 1
3 435 1 1 1 GLY C C -6.594 -3.248 1.977 1.00 . A A . 1 GLY C 1 1
3 436 1 1 1 GLY CA C -7.782 -2.659 2.694 1.00 . A A . 1 GLY CA 1 1
3 437 1 1 1 GLY H1 H -8.023 -0.861 1.611 1.00 . A A . 1 GLY H1 1 1
3 438 1 1 1 GLY HA2 H -7.446 -2.167 3.594 1.00 . A A . 1 GLY HA2 1 1
3 439 1 1 1 GLY HA3 H -8.464 -3.454 2.957 1.00 . A A . 1 GLY HA3 1 1
3 440 1 1 1 GLY N N -8.477 -1.698 1.866 1.00 . A A . 1 GLY N 1 1
3 441 1 1 1 GLY O O -6.093 -4.310 2.341 1.00 . A A . 1 GLY O 1 1
3 442 1 1 2 ARG C C -3.805 -2.150 0.467 1.00 . A A . 2 ARG C 1 1
3 443 1 1 2 ARG CA C -5.023 -3.000 0.159 1.00 . A A . 2 ARG CA 1 1
3 444 1 1 2 ARG CB C -5.390 -2.974 -1.330 1.00 . A A . 2 ARG CB 1 1
3 445 1 1 2 ARG CD C -6.869 -3.933 -3.153 1.00 . A A . 2 ARG CD 1 1
3 446 1 1 2 ARG CG C -6.320 -4.112 -1.743 1.00 . A A . 2 ARG CG 1 1
3 447 1 1 2 ARG CZ C -8.136 -2.033 -4.201 1.00 . A A . 2 ARG CZ 1 1
3 448 1 1 2 ARG H H -6.549 -1.687 0.767 1.00 . A A . 2 ARG H 1 1
3 449 1 1 2 ARG HA H -4.812 -4.017 0.454 1.00 . A A . 2 ARG HA 1 1
3 450 1 1 2 ARG HB2 H -5.884 -2.040 -1.554 1.00 . A A . 2 ARG HB2 1 1
3 451 1 1 2 ARG HB3 H -4.485 -3.046 -1.917 1.00 . A A . 2 ARG HB3 1 1
3 452 1 1 2 ARG HD2 H -6.059 -3.625 -3.798 1.00 . A A . 2 ARG HD2 1 1
3 453 1 1 2 ARG HD3 H -7.265 -4.877 -3.501 1.00 . A A . 2 ARG HD3 1 1
3 454 1 1 2 ARG HE H -8.540 -2.955 -2.419 1.00 . A A . 2 ARG HE 1 1
3 455 1 1 2 ARG HG2 H -5.772 -5.042 -1.698 1.00 . A A . 2 ARG HG2 1 1
3 456 1 1 2 ARG HG3 H -7.144 -4.152 -1.045 1.00 . A A . 2 ARG HG3 1 1
3 457 1 1 2 ARG HH11 H -6.627 -2.718 -5.383 1.00 . A A . 2 ARG HH11 1 1
3 458 1 1 2 ARG HH12 H -7.485 -1.406 -6.024 1.00 . A A . 2 ARG HH12 1 1
3 459 1 1 2 ARG HH21 H -9.774 -1.098 -3.369 1.00 . A A . 2 ARG HH21 1 1
3 460 1 1 2 ARG HH22 H -9.299 -0.484 -4.862 1.00 . A A . 2 ARG HH22 1 1
3 461 1 1 2 ARG N N -6.141 -2.556 0.960 1.00 . A A . 2 ARG N 1 1
3 462 1 1 2 ARG NE N -7.936 -2.916 -3.202 1.00 . A A . 2 ARG NE 1 1
3 463 1 1 2 ARG NH1 N -7.370 -2.056 -5.268 1.00 . A A . 2 ARG NH1 1 1
3 464 1 1 2 ARG NH2 N -9.131 -1.155 -4.133 1.00 . A A . 2 ARG NH2 1 1
3 465 1 1 2 ARG O O -3.900 -0.937 0.511 1.00 . A A . 2 ARG O 1 1
3 466 1 1 3 ALA C C -0.254 -2.772 0.451 1.00 . A A . 3 ALA C 1 1
3 467 1 1 3 ALA CA C -1.454 -2.130 1.115 1.00 . A A . 3 ALA CA 1 1
3 468 1 1 3 ALA CB C -1.339 -2.211 2.650 1.00 . A A . 3 ALA CB 1 1
3 469 1 1 3 ALA H H -2.650 -3.761 0.551 1.00 . A A . 3 ALA H 1 1
3 470 1 1 3 ALA HA H -1.504 -1.092 0.826 1.00 . A A . 3 ALA HA 1 1
3 471 1 1 3 ALA HB2 H -0.294 -2.232 2.918 1.00 . A A . 3 ALA HB2 1 1
3 472 1 1 3 ALA HB3 H -1.806 -3.126 2.989 1.00 . A A . 3 ALA HB3 1 1
3 473 1 1 3 ALA N N -2.687 -2.789 0.690 1.00 . A A . 3 ALA N 1 1
3 474 1 1 3 ALA O O -0.224 -3.995 0.277 1.00 . A A . 3 ALA O 1 1
3 475 1 1 4 THR C C 3.023 -2.562 0.434 1.00 . A A . 4 THR C 1 1
3 476 1 1 4 THR CA C 1.890 -2.460 -0.586 1.00 . A A . 4 THR CA 1 1
3 477 1 1 4 THR CB C 2.293 -1.530 -1.754 1.00 . A A . 4 THR CB 1 1
3 478 1 1 4 THR CG2 C 1.222 -1.535 -2.837 1.00 . A A . 4 THR CG2 1 1
3 479 1 1 4 THR H H 0.670 -0.995 0.165 1.00 . A A . 4 THR H 1 1
3 480 1 1 4 THR HA H 1.675 -3.441 -0.984 1.00 . A A . 4 THR HA 1 1
3 481 1 1 4 THR HB H 3.223 -1.882 -2.177 1.00 . A A . 4 THR HB 1 1
3 482 1 1 4 THR HG1 H 3.077 0.238 -1.897 1.00 . A A . 4 THR HG1 1 1
3 483 1 1 4 THR HG21 H 0.291 -1.183 -2.419 1.00 . A A . 4 THR HG21 1 1
3 484 1 1 4 THR HG22 H 1.089 -2.541 -3.207 1.00 . A A . 4 THR HG22 1 1
3 485 1 1 4 THR HG23 H 1.521 -0.887 -3.646 1.00 . A A . 4 THR HG23 1 1
3 486 1 1 4 THR N N 0.709 -1.968 0.051 1.00 . A A . 4 THR N 1 1
3 487 1 1 4 THR O O 3.001 -1.877 1.464 1.00 . A A . 4 THR O 1 1
3 488 1 1 4 THR OG1 O 2.468 -0.180 -1.277 1.00 . A A . 4 THR OG1 1 1
3 489 1 1 5 LYS C C 6.310 -2.844 0.518 1.00 . A A . 5 LYS C 1 1
3 490 1 1 5 LYS CA C 5.121 -3.600 1.073 1.00 . A A . 5 LYS CA 1 1
3 491 1 1 5 LYS CB C 5.485 -5.071 1.210 1.00 . A A . 5 LYS CB 1 1
3 492 1 1 5 LYS CD C 4.812 -7.388 1.808 1.00 . A A . 5 LYS CD 1 1
3 493 1 1 5 LYS CE C 3.689 -8.274 2.299 1.00 . A A . 5 LYS CE 1 1
3 494 1 1 5 LYS CG C 4.380 -5.939 1.752 1.00 . A A . 5 LYS CG 1 1
3 495 1 1 5 LYS H H 3.911 -4.001 -0.618 1.00 . A A . 5 LYS H 1 1
3 496 1 1 5 LYS HA H 4.860 -3.203 2.042 1.00 . A A . 5 LYS HA 1 1
3 497 1 1 5 LYS HB2 H 5.754 -5.448 0.236 1.00 . A A . 5 LYS HB2 1 1
3 498 1 1 5 LYS HB3 H 6.339 -5.155 1.867 1.00 . A A . 5 LYS HB3 1 1
3 499 1 1 5 LYS HD2 H 5.105 -7.706 0.819 1.00 . A A . 5 LYS HD2 1 1
3 500 1 1 5 LYS HD3 H 5.652 -7.478 2.481 1.00 . A A . 5 LYS HD3 1 1
3 501 1 1 5 LYS HE2 H 4.032 -9.298 2.301 1.00 . A A . 5 LYS HE2 1 1
3 502 1 1 5 LYS HE3 H 3.428 -7.980 3.304 1.00 . A A . 5 LYS HE3 1 1
3 503 1 1 5 LYS HG2 H 4.126 -5.606 2.746 1.00 . A A . 5 LYS HG2 1 1
3 504 1 1 5 LYS HG3 H 3.518 -5.852 1.109 1.00 . A A . 5 LYS HG3 1 1
3 505 1 1 5 LYS HZ1 H 2.702 -8.411 0.447 1.00 . A A . 5 LYS HZ1 1 1
3 506 1 1 5 LYS HZ2 H 2.069 -7.223 1.471 1.00 . A A . 5 LYS HZ2 1 1
3 507 1 1 5 LYS HZ3 H 1.766 -8.837 1.768 1.00 . A A . 5 LYS HZ3 1 1
3 508 1 1 5 LYS N N 3.975 -3.437 0.184 1.00 . A A . 5 LYS N 1 1
3 509 1 1 5 LYS NZ N 2.492 -8.171 1.436 1.00 . A A . 5 LYS NZ 1 1
3 510 1 1 5 LYS O O 7.344 -2.695 1.177 1.00 . A A . 5 LYS O 1 1
3 511 1 1 6 SER C C 7.175 -0.215 -0.889 1.00 . A A . 6 SER C 1 1
3 512 1 1 6 SER CA C 7.196 -1.665 -1.358 1.00 . A A . 6 SER CA 1 1
3 513 1 1 6 SER CB C 6.973 -1.805 -2.858 1.00 . A A . 6 SER CB 1 1
3 514 1 1 6 SER H H 5.313 -2.516 -1.157 1.00 . A A . 6 SER H 1 1
3 515 1 1 6 SER HA H 8.145 -2.109 -1.099 1.00 . A A . 6 SER HA 1 1
3 516 1 1 6 SER HB2 H 7.516 -1.027 -3.376 1.00 . A A . 6 SER HB2 1 1
3 517 1 1 6 SER HB3 H 7.317 -2.774 -3.189 1.00 . A A . 6 SER HB3 1 1
3 518 1 1 6 SER HG H 5.368 -0.752 -3.025 1.00 . A A . 6 SER HG 1 1
3 519 1 1 6 SER N N 6.166 -2.389 -0.691 1.00 . A A . 6 SER N 1 1
3 520 1 1 6 SER O O 6.124 0.421 -0.895 1.00 . A A . 6 SER O 1 1
3 521 1 1 6 SER OG O 5.582 -1.683 -3.157 1.00 . A A . 6 SER OG 1 1
3 522 1 1 7 ILE C C 8.464 2.660 -1.034 1.00 . A A . 7 ILE C 1 1
3 523 1 1 7 ILE CA C 8.411 1.616 0.098 1.00 . A A . 7 ILE CA 1 1
3 524 1 1 7 ILE CB C 9.689 1.736 0.995 1.00 . A A . 7 ILE CB 1 1
3 525 1 1 7 ILE CD1 C 8.577 0.526 3.001 1.00 . A A . 7 ILE CD1 1 1
3 526 1 1 7 ILE CG1 C 9.752 0.590 2.038 1.00 . A A . 7 ILE CG1 1 1
3 527 1 1 7 ILE CG2 C 9.750 3.088 1.701 1.00 . A A . 7 ILE CG2 1 1
3 528 1 1 7 ILE H H 9.131 -0.244 -0.582 1.00 . A A . 7 ILE H 1 1
3 529 1 1 7 ILE HA H 7.535 1.788 0.704 1.00 . A A . 7 ILE HA 1 1
3 530 1 1 7 ILE HB H 10.552 1.661 0.351 1.00 . A A . 7 ILE HB 1 1
3 531 1 1 7 ILE HD11 H 7.668 0.348 2.446 1.00 . A A . 7 ILE HD11 1 1
3 532 1 1 7 ILE HD12 H 8.499 1.461 3.535 1.00 . A A . 7 ILE HD12 1 1
3 533 1 1 7 ILE HD13 H 8.732 -0.278 3.706 1.00 . A A . 7 ILE HD13 1 1
3 534 1 1 7 ILE HG12 H 9.784 -0.354 1.514 1.00 . A A . 7 ILE HG12 1 1
3 535 1 1 7 ILE HG13 H 10.655 0.697 2.620 1.00 . A A . 7 ILE HG13 1 1
3 536 1 1 7 ILE HG21 H 9.747 3.879 0.965 1.00 . A A . 7 ILE HG21 1 1
3 537 1 1 7 ILE HG22 H 10.655 3.147 2.287 1.00 . A A . 7 ILE HG22 1 1
3 538 1 1 7 ILE HG23 H 8.897 3.197 2.352 1.00 . A A . 7 ILE HG23 1 1
3 539 1 1 7 ILE N N 8.311 0.286 -0.474 1.00 . A A . 7 ILE N 1 1
3 540 1 1 7 ILE O O 9.217 2.479 -1.998 1.00 . A A . 7 ILE O 1 1
3 541 1 1 8 PRO C C 5.454 3.248 0.029 1.00 . A A . 8 PRO C 1 1
3 542 1 1 8 PRO CA C 6.755 4.037 0.153 1.00 . A A . 8 PRO CA 1 1
3 543 1 1 8 PRO CB C 6.465 5.547 0.022 1.00 . A A . 8 PRO CB 1 1
3 544 1 1 8 PRO CD C 7.581 4.789 -1.985 1.00 . A A . 8 PRO CD 1 1
3 545 1 1 8 PRO CG C 7.167 6.010 -1.219 1.00 . A A . 8 PRO CG 1 1
3 546 1 1 8 PRO HA H 7.218 3.835 1.107 1.00 . A A . 8 PRO HA 1 1
3 547 1 1 8 PRO HB2 H 5.398 5.696 -0.055 1.00 . A A . 8 PRO HB2 1 1
3 548 1 1 8 PRO HB3 H 6.835 6.061 0.897 1.00 . A A . 8 PRO HB3 1 1
3 549 1 1 8 PRO HD2 H 6.832 4.536 -2.721 1.00 . A A . 8 PRO HD2 1 1
3 550 1 1 8 PRO HD3 H 8.539 4.946 -2.459 1.00 . A A . 8 PRO HD3 1 1
3 551 1 1 8 PRO HG2 H 6.490 6.604 -1.816 1.00 . A A . 8 PRO HG2 1 1
3 552 1 1 8 PRO HG3 H 8.030 6.598 -0.952 1.00 . A A . 8 PRO HG3 1 1
3 553 1 1 8 PRO N N 7.668 3.755 -0.960 1.00 . A A . 8 PRO N 1 1
3 554 1 1 8 PRO O O 4.855 3.202 -1.055 1.00 . A A . 8 PRO O 1 1
3 555 1 1 9 PRO C C 2.549 2.665 0.882 1.00 . A A . 9 PRO C 1 1
3 556 1 1 9 PRO CA C 3.792 1.809 1.093 1.00 . A A . 9 PRO CA 1 1
3 557 1 1 9 PRO CB C 3.768 1.136 2.470 1.00 . A A . 9 PRO CB 1 1
3 558 1 1 9 PRO CD C 5.593 2.686 2.468 1.00 . A A . 9 PRO CD 1 1
3 559 1 1 9 PRO CG C 4.576 2.023 3.350 1.00 . A A . 9 PRO CG 1 1
3 560 1 1 9 PRO HA H 3.843 1.062 0.316 1.00 . A A . 9 PRO HA 1 1
3 561 1 1 9 PRO HB2 H 2.748 1.058 2.815 1.00 . A A . 9 PRO HB2 1 1
3 562 1 1 9 PRO HB3 H 4.205 0.149 2.400 1.00 . A A . 9 PRO HB3 1 1
3 563 1 1 9 PRO HD2 H 5.726 3.712 2.770 1.00 . A A . 9 PRO HD2 1 1
3 564 1 1 9 PRO HD3 H 6.530 2.154 2.505 1.00 . A A . 9 PRO HD3 1 1
3 565 1 1 9 PRO HG2 H 3.937 2.768 3.801 1.00 . A A . 9 PRO HG2 1 1
3 566 1 1 9 PRO HG3 H 5.065 1.438 4.114 1.00 . A A . 9 PRO HG3 1 1
3 567 1 1 9 PRO N N 4.996 2.621 1.119 1.00 . A A . 9 PRO N 1 1
3 568 1 1 9 PRO O O 2.327 3.661 1.585 1.00 . A A . 9 PRO O 1 1
3 569 1 1 10 ILE C C -0.588 2.157 0.065 1.00 . A A . 10 ILE C 1 1
3 570 1 1 10 ILE CA C 0.572 3.016 -0.379 1.00 . A A . 10 ILE CA 1 1
3 571 1 1 10 ILE CB C 0.462 3.406 -1.902 1.00 . A A . 10 ILE CB 1 1
3 572 1 1 10 ILE CD1 C -0.912 5.517 -1.488 1.00 . A A . 10 ILE CD1 1 1
3 573 1 1 10 ILE CG1 C -0.826 4.187 -2.201 1.00 . A A . 10 ILE CG1 1 1
3 574 1 1 10 ILE CG2 C 0.587 2.198 -2.823 1.00 . A A . 10 ILE CG2 1 1
3 575 1 1 10 ILE H H 1.985 1.501 -0.607 1.00 . A A . 10 ILE H 1 1
3 576 1 1 10 ILE HA H 0.578 3.916 0.221 1.00 . A A . 10 ILE HA 1 1
3 577 1 1 10 ILE HB H 1.303 4.046 -2.118 1.00 . A A . 10 ILE HB 1 1
3 578 1 1 10 ILE HD11 H -1.820 6.024 -1.778 1.00 . A A . 10 ILE HD11 1 1
3 579 1 1 10 ILE HD12 H -0.059 6.123 -1.758 1.00 . A A . 10 ILE HD12 1 1
3 580 1 1 10 ILE HD13 H -0.916 5.356 -0.421 1.00 . A A . 10 ILE HD13 1 1
3 581 1 1 10 ILE HG12 H -0.889 4.377 -3.263 1.00 . A A . 10 ILE HG12 1 1
3 582 1 1 10 ILE HG13 H -1.675 3.591 -1.899 1.00 . A A . 10 ILE HG13 1 1
3 583 1 1 10 ILE HG21 H -0.204 1.497 -2.598 1.00 . A A . 10 ILE HG21 1 1
3 584 1 1 10 ILE HG22 H 1.543 1.723 -2.667 1.00 . A A . 10 ILE HG22 1 1
3 585 1 1 10 ILE HG23 H 0.504 2.517 -3.850 1.00 . A A . 10 ILE HG23 1 1
3 586 1 1 10 ILE N N 1.773 2.308 -0.087 1.00 . A A . 10 ILE N 1 1
3 587 1 1 10 ILE O O -0.619 0.944 -0.213 1.00 . A A . 10 ILE O 1 1
3 588 1 1 11 ALA C C -3.857 2.509 0.750 1.00 . A A . 11 ALA C 1 1
3 589 1 1 11 ALA CA C -2.586 1.968 1.288 1.00 . A A . 11 ALA CA 1 1
3 590 1 1 11 ALA CB C -2.626 1.836 2.818 1.00 . A A . 11 ALA CB 1 1
3 591 1 1 11 ALA H H -1.416 3.676 1.060 1.00 . A A . 11 ALA H 1 1
3 592 1 1 11 ALA HA H -2.464 0.979 0.873 1.00 . A A . 11 ALA HA 1 1
3 593 1 1 11 ALA HB1 H -3.424 1.160 3.083 1.00 . A A . 11 ALA HB1 1 1
3 594 1 1 11 ALA HB2 H -2.819 2.774 3.310 1.00 . A A . 11 ALA HB2 1 1
3 595 1 1 11 ALA N N -1.484 2.726 0.819 1.00 . A A . 11 ALA N 1 1
3 596 1 1 11 ALA O O -4.077 3.720 0.714 1.00 . A A . 11 ALA O 1 1
3 597 1 1 12 PHE C C -6.997 1.627 0.761 1.00 . A A . 12 PHE C 1 1
3 598 1 1 12 PHE CA C -5.929 1.943 -0.265 1.00 . A A . 12 PHE CA 1 1
3 599 1 1 12 PHE CB C -6.136 1.101 -1.536 1.00 . A A . 12 PHE CB 1 1
3 600 1 1 12 PHE CD1 C -4.915 2.344 -3.352 1.00 . A A . 12 PHE CD1 1 1
3 601 1 1 12 PHE CD2 C -4.055 0.231 -2.661 1.00 . A A . 12 PHE CD2 1 1
3 602 1 1 12 PHE CE1 C -3.887 2.462 -4.267 1.00 . A A . 12 PHE CE1 1 1
3 603 1 1 12 PHE CE2 C -3.027 0.346 -3.574 1.00 . A A . 12 PHE CE2 1 1
3 604 1 1 12 PHE CG C -5.013 1.229 -2.539 1.00 . A A . 12 PHE CG 1 1
3 605 1 1 12 PHE CZ C -2.943 1.463 -4.376 1.00 . A A . 12 PHE CZ 1 1
3 606 1 1 12 PHE H H -4.412 0.682 0.441 1.00 . A A . 12 PHE H 1 1
3 607 1 1 12 PHE HA H -5.940 2.993 -0.519 1.00 . A A . 12 PHE HA 1 1
3 608 1 1 12 PHE HB2 H -6.220 0.061 -1.260 1.00 . A A . 12 PHE HB2 1 1
3 609 1 1 12 PHE HB3 H -7.049 1.413 -2.021 1.00 . A A . 12 PHE HB3 1 1
3 610 1 1 12 PHE HD1 H -5.652 3.130 -3.269 1.00 . A A . 12 PHE HD1 1 1
3 611 1 1 12 PHE HD2 H -4.118 -0.643 -2.030 1.00 . A A . 12 PHE HD2 1 1
3 612 1 1 12 PHE HE1 H -3.819 3.338 -4.895 1.00 . A A . 12 PHE HE1 1 1
3 613 1 1 12 PHE HE2 H -2.286 -0.437 -3.660 1.00 . A A . 12 PHE HE2 1 1
3 614 1 1 12 PHE HZ H -2.138 1.558 -5.090 1.00 . A A . 12 PHE HZ 1 1
3 615 1 1 12 PHE N N -4.669 1.628 0.323 1.00 . A A . 12 PHE N 1 1
3 616 1 1 12 PHE O O -6.969 0.522 1.328 1.00 . A A . 12 PHE O 1 1
3 617 1 1 13 PRO C C -9.836 1.126 1.939 1.00 . A A . 13 PRO C 1 1
3 618 1 1 13 PRO CA C -9.022 2.430 2.058 1.00 . A A . 13 PRO CA 1 1
3 619 1 1 13 PRO CB C -9.926 3.631 1.788 1.00 . A A . 13 PRO CB 1 1
3 620 1 1 13 PRO CD C -8.032 3.898 0.357 1.00 . A A . 13 PRO CD 1 1
3 621 1 1 13 PRO CG C -9.021 4.651 1.201 1.00 . A A . 13 PRO CG 1 1
3 622 1 1 13 PRO HA H -8.618 2.501 3.056 1.00 . A A . 13 PRO HA 1 1
3 623 1 1 13 PRO HB2 H -10.707 3.346 1.099 1.00 . A A . 13 PRO HB2 1 1
3 624 1 1 13 PRO HB3 H -10.361 3.975 2.714 1.00 . A A . 13 PRO HB3 1 1
3 625 1 1 13 PRO HD2 H -8.394 3.801 -0.656 1.00 . A A . 13 PRO HD2 1 1
3 626 1 1 13 PRO HD3 H -7.078 4.403 0.372 1.00 . A A . 13 PRO HD3 1 1
3 627 1 1 13 PRO HG2 H -9.591 5.335 0.591 1.00 . A A . 13 PRO HG2 1 1
3 628 1 1 13 PRO HG3 H -8.509 5.186 1.988 1.00 . A A . 13 PRO HG3 1 1
3 629 1 1 13 PRO N N -7.943 2.577 1.028 1.00 . A A . 13 PRO N 1 1
3 630 1 1 13 PRO O O -10.582 0.748 2.848 1.00 . A A . 13 PRO O 1 1
3 631 1 1 14 ASP C C -9.723 -1.889 1.493 1.00 . A A . 14 ASP C 1 1
3 632 1 1 14 ASP CA C -10.318 -0.821 0.563 1.00 . A A . 14 ASP CA 1 1
3 633 1 1 14 ASP CB C -10.065 -1.209 -0.883 1.00 . A A . 14 ASP CB 1 1
3 634 1 1 14 ASP CG C -10.625 -2.544 -1.252 1.00 . A A . 14 ASP CG 1 1
3 635 1 1 14 ASP H H -9.199 0.915 0.098 1.00 . A A . 14 ASP H 1 1
3 636 1 1 14 ASP HA H -11.382 -0.745 0.722 1.00 . A A . 14 ASP HA 1 1
3 637 1 1 14 ASP HB2 H -10.512 -0.472 -1.530 1.00 . A A . 14 ASP HB2 1 1
3 638 1 1 14 ASP HB3 H -8.999 -1.225 -1.056 1.00 . A A . 14 ASP HB3 1 1
3 639 1 1 14 ASP N N -9.713 0.475 0.810 1.00 . A A . 14 ASP N 1 1
3 640 1 1 14 ASP O O -10.403 -2.838 1.895 1.00 . A A . 14 ASP O 1 1
3 641 1 1 14 ASP OD1 O -9.854 -3.507 -1.333 1.00 . A A . 14 ASP OD1 1 1
3 642 1 1 14 ASP OD2 O -11.837 -2.639 -1.504 1.00 . A A . 14 ASP OD2 1 1
3 643 2 2 1 . C C -1.990 -1.046 3.379 1.00 . B A . 101 WMH C 1 1
3 644 2 2 1 . C1 C -1.359 1.284 3.402 1.00 . B A . 101 WMH C1 1 1
3 645 2 2 1 . C2 C -0.239 1.982 3.725 1.00 . B A . 101 WMH C2 1 1
3 646 2 2 1 . H1 H -2.533 -1.273 4.279 1.00 . B A . 101 WMH H1 1 1
3 647 2 2 1 . H2 H -2.720 -0.659 2.684 1.00 . B A . 101 WMH H2 1 1
3 648 2 2 1 . H5 H -0.119 3.053 3.660 1.00 . B A . 101 WMH H5 1 1
3 649 2 2 1 . N N -1.114 0.009 3.610 1.00 . B A . 101 WMH N 1 1
3 650 2 2 1 . N1 N 0.685 1.112 4.135 1.00 . B A . 101 WMH N1 1 1
3 651 2 2 1 . N2 N 0.199 -0.087 4.082 1.00 . B A . 101 WMH N2 1 1
4 652 1 1 1 GLY C C -6.600 -3.021 2.606 1.00 . A A . 1 GLY C 1 1
4 653 1 1 1 GLY CA C -7.804 -2.239 3.039 1.00 . A A . 1 GLY CA 1 1
4 654 1 1 1 GLY H1 H -7.950 -0.773 1.533 1.00 . A A . 1 GLY H1 1 1
4 655 1 1 1 GLY HA2 H -7.513 -1.519 3.789 1.00 . A A . 1 GLY HA2 1 1
4 656 1 1 1 GLY HA3 H -8.530 -2.920 3.454 1.00 . A A . 1 GLY HA3 1 1
4 657 1 1 1 GLY N N -8.399 -1.554 1.929 1.00 . A A . 1 GLY N 1 1
4 658 1 1 1 GLY O O -6.231 -4.022 3.234 1.00 . A A . 1 GLY O 1 1
4 659 1 1 2 ARG C C -3.658 -2.265 0.922 1.00 . A A . 2 ARG C 1 1
4 660 1 1 2 ARG CA C -4.821 -3.237 0.997 1.00 . A A . 2 ARG CA 1 1
4 661 1 1 2 ARG CB C -5.121 -3.882 -0.376 1.00 . A A . 2 ARG CB 1 1
4 662 1 1 2 ARG CD C -5.945 -3.675 -2.740 1.00 . A A . 2 ARG CD 1 1
4 663 1 1 2 ARG CG C -5.555 -2.921 -1.475 1.00 . A A . 2 ARG CG 1 1
4 664 1 1 2 ARG CZ C -7.524 -5.546 -3.260 1.00 . A A . 2 ARG CZ 1 1
4 665 1 1 2 ARG H H -6.295 -1.752 1.109 1.00 . A A . 2 ARG H 1 1
4 666 1 1 2 ARG HA H -4.556 -4.017 1.696 1.00 . A A . 2 ARG HA 1 1
4 667 1 1 2 ARG HB2 H -4.227 -4.380 -0.716 1.00 . A A . 2 ARG HB2 1 1
4 668 1 1 2 ARG HB3 H -5.895 -4.623 -0.252 1.00 . A A . 2 ARG HB3 1 1
4 669 1 1 2 ARG HD2 H -6.160 -2.961 -3.521 1.00 . A A . 2 ARG HD2 1 1
4 670 1 1 2 ARG HD3 H -5.119 -4.303 -3.042 1.00 . A A . 2 ARG HD3 1 1
4 671 1 1 2 ARG HE H -7.683 -4.278 -1.728 1.00 . A A . 2 ARG HE 1 1
4 672 1 1 2 ARG HG2 H -6.404 -2.351 -1.127 1.00 . A A . 2 ARG HG2 1 1
4 673 1 1 2 ARG HG3 H -4.738 -2.252 -1.699 1.00 . A A . 2 ARG HG3 1 1
4 674 1 1 2 ARG HH11 H -5.993 -5.457 -4.621 1.00 . A A . 2 ARG HH11 1 1
4 675 1 1 2 ARG HH12 H -7.126 -6.689 -4.896 1.00 . A A . 2 ARG HH12 1 1
4 676 1 1 2 ARG HH21 H -9.165 -5.910 -2.131 1.00 . A A . 2 ARG HH21 1 1
4 677 1 1 2 ARG HH22 H -8.962 -6.984 -3.453 1.00 . A A . 2 ARG HH22 1 1
4 678 1 1 2 ARG N N -5.982 -2.575 1.534 1.00 . A A . 2 ARG N 1 1
4 679 1 1 2 ARG NE N -7.126 -4.518 -2.513 1.00 . A A . 2 ARG NE 1 1
4 680 1 1 2 ARG NH1 N -6.832 -5.916 -4.324 1.00 . A A . 2 ARG NH1 1 1
4 681 1 1 2 ARG NH2 N -8.630 -6.196 -2.931 1.00 . A A . 2 ARG NH2 1 1
4 682 1 1 2 ARG O O -3.833 -1.098 0.545 1.00 . A A . 2 ARG O 1 1
4 683 1 1 3 ALA C C -0.207 -2.594 0.562 1.00 . A A . 3 ALA C 1 1
4 684 1 1 3 ALA CA C -1.301 -1.913 1.336 1.00 . A A . 3 ALA CA 1 1
4 685 1 1 3 ALA CB C -0.843 -1.632 2.780 1.00 . A A . 3 ALA CB 1 1
4 686 1 1 3 ALA H H -2.427 -3.663 1.595 1.00 . A A . 3 ALA H 1 1
4 687 1 1 3 ALA HA H -1.527 -0.975 0.853 1.00 . A A . 3 ALA HA 1 1
4 688 1 1 3 ALA HB2 H 0.173 -1.269 2.762 1.00 . A A . 3 ALA HB2 1 1
4 689 1 1 3 ALA HB3 H -0.875 -2.560 3.331 1.00 . A A . 3 ALA HB3 1 1
4 690 1 1 3 ALA N N -2.502 -2.723 1.317 1.00 . A A . 3 ALA N 1 1
4 691 1 1 3 ALA O O -0.199 -3.823 0.437 1.00 . A A . 3 ALA O 1 1
4 692 1 1 4 THR C C 3.010 -2.570 0.144 1.00 . A A . 4 THR C 1 1
4 693 1 1 4 THR CA C 1.776 -2.355 -0.733 1.00 . A A . 4 THR CA 1 1
4 694 1 1 4 THR CB C 2.094 -1.438 -1.916 1.00 . A A . 4 THR CB 1 1
4 695 1 1 4 THR CG2 C 1.008 -1.551 -2.971 1.00 . A A . 4 THR CG2 1 1
4 696 1 1 4 THR H H 0.631 -0.846 0.103 1.00 . A A . 4 THR H 1 1
4 697 1 1 4 THR HA H 1.463 -3.312 -1.125 1.00 . A A . 4 THR HA 1 1
4 698 1 1 4 THR HB H 3.039 -1.734 -2.349 1.00 . A A . 4 THR HB 1 1
4 699 1 1 4 THR HG1 H 2.188 0.469 -2.264 1.00 . A A . 4 THR HG1 1 1
4 700 1 1 4 THR HG21 H 1.232 -0.903 -3.804 1.00 . A A . 4 THR HG21 1 1
4 701 1 1 4 THR HG22 H 0.063 -1.267 -2.533 1.00 . A A . 4 THR HG22 1 1
4 702 1 1 4 THR HG23 H 0.949 -2.574 -3.314 1.00 . A A . 4 THR HG23 1 1
4 703 1 1 4 THR N N 0.684 -1.824 0.020 1.00 . A A . 4 THR N 1 1
4 704 1 1 4 THR O O 3.246 -1.823 1.106 1.00 . A A . 4 THR O 1 1
4 705 1 1 4 THR OG1 O 2.188 -0.071 -1.463 1.00 . A A . 4 THR OG1 1 1
4 706 1 1 5 LYS C C 6.202 -3.176 0.022 1.00 . A A . 5 LYS C 1 1
4 707 1 1 5 LYS CA C 4.993 -3.939 0.558 1.00 . A A . 5 LYS CA 1 1
4 708 1 1 5 LYS CB C 5.244 -5.450 0.533 1.00 . A A . 5 LYS CB 1 1
4 709 1 1 5 LYS CD C 4.485 -7.749 1.204 1.00 . A A . 5 LYS CD 1 1
4 710 1 1 5 LYS CE C 3.491 -8.568 2.023 1.00 . A A . 5 LYS CE 1 1
4 711 1 1 5 LYS CG C 4.183 -6.261 1.265 1.00 . A A . 5 LYS CG 1 1
4 712 1 1 5 LYS H H 3.527 -4.166 -0.939 1.00 . A A . 5 LYS H 1 1
4 713 1 1 5 LYS HA H 4.829 -3.633 1.579 1.00 . A A . 5 LYS HA 1 1
4 714 1 1 5 LYS HB2 H 5.272 -5.779 -0.495 1.00 . A A . 5 LYS HB2 1 1
4 715 1 1 5 LYS HB3 H 6.201 -5.649 0.991 1.00 . A A . 5 LYS HB3 1 1
4 716 1 1 5 LYS HD2 H 4.440 -8.075 0.175 1.00 . A A . 5 LYS HD2 1 1
4 717 1 1 5 LYS HD3 H 5.482 -7.914 1.586 1.00 . A A . 5 LYS HD3 1 1
4 718 1 1 5 LYS HE2 H 3.773 -9.609 1.974 1.00 . A A . 5 LYS HE2 1 1
4 719 1 1 5 LYS HE3 H 3.539 -8.239 3.049 1.00 . A A . 5 LYS HE3 1 1
4 720 1 1 5 LYS HG2 H 4.152 -5.951 2.298 1.00 . A A . 5 LYS HG2 1 1
4 721 1 1 5 LYS HG3 H 3.223 -6.076 0.806 1.00 . A A . 5 LYS HG3 1 1
4 722 1 1 5 LYS HZ1 H 1.783 -7.452 1.581 1.00 . A A . 5 LYS HZ1 1 1
4 723 1 1 5 LYS HZ2 H 1.461 -9.016 2.112 1.00 . A A . 5 LYS HZ2 1 1
4 724 1 1 5 LYS HZ3 H 2.006 -8.776 0.560 1.00 . A A . 5 LYS HZ3 1 1
4 725 1 1 5 LYS N N 3.781 -3.599 -0.178 1.00 . A A . 5 LYS N 1 1
4 726 1 1 5 LYS NZ N 2.107 -8.437 1.537 1.00 . A A . 5 LYS NZ 1 1
4 727 1 1 5 LYS O O 7.316 -3.275 0.563 1.00 . A A . 5 LYS O 1 1
4 728 1 1 6 SER C C 7.130 -0.304 -0.765 1.00 . A A . 6 SER C 1 1
4 729 1 1 6 SER CA C 6.985 -1.585 -1.620 1.00 . A A . 6 SER CA 1 1
4 730 1 1 6 SER CB C 6.585 -1.247 -3.073 1.00 . A A . 6 SER CB 1 1
4 731 1 1 6 SER H H 5.092 -2.470 -1.445 1.00 . A A . 6 SER H 1 1
4 732 1 1 6 SER HA H 7.922 -2.121 -1.621 1.00 . A A . 6 SER HA 1 1
4 733 1 1 6 SER HB2 H 6.389 -2.161 -3.612 1.00 . A A . 6 SER HB2 1 1
4 734 1 1 6 SER HB3 H 5.691 -0.641 -3.063 1.00 . A A . 6 SER HB3 1 1
4 735 1 1 6 SER HG H 8.389 -1.110 -3.760 1.00 . A A . 6 SER HG 1 1
4 736 1 1 6 SER N N 5.980 -2.429 -1.034 1.00 . A A . 6 SER N 1 1
4 737 1 1 6 SER O O 6.378 -0.099 0.195 1.00 . A A . 6 SER O 1 1
4 738 1 1 6 SER OG O 7.612 -0.537 -3.757 1.00 . A A . 6 SER OG 1 1
4 739 1 1 7 ILE C C 8.048 2.940 -1.272 1.00 . A A . 7 ILE C 1 1
4 740 1 1 7 ILE CA C 8.321 1.747 -0.359 1.00 . A A . 7 ILE CA 1 1
4 741 1 1 7 ILE CB C 9.785 1.799 0.178 1.00 . A A . 7 ILE CB 1 1
4 742 1 1 7 ILE CD1 C 11.448 0.531 1.644 1.00 . A A . 7 ILE CD1 1 1
4 743 1 1 7 ILE CG1 C 10.037 0.609 1.116 1.00 . A A . 7 ILE CG1 1 1
4 744 1 1 7 ILE CG2 C 10.073 3.125 0.894 1.00 . A A . 7 ILE CG2 1 1
4 745 1 1 7 ILE H H 8.638 0.358 -1.888 1.00 . A A . 7 ILE H 1 1
4 746 1 1 7 ILE HA H 7.634 1.761 0.473 1.00 . A A . 7 ILE HA 1 1
4 747 1 1 7 ILE HB H 10.453 1.720 -0.665 1.00 . A A . 7 ILE HB 1 1
4 748 1 1 7 ILE HD11 H 11.540 -0.311 2.314 1.00 . A A . 7 ILE HD11 1 1
4 749 1 1 7 ILE HD12 H 11.686 1.442 2.172 1.00 . A A . 7 ILE HD12 1 1
4 750 1 1 7 ILE HD13 H 12.132 0.404 0.818 1.00 . A A . 7 ILE HD13 1 1
4 751 1 1 7 ILE HG12 H 9.374 0.684 1.965 1.00 . A A . 7 ILE HG12 1 1
4 752 1 1 7 ILE HG13 H 9.826 -0.307 0.585 1.00 . A A . 7 ILE HG13 1 1
4 753 1 1 7 ILE HG21 H 11.097 3.132 1.239 1.00 . A A . 7 ILE HG21 1 1
4 754 1 1 7 ILE HG22 H 9.412 3.225 1.742 1.00 . A A . 7 ILE HG22 1 1
4 755 1 1 7 ILE HG23 H 9.913 3.948 0.213 1.00 . A A . 7 ILE HG23 1 1
4 756 1 1 7 ILE N N 8.082 0.531 -1.098 1.00 . A A . 7 ILE N 1 1
4 757 1 1 7 ILE O O 8.494 2.947 -2.421 1.00 . A A . 7 ILE O 1 1
4 758 1 1 8 PRO C C 5.334 3.009 0.456 1.00 . A A . 8 PRO C 1 1
4 759 1 1 8 PRO CA C 6.584 3.893 0.488 1.00 . A A . 8 PRO CA 1 1
4 760 1 1 8 PRO CB C 6.173 5.353 0.706 1.00 . A A . 8 PRO CB 1 1
4 761 1 1 8 PRO CD C 6.967 5.173 -1.555 1.00 . A A . 8 PRO CD 1 1
4 762 1 1 8 PRO CG C 6.008 5.916 -0.661 1.00 . A A . 8 PRO CG 1 1
4 763 1 1 8 PRO HA H 7.244 3.572 1.278 1.00 . A A . 8 PRO HA 1 1
4 764 1 1 8 PRO HB2 H 5.248 5.383 1.261 1.00 . A A . 8 PRO HB2 1 1
4 765 1 1 8 PRO HB3 H 6.940 5.871 1.259 1.00 . A A . 8 PRO HB3 1 1
4 766 1 1 8 PRO HD2 H 6.506 4.960 -2.507 1.00 . A A . 8 PRO HD2 1 1
4 767 1 1 8 PRO HD3 H 7.869 5.748 -1.698 1.00 . A A . 8 PRO HD3 1 1
4 768 1 1 8 PRO HG2 H 4.993 5.765 -0.995 1.00 . A A . 8 PRO HG2 1 1
4 769 1 1 8 PRO HG3 H 6.243 6.971 -0.652 1.00 . A A . 8 PRO HG3 1 1
4 770 1 1 8 PRO N N 7.253 3.925 -0.821 1.00 . A A . 8 PRO N 1 1
4 771 1 1 8 PRO O O 4.780 2.765 -0.627 1.00 . A A . 8 PRO O 1 1
4 772 1 1 9 PRO C C 2.488 2.562 1.339 1.00 . A A . 9 PRO C 1 1
4 773 1 1 9 PRO CA C 3.688 1.699 1.701 1.00 . A A . 9 PRO CA 1 1
4 774 1 1 9 PRO CB C 3.601 1.278 3.177 1.00 . A A . 9 PRO CB 1 1
4 775 1 1 9 PRO CD C 5.631 2.529 2.895 1.00 . A A . 9 PRO CD 1 1
4 776 1 1 9 PRO CG C 4.593 2.125 3.897 1.00 . A A . 9 PRO CG 1 1
4 777 1 1 9 PRO HA H 3.715 0.827 1.064 1.00 . A A . 9 PRO HA 1 1
4 778 1 1 9 PRO HB2 H 2.600 1.468 3.534 1.00 . A A . 9 PRO HB2 1 1
4 779 1 1 9 PRO HB3 H 3.821 0.228 3.285 1.00 . A A . 9 PRO HB3 1 1
4 780 1 1 9 PRO HD2 H 5.976 3.532 3.095 1.00 . A A . 9 PRO HD2 1 1
4 781 1 1 9 PRO HD3 H 6.459 1.836 2.908 1.00 . A A . 9 PRO HD3 1 1
4 782 1 1 9 PRO HG2 H 4.099 3.002 4.283 1.00 . A A . 9 PRO HG2 1 1
4 783 1 1 9 PRO HG3 H 5.043 1.562 4.702 1.00 . A A . 9 PRO HG3 1 1
4 784 1 1 9 PRO N N 4.918 2.466 1.608 1.00 . A A . 9 PRO N 1 1
4 785 1 1 9 PRO O O 2.158 3.525 2.038 1.00 . A A . 9 PRO O 1 1
4 786 1 1 10 ILE C C -0.477 2.200 0.225 1.00 . A A . 10 ILE C 1 1
4 787 1 1 10 ILE CA C 0.733 2.985 -0.212 1.00 . A A . 10 ILE CA 1 1
4 788 1 1 10 ILE CB C 0.735 3.158 -1.764 1.00 . A A . 10 ILE CB 1 1
4 789 1 1 10 ILE CD1 C 2.223 5.269 -1.688 1.00 . A A . 10 ILE CD1 1 1
4 790 1 1 10 ILE CG1 C 2.020 3.867 -2.246 1.00 . A A . 10 ILE CG1 1 1
4 791 1 1 10 ILE CG2 C -0.491 3.929 -2.232 1.00 . A A . 10 ILE CG2 1 1
4 792 1 1 10 ILE H H 2.203 1.502 -0.303 1.00 . A A . 10 ILE H 1 1
4 793 1 1 10 ILE HA H 0.728 3.954 0.264 1.00 . A A . 10 ILE HA 1 1
4 794 1 1 10 ILE HB H 0.696 2.173 -2.207 1.00 . A A . 10 ILE HB 1 1
4 795 1 1 10 ILE HD11 H 1.376 5.888 -1.951 1.00 . A A . 10 ILE HD11 1 1
4 796 1 1 10 ILE HD12 H 3.119 5.694 -2.117 1.00 . A A . 10 ILE HD12 1 1
4 797 1 1 10 ILE HD13 H 2.323 5.225 -0.615 1.00 . A A . 10 ILE HD13 1 1
4 798 1 1 10 ILE HG12 H 2.877 3.279 -1.952 1.00 . A A . 10 ILE HG12 1 1
4 799 1 1 10 ILE HG13 H 1.998 3.936 -3.323 1.00 . A A . 10 ILE HG13 1 1
4 800 1 1 10 ILE HG21 H -0.475 4.019 -3.307 1.00 . A A . 10 ILE HG21 1 1
4 801 1 1 10 ILE HG22 H -0.477 4.916 -1.792 1.00 . A A . 10 ILE HG22 1 1
4 802 1 1 10 ILE HG23 H -1.386 3.407 -1.925 1.00 . A A . 10 ILE HG23 1 1
4 803 1 1 10 ILE N N 1.884 2.261 0.236 1.00 . A A . 10 ILE N 1 1
4 804 1 1 10 ILE O O -0.569 0.992 -0.052 1.00 . A A . 10 ILE O 1 1
4 805 1 1 11 ALA C C -3.759 2.593 0.752 1.00 . A A . 11 ALA C 1 1
4 806 1 1 11 ALA CA C -2.511 2.120 1.431 1.00 . A A . 11 ALA CA 1 1
4 807 1 1 11 ALA CB C -2.649 2.135 2.964 1.00 . A A . 11 ALA CB 1 1
4 808 1 1 11 ALA H H -1.259 3.778 1.159 1.00 . A A . 11 ALA H 1 1
4 809 1 1 11 ALA HA H -2.365 1.098 1.117 1.00 . A A . 11 ALA HA 1 1
4 810 1 1 11 ALA HB1 H -3.402 1.411 3.234 1.00 . A A . 11 ALA HB1 1 1
4 811 1 1 11 ALA HB2 H -2.970 3.078 3.364 1.00 . A A . 11 ALA HB2 1 1
4 812 1 1 11 ALA N N -1.365 2.825 0.953 1.00 . A A . 11 ALA N 1 1
4 813 1 1 11 ALA O O -4.032 3.802 0.659 1.00 . A A . 11 ALA O 1 1
4 814 1 1 12 PHE C C -6.890 1.610 0.388 1.00 . A A . 12 PHE C 1 1
4 815 1 1 12 PHE CA C -5.685 1.888 -0.484 1.00 . A A . 12 PHE CA 1 1
4 816 1 1 12 PHE CB C -5.704 1.007 -1.741 1.00 . A A . 12 PHE CB 1 1
4 817 1 1 12 PHE CD1 C -4.354 2.315 -3.405 1.00 . A A . 12 PHE CD1 1 1
4 818 1 1 12 PHE CD2 C -3.475 0.248 -2.623 1.00 . A A . 12 PHE CD2 1 1
4 819 1 1 12 PHE CE1 C -3.236 2.490 -4.191 1.00 . A A . 12 PHE CE1 1 1
4 820 1 1 12 PHE CE2 C -2.358 0.419 -3.410 1.00 . A A . 12 PHE CE2 1 1
4 821 1 1 12 PHE CG C -4.489 1.192 -2.610 1.00 . A A . 12 PHE CG 1 1
4 822 1 1 12 PHE CZ C -2.239 1.540 -4.195 1.00 . A A . 12 PHE CZ 1 1
4 823 1 1 12 PHE H H -4.219 0.716 0.434 1.00 . A A . 12 PHE H 1 1
4 824 1 1 12 PHE HA H -5.685 2.924 -0.782 1.00 . A A . 12 PHE HA 1 1
4 825 1 1 12 PHE HB2 H -5.748 -0.030 -1.443 1.00 . A A . 12 PHE HB2 1 1
4 826 1 1 12 PHE HB3 H -6.579 1.247 -2.329 1.00 . A A . 12 PHE HB3 1 1
4 827 1 1 12 PHE HD1 H -5.135 3.062 -3.408 1.00 . A A . 12 PHE HD1 1 1
4 828 1 1 12 PHE HD2 H -3.562 -0.634 -2.006 1.00 . A A . 12 PHE HD2 1 1
4 829 1 1 12 PHE HE1 H -3.141 3.372 -4.808 1.00 . A A . 12 PHE HE1 1 1
4 830 1 1 12 PHE HE2 H -1.575 -0.324 -3.418 1.00 . A A . 12 PHE HE2 1 1
4 831 1 1 12 PHE HZ H -1.361 1.678 -4.812 1.00 . A A . 12 PHE HZ 1 1
4 832 1 1 12 PHE N N -4.490 1.649 0.267 1.00 . A A . 12 PHE N 1 1
4 833 1 1 12 PHE O O -6.914 0.574 1.071 1.00 . A A . 12 PHE O 1 1
4 834 1 1 13 PRO C C -9.763 1.079 1.336 1.00 . A A . 13 PRO C 1 1
4 835 1 1 13 PRO CA C -9.130 2.484 1.225 1.00 . A A . 13 PRO CA 1 1
4 836 1 1 13 PRO CB C -10.056 3.433 0.480 1.00 . A A . 13 PRO CB 1 1
4 837 1 1 13 PRO CD C -7.839 3.825 -0.357 1.00 . A A . 13 PRO CD 1 1
4 838 1 1 13 PRO CG C -9.152 4.496 -0.031 1.00 . A A . 13 PRO CG 1 1
4 839 1 1 13 PRO HA H -8.965 2.864 2.219 1.00 . A A . 13 PRO HA 1 1
4 840 1 1 13 PRO HB2 H -10.551 2.905 -0.322 1.00 . A A . 13 PRO HB2 1 1
4 841 1 1 13 PRO HB3 H -10.792 3.840 1.157 1.00 . A A . 13 PRO HB3 1 1
4 842 1 1 13 PRO HD2 H -7.768 3.628 -1.416 1.00 . A A . 13 PRO HD2 1 1
4 843 1 1 13 PRO HD3 H -7.015 4.445 -0.034 1.00 . A A . 13 PRO HD3 1 1
4 844 1 1 13 PRO HG2 H -9.575 4.937 -0.921 1.00 . A A . 13 PRO HG2 1 1
4 845 1 1 13 PRO HG3 H -9.010 5.251 0.728 1.00 . A A . 13 PRO HG3 1 1
4 846 1 1 13 PRO N N -7.878 2.558 0.417 1.00 . A A . 13 PRO N 1 1
4 847 1 1 13 PRO O O -10.366 0.741 2.377 1.00 . A A . 13 PRO O 1 1
4 848 1 1 14 ASP C C -9.557 -1.928 1.439 1.00 . A A . 14 ASP C 1 1
4 849 1 1 14 ASP CA C -10.060 -1.136 0.234 1.00 . A A . 14 ASP CA 1 1
4 850 1 1 14 ASP CB C -9.547 -1.810 -1.050 1.00 . A A . 14 ASP CB 1 1
4 851 1 1 14 ASP CG C -9.858 -3.303 -1.114 1.00 . A A . 14 ASP CG 1 1
4 852 1 1 14 ASP H H -9.183 0.663 -0.514 1.00 . A A . 14 ASP H 1 1
4 853 1 1 14 ASP HA H -11.138 -1.146 0.220 1.00 . A A . 14 ASP HA 1 1
4 854 1 1 14 ASP HB2 H -10.003 -1.335 -1.906 1.00 . A A . 14 ASP HB2 1 1
4 855 1 1 14 ASP HB3 H -8.477 -1.681 -1.108 1.00 . A A . 14 ASP HB3 1 1
4 856 1 1 14 ASP N N -9.608 0.274 0.281 1.00 . A A . 14 ASP N 1 1
4 857 1 1 14 ASP O O -10.228 -2.836 1.928 1.00 . A A . 14 ASP O 1 1
4 858 1 1 14 ASP OD1 O -9.017 -4.129 -0.679 1.00 . A A . 14 ASP OD1 1 1
4 859 1 1 14 ASP OD2 O -10.935 -3.678 -1.604 1.00 . A A . 14 ASP OD2 1 1
4 860 2 2 1 . C C -1.705 -0.617 3.511 1.00 . B A . 101 WMH C 1 1
4 861 2 2 1 . C1 C -1.394 1.745 3.692 1.00 . B A . 101 WMH C1 1 1
4 862 2 2 1 . C2 C -0.432 2.574 4.175 1.00 . B A . 101 WMH C2 1 1
4 863 2 2 1 . H1 H -2.294 -0.976 4.338 1.00 . B A . 101 WMH H1 1 1
4 864 2 2 1 . H2 H -2.417 -0.266 2.783 1.00 . B A . 101 WMH H2 1 1
4 865 2 2 1 . H5 H -0.442 3.653 4.137 1.00 . B A . 101 WMH H5 1 1
4 866 2 2 1 . N N -1.012 0.517 3.915 1.00 . B A . 101 WMH N 1 1
4 867 2 2 1 . N1 N 0.533 1.821 4.703 1.00 . B A . 101 WMH N1 1 1
4 868 2 2 1 . N2 N 0.224 0.572 4.571 1.00 . B A . 101 WMH N2 1 1
5 869 1 1 1 GLY C C -6.523 -3.322 1.430 1.00 . A A . 1 GLY C 1 1
5 870 1 1 1 GLY CA C -7.804 -3.027 2.176 1.00 . A A . 1 GLY CA 1 1
5 871 1 1 1 GLY H1 H -8.140 -1.017 1.623 1.00 . A A . 1 GLY H1 1 1
5 872 1 1 1 GLY HA2 H -7.576 -2.779 3.202 1.00 . A A . 1 GLY HA2 1 1
5 873 1 1 1 GLY HA3 H -8.431 -3.907 2.154 1.00 . A A . 1 GLY HA3 1 1
5 874 1 1 1 GLY N N -8.514 -1.924 1.568 1.00 . A A . 1 GLY N 1 1
5 875 1 1 1 GLY O O -5.979 -4.431 1.494 1.00 . A A . 1 GLY O 1 1
5 876 1 1 2 ARG C C -3.710 -1.766 0.589 1.00 . A A . 2 ARG C 1 1
5 877 1 1 2 ARG CA C -4.839 -2.491 -0.073 1.00 . A A . 2 ARG CA 1 1
5 878 1 1 2 ARG CB C -5.016 -1.878 -1.450 1.00 . A A . 2 ARG CB 1 1
5 879 1 1 2 ARG CD C -6.297 -1.581 -3.531 1.00 . A A . 2 ARG CD 1 1
5 880 1 1 2 ARG CG C -6.214 -2.339 -2.229 1.00 . A A . 2 ARG CG 1 1
5 881 1 1 2 ARG CZ C -8.179 -0.930 -4.990 1.00 . A A . 2 ARG CZ 1 1
5 882 1 1 2 ARG H H -6.450 -1.449 0.785 1.00 . A A . 2 ARG H 1 1
5 883 1 1 2 ARG HA H -4.606 -3.538 -0.177 1.00 . A A . 2 ARG HA 1 1
5 884 1 1 2 ARG HB2 H -5.094 -0.809 -1.327 1.00 . A A . 2 ARG HB2 1 1
5 885 1 1 2 ARG HB3 H -4.128 -2.090 -2.028 1.00 . A A . 2 ARG HB3 1 1
5 886 1 1 2 ARG HD2 H -6.210 -0.524 -3.325 1.00 . A A . 2 ARG HD2 1 1
5 887 1 1 2 ARG HD3 H -5.479 -1.889 -4.165 1.00 . A A . 2 ARG HD3 1 1
5 888 1 1 2 ARG HE H -7.932 -2.722 -4.093 1.00 . A A . 2 ARG HE 1 1
5 889 1 1 2 ARG HG2 H -6.114 -3.394 -2.437 1.00 . A A . 2 ARG HG2 1 1
5 890 1 1 2 ARG HG3 H -7.109 -2.157 -1.653 1.00 . A A . 2 ARG HG3 1 1
5 891 1 1 2 ARG HH11 H -6.765 0.539 -4.800 1.00 . A A . 2 ARG HH11 1 1
5 892 1 1 2 ARG HH12 H -8.090 0.970 -5.778 1.00 . A A . 2 ARG HH12 1 1
5 893 1 1 2 ARG HH21 H -9.770 -2.141 -5.403 1.00 . A A . 2 ARG HH21 1 1
5 894 1 1 2 ARG HH22 H -9.860 -0.599 -6.109 1.00 . A A . 2 ARG HH22 1 1
5 895 1 1 2 ARG N N -6.031 -2.331 0.727 1.00 . A A . 2 ARG N 1 1
5 896 1 1 2 ARG NE N -7.548 -1.822 -4.225 1.00 . A A . 2 ARG NE 1 1
5 897 1 1 2 ARG NH1 N -7.643 0.277 -5.204 1.00 . A A . 2 ARG NH1 1 1
5 898 1 1 2 ARG NH2 N -9.340 -1.242 -5.542 1.00 . A A . 2 ARG NH2 1 1
5 899 1 1 2 ARG O O -3.854 -0.603 0.935 1.00 . A A . 2 ARG O 1 1
5 900 1 1 3 ALA C C -0.242 -2.603 0.711 1.00 . A A . 3 ALA C 1 1
5 901 1 1 3 ALA CA C -1.405 -1.877 1.303 1.00 . A A . 3 ALA CA 1 1
5 902 1 1 3 ALA CB C -1.376 -1.917 2.845 1.00 . A A . 3 ALA CB 1 1
5 903 1 1 3 ALA H H -2.611 -3.403 0.557 1.00 . A A . 3 ALA H 1 1
5 904 1 1 3 ALA HA H -1.361 -0.850 0.973 1.00 . A A . 3 ALA HA 1 1
5 905 1 1 3 ALA HB2 H -0.351 -2.032 3.165 1.00 . A A . 3 ALA HB2 1 1
5 906 1 1 3 ALA HB3 H -1.949 -2.766 3.186 1.00 . A A . 3 ALA HB3 1 1
5 907 1 1 3 ALA N N -2.627 -2.445 0.777 1.00 . A A . 3 ALA N 1 1
5 908 1 1 3 ALA O O -0.242 -3.834 0.650 1.00 . A A . 3 ALA O 1 1
5 909 1 1 4 THR C C 2.976 -2.764 0.638 1.00 . A A . 4 THR C 1 1
5 910 1 1 4 THR CA C 1.867 -2.475 -0.368 1.00 . A A . 4 THR CA 1 1
5 911 1 1 4 THR CB C 2.386 -1.630 -1.548 1.00 . A A . 4 THR CB 1 1
5 912 1 1 4 THR CG2 C 1.437 -1.710 -2.734 1.00 . A A . 4 THR CG2 1 1
5 913 1 1 4 THR H H 0.686 -0.892 0.289 1.00 . A A . 4 THR H 1 1
5 914 1 1 4 THR HA H 1.522 -3.418 -0.761 1.00 . A A . 4 THR HA 1 1
5 915 1 1 4 THR HB H 3.349 -2.015 -1.844 1.00 . A A . 4 THR HB 1 1
5 916 1 1 4 THR HG1 H 3.130 0.117 -1.825 1.00 . A A . 4 THR HG1 1 1
5 917 1 1 4 THR HG21 H 1.820 -1.105 -3.542 1.00 . A A . 4 THR HG21 1 1
5 918 1 1 4 THR HG22 H 0.464 -1.345 -2.440 1.00 . A A . 4 THR HG22 1 1
5 919 1 1 4 THR HG23 H 1.351 -2.735 -3.062 1.00 . A A . 4 THR HG23 1 1
5 920 1 1 4 THR N N 0.728 -1.873 0.248 1.00 . A A . 4 THR N 1 1
5 921 1 1 4 THR O O 2.979 -2.233 1.765 1.00 . A A . 4 THR O 1 1
5 922 1 1 4 THR OG1 O 2.549 -0.262 -1.149 1.00 . A A . 4 THR OG1 1 1
5 923 1 1 5 LYS C C 6.270 -3.278 0.626 1.00 . A A . 5 LYS C 1 1
5 924 1 1 5 LYS CA C 5.011 -3.999 1.092 1.00 . A A . 5 LYS CA 1 1
5 925 1 1 5 LYS CB C 5.200 -5.519 1.075 1.00 . A A . 5 LYS CB 1 1
5 926 1 1 5 LYS CD C 5.468 -7.645 -0.332 1.00 . A A . 5 LYS CD 1 1
5 927 1 1 5 LYS CE C 6.679 -8.287 0.379 1.00 . A A . 5 LYS CE 1 1
5 928 1 1 5 LYS CG C 5.448 -6.105 -0.306 1.00 . A A . 5 LYS CG 1 1
5 929 1 1 5 LYS H H 3.805 -4.048 -0.633 1.00 . A A . 5 LYS H 1 1
5 930 1 1 5 LYS HA H 4.781 -3.685 2.098 1.00 . A A . 5 LYS HA 1 1
5 931 1 1 5 LYS HB2 H 6.043 -5.760 1.702 1.00 . A A . 5 LYS HB2 1 1
5 932 1 1 5 LYS HB3 H 4.313 -5.979 1.485 1.00 . A A . 5 LYS HB3 1 1
5 933 1 1 5 LYS HD2 H 4.569 -8.008 0.145 1.00 . A A . 5 LYS HD2 1 1
5 934 1 1 5 LYS HD3 H 5.463 -7.949 -1.367 1.00 . A A . 5 LYS HD3 1 1
5 935 1 1 5 LYS HE2 H 6.719 -9.333 0.112 1.00 . A A . 5 LYS HE2 1 1
5 936 1 1 5 LYS HE3 H 7.577 -7.803 0.023 1.00 . A A . 5 LYS HE3 1 1
5 937 1 1 5 LYS HG2 H 4.666 -5.767 -0.969 1.00 . A A . 5 LYS HG2 1 1
5 938 1 1 5 LYS HG3 H 6.398 -5.737 -0.664 1.00 . A A . 5 LYS HG3 1 1
5 939 1 1 5 LYS HZ1 H 5.743 -8.571 2.233 1.00 . A A . 5 LYS HZ1 1 1
5 940 1 1 5 LYS HZ2 H 6.757 -7.225 2.213 1.00 . A A . 5 LYS HZ2 1 1
5 941 1 1 5 LYS HZ3 H 7.400 -8.757 2.274 1.00 . A A . 5 LYS HZ3 1 1
5 942 1 1 5 LYS N N 3.886 -3.630 0.252 1.00 . A A . 5 LYS N 1 1
5 943 1 1 5 LYS NZ N 6.635 -8.190 1.855 1.00 . A A . 5 LYS NZ 1 1
5 944 1 1 5 LYS O O 7.354 -3.429 1.195 1.00 . A A . 5 LYS O 1 1
5 945 1 1 6 SER C C 7.262 -0.361 -0.277 1.00 . A A . 6 SER C 1 1
5 946 1 1 6 SER CA C 7.151 -1.717 -0.969 1.00 . A A . 6 SER CA 1 1
5 947 1 1 6 SER CB C 6.849 -1.571 -2.453 1.00 . A A . 6 SER CB 1 1
5 948 1 1 6 SER H H 5.221 -2.370 -0.801 1.00 . A A . 6 SER H 1 1
5 949 1 1 6 SER HA H 8.080 -2.257 -0.859 1.00 . A A . 6 SER HA 1 1
5 950 1 1 6 SER HB2 H 7.363 -0.702 -2.836 1.00 . A A . 6 SER HB2 1 1
5 951 1 1 6 SER HB3 H 7.178 -2.450 -2.986 1.00 . A A . 6 SER HB3 1 1
5 952 1 1 6 SER HG H 5.309 -0.632 -3.215 1.00 . A A . 6 SER HG 1 1
5 953 1 1 6 SER N N 6.104 -2.484 -0.393 1.00 . A A . 6 SER N 1 1
5 954 1 1 6 SER O O 6.367 0.036 0.476 1.00 . A A . 6 SER O 1 1
5 955 1 1 6 SER OG O 5.439 -1.407 -2.651 1.00 . A A . 6 SER OG 1 1
5 956 1 1 7 ILE C C 8.690 2.607 -1.100 1.00 . A A . 7 ILE C 1 1
5 957 1 1 7 ILE CA C 8.593 1.622 0.070 1.00 . A A . 7 ILE CA 1 1
5 958 1 1 7 ILE CB C 9.930 1.659 0.878 1.00 . A A . 7 ILE CB 1 1
5 959 1 1 7 ILE CD1 C 11.258 0.440 2.706 1.00 . A A . 7 ILE CD1 1 1
5 960 1 1 7 ILE CG1 C 9.949 0.552 1.946 1.00 . A A . 7 ILE CG1 1 1
5 961 1 1 7 ILE CG2 C 10.123 3.027 1.536 1.00 . A A . 7 ILE CG2 1 1
5 962 1 1 7 ILE H H 9.069 -0.082 -1.047 1.00 . A A . 7 ILE H 1 1
5 963 1 1 7 ILE HA H 7.765 1.874 0.716 1.00 . A A . 7 ILE HA 1 1
5 964 1 1 7 ILE HB H 10.744 1.494 0.189 1.00 . A A . 7 ILE HB 1 1
5 965 1 1 7 ILE HD11 H 11.462 1.372 3.212 1.00 . A A . 7 ILE HD11 1 1
5 966 1 1 7 ILE HD12 H 12.059 0.226 2.012 1.00 . A A . 7 ILE HD12 1 1
5 967 1 1 7 ILE HD13 H 11.187 -0.358 3.430 1.00 . A A . 7 ILE HD13 1 1
5 968 1 1 7 ILE HG12 H 9.171 0.752 2.668 1.00 . A A . 7 ILE HG12 1 1
5 969 1 1 7 ILE HG13 H 9.753 -0.396 1.470 1.00 . A A . 7 ILE HG13 1 1
5 970 1 1 7 ILE HG21 H 10.122 3.797 0.780 1.00 . A A . 7 ILE HG21 1 1
5 971 1 1 7 ILE HG22 H 11.066 3.041 2.063 1.00 . A A . 7 ILE HG22 1 1
5 972 1 1 7 ILE HG23 H 9.320 3.203 2.233 1.00 . A A . 7 ILE HG23 1 1
5 973 1 1 7 ILE N N 8.362 0.311 -0.489 1.00 . A A . 7 ILE N 1 1
5 974 1 1 7 ILE O O 9.469 2.371 -2.025 1.00 . A A . 7 ILE O 1 1
5 975 1 1 8 PRO C C 5.638 3.195 -0.282 1.00 . A A . 8 PRO C 1 1
5 976 1 1 8 PRO CA C 6.923 4.007 -0.098 1.00 . A A . 8 PRO CA 1 1
5 977 1 1 8 PRO CB C 6.650 5.491 -0.326 1.00 . A A . 8 PRO CB 1 1
5 978 1 1 8 PRO CD C 7.933 4.717 -2.189 1.00 . A A . 8 PRO CD 1 1
5 979 1 1 8 PRO CG C 6.869 5.698 -1.778 1.00 . A A . 8 PRO CG 1 1
5 980 1 1 8 PRO HA H 7.318 3.854 0.896 1.00 . A A . 8 PRO HA 1 1
5 981 1 1 8 PRO HB2 H 5.634 5.718 -0.045 1.00 . A A . 8 PRO HB2 1 1
5 982 1 1 8 PRO HB3 H 7.336 6.080 0.263 1.00 . A A . 8 PRO HB3 1 1
5 983 1 1 8 PRO HD2 H 7.692 4.280 -3.148 1.00 . A A . 8 PRO HD2 1 1
5 984 1 1 8 PRO HD3 H 8.898 5.201 -2.230 1.00 . A A . 8 PRO HD3 1 1
5 985 1 1 8 PRO HG2 H 5.951 5.502 -2.315 1.00 . A A . 8 PRO HG2 1 1
5 986 1 1 8 PRO HG3 H 7.199 6.710 -1.955 1.00 . A A . 8 PRO HG3 1 1
5 987 1 1 8 PRO N N 7.907 3.692 -1.126 1.00 . A A . 8 PRO N 1 1
5 988 1 1 8 PRO O O 5.224 2.913 -1.417 1.00 . A A . 8 PRO O 1 1
5 989 1 1 9 PRO C C 2.575 2.841 0.451 1.00 . A A . 9 PRO C 1 1
5 990 1 1 9 PRO CA C 3.806 1.994 0.751 1.00 . A A . 9 PRO CA 1 1
5 991 1 1 9 PRO CB C 3.712 1.379 2.141 1.00 . A A . 9 PRO CB 1 1
5 992 1 1 9 PRO CD C 5.452 3.023 2.206 1.00 . A A . 9 PRO CD 1 1
5 993 1 1 9 PRO CG C 4.390 2.356 3.036 1.00 . A A . 9 PRO CG 1 1
5 994 1 1 9 PRO HA H 3.883 1.209 0.014 1.00 . A A . 9 PRO HA 1 1
5 995 1 1 9 PRO HB2 H 2.674 1.241 2.409 1.00 . A A . 9 PRO HB2 1 1
5 996 1 1 9 PRO HB3 H 4.221 0.427 2.141 1.00 . A A . 9 PRO HB3 1 1
5 997 1 1 9 PRO HD2 H 5.491 4.081 2.419 1.00 . A A . 9 PRO HD2 1 1
5 998 1 1 9 PRO HD3 H 6.412 2.564 2.392 1.00 . A A . 9 PRO HD3 1 1
5 999 1 1 9 PRO HG2 H 3.676 3.088 3.385 1.00 . A A . 9 PRO HG2 1 1
5 1000 1 1 9 PRO HG3 H 4.838 1.843 3.873 1.00 . A A . 9 PRO HG3 1 1
5 1001 1 1 9 PRO N N 5.014 2.781 0.812 1.00 . A A . 9 PRO N 1 1
5 1002 1 1 9 PRO O O 2.413 3.969 0.975 1.00 . A A . 9 PRO O 1 1
5 1003 1 1 10 ILE C C -0.611 2.182 -0.093 1.00 . A A . 10 ILE C 1 1
5 1004 1 1 10 ILE CA C 0.505 2.971 -0.723 1.00 . A A . 10 ILE CA 1 1
5 1005 1 1 10 ILE CB C 0.291 3.118 -2.261 1.00 . A A . 10 ILE CB 1 1
5 1006 1 1 10 ILE CD1 C 0.133 1.815 -4.472 1.00 . A A . 10 ILE CD1 1 1
5 1007 1 1 10 ILE CG1 C 0.364 1.753 -2.975 1.00 . A A . 10 ILE CG1 1 1
5 1008 1 1 10 ILE CG2 C 1.306 4.097 -2.845 1.00 . A A . 10 ILE CG2 1 1
5 1009 1 1 10 ILE H H 1.929 1.455 -0.802 1.00 . A A . 10 ILE H 1 1
5 1010 1 1 10 ILE HA H 0.526 3.950 -0.270 1.00 . A A . 10 ILE HA 1 1
5 1011 1 1 10 ILE HB H -0.693 3.540 -2.406 1.00 . A A . 10 ILE HB 1 1
5 1012 1 1 10 ILE HD11 H 0.892 2.441 -4.919 1.00 . A A . 10 ILE HD11 1 1
5 1013 1 1 10 ILE HD12 H -0.839 2.239 -4.674 1.00 . A A . 10 ILE HD12 1 1
5 1014 1 1 10 ILE HD13 H 0.192 0.821 -4.892 1.00 . A A . 10 ILE HD13 1 1
5 1015 1 1 10 ILE HG12 H 1.340 1.323 -2.813 1.00 . A A . 10 ILE HG12 1 1
5 1016 1 1 10 ILE HG13 H -0.381 1.097 -2.549 1.00 . A A . 10 ILE HG13 1 1
5 1017 1 1 10 ILE HG21 H 1.183 5.066 -2.383 1.00 . A A . 10 ILE HG21 1 1
5 1018 1 1 10 ILE HG22 H 1.150 4.185 -3.910 1.00 . A A . 10 ILE HG22 1 1
5 1019 1 1 10 ILE HG23 H 2.306 3.733 -2.656 1.00 . A A . 10 ILE HG23 1 1
5 1020 1 1 10 ILE N N 1.736 2.328 -0.393 1.00 . A A . 10 ILE N 1 1
5 1021 1 1 10 ILE O O -0.584 0.937 -0.099 1.00 . A A . 10 ILE O 1 1
5 1022 1 1 11 ALA C C -3.919 2.781 0.744 1.00 . A A . 11 ALA C 1 1
5 1023 1 1 11 ALA CA C -2.618 2.197 1.174 1.00 . A A . 11 ALA CA 1 1
5 1024 1 1 11 ALA CB C -2.507 2.195 2.714 1.00 . A A . 11 ALA CB 1 1
5 1025 1 1 11 ALA H H -1.533 3.847 0.517 1.00 . A A . 11 ALA H 1 1
5 1026 1 1 11 ALA HA H -2.596 1.168 0.839 1.00 . A A . 11 ALA HA 1 1
5 1027 1 1 11 ALA HB1 H -3.305 1.584 3.107 1.00 . A A . 11 ALA HB1 1 1
5 1028 1 1 11 ALA HB2 H -2.616 3.175 3.142 1.00 . A A . 11 ALA HB2 1 1
5 1029 1 1 11 ALA N N -1.539 2.866 0.521 1.00 . A A . 11 ALA N 1 1
5 1030 1 1 11 ALA O O -4.017 3.979 0.461 1.00 . A A . 11 ALA O 1 1
5 1031 1 1 12 PHE C C -7.156 1.658 1.210 1.00 . A A . 12 PHE C 1 1
5 1032 1 1 12 PHE CA C -6.207 2.278 0.231 1.00 . A A . 12 PHE CA 1 1
5 1033 1 1 12 PHE CB C -6.501 1.710 -1.171 1.00 . A A . 12 PHE CB 1 1
5 1034 1 1 12 PHE CD1 C -4.349 1.595 -2.469 1.00 . A A . 12 PHE CD1 1 1
5 1035 1 1 12 PHE CD2 C -5.953 3.242 -3.067 1.00 . A A . 12 PHE CD2 1 1
5 1036 1 1 12 PHE CE1 C -3.515 2.038 -3.460 1.00 . A A . 12 PHE CE1 1 1
5 1037 1 1 12 PHE CE2 C -5.117 3.690 -4.064 1.00 . A A . 12 PHE CE2 1 1
5 1038 1 1 12 PHE CG C -5.582 2.194 -2.257 1.00 . A A . 12 PHE CG 1 1
5 1039 1 1 12 PHE CZ C -3.897 3.085 -4.258 1.00 . A A . 12 PHE CZ 1 1
5 1040 1 1 12 PHE H H -4.703 1.002 0.908 1.00 . A A . 12 PHE H 1 1
5 1041 1 1 12 PHE HA H -6.308 3.352 0.218 1.00 . A A . 12 PHE HA 1 1
5 1042 1 1 12 PHE HB2 H -6.442 0.634 -1.136 1.00 . A A . 12 PHE HB2 1 1
5 1043 1 1 12 PHE HB3 H -7.510 1.985 -1.443 1.00 . A A . 12 PHE HB3 1 1
5 1044 1 1 12 PHE HD1 H -4.032 0.774 -1.846 1.00 . A A . 12 PHE HD1 1 1
5 1045 1 1 12 PHE HD2 H -6.912 3.718 -2.915 1.00 . A A . 12 PHE HD2 1 1
5 1046 1 1 12 PHE HE1 H -2.558 1.561 -3.612 1.00 . A A . 12 PHE HE1 1 1
5 1047 1 1 12 PHE HE2 H -5.417 4.516 -4.693 1.00 . A A . 12 PHE HE2 1 1
5 1048 1 1 12 PHE HZ H -3.237 3.436 -5.037 1.00 . A A . 12 PHE HZ 1 1
5 1049 1 1 12 PHE N N -4.887 1.937 0.656 1.00 . A A . 12 PHE N 1 1
5 1050 1 1 12 PHE O O -7.005 0.464 1.520 1.00 . A A . 12 PHE O 1 1
5 1051 1 1 13 PRO C C -9.985 0.734 2.171 1.00 . A A . 13 PRO C 1 1
5 1052 1 1 13 PRO CA C -9.143 1.925 2.701 1.00 . A A . 13 PRO CA 1 1
5 1053 1 1 13 PRO CB C -10.032 3.141 2.999 1.00 . A A . 13 PRO CB 1 1
5 1054 1 1 13 PRO CD C -8.349 3.859 1.430 1.00 . A A . 13 PRO CD 1 1
5 1055 1 1 13 PRO CG C -9.740 4.137 1.925 1.00 . A A . 13 PRO CG 1 1
5 1056 1 1 13 PRO HA H -8.645 1.606 3.603 1.00 . A A . 13 PRO HA 1 1
5 1057 1 1 13 PRO HB2 H -11.069 2.838 2.982 1.00 . A A . 13 PRO HB2 1 1
5 1058 1 1 13 PRO HB3 H -9.789 3.533 3.975 1.00 . A A . 13 PRO HB3 1 1
5 1059 1 1 13 PRO HD2 H -8.291 4.043 0.368 1.00 . A A . 13 PRO HD2 1 1
5 1060 1 1 13 PRO HD3 H -7.632 4.471 1.961 1.00 . A A . 13 PRO HD3 1 1
5 1061 1 1 13 PRO HG2 H -10.451 4.028 1.123 1.00 . A A . 13 PRO HG2 1 1
5 1062 1 1 13 PRO HG3 H -9.800 5.136 2.333 1.00 . A A . 13 PRO HG3 1 1
5 1063 1 1 13 PRO N N -8.142 2.427 1.729 1.00 . A A . 13 PRO N 1 1
5 1064 1 1 13 PRO O O -10.868 0.219 2.859 1.00 . A A . 13 PRO O 1 1
5 1065 1 1 14 ASP C C -9.673 -2.106 0.954 1.00 . A A . 14 ASP C 1 1
5 1066 1 1 14 ASP CA C -10.288 -0.859 0.318 1.00 . A A . 14 ASP CA 1 1
5 1067 1 1 14 ASP CB C -9.961 -0.885 -1.185 1.00 . A A . 14 ASP CB 1 1
5 1068 1 1 14 ASP CG C -10.466 0.309 -1.940 1.00 . A A . 14 ASP CG 1 1
5 1069 1 1 14 ASP H H -9.095 0.889 0.418 1.00 . A A . 14 ASP H 1 1
5 1070 1 1 14 ASP HA H -11.359 -0.855 0.453 1.00 . A A . 14 ASP HA 1 1
5 1071 1 1 14 ASP HB2 H -8.890 -0.930 -1.311 1.00 . A A . 14 ASP HB2 1 1
5 1072 1 1 14 ASP HB3 H -10.402 -1.773 -1.613 1.00 . A A . 14 ASP HB3 1 1
5 1073 1 1 14 ASP N N -9.710 0.330 0.940 1.00 . A A . 14 ASP N 1 1
5 1074 1 1 14 ASP O O -10.238 -3.200 0.895 1.00 . A A . 14 ASP O 1 1
5 1075 1 1 14 ASP OD1 O -11.547 0.233 -2.555 1.00 . A A . 14 ASP OD1 1 1
5 1076 1 1 14 ASP OD2 O -9.802 1.366 -1.913 1.00 . A A . 14 ASP OD2 1 1
5 1077 2 2 1 . C C -1.939 -0.663 3.497 1.00 . B A . 101 WMH C 1 1
5 1078 2 2 1 . C1 C -1.220 1.637 3.246 1.00 . B A . 101 WMH C1 1 1
5 1079 2 2 1 . C2 C -0.059 2.312 3.427 1.00 . B A . 101 WMH C2 1 1
5 1080 2 2 1 . H1 H -2.390 -0.786 4.464 1.00 . B A . 101 WMH H1 1 1
5 1081 2 2 1 . H2 H -2.720 -0.312 2.840 1.00 . B A . 101 WMH H2 1 1
5 1082 2 2 1 . H5 H 0.095 3.366 3.251 1.00 . B A . 101 WMH H5 1 1
5 1083 2 2 1 . N N -1.009 0.376 3.559 1.00 . B A . 101 WMH N 1 1
5 1084 2 2 1 . N1 N 0.856 1.447 3.859 1.00 . B A . 101 WMH N1 1 1
5 1085 2 2 1 . N2 N 0.327 0.271 3.950 1.00 . B A . 101 WMH N2 1 1
6 1086 1 1 1 GLY C C -6.822 -3.359 0.923 1.00 . A A . 1 GLY C 1 1
6 1087 1 1 1 GLY CA C -7.842 -2.975 1.953 1.00 . A A . 1 GLY CA 1 1
6 1088 1 1 1 GLY H1 H -8.280 -0.947 1.592 1.00 . A A . 1 GLY H1 1 1
6 1089 1 1 1 GLY HA2 H -7.340 -2.713 2.873 1.00 . A A . 1 GLY HA2 1 1
6 1090 1 1 1 GLY HA3 H -8.491 -3.817 2.133 1.00 . A A . 1 GLY HA3 1 1
6 1091 1 1 1 GLY N N -8.637 -1.861 1.517 1.00 . A A . 1 GLY N 1 1
6 1092 1 1 1 GLY O O -6.939 -4.406 0.286 1.00 . A A . 1 GLY O 1 1
6 1093 1 1 2 ARG C C -3.577 -1.920 0.231 1.00 . A A . 2 ARG C 1 1
6 1094 1 1 2 ARG CA C -4.789 -2.725 -0.214 1.00 . A A . 2 ARG CA 1 1
6 1095 1 1 2 ARG CB C -5.268 -2.281 -1.595 1.00 . A A . 2 ARG CB 1 1
6 1096 1 1 2 ARG CD C -4.844 -1.768 -3.968 1.00 . A A . 2 ARG CD 1 1
6 1097 1 1 2 ARG CG C -4.246 -2.358 -2.711 1.00 . A A . 2 ARG CG 1 1
6 1098 1 1 2 ARG CZ C -4.168 -1.072 -6.244 1.00 . A A . 2 ARG CZ 1 1
6 1099 1 1 2 ARG H H -5.806 -1.703 1.298 1.00 . A A . 2 ARG H 1 1
6 1100 1 1 2 ARG HA H -4.539 -3.776 -0.233 1.00 . A A . 2 ARG HA 1 1
6 1101 1 1 2 ARG HB2 H -6.108 -2.896 -1.881 1.00 . A A . 2 ARG HB2 1 1
6 1102 1 1 2 ARG HB3 H -5.607 -1.262 -1.525 1.00 . A A . 2 ARG HB3 1 1
6 1103 1 1 2 ARG HD2 H -5.692 -2.365 -4.271 1.00 . A A . 2 ARG HD2 1 1
6 1104 1 1 2 ARG HD3 H -5.182 -0.769 -3.734 1.00 . A A . 2 ARG HD3 1 1
6 1105 1 1 2 ARG HE H -3.037 -2.135 -4.920 1.00 . A A . 2 ARG HE 1 1
6 1106 1 1 2 ARG HG2 H -3.366 -1.799 -2.430 1.00 . A A . 2 ARG HG2 1 1
6 1107 1 1 2 ARG HG3 H -3.988 -3.391 -2.893 1.00 . A A . 2 ARG HG3 1 1
6 1108 1 1 2 ARG HH11 H -6.043 -0.429 -5.707 1.00 . A A . 2 ARG HH11 1 1
6 1109 1 1 2 ARG HH12 H -5.587 0.015 -7.275 1.00 . A A . 2 ARG HH12 1 1
6 1110 1 1 2 ARG HH21 H -2.358 -1.491 -7.104 1.00 . A A . 2 ARG HH21 1 1
6 1111 1 1 2 ARG HH22 H -3.442 -0.636 -8.106 1.00 . A A . 2 ARG HH22 1 1
6 1112 1 1 2 ARG N N -5.845 -2.516 0.747 1.00 . A A . 2 ARG N 1 1
6 1113 1 1 2 ARG NE N -3.903 -1.689 -5.080 1.00 . A A . 2 ARG NE 1 1
6 1114 1 1 2 ARG NH1 N -5.338 -0.456 -6.422 1.00 . A A . 2 ARG NH1 1 1
6 1115 1 1 2 ARG NH2 N -3.258 -1.060 -7.214 1.00 . A A . 2 ARG NH2 1 1
6 1116 1 1 2 ARG O O -3.649 -0.703 0.337 1.00 . A A . 2 ARG O 1 1
6 1117 1 1 3 ALA C C -0.096 -2.609 0.330 1.00 . A A . 3 ALA C 1 1
6 1118 1 1 3 ALA CA C -1.285 -1.997 1.011 1.00 . A A . 3 ALA CA 1 1
6 1119 1 1 3 ALA CB C -1.177 -2.176 2.536 1.00 . A A . 3 ALA CB 1 1
6 1120 1 1 3 ALA H H -2.512 -3.579 0.427 1.00 . A A . 3 ALA H 1 1
6 1121 1 1 3 ALA HA H -1.317 -0.941 0.792 1.00 . A A . 3 ALA HA 1 1
6 1122 1 1 3 ALA HB2 H -0.131 -2.242 2.800 1.00 . A A . 3 ALA HB2 1 1
6 1123 1 1 3 ALA HB3 H -1.663 -3.098 2.814 1.00 . A A . 3 ALA HB3 1 1
6 1124 1 1 3 ALA N N -2.510 -2.604 0.529 1.00 . A A . 3 ALA N 1 1
6 1125 1 1 3 ALA O O -0.091 -3.811 0.037 1.00 . A A . 3 ALA O 1 1
6 1126 1 1 4 THR C C 3.120 -2.396 0.593 1.00 . A A . 4 THR C 1 1
6 1127 1 1 4 THR CA C 2.094 -2.262 -0.521 1.00 . A A . 4 THR CA 1 1
6 1128 1 1 4 THR CB C 2.606 -1.314 -1.636 1.00 . A A . 4 THR CB 1 1
6 1129 1 1 4 THR CG2 C 1.743 -1.426 -2.884 1.00 . A A . 4 THR CG2 1 1
6 1130 1 1 4 THR H H 0.826 -0.826 0.175 1.00 . A A . 4 THR H 1 1
6 1131 1 1 4 THR HA H 1.910 -3.237 -0.947 1.00 . A A . 4 THR HA 1 1
6 1132 1 1 4 THR HB H 3.619 -1.594 -1.882 1.00 . A A . 4 THR HB 1 1
6 1133 1 1 4 THR HG1 H 3.257 0.510 -1.712 1.00 . A A . 4 THR HG1 1 1
6 1134 1 1 4 THR HG21 H 2.110 -0.746 -3.640 1.00 . A A . 4 THR HG21 1 1
6 1135 1 1 4 THR HG22 H 0.721 -1.178 -2.641 1.00 . A A . 4 THR HG22 1 1
6 1136 1 1 4 THR HG23 H 1.788 -2.438 -3.259 1.00 . A A . 4 THR HG23 1 1
6 1137 1 1 4 THR N N 0.880 -1.796 0.032 1.00 . A A . 4 THR N 1 1
6 1138 1 1 4 THR O O 3.135 -1.598 1.541 1.00 . A A . 4 THR O 1 1
6 1139 1 1 4 THR OG1 O 2.600 0.049 -1.173 1.00 . A A . 4 THR OG1 1 1
6 1140 1 1 5 LYS C C 6.237 -2.987 1.056 1.00 . A A . 5 LYS C 1 1
6 1141 1 1 5 LYS CA C 4.953 -3.692 1.488 1.00 . A A . 5 LYS CA 1 1
6 1142 1 1 5 LYS CB C 5.159 -5.216 1.582 1.00 . A A . 5 LYS CB 1 1
6 1143 1 1 5 LYS CD C 6.242 -7.200 2.651 1.00 . A A . 5 LYS CD 1 1
6 1144 1 1 5 LYS CE C 7.250 -7.702 3.670 1.00 . A A . 5 LYS CE 1 1
6 1145 1 1 5 LYS CG C 6.182 -5.681 2.608 1.00 . A A . 5 LYS CG 1 1
6 1146 1 1 5 LYS H H 3.812 -4.039 -0.244 1.00 . A A . 5 LYS H 1 1
6 1147 1 1 5 LYS HA H 4.635 -3.315 2.447 1.00 . A A . 5 LYS HA 1 1
6 1148 1 1 5 LYS HB2 H 4.214 -5.674 1.830 1.00 . A A . 5 LYS HB2 1 1
6 1149 1 1 5 LYS HB3 H 5.467 -5.577 0.610 1.00 . A A . 5 LYS HB3 1 1
6 1150 1 1 5 LYS HD2 H 5.265 -7.581 2.908 1.00 . A A . 5 LYS HD2 1 1
6 1151 1 1 5 LYS HD3 H 6.521 -7.557 1.672 1.00 . A A . 5 LYS HD3 1 1
6 1152 1 1 5 LYS HE2 H 7.026 -7.247 4.624 1.00 . A A . 5 LYS HE2 1 1
6 1153 1 1 5 LYS HE3 H 7.157 -8.773 3.755 1.00 . A A . 5 LYS HE3 1 1
6 1154 1 1 5 LYS HG2 H 7.154 -5.296 2.335 1.00 . A A . 5 LYS HG2 1 1
6 1155 1 1 5 LYS HG3 H 5.901 -5.310 3.582 1.00 . A A . 5 LYS HG3 1 1
6 1156 1 1 5 LYS HZ1 H 8.931 -7.842 2.440 1.00 . A A . 5 LYS HZ1 1 1
6 1157 1 1 5 LYS HZ2 H 9.302 -7.657 4.062 1.00 . A A . 5 LYS HZ2 1 1
6 1158 1 1 5 LYS HZ3 H 8.772 -6.338 3.176 1.00 . A A . 5 LYS HZ3 1 1
6 1159 1 1 5 LYS N N 3.920 -3.423 0.512 1.00 . A A . 5 LYS N 1 1
6 1160 1 1 5 LYS NZ N 8.641 -7.359 3.316 1.00 . A A . 5 LYS NZ 1 1
6 1161 1 1 5 LYS O O 7.157 -2.773 1.848 1.00 . A A . 5 LYS O 1 1
6 1162 1 1 6 SER C C 7.287 -0.428 -0.561 1.00 . A A . 6 SER C 1 1
6 1163 1 1 6 SER CA C 7.409 -1.933 -0.757 1.00 . A A . 6 SER CA 1 1
6 1164 1 1 6 SER CB C 7.475 -2.267 -2.242 1.00 . A A . 6 SER CB 1 1
6 1165 1 1 6 SER H H 5.446 -2.686 -0.724 1.00 . A A . 6 SER H 1 1
6 1166 1 1 6 SER HA H 8.301 -2.298 -0.272 1.00 . A A . 6 SER HA 1 1
6 1167 1 1 6 SER HB2 H 6.647 -1.798 -2.753 1.00 . A A . 6 SER HB2 1 1
6 1168 1 1 6 SER HB3 H 8.406 -1.909 -2.654 1.00 . A A . 6 SER HB3 1 1
6 1169 1 1 6 SER HG H 7.496 -4.085 -1.564 1.00 . A A . 6 SER HG 1 1
6 1170 1 1 6 SER N N 6.261 -2.584 -0.184 1.00 . A A . 6 SER N 1 1
6 1171 1 1 6 SER O O 6.182 0.106 -0.593 1.00 . A A . 6 SER O 1 1
6 1172 1 1 6 SER OG O 7.397 -3.676 -2.430 1.00 . A A . 6 SER OG 1 1
6 1173 1 1 7 ILE C C 8.334 2.310 -1.563 1.00 . A A . 7 ILE C 1 1
6 1174 1 1 7 ILE CA C 8.432 1.672 -0.171 1.00 . A A . 7 ILE CA 1 1
6 1175 1 1 7 ILE CB C 9.754 2.134 0.534 1.00 . A A . 7 ILE CB 1 1
6 1176 1 1 7 ILE CD1 C 11.206 1.737 2.612 1.00 . A A . 7 ILE CD1 1 1
6 1177 1 1 7 ILE CG1 C 9.905 1.432 1.892 1.00 . A A . 7 ILE CG1 1 1
6 1178 1 1 7 ILE CG2 C 9.780 3.655 0.725 1.00 . A A . 7 ILE CG2 1 1
6 1179 1 1 7 ILE H H 9.257 -0.254 -0.295 1.00 . A A . 7 ILE H 1 1
6 1180 1 1 7 ILE HA H 7.579 1.959 0.423 1.00 . A A . 7 ILE HA 1 1
6 1181 1 1 7 ILE HB H 10.587 1.858 -0.094 1.00 . A A . 7 ILE HB 1 1
6 1182 1 1 7 ILE HD11 H 12.040 1.419 2.002 1.00 . A A . 7 ILE HD11 1 1
6 1183 1 1 7 ILE HD12 H 11.230 1.209 3.555 1.00 . A A . 7 ILE HD12 1 1
6 1184 1 1 7 ILE HD13 H 11.277 2.798 2.793 1.00 . A A . 7 ILE HD13 1 1
6 1185 1 1 7 ILE HG12 H 9.097 1.743 2.537 1.00 . A A . 7 ILE HG12 1 1
6 1186 1 1 7 ILE HG13 H 9.845 0.365 1.742 1.00 . A A . 7 ILE HG13 1 1
6 1187 1 1 7 ILE HG21 H 9.668 4.138 -0.234 1.00 . A A . 7 ILE HG21 1 1
6 1188 1 1 7 ILE HG22 H 10.724 3.943 1.162 1.00 . A A . 7 ILE HG22 1 1
6 1189 1 1 7 ILE HG23 H 8.976 3.952 1.382 1.00 . A A . 7 ILE HG23 1 1
6 1190 1 1 7 ILE N N 8.406 0.231 -0.334 1.00 . A A . 7 ILE N 1 1
6 1191 1 1 7 ILE O O 9.019 1.859 -2.488 1.00 . A A . 7 ILE O 1 1
6 1192 1 1 8 PRO C C 5.355 3.064 -0.452 1.00 . A A . 8 PRO C 1 1
6 1193 1 1 8 PRO CA C 6.624 3.896 -0.703 1.00 . A A . 8 PRO CA 1 1
6 1194 1 1 8 PRO CB C 6.255 5.268 -1.262 1.00 . A A . 8 PRO CB 1 1
6 1195 1 1 8 PRO CD C 7.290 4.023 -3.047 1.00 . A A . 8 PRO CD 1 1
6 1196 1 1 8 PRO CG C 6.276 5.098 -2.747 1.00 . A A . 8 PRO CG 1 1
6 1197 1 1 8 PRO HA H 7.166 4.017 0.222 1.00 . A A . 8 PRO HA 1 1
6 1198 1 1 8 PRO HB2 H 5.274 5.546 -0.909 1.00 . A A . 8 PRO HB2 1 1
6 1199 1 1 8 PRO HB3 H 6.981 5.999 -0.939 1.00 . A A . 8 PRO HB3 1 1
6 1200 1 1 8 PRO HD2 H 6.911 3.340 -3.792 1.00 . A A . 8 PRO HD2 1 1
6 1201 1 1 8 PRO HD3 H 8.218 4.463 -3.383 1.00 . A A . 8 PRO HD3 1 1
6 1202 1 1 8 PRO HG2 H 5.299 4.793 -3.090 1.00 . A A . 8 PRO HG2 1 1
6 1203 1 1 8 PRO HG3 H 6.562 6.027 -3.219 1.00 . A A . 8 PRO HG3 1 1
6 1204 1 1 8 PRO N N 7.479 3.331 -1.758 1.00 . A A . 8 PRO N 1 1
6 1205 1 1 8 PRO O O 4.674 2.646 -1.399 1.00 . A A . 8 PRO O 1 1
6 1206 1 1 9 PRO C C 2.592 2.890 0.970 1.00 . A A . 9 PRO C 1 1
6 1207 1 1 9 PRO CA C 3.843 2.036 1.150 1.00 . A A . 9 PRO CA 1 1
6 1208 1 1 9 PRO CB C 4.046 1.661 2.615 1.00 . A A . 9 PRO CB 1 1
6 1209 1 1 9 PRO CD C 5.784 3.198 2.023 1.00 . A A . 9 PRO CD 1 1
6 1210 1 1 9 PRO CG C 4.914 2.733 3.163 1.00 . A A . 9 PRO CG 1 1
6 1211 1 1 9 PRO HA H 3.759 1.147 0.542 1.00 . A A . 9 PRO HA 1 1
6 1212 1 1 9 PRO HB2 H 3.090 1.625 3.116 1.00 . A A . 9 PRO HB2 1 1
6 1213 1 1 9 PRO HB3 H 4.528 0.694 2.677 1.00 . A A . 9 PRO HB3 1 1
6 1214 1 1 9 PRO HD2 H 5.908 4.271 2.057 1.00 . A A . 9 PRO HD2 1 1
6 1215 1 1 9 PRO HD3 H 6.743 2.706 2.069 1.00 . A A . 9 PRO HD3 1 1
6 1216 1 1 9 PRO HG2 H 4.299 3.545 3.523 1.00 . A A . 9 PRO HG2 1 1
6 1217 1 1 9 PRO HG3 H 5.519 2.339 3.964 1.00 . A A . 9 PRO HG3 1 1
6 1218 1 1 9 PRO N N 5.030 2.790 0.817 1.00 . A A . 9 PRO N 1 1
6 1219 1 1 9 PRO O O 2.426 3.947 1.615 1.00 . A A . 9 PRO O 1 1
6 1220 1 1 10 ILE C C -0.597 2.279 0.261 1.00 . A A . 10 ILE C 1 1
6 1221 1 1 10 ILE CA C 0.533 3.157 -0.197 1.00 . A A . 10 ILE CA 1 1
6 1222 1 1 10 ILE CB C 0.374 3.540 -1.695 1.00 . A A . 10 ILE CB 1 1
6 1223 1 1 10 ILE CD1 C 0.383 2.585 -4.081 1.00 . A A . 10 ILE CD1 1 1
6 1224 1 1 10 ILE CG1 C 0.572 2.311 -2.608 1.00 . A A . 10 ILE CG1 1 1
6 1225 1 1 10 ILE CG2 C 1.345 4.658 -2.059 1.00 . A A . 10 ILE CG2 1 1
6 1226 1 1 10 ILE H H 1.978 1.670 -0.448 1.00 . A A . 10 ILE H 1 1
6 1227 1 1 10 ILE HA H 0.529 4.057 0.401 1.00 . A A . 10 ILE HA 1 1
6 1228 1 1 10 ILE HB H -0.628 3.920 -1.830 1.00 . A A . 10 ILE HB 1 1
6 1229 1 1 10 ILE HD11 H -0.625 2.936 -4.256 1.00 . A A . 10 ILE HD11 1 1
6 1230 1 1 10 ILE HD12 H 0.552 1.678 -4.641 1.00 . A A . 10 ILE HD12 1 1
6 1231 1 1 10 ILE HD13 H 1.085 3.341 -4.394 1.00 . A A . 10 ILE HD13 1 1
6 1232 1 1 10 ILE HG12 H 1.577 1.936 -2.475 1.00 . A A . 10 ILE HG12 1 1
6 1233 1 1 10 ILE HG13 H -0.128 1.543 -2.314 1.00 . A A . 10 ILE HG13 1 1
6 1234 1 1 10 ILE HG21 H 2.358 4.329 -1.874 1.00 . A A . 10 ILE HG21 1 1
6 1235 1 1 10 ILE HG22 H 1.136 5.532 -1.461 1.00 . A A . 10 ILE HG22 1 1
6 1236 1 1 10 ILE HG23 H 1.234 4.900 -3.106 1.00 . A A . 10 ILE HG23 1 1
6 1237 1 1 10 ILE N N 1.765 2.483 0.065 1.00 . A A . 10 ILE N 1 1
6 1238 1 1 10 ILE O O -0.607 1.064 -0.014 1.00 . A A . 10 ILE O 1 1
6 1239 1 1 11 ALA C C -3.901 2.646 1.125 1.00 . A A . 11 ALA C 1 1
6 1240 1 1 11 ALA CA C -2.585 2.070 1.530 1.00 . A A . 11 ALA CA 1 1
6 1241 1 1 11 ALA CB C -2.497 1.855 3.049 1.00 . A A . 11 ALA CB 1 1
6 1242 1 1 11 ALA H H -1.445 3.794 1.239 1.00 . A A . 11 ALA H 1 1
6 1243 1 1 11 ALA HA H -2.508 1.104 1.053 1.00 . A A . 11 ALA HA 1 1
6 1244 1 1 11 ALA HB1 H -3.274 1.165 3.343 1.00 . A A . 11 ALA HB1 1 1
6 1245 1 1 11 ALA HB2 H -2.646 2.769 3.596 1.00 . A A . 11 ALA HB2 1 1
6 1246 1 1 11 ALA N N -1.502 2.840 1.015 1.00 . A A . 11 ALA N 1 1
6 1247 1 1 11 ALA O O -4.137 3.858 1.235 1.00 . A A . 11 ALA O 1 1
6 1248 1 1 12 PHE C C -7.063 1.630 1.119 1.00 . A A . 12 PHE C 1 1
6 1249 1 1 12 PHE CA C -6.027 2.128 0.137 1.00 . A A . 12 PHE CA 1 1
6 1250 1 1 12 PHE CB C -6.269 1.475 -1.224 1.00 . A A . 12 PHE CB 1 1
6 1251 1 1 12 PHE CD1 C -5.622 2.689 -3.327 1.00 . A A . 12 PHE CD1 1 1
6 1252 1 1 12 PHE CD2 C -4.013 1.239 -2.345 1.00 . A A . 12 PHE CD2 1 1
6 1253 1 1 12 PHE CE1 C -4.737 2.979 -4.347 1.00 . A A . 12 PHE CE1 1 1
6 1254 1 1 12 PHE CE2 C -3.123 1.530 -3.355 1.00 . A A . 12 PHE CE2 1 1
6 1255 1 1 12 PHE CG C -5.276 1.817 -2.316 1.00 . A A . 12 PHE CG 1 1
6 1256 1 1 12 PHE CZ C -3.486 2.397 -4.361 1.00 . A A . 12 PHE CZ 1 1
6 1257 1 1 12 PHE H H -4.448 0.844 0.660 1.00 . A A . 12 PHE H 1 1
6 1258 1 1 12 PHE HA H -6.084 3.202 0.041 1.00 . A A . 12 PHE HA 1 1
6 1259 1 1 12 PHE HB2 H -6.273 0.407 -1.087 1.00 . A A . 12 PHE HB2 1 1
6 1260 1 1 12 PHE HB3 H -7.252 1.767 -1.564 1.00 . A A . 12 PHE HB3 1 1
6 1261 1 1 12 PHE HD1 H -6.601 3.145 -3.313 1.00 . A A . 12 PHE HD1 1 1
6 1262 1 1 12 PHE HD2 H -3.727 0.559 -1.555 1.00 . A A . 12 PHE HD2 1 1
6 1263 1 1 12 PHE HE1 H -5.024 3.661 -5.133 1.00 . A A . 12 PHE HE1 1 1
6 1264 1 1 12 PHE HE2 H -2.144 1.073 -3.362 1.00 . A A . 12 PHE HE2 1 1
6 1265 1 1 12 PHE HZ H -2.794 2.623 -5.161 1.00 . A A . 12 PHE HZ 1 1
6 1266 1 1 12 PHE N N -4.728 1.790 0.647 1.00 . A A . 12 PHE N 1 1
6 1267 1 1 12 PHE O O -6.981 0.470 1.561 1.00 . A A . 12 PHE O 1 1
6 1268 1 1 13 PRO C C -9.904 0.911 2.214 1.00 . A A . 13 PRO C 1 1
6 1269 1 1 13 PRO CA C -9.073 2.165 2.507 1.00 . A A . 13 PRO CA 1 1
6 1270 1 1 13 PRO CB C -9.977 3.402 2.509 1.00 . A A . 13 PRO CB 1 1
6 1271 1 1 13 PRO CD C -8.219 3.843 0.963 1.00 . A A . 13 PRO CD 1 1
6 1272 1 1 13 PRO CG C -9.665 4.112 1.239 1.00 . A A . 13 PRO CG 1 1
6 1273 1 1 13 PRO HA H -8.635 2.052 3.487 1.00 . A A . 13 PRO HA 1 1
6 1274 1 1 13 PRO HB2 H -11.011 3.093 2.547 1.00 . A A . 13 PRO HB2 1 1
6 1275 1 1 13 PRO HB3 H -9.748 4.013 3.370 1.00 . A A . 13 PRO HB3 1 1
6 1276 1 1 13 PRO HD2 H -8.033 3.874 -0.100 1.00 . A A . 13 PRO HD2 1 1
6 1277 1 1 13 PRO HD3 H -7.589 4.550 1.482 1.00 . A A . 13 PRO HD3 1 1
6 1278 1 1 13 PRO HG2 H -10.279 3.720 0.442 1.00 . A A . 13 PRO HG2 1 1
6 1279 1 1 13 PRO HG3 H -9.835 5.172 1.358 1.00 . A A . 13 PRO HG3 1 1
6 1280 1 1 13 PRO N N -8.036 2.481 1.496 1.00 . A A . 13 PRO N 1 1
6 1281 1 1 13 PRO O O -10.571 0.386 3.103 1.00 . A A . 13 PRO O 1 1
6 1282 1 1 14 ASP C C -9.835 -2.044 1.002 1.00 . A A . 14 ASP C 1 1
6 1283 1 1 14 ASP CA C -10.614 -0.776 0.632 1.00 . A A . 14 ASP CA 1 1
6 1284 1 1 14 ASP CB C -11.006 -0.776 -0.857 1.00 . A A . 14 ASP CB 1 1
6 1285 1 1 14 ASP CG C -9.835 -0.893 -1.812 1.00 . A A . 14 ASP CG 1 1
6 1286 1 1 14 ASP H H -9.296 0.854 0.313 1.00 . A A . 14 ASP H 1 1
6 1287 1 1 14 ASP HA H -11.513 -0.760 1.231 1.00 . A A . 14 ASP HA 1 1
6 1288 1 1 14 ASP HB2 H -11.666 -1.610 -1.043 1.00 . A A . 14 ASP HB2 1 1
6 1289 1 1 14 ASP HB3 H -11.535 0.139 -1.076 1.00 . A A . 14 ASP HB3 1 1
6 1290 1 1 14 ASP N N -9.856 0.417 0.991 1.00 . A A . 14 ASP N 1 1
6 1291 1 1 14 ASP O O -10.323 -3.170 0.835 1.00 . A A . 14 ASP O 1 1
6 1292 1 1 14 ASP OD1 O -9.637 -1.986 -2.397 1.00 . A A . 14 ASP OD1 1 1
6 1293 1 1 14 ASP OD2 O -9.121 0.112 -2.025 1.00 . A A . 14 ASP OD2 1 1
6 1294 2 2 1 . C C -1.798 -1.046 3.333 1.00 . B A . 101 WMH C 1 1
6 1295 2 2 1 . C1 C -1.185 1.274 3.498 1.00 . B A . 101 WMH C1 1 1
6 1296 2 2 1 . C2 C -0.047 1.957 3.791 1.00 . B A . 101 WMH C2 1 1
6 1297 2 2 1 . H1 H -2.304 -1.322 4.241 1.00 . B A . 101 WMH H1 1 1
6 1298 2 2 1 . H2 H -2.553 -0.624 2.687 1.00 . B A . 101 WMH H2 1 1
6 1299 2 2 1 . H5 H 0.059 3.030 3.803 1.00 . B A . 101 WMH H5 1 1
6 1300 2 2 1 . N N -0.916 -0.005 3.586 1.00 . B A . 101 WMH N 1 1
6 1301 2 2 1 . N1 N 0.909 1.071 4.065 1.00 . B A . 101 WMH N1 1 1
6 1302 2 2 1 . N2 N 0.429 -0.119 3.954 1.00 . B A . 101 WMH N2 1 1
7 1303 1 1 1 GLY C C -6.713 -3.490 1.100 1.00 . A A . 1 GLY C 1 1
7 1304 1 1 1 GLY CA C -7.901 -3.096 1.921 1.00 . A A . 1 GLY CA 1 1
7 1305 1 1 1 GLY H1 H -8.279 -1.049 1.641 1.00 . A A . 1 GLY H1 1 1
7 1306 1 1 1 GLY HA2 H -7.584 -2.861 2.926 1.00 . A A . 1 GLY HA2 1 1
7 1307 1 1 1 GLY HA3 H -8.599 -3.920 1.945 1.00 . A A . 1 GLY HA3 1 1
7 1308 1 1 1 GLY N N -8.535 -1.950 1.343 1.00 . A A . 1 GLY N 1 1
7 1309 1 1 1 GLY O O -6.481 -4.677 0.832 1.00 . A A . 1 GLY O 1 1
7 1310 1 1 2 ARG C C -3.644 -1.948 0.413 1.00 . A A . 2 ARG C 1 1
7 1311 1 1 2 ARG CA C -4.810 -2.718 -0.162 1.00 . A A . 2 ARG CA 1 1
7 1312 1 1 2 ARG CB C -5.097 -2.223 -1.572 1.00 . A A . 2 ARG CB 1 1
7 1313 1 1 2 ARG CD C -4.359 -1.906 -3.934 1.00 . A A . 2 ARG CD 1 1
7 1314 1 1 2 ARG CG C -4.055 -2.594 -2.612 1.00 . A A . 2 ARG CG 1 1
7 1315 1 1 2 ARG CZ C -6.546 -1.172 -4.895 1.00 . A A . 2 ARG CZ 1 1
7 1316 1 1 2 ARG H H -6.184 -1.582 0.952 1.00 . A A . 2 ARG H 1 1
7 1317 1 1 2 ARG HA H -4.585 -3.773 -0.189 1.00 . A A . 2 ARG HA 1 1
7 1318 1 1 2 ARG HB2 H -6.050 -2.615 -1.896 1.00 . A A . 2 ARG HB2 1 1
7 1319 1 1 2 ARG HB3 H -5.161 -1.147 -1.544 1.00 . A A . 2 ARG HB3 1 1
7 1320 1 1 2 ARG HD2 H -4.183 -0.846 -3.820 1.00 . A A . 2 ARG HD2 1 1
7 1321 1 1 2 ARG HD3 H -3.698 -2.301 -4.691 1.00 . A A . 2 ARG HD3 1 1
7 1322 1 1 2 ARG HE H -6.097 -3.030 -4.202 1.00 . A A . 2 ARG HE 1 1
7 1323 1 1 2 ARG HG2 H -3.083 -2.283 -2.262 1.00 . A A . 2 ARG HG2 1 1
7 1324 1 1 2 ARG HG3 H -4.067 -3.664 -2.757 1.00 . A A . 2 ARG HG3 1 1
7 1325 1 1 2 ARG HH11 H -5.097 0.287 -4.985 1.00 . A A . 2 ARG HH11 1 1
7 1326 1 1 2 ARG HH12 H -6.628 0.778 -5.542 1.00 . A A . 2 ARG HH12 1 1
7 1327 1 1 2 ARG HH21 H -8.219 -2.356 -5.015 1.00 . A A . 2 ARG HH21 1 1
7 1328 1 1 2 ARG HH22 H -8.440 -0.764 -5.562 1.00 . A A . 2 ARG HH22 1 1
7 1329 1 1 2 ARG N N -5.964 -2.498 0.676 1.00 . A A . 2 ARG N 1 1
7 1330 1 1 2 ARG NE N -5.755 -2.119 -4.360 1.00 . A A . 2 ARG NE 1 1
7 1331 1 1 2 ARG NH1 N -6.052 0.045 -5.163 1.00 . A A . 2 ARG NH1 1 1
7 1332 1 1 2 ARG NH2 N -7.814 -1.449 -5.181 1.00 . A A . 2 ARG NH2 1 1
7 1333 1 1 2 ARG O O -3.736 -0.742 0.610 1.00 . A A . 2 ARG O 1 1
7 1334 1 1 3 ALA C C -0.177 -2.551 0.586 1.00 . A A . 3 ALA C 1 1
7 1335 1 1 3 ALA CA C -1.399 -2.036 1.261 1.00 . A A . 3 ALA CA 1 1
7 1336 1 1 3 ALA CB C -1.349 -2.284 2.775 1.00 . A A . 3 ALA CB 1 1
7 1337 1 1 3 ALA H H -2.555 -3.593 0.502 1.00 . A A . 3 ALA H 1 1
7 1338 1 1 3 ALA HA H -1.455 -0.970 1.094 1.00 . A A . 3 ALA HA 1 1
7 1339 1 1 3 ALA HB2 H -0.316 -2.360 3.081 1.00 . A A . 3 ALA HB2 1 1
7 1340 1 1 3 ALA HB3 H -1.850 -3.216 2.995 1.00 . A A . 3 ALA HB3 1 1
7 1341 1 1 3 ALA N N -2.585 -2.630 0.691 1.00 . A A . 3 ALA N 1 1
7 1342 1 1 3 ALA O O -0.121 -3.723 0.217 1.00 . A A . 3 ALA O 1 1
7 1343 1 1 4 THR C C 3.030 -2.257 0.871 1.00 . A A . 4 THR C 1 1
7 1344 1 1 4 THR CA C 1.995 -2.061 -0.225 1.00 . A A . 4 THR CA 1 1
7 1345 1 1 4 THR CB C 2.481 -0.995 -1.237 1.00 . A A . 4 THR CB 1 1
7 1346 1 1 4 THR CG2 C 1.554 -0.927 -2.438 1.00 . A A . 4 THR CG2 1 1
7 1347 1 1 4 THR H H 0.669 -0.729 0.565 1.00 . A A . 4 THR H 1 1
7 1348 1 1 4 THR HA H 1.844 -2.995 -0.749 1.00 . A A . 4 THR HA 1 1
7 1349 1 1 4 THR HB H 3.473 -1.265 -1.567 1.00 . A A . 4 THR HB 1 1
7 1350 1 1 4 THR HG1 H 3.319 0.752 -0.927 1.00 . A A . 4 THR HG1 1 1
7 1351 1 1 4 THR HG21 H 1.918 -0.187 -3.134 1.00 . A A . 4 THR HG21 1 1
7 1352 1 1 4 THR HG22 H 0.563 -0.654 -2.109 1.00 . A A . 4 THR HG22 1 1
7 1353 1 1 4 THR HG23 H 1.520 -1.893 -2.920 1.00 . A A . 4 THR HG23 1 1
7 1354 1 1 4 THR N N 0.765 -1.682 0.357 1.00 . A A . 4 THR N 1 1
7 1355 1 1 4 THR O O 3.074 -1.487 1.848 1.00 . A A . 4 THR O 1 1
7 1356 1 1 4 THR OG1 O 2.528 0.296 -0.606 1.00 . A A . 4 THR OG1 1 1
7 1357 1 1 5 LYS C C 6.210 -3.157 1.065 1.00 . A A . 5 LYS C 1 1
7 1358 1 1 5 LYS CA C 4.881 -3.540 1.685 1.00 . A A . 5 LYS CA 1 1
7 1359 1 1 5 LYS CB C 4.829 -4.997 2.241 1.00 . A A . 5 LYS CB 1 1
7 1360 1 1 5 LYS CD C 6.253 -6.465 0.685 1.00 . A A . 5 LYS CD 1 1
7 1361 1 1 5 LYS CE C 7.161 -6.987 1.800 1.00 . A A . 5 LYS CE 1 1
7 1362 1 1 5 LYS CG C 4.853 -6.142 1.207 1.00 . A A . 5 LYS CG 1 1
7 1363 1 1 5 LYS H H 3.687 -3.887 -0.022 1.00 . A A . 5 LYS H 1 1
7 1364 1 1 5 LYS HA H 4.713 -2.848 2.497 1.00 . A A . 5 LYS HA 1 1
7 1365 1 1 5 LYS HB2 H 5.670 -5.129 2.902 1.00 . A A . 5 LYS HB2 1 1
7 1366 1 1 5 LYS HB3 H 3.932 -5.098 2.833 1.00 . A A . 5 LYS HB3 1 1
7 1367 1 1 5 LYS HD2 H 6.177 -7.218 -0.085 1.00 . A A . 5 LYS HD2 1 1
7 1368 1 1 5 LYS HD3 H 6.684 -5.564 0.271 1.00 . A A . 5 LYS HD3 1 1
7 1369 1 1 5 LYS HE2 H 7.270 -6.226 2.558 1.00 . A A . 5 LYS HE2 1 1
7 1370 1 1 5 LYS HE3 H 6.696 -7.860 2.235 1.00 . A A . 5 LYS HE3 1 1
7 1371 1 1 5 LYS HG2 H 4.457 -7.032 1.671 1.00 . A A . 5 LYS HG2 1 1
7 1372 1 1 5 LYS HG3 H 4.222 -5.866 0.375 1.00 . A A . 5 LYS HG3 1 1
7 1373 1 1 5 LYS HZ1 H 9.133 -7.576 2.109 1.00 . A A . 5 LYS HZ1 1 1
7 1374 1 1 5 LYS HZ2 H 8.924 -6.581 0.751 1.00 . A A . 5 LYS HZ2 1 1
7 1375 1 1 5 LYS HZ3 H 8.457 -8.191 0.704 1.00 . A A . 5 LYS HZ3 1 1
7 1376 1 1 5 LYS N N 3.822 -3.288 0.745 1.00 . A A . 5 LYS N 1 1
7 1377 1 1 5 LYS NZ N 8.505 -7.348 1.312 1.00 . A A . 5 LYS NZ 1 1
7 1378 1 1 5 LYS O O 7.274 -3.345 1.647 1.00 . A A . 5 LYS O 1 1
7 1379 1 1 6 SER C C 7.241 -0.568 -0.755 1.00 . A A . 6 SER C 1 1
7 1380 1 1 6 SER CA C 7.253 -2.101 -0.845 1.00 . A A . 6 SER CA 1 1
7 1381 1 1 6 SER CB C 7.195 -2.595 -2.288 1.00 . A A . 6 SER CB 1 1
7 1382 1 1 6 SER H H 5.233 -2.541 -0.534 1.00 . A A . 6 SER H 1 1
7 1383 1 1 6 SER HA H 8.150 -2.466 -0.369 1.00 . A A . 6 SER HA 1 1
7 1384 1 1 6 SER HB2 H 6.302 -2.217 -2.762 1.00 . A A . 6 SER HB2 1 1
7 1385 1 1 6 SER HB3 H 8.062 -2.248 -2.829 1.00 . A A . 6 SER HB3 1 1
7 1386 1 1 6 SER HG H 7.809 -4.349 -1.674 1.00 . A A . 6 SER HG 1 1
7 1387 1 1 6 SER N N 6.120 -2.612 -0.122 1.00 . A A . 6 SER N 1 1
7 1388 1 1 6 SER O O 6.346 0.001 -0.125 1.00 . A A . 6 SER O 1 1
7 1389 1 1 6 SER OG O 7.175 -4.021 -2.323 1.00 . A A . 6 SER OG 1 1
7 1390 1 1 7 ILE C C 7.602 2.192 -2.430 1.00 . A A . 7 ILE C 1 1
7 1391 1 1 7 ILE CA C 8.324 1.540 -1.238 1.00 . A A . 7 ILE CA 1 1
7 1392 1 1 7 ILE CB C 9.823 1.970 -1.222 1.00 . A A . 7 ILE CB 1 1
7 1393 1 1 7 ILE CD1 C 12.041 1.542 -0.003 1.00 . A A . 7 ILE CD1 1 1
7 1394 1 1 7 ILE CG1 C 10.549 1.286 -0.050 1.00 . A A . 7 ILE CG1 1 1
7 1395 1 1 7 ILE CG2 C 9.959 3.492 -1.122 1.00 . A A . 7 ILE CG2 1 1
7 1396 1 1 7 ILE H H 8.908 -0.384 -1.841 1.00 . A A . 7 ILE H 1 1
7 1397 1 1 7 ILE HA H 7.860 1.845 -0.312 1.00 . A A . 7 ILE HA 1 1
7 1398 1 1 7 ILE HB H 10.278 1.649 -2.146 1.00 . A A . 7 ILE HB 1 1
7 1399 1 1 7 ILE HD11 H 12.218 2.605 0.082 1.00 . A A . 7 ILE HD11 1 1
7 1400 1 1 7 ILE HD12 H 12.499 1.172 -0.908 1.00 . A A . 7 ILE HD12 1 1
7 1401 1 1 7 ILE HD13 H 12.467 1.038 0.851 1.00 . A A . 7 ILE HD13 1 1
7 1402 1 1 7 ILE HG12 H 10.130 1.640 0.879 1.00 . A A . 7 ILE HG12 1 1
7 1403 1 1 7 ILE HG13 H 10.394 0.220 -0.121 1.00 . A A . 7 ILE HG13 1 1
7 1404 1 1 7 ILE HG21 H 11.006 3.761 -1.131 1.00 . A A . 7 ILE HG21 1 1
7 1405 1 1 7 ILE HG22 H 9.511 3.834 -0.200 1.00 . A A . 7 ILE HG22 1 1
7 1406 1 1 7 ILE HG23 H 9.460 3.955 -1.959 1.00 . A A . 7 ILE HG23 1 1
7 1407 1 1 7 ILE N N 8.220 0.090 -1.324 1.00 . A A . 7 ILE N 1 1
7 1408 1 1 7 ILE O O 7.811 1.782 -3.574 1.00 . A A . 7 ILE O 1 1
7 1409 1 1 8 PRO C C 5.200 2.888 -0.250 1.00 . A A . 8 PRO C 1 1
7 1410 1 1 8 PRO CA C 6.359 3.693 -0.869 1.00 . A A . 8 PRO CA 1 1
7 1411 1 1 8 PRO CB C 5.885 5.141 -1.169 1.00 . A A . 8 PRO CB 1 1
7 1412 1 1 8 PRO CD C 6.018 3.930 -3.234 1.00 . A A . 8 PRO CD 1 1
7 1413 1 1 8 PRO CG C 5.987 5.309 -2.658 1.00 . A A . 8 PRO CG 1 1
7 1414 1 1 8 PRO HA H 7.202 3.719 -0.193 1.00 . A A . 8 PRO HA 1 1
7 1415 1 1 8 PRO HB2 H 4.867 5.257 -0.829 1.00 . A A . 8 PRO HB2 1 1
7 1416 1 1 8 PRO HB3 H 6.518 5.844 -0.647 1.00 . A A . 8 PRO HB3 1 1
7 1417 1 1 8 PRO HD2 H 5.017 3.549 -3.375 1.00 . A A . 8 PRO HD2 1 1
7 1418 1 1 8 PRO HD3 H 6.571 3.915 -4.161 1.00 . A A . 8 PRO HD3 1 1
7 1419 1 1 8 PRO HG2 H 5.130 5.851 -3.027 1.00 . A A . 8 PRO HG2 1 1
7 1420 1 1 8 PRO HG3 H 6.896 5.839 -2.904 1.00 . A A . 8 PRO HG3 1 1
7 1421 1 1 8 PRO N N 6.723 3.186 -2.200 1.00 . A A . 8 PRO N 1 1
7 1422 1 1 8 PRO O O 4.450 2.206 -0.976 1.00 . A A . 8 PRO O 1 1
7 1423 1 1 9 PRO C C 2.654 3.040 1.624 1.00 . A A . 9 PRO C 1 1
7 1424 1 1 9 PRO CA C 3.952 2.237 1.749 1.00 . A A . 9 PRO CA 1 1
7 1425 1 1 9 PRO CB C 4.409 2.138 3.208 1.00 . A A . 9 PRO CB 1 1
7 1426 1 1 9 PRO CD C 5.925 3.625 2.046 1.00 . A A . 9 PRO CD 1 1
7 1427 1 1 9 PRO CG C 5.339 3.295 3.402 1.00 . A A . 9 PRO CG 1 1
7 1428 1 1 9 PRO HA H 3.799 1.252 1.334 1.00 . A A . 9 PRO HA 1 1
7 1429 1 1 9 PRO HB2 H 3.551 2.201 3.859 1.00 . A A . 9 PRO HB2 1 1
7 1430 1 1 9 PRO HB3 H 4.916 1.198 3.363 1.00 . A A . 9 PRO HB3 1 1
7 1431 1 1 9 PRO HD2 H 5.897 4.690 1.873 1.00 . A A . 9 PRO HD2 1 1
7 1432 1 1 9 PRO HD3 H 6.939 3.260 1.976 1.00 . A A . 9 PRO HD3 1 1
7 1433 1 1 9 PRO HG2 H 4.787 4.141 3.783 1.00 . A A . 9 PRO HG2 1 1
7 1434 1 1 9 PRO HG3 H 6.122 3.021 4.093 1.00 . A A . 9 PRO HG3 1 1
7 1435 1 1 9 PRO N N 5.046 2.919 1.086 1.00 . A A . 9 PRO N 1 1
7 1436 1 1 9 PRO O O 2.399 3.983 2.381 1.00 . A A . 9 PRO O 1 1
7 1437 1 1 10 ILE C C -0.479 2.486 0.663 1.00 . A A . 10 ILE C 1 1
7 1438 1 1 10 ILE CA C 0.666 3.410 0.364 1.00 . A A . 10 ILE CA 1 1
7 1439 1 1 10 ILE CB C 0.604 3.863 -1.124 1.00 . A A . 10 ILE CB 1 1
7 1440 1 1 10 ILE CD1 C 1.933 5.126 -2.919 1.00 . A A . 10 ILE CD1 1 1
7 1441 1 1 10 ILE CG1 C 1.840 4.714 -1.467 1.00 . A A . 10 ILE CG1 1 1
7 1442 1 1 10 ILE CG2 C -0.681 4.656 -1.391 1.00 . A A . 10 ILE CG2 1 1
7 1443 1 1 10 ILE H H 2.109 1.932 0.083 1.00 . A A . 10 ILE H 1 1
7 1444 1 1 10 ILE HA H 0.611 4.279 1.003 1.00 . A A . 10 ILE HA 1 1
7 1445 1 1 10 ILE HB H 0.599 2.984 -1.749 1.00 . A A . 10 ILE HB 1 1
7 1446 1 1 10 ILE HD11 H 1.987 4.243 -3.535 1.00 . A A . 10 ILE HD11 1 1
7 1447 1 1 10 ILE HD12 H 2.814 5.732 -3.069 1.00 . A A . 10 ILE HD12 1 1
7 1448 1 1 10 ILE HD13 H 1.054 5.695 -3.185 1.00 . A A . 10 ILE HD13 1 1
7 1449 1 1 10 ILE HG12 H 1.823 5.616 -0.874 1.00 . A A . 10 ILE HG12 1 1
7 1450 1 1 10 ILE HG13 H 2.729 4.151 -1.221 1.00 . A A . 10 ILE HG13 1 1
7 1451 1 1 10 ILE HG21 H -1.539 4.038 -1.171 1.00 . A A . 10 ILE HG21 1 1
7 1452 1 1 10 ILE HG22 H -0.710 4.956 -2.428 1.00 . A A . 10 ILE HG22 1 1
7 1453 1 1 10 ILE HG23 H -0.698 5.535 -0.762 1.00 . A A . 10 ILE HG23 1 1
7 1454 1 1 10 ILE N N 1.882 2.710 0.641 1.00 . A A . 10 ILE N 1 1
7 1455 1 1 10 ILE O O -0.536 1.360 0.141 1.00 . A A . 10 ILE O 1 1
7 1456 1 1 11 ALA C C -3.735 2.688 1.355 1.00 . A A . 11 ALA C 1 1
7 1457 1 1 11 ALA CA C -2.467 2.092 1.865 1.00 . A A . 11 ALA CA 1 1
7 1458 1 1 11 ALA CB C -2.544 1.762 3.359 1.00 . A A . 11 ALA CB 1 1
7 1459 1 1 11 ALA H H -1.265 3.787 1.951 1.00 . A A . 11 ALA H 1 1
7 1460 1 1 11 ALA HA H -2.323 1.163 1.329 1.00 . A A . 11 ALA HA 1 1
7 1461 1 1 11 ALA HB1 H -3.364 1.077 3.516 1.00 . A A . 11 ALA HB1 1 1
7 1462 1 1 11 ALA HB2 H -2.729 2.632 3.964 1.00 . A A . 11 ALA HB2 1 1
7 1463 1 1 11 ALA N N -1.356 2.906 1.529 1.00 . A A . 11 ALA N 1 1
7 1464 1 1 11 ALA O O -3.978 3.902 1.470 1.00 . A A . 11 ALA O 1 1
7 1465 1 1 12 PHE C C -6.850 1.629 1.021 1.00 . A A . 12 PHE C 1 1
7 1466 1 1 12 PHE CA C -5.754 2.213 0.163 1.00 . A A . 12 PHE CA 1 1
7 1467 1 1 12 PHE CB C -5.867 1.593 -1.248 1.00 . A A . 12 PHE CB 1 1
7 1468 1 1 12 PHE CD1 C -4.893 2.845 -3.204 1.00 . A A . 12 PHE CD1 1 1
7 1469 1 1 12 PHE CD2 C -3.507 1.250 -2.107 1.00 . A A . 12 PHE CD2 1 1
7 1470 1 1 12 PHE CE1 C -3.866 3.126 -4.089 1.00 . A A . 12 PHE CE1 1 1
7 1471 1 1 12 PHE CE2 C -2.479 1.530 -2.984 1.00 . A A . 12 PHE CE2 1 1
7 1472 1 1 12 PHE CG C -4.730 1.907 -2.205 1.00 . A A . 12 PHE CG 1 1
7 1473 1 1 12 PHE CZ C -2.659 2.469 -3.976 1.00 . A A . 12 PHE CZ 1 1
7 1474 1 1 12 PHE H H -4.249 0.901 0.775 1.00 . A A . 12 PHE H 1 1
7 1475 1 1 12 PHE HA H -5.822 3.287 0.094 1.00 . A A . 12 PHE HA 1 1
7 1476 1 1 12 PHE HB2 H -5.939 0.524 -1.147 1.00 . A A . 12 PHE HB2 1 1
7 1477 1 1 12 PHE HB3 H -6.785 1.947 -1.695 1.00 . A A . 12 PHE HB3 1 1
7 1478 1 1 12 PHE HD1 H -5.836 3.364 -3.293 1.00 . A A . 12 PHE HD1 1 1
7 1479 1 1 12 PHE HD2 H -3.358 0.516 -1.328 1.00 . A A . 12 PHE HD2 1 1
7 1480 1 1 12 PHE HE1 H -4.004 3.861 -4.867 1.00 . A A . 12 PHE HE1 1 1
7 1481 1 1 12 PHE HE2 H -1.532 1.015 -2.893 1.00 . A A . 12 PHE HE2 1 1
7 1482 1 1 12 PHE HZ H -1.856 2.691 -4.666 1.00 . A A . 12 PHE HZ 1 1
7 1483 1 1 12 PHE N N -4.515 1.852 0.770 1.00 . A A . 12 PHE N 1 1
7 1484 1 1 12 PHE O O -6.795 0.430 1.331 1.00 . A A . 12 PHE O 1 1
7 1485 1 1 13 PRO C C -9.860 0.850 1.632 1.00 . A A . 13 PRO C 1 1
7 1486 1 1 13 PRO CA C -9.022 1.992 2.253 1.00 . A A . 13 PRO CA 1 1
7 1487 1 1 13 PRO CB C -9.878 3.255 2.381 1.00 . A A . 13 PRO CB 1 1
7 1488 1 1 13 PRO CD C -7.972 3.871 1.091 1.00 . A A . 13 PRO CD 1 1
7 1489 1 1 13 PRO CG C -8.940 4.375 2.116 1.00 . A A . 13 PRO CG 1 1
7 1490 1 1 13 PRO HA H -8.685 1.685 3.232 1.00 . A A . 13 PRO HA 1 1
7 1491 1 1 13 PRO HB2 H -10.674 3.223 1.653 1.00 . A A . 13 PRO HB2 1 1
7 1492 1 1 13 PRO HB3 H -10.295 3.317 3.375 1.00 . A A . 13 PRO HB3 1 1
7 1493 1 1 13 PRO HD2 H -8.355 4.029 0.094 1.00 . A A . 13 PRO HD2 1 1
7 1494 1 1 13 PRO HD3 H -7.022 4.364 1.217 1.00 . A A . 13 PRO HD3 1 1
7 1495 1 1 13 PRO HG2 H -9.480 5.223 1.727 1.00 . A A . 13 PRO HG2 1 1
7 1496 1 1 13 PRO HG3 H -8.417 4.644 3.023 1.00 . A A . 13 PRO HG3 1 1
7 1497 1 1 13 PRO N N -7.869 2.437 1.407 1.00 . A A . 13 PRO N 1 1
7 1498 1 1 13 PRO O O -10.898 0.461 2.163 1.00 . A A . 13 PRO O 1 1
7 1499 1 1 14 ASP C C -9.451 -2.081 0.405 1.00 . A A . 14 ASP C 1 1
7 1500 1 1 14 ASP CA C -10.018 -0.797 -0.149 1.00 . A A . 14 ASP CA 1 1
7 1501 1 1 14 ASP CB C -9.766 -0.758 -1.656 1.00 . A A . 14 ASP CB 1 1
7 1502 1 1 14 ASP CG C -10.532 0.317 -2.355 1.00 . A A . 14 ASP CG 1 1
7 1503 1 1 14 ASP H H -8.625 0.769 0.113 1.00 . A A . 14 ASP H 1 1
7 1504 1 1 14 ASP HA H -11.082 -0.767 0.029 1.00 . A A . 14 ASP HA 1 1
7 1505 1 1 14 ASP HB2 H -8.714 -0.587 -1.831 1.00 . A A . 14 ASP HB2 1 1
7 1506 1 1 14 ASP HB3 H -10.041 -1.713 -2.080 1.00 . A A . 14 ASP HB3 1 1
7 1507 1 1 14 ASP N N -9.411 0.342 0.512 1.00 . A A . 14 ASP N 1 1
7 1508 1 1 14 ASP O O -9.829 -3.169 -0.023 1.00 . A A . 14 ASP O 1 1
7 1509 1 1 14 ASP OD1 O -11.703 0.087 -2.684 1.00 . A A . 14 ASP OD1 1 1
7 1510 1 1 14 ASP OD2 O -9.975 1.403 -2.615 1.00 . A A . 14 ASP OD2 1 1
7 1511 2 2 1 . C C -2.005 -1.188 3.587 1.00 . B A . 101 WMH C 1 1
7 1512 2 2 1 . C1 C -1.302 1.104 3.886 1.00 . B A . 101 WMH C1 1 1
7 1513 2 2 1 . C2 C -0.158 1.722 4.292 1.00 . B A . 101 WMH C2 1 1
7 1514 2 2 1 . H1 H -2.579 -1.495 4.442 1.00 . B A . 101 WMH H1 1 1
7 1515 2 2 1 . H2 H -2.701 -0.713 2.912 1.00 . B A . 101 WMH H2 1 1
7 1516 2 2 1 . H5 H 0.004 2.787 4.349 1.00 . B A . 101 WMH H5 1 1
7 1517 2 2 1 . N N -1.102 -0.192 3.953 1.00 . B A . 101 WMH N 1 1
7 1518 2 2 1 . N1 N 0.727 0.774 4.608 1.00 . B A . 101 WMH N1 1 1
7 1519 2 2 1 . N2 N 0.202 -0.387 4.420 1.00 . B A . 101 WMH N2 1 1
8 1520 1 1 1 GLY C C -6.530 -3.398 0.712 1.00 . A A . 1 GLY C 1 1
8 1521 1 1 1 GLY CA C -7.744 -3.150 1.554 1.00 . A A . 1 GLY CA 1 1
8 1522 1 1 1 GLY H1 H -8.073 -1.104 1.217 1.00 . A A . 1 GLY H1 1 1
8 1523 1 1 1 GLY HA2 H -7.441 -2.976 2.576 1.00 . A A . 1 GLY HA2 1 1
8 1524 1 1 1 GLY HA3 H -8.388 -4.014 1.505 1.00 . A A . 1 GLY HA3 1 1
8 1525 1 1 1 GLY N N -8.451 -1.999 1.074 1.00 . A A . 1 GLY N 1 1
8 1526 1 1 1 GLY O O -6.256 -4.524 0.312 1.00 . A A . 1 GLY O 1 1
8 1527 1 1 2 ARG C C -3.506 -1.649 0.153 1.00 . A A . 2 ARG C 1 1
8 1528 1 1 2 ARG CA C -4.654 -2.437 -0.438 1.00 . A A . 2 ARG CA 1 1
8 1529 1 1 2 ARG CB C -4.999 -1.933 -1.857 1.00 . A A . 2 ARG CB 1 1
8 1530 1 1 2 ARG CD C -3.393 -3.407 -3.217 1.00 . A A . 2 ARG CD 1 1
8 1531 1 1 2 ARG CG C -3.867 -1.984 -2.907 1.00 . A A . 2 ARG CG 1 1
8 1532 1 1 2 ARG CZ C -2.602 -5.225 -1.689 1.00 . A A . 2 ARG CZ 1 1
8 1533 1 1 2 ARG H H -6.045 -1.474 0.810 1.00 . A A . 2 ARG H 1 1
8 1534 1 1 2 ARG HA H -4.368 -3.477 -0.501 1.00 . A A . 2 ARG HA 1 1
8 1535 1 1 2 ARG HB2 H -5.817 -2.526 -2.238 1.00 . A A . 2 ARG HB2 1 1
8 1536 1 1 2 ARG HB3 H -5.334 -0.910 -1.781 1.00 . A A . 2 ARG HB3 1 1
8 1537 1 1 2 ARG HD2 H -4.265 -4.035 -3.313 1.00 . A A . 2 ARG HD2 1 1
8 1538 1 1 2 ARG HD3 H -2.861 -3.400 -4.157 1.00 . A A . 2 ARG HD3 1 1
8 1539 1 1 2 ARG HE H -1.792 -3.386 -1.866 1.00 . A A . 2 ARG HE 1 1
8 1540 1 1 2 ARG HG2 H -4.223 -1.536 -3.823 1.00 . A A . 2 ARG HG2 1 1
8 1541 1 1 2 ARG HG3 H -3.032 -1.406 -2.537 1.00 . A A . 2 ARG HG3 1 1
8 1542 1 1 2 ARG HH11 H -4.311 -5.757 -2.711 1.00 . A A . 2 ARG HH11 1 1
8 1543 1 1 2 ARG HH12 H -3.661 -6.970 -1.713 1.00 . A A . 2 ARG HH12 1 1
8 1544 1 1 2 ARG HH21 H -0.936 -5.080 -0.508 1.00 . A A . 2 ARG HH21 1 1
8 1545 1 1 2 ARG HH22 H -1.747 -6.586 -0.440 1.00 . A A . 2 ARG HH22 1 1
8 1546 1 1 2 ARG N N -5.811 -2.345 0.418 1.00 . A A . 2 ARG N 1 1
8 1547 1 1 2 ARG NE N -2.516 -3.975 -2.174 1.00 . A A . 2 ARG NE 1 1
8 1548 1 1 2 ARG NH1 N -3.592 -6.030 -2.062 1.00 . A A . 2 ARG NH1 1 1
8 1549 1 1 2 ARG NH2 N -1.700 -5.658 -0.823 1.00 . A A . 2 ARG NH2 1 1
8 1550 1 1 2 ARG O O -3.525 -0.430 0.170 1.00 . A A . 2 ARG O 1 1
8 1551 1 1 3 ALA C C -0.163 -2.374 0.534 1.00 . A A . 3 ALA C 1 1
8 1552 1 1 3 ALA CA C -1.348 -1.789 1.225 1.00 . A A . 3 ALA CA 1 1
8 1553 1 1 3 ALA CB C -1.255 -2.015 2.744 1.00 . A A . 3 ALA CB 1 1
8 1554 1 1 3 ALA H H -2.660 -3.332 0.737 1.00 . A A . 3 ALA H 1 1
8 1555 1 1 3 ALA HA H -1.366 -0.726 1.036 1.00 . A A . 3 ALA HA 1 1
8 1556 1 1 3 ALA HB2 H -0.215 -2.117 3.017 1.00 . A A . 3 ALA HB2 1 1
8 1557 1 1 3 ALA HB3 H -1.771 -2.931 2.992 1.00 . A A . 3 ALA HB3 1 1
8 1558 1 1 3 ALA N N -2.562 -2.355 0.685 1.00 . A A . 3 ALA N 1 1
8 1559 1 1 3 ALA O O -0.172 -3.559 0.170 1.00 . A A . 3 ALA O 1 1
8 1560 1 1 4 THR C C 3.035 -2.120 0.847 1.00 . A A . 4 THR C 1 1
8 1561 1 1 4 THR CA C 2.018 -2.020 -0.274 1.00 . A A . 4 THR CA 1 1
8 1562 1 1 4 THR CB C 2.521 -1.099 -1.410 1.00 . A A . 4 THR CB 1 1
8 1563 1 1 4 THR CG2 C 1.585 -1.163 -2.610 1.00 . A A . 4 THR CG2 1 1
8 1564 1 1 4 THR H H 0.729 -0.594 0.436 1.00 . A A . 4 THR H 1 1
8 1565 1 1 4 THR HA H 1.845 -3.012 -0.670 1.00 . A A . 4 THR HA 1 1
8 1566 1 1 4 THR HB H 3.501 -1.440 -1.708 1.00 . A A . 4 THR HB 1 1
8 1567 1 1 4 THR HG1 H 3.348 0.674 -1.403 1.00 . A A . 4 THR HG1 1 1
8 1568 1 1 4 THR HG21 H 1.953 -0.521 -3.396 1.00 . A A . 4 THR HG21 1 1
8 1569 1 1 4 THR HG22 H 0.601 -0.835 -2.312 1.00 . A A . 4 THR HG22 1 1
8 1570 1 1 4 THR HG23 H 1.528 -2.179 -2.972 1.00 . A A . 4 THR HG23 1 1
8 1571 1 1 4 THR N N 0.803 -1.559 0.273 1.00 . A A . 4 THR N 1 1
8 1572 1 1 4 THR O O 3.101 -1.246 1.724 1.00 . A A . 4 THR O 1 1
8 1573 1 1 4 THR OG1 O 2.600 0.261 -0.949 1.00 . A A . 4 THR OG1 1 1
8 1574 1 1 5 LYS C C 6.124 -2.994 1.330 1.00 . A A . 5 LYS C 1 1
8 1575 1 1 5 LYS CA C 4.783 -3.413 1.877 1.00 . A A . 5 LYS CA 1 1
8 1576 1 1 5 LYS CB C 4.804 -4.884 2.294 1.00 . A A . 5 LYS CB 1 1
8 1577 1 1 5 LYS CD C 3.517 -6.838 3.266 1.00 . A A . 5 LYS CD 1 1
8 1578 1 1 5 LYS CE C 3.855 -7.764 2.106 1.00 . A A . 5 LYS CE 1 1
8 1579 1 1 5 LYS CG C 3.469 -5.378 2.835 1.00 . A A . 5 LYS CG 1 1
8 1580 1 1 5 LYS H H 3.644 -3.863 0.158 1.00 . A A . 5 LYS H 1 1
8 1581 1 1 5 LYS HA H 4.541 -2.800 2.734 1.00 . A A . 5 LYS HA 1 1
8 1582 1 1 5 LYS HB2 H 5.063 -5.477 1.429 1.00 . A A . 5 LYS HB2 1 1
8 1583 1 1 5 LYS HB3 H 5.556 -5.023 3.056 1.00 . A A . 5 LYS HB3 1 1
8 1584 1 1 5 LYS HD2 H 4.271 -6.945 4.031 1.00 . A A . 5 LYS HD2 1 1
8 1585 1 1 5 LYS HD3 H 2.554 -7.112 3.671 1.00 . A A . 5 LYS HD3 1 1
8 1586 1 1 5 LYS HE2 H 3.158 -7.590 1.300 1.00 . A A . 5 LYS HE2 1 1
8 1587 1 1 5 LYS HE3 H 4.855 -7.535 1.771 1.00 . A A . 5 LYS HE3 1 1
8 1588 1 1 5 LYS HG2 H 3.196 -4.774 3.687 1.00 . A A . 5 LYS HG2 1 1
8 1589 1 1 5 LYS HG3 H 2.721 -5.262 2.065 1.00 . A A . 5 LYS HG3 1 1
8 1590 1 1 5 LYS HZ1 H 4.446 -9.406 3.275 1.00 . A A . 5 LYS HZ1 1 1
8 1591 1 1 5 LYS HZ2 H 4.074 -9.789 1.689 1.00 . A A . 5 LYS HZ2 1 1
8 1592 1 1 5 LYS HZ3 H 2.835 -9.476 2.763 1.00 . A A . 5 LYS HZ3 1 1
8 1593 1 1 5 LYS N N 3.770 -3.192 0.863 1.00 . A A . 5 LYS N 1 1
8 1594 1 1 5 LYS NZ N 3.796 -9.190 2.495 1.00 . A A . 5 LYS NZ 1 1
8 1595 1 1 5 LYS O O 7.137 -3.008 2.022 1.00 . A A . 5 LYS O 1 1
8 1596 1 1 6 SER C C 7.196 -0.655 -0.697 1.00 . A A . 6 SER C 1 1
8 1597 1 1 6 SER CA C 7.263 -2.181 -0.602 1.00 . A A . 6 SER CA 1 1
8 1598 1 1 6 SER CB C 7.272 -2.825 -1.978 1.00 . A A . 6 SER CB 1 1
8 1599 1 1 6 SER H H 5.252 -2.630 -0.391 1.00 . A A . 6 SER H 1 1
8 1600 1 1 6 SER HA H 8.142 -2.483 -0.052 1.00 . A A . 6 SER HA 1 1
8 1601 1 1 6 SER HB2 H 6.475 -2.409 -2.577 1.00 . A A . 6 SER HB2 1 1
8 1602 1 1 6 SER HB3 H 8.223 -2.634 -2.450 1.00 . A A . 6 SER HB3 1 1
8 1603 1 1 6 SER HG H 7.652 -4.552 -1.142 1.00 . A A . 6 SER HG 1 1
8 1604 1 1 6 SER N N 6.106 -2.626 0.088 1.00 . A A . 6 SER N 1 1
8 1605 1 1 6 SER O O 6.111 -0.077 -0.598 1.00 . A A . 6 SER O 1 1
8 1606 1 1 6 SER OG O 7.087 -4.242 -1.864 1.00 . A A . 6 SER OG 1 1
8 1607 1 1 7 ILE C C 7.932 1.982 -2.252 1.00 . A A . 7 ILE C 1 1
8 1608 1 1 7 ILE CA C 8.413 1.430 -0.901 1.00 . A A . 7 ILE CA 1 1
8 1609 1 1 7 ILE CB C 9.875 1.882 -0.620 1.00 . A A . 7 ILE CB 1 1
8 1610 1 1 7 ILE CD1 C 11.754 1.696 1.106 1.00 . A A . 7 ILE CD1 1 1
8 1611 1 1 7 ILE CG1 C 10.316 1.383 0.765 1.00 . A A . 7 ILE CG1 1 1
8 1612 1 1 7 ILE CG2 C 10.022 3.401 -0.719 1.00 . A A . 7 ILE CG2 1 1
8 1613 1 1 7 ILE H H 9.149 -0.538 -1.005 1.00 . A A . 7 ILE H 1 1
8 1614 1 1 7 ILE HA H 7.779 1.802 -0.111 1.00 . A A . 7 ILE HA 1 1
8 1615 1 1 7 ILE HB H 10.515 1.434 -1.364 1.00 . A A . 7 ILE HB 1 1
8 1616 1 1 7 ILE HD11 H 11.983 1.304 2.086 1.00 . A A . 7 ILE HD11 1 1
8 1617 1 1 7 ILE HD12 H 11.900 2.766 1.105 1.00 . A A . 7 ILE HD12 1 1
8 1618 1 1 7 ILE HD13 H 12.403 1.240 0.374 1.00 . A A . 7 ILE HD13 1 1
8 1619 1 1 7 ILE HG12 H 9.696 1.844 1.519 1.00 . A A . 7 ILE HG12 1 1
8 1620 1 1 7 ILE HG13 H 10.185 0.312 0.810 1.00 . A A . 7 ILE HG13 1 1
8 1621 1 1 7 ILE HG21 H 11.050 3.675 -0.539 1.00 . A A . 7 ILE HG21 1 1
8 1622 1 1 7 ILE HG22 H 9.391 3.868 0.022 1.00 . A A . 7 ILE HG22 1 1
8 1623 1 1 7 ILE HG23 H 9.725 3.729 -1.706 1.00 . A A . 7 ILE HG23 1 1
8 1624 1 1 7 ILE N N 8.326 -0.021 -0.871 1.00 . A A . 7 ILE N 1 1
8 1625 1 1 7 ILE O O 8.345 1.487 -3.304 1.00 . A A . 7 ILE O 1 1
8 1626 1 1 8 PRO C C 5.270 2.922 -0.519 1.00 . A A . 8 PRO C 1 1
8 1627 1 1 8 PRO CA C 6.515 3.650 -1.044 1.00 . A A . 8 PRO CA 1 1
8 1628 1 1 8 PRO CB C 6.126 5.064 -1.535 1.00 . A A . 8 PRO CB 1 1
8 1629 1 1 8 PRO CD C 6.549 3.673 -3.446 1.00 . A A . 8 PRO CD 1 1
8 1630 1 1 8 PRO CG C 6.470 5.100 -2.999 1.00 . A A . 8 PRO CG 1 1
8 1631 1 1 8 PRO HA H 7.254 3.729 -0.261 1.00 . A A . 8 PRO HA 1 1
8 1632 1 1 8 PRO HB2 H 5.069 5.220 -1.375 1.00 . A A . 8 PRO HB2 1 1
8 1633 1 1 8 PRO HB3 H 6.686 5.804 -0.983 1.00 . A A . 8 PRO HB3 1 1
8 1634 1 1 8 PRO HD2 H 5.569 3.306 -3.710 1.00 . A A . 8 PRO HD2 1 1
8 1635 1 1 8 PRO HD3 H 7.236 3.562 -4.272 1.00 . A A . 8 PRO HD3 1 1
8 1636 1 1 8 PRO HG2 H 5.698 5.621 -3.544 1.00 . A A . 8 PRO HG2 1 1
8 1637 1 1 8 PRO HG3 H 7.420 5.590 -3.139 1.00 . A A . 8 PRO HG3 1 1
8 1638 1 1 8 PRO N N 7.056 3.014 -2.256 1.00 . A A . 8 PRO N 1 1
8 1639 1 1 8 PRO O O 4.412 2.502 -1.310 1.00 . A A . 8 PRO O 1 1
8 1640 1 1 9 PRO C C 2.746 2.944 1.308 1.00 . A A . 9 PRO C 1 1
8 1641 1 1 9 PRO CA C 4.002 2.075 1.395 1.00 . A A . 9 PRO CA 1 1
8 1642 1 1 9 PRO CB C 4.412 1.836 2.851 1.00 . A A . 9 PRO CB 1 1
8 1643 1 1 9 PRO CD C 6.131 3.172 1.826 1.00 . A A . 9 PRO CD 1 1
8 1644 1 1 9 PRO CG C 5.457 2.863 3.137 1.00 . A A . 9 PRO CG 1 1
8 1645 1 1 9 PRO HA H 3.810 1.134 0.901 1.00 . A A . 9 PRO HA 1 1
8 1646 1 1 9 PRO HB2 H 3.551 1.955 3.492 1.00 . A A . 9 PRO HB2 1 1
8 1647 1 1 9 PRO HB3 H 4.806 0.835 2.955 1.00 . A A . 9 PRO HB3 1 1
8 1648 1 1 9 PRO HD2 H 6.324 4.232 1.746 1.00 . A A . 9 PRO HD2 1 1
8 1649 1 1 9 PRO HD3 H 7.052 2.614 1.738 1.00 . A A . 9 PRO HD3 1 1
8 1650 1 1 9 PRO HG2 H 4.992 3.752 3.535 1.00 . A A . 9 PRO HG2 1 1
8 1651 1 1 9 PRO HG3 H 6.173 2.471 3.845 1.00 . A A . 9 PRO HG3 1 1
8 1652 1 1 9 PRO N N 5.152 2.743 0.806 1.00 . A A . 9 PRO N 1 1
8 1653 1 1 9 PRO O O 2.596 3.942 2.032 1.00 . A A . 9 PRO O 1 1
8 1654 1 1 10 ILE C C -0.483 2.446 0.574 1.00 . A A . 10 ILE C 1 1
8 1655 1 1 10 ILE CA C 0.670 3.326 0.156 1.00 . A A . 10 ILE CA 1 1
8 1656 1 1 10 ILE CB C 0.524 3.775 -1.333 1.00 . A A . 10 ILE CB 1 1
8 1657 1 1 10 ILE CD1 C 0.399 2.913 -3.759 1.00 . A A . 10 ILE CD1 1 1
8 1658 1 1 10 ILE CG1 C 0.557 2.563 -2.291 1.00 . A A . 10 ILE CG1 1 1
8 1659 1 1 10 ILE CG2 C 1.629 4.768 -1.686 1.00 . A A . 10 ILE CG2 1 1
8 1660 1 1 10 ILE H H 2.089 1.813 -0.166 1.00 . A A . 10 ILE H 1 1
8 1661 1 1 10 ILE HA H 0.687 4.198 0.792 1.00 . A A . 10 ILE HA 1 1
8 1662 1 1 10 ILE HB H -0.425 4.283 -1.432 1.00 . A A . 10 ILE HB 1 1
8 1663 1 1 10 ILE HD11 H 1.207 3.562 -4.060 1.00 . A A . 10 ILE HD11 1 1
8 1664 1 1 10 ILE HD12 H -0.542 3.420 -3.909 1.00 . A A . 10 ILE HD12 1 1
8 1665 1 1 10 ILE HD13 H 0.422 2.009 -4.349 1.00 . A A . 10 ILE HD13 1 1
8 1666 1 1 10 ILE HG12 H 1.503 2.054 -2.176 1.00 . A A . 10 ILE HG12 1 1
8 1667 1 1 10 ILE HG13 H -0.237 1.885 -2.019 1.00 . A A . 10 ILE HG13 1 1
8 1668 1 1 10 ILE HG21 H 2.590 4.298 -1.548 1.00 . A A . 10 ILE HG21 1 1
8 1669 1 1 10 ILE HG22 H 1.558 5.635 -1.046 1.00 . A A . 10 ILE HG22 1 1
8 1670 1 1 10 ILE HG23 H 1.523 5.072 -2.717 1.00 . A A . 10 ILE HG23 1 1
8 1671 1 1 10 ILE N N 1.896 2.608 0.384 1.00 . A A . 10 ILE N 1 1
8 1672 1 1 10 ILE O O -0.438 1.215 0.379 1.00 . A A . 10 ILE O 1 1
8 1673 1 1 11 ALA C C -3.901 2.797 1.308 1.00 . A A . 11 ALA C 1 1
8 1674 1 1 11 ALA CA C -2.574 2.240 1.700 1.00 . A A . 11 ALA CA 1 1
8 1675 1 1 11 ALA CB C -2.510 2.014 3.220 1.00 . A A . 11 ALA CB 1 1
8 1676 1 1 11 ALA H H -1.499 4.002 1.317 1.00 . A A . 11 ALA H 1 1
8 1677 1 1 11 ALA HA H -2.483 1.274 1.224 1.00 . A A . 11 ALA HA 1 1
8 1678 1 1 11 ALA HB1 H -3.287 1.314 3.488 1.00 . A A . 11 ALA HB1 1 1
8 1679 1 1 11 ALA HB2 H -2.678 2.914 3.784 1.00 . A A . 11 ALA HB2 1 1
8 1680 1 1 11 ALA N N -1.481 3.029 1.200 1.00 . A A . 11 ALA N 1 1
8 1681 1 1 11 ALA O O -4.134 4.004 1.357 1.00 . A A . 11 ALA O 1 1
8 1682 1 1 12 PHE C C -7.051 1.512 1.349 1.00 . A A . 12 PHE C 1 1
8 1683 1 1 12 PHE CA C -6.071 2.233 0.464 1.00 . A A . 12 PHE CA 1 1
8 1684 1 1 12 PHE CB C -6.281 1.758 -0.980 1.00 . A A . 12 PHE CB 1 1
8 1685 1 1 12 PHE CD1 C -4.083 1.846 -2.193 1.00 . A A . 12 PHE CD1 1 1
8 1686 1 1 12 PHE CD2 C -5.746 3.459 -2.722 1.00 . A A . 12 PHE CD2 1 1
8 1687 1 1 12 PHE CE1 C -3.236 2.407 -3.116 1.00 . A A . 12 PHE CE1 1 1
8 1688 1 1 12 PHE CE2 C -4.905 4.023 -3.648 1.00 . A A . 12 PHE CE2 1 1
8 1689 1 1 12 PHE CG C -5.350 2.369 -1.985 1.00 . A A . 12 PHE CG 1 1
8 1690 1 1 12 PHE CZ C -3.647 3.499 -3.846 1.00 . A A . 12 PHE CZ 1 1
8 1691 1 1 12 PHE H H -4.456 0.976 0.911 1.00 . A A . 12 PHE H 1 1
8 1692 1 1 12 PHE HA H -6.216 3.300 0.509 1.00 . A A . 12 PHE HA 1 1
8 1693 1 1 12 PHE HB2 H -6.153 0.688 -1.012 1.00 . A A . 12 PHE HB2 1 1
8 1694 1 1 12 PHE HB3 H -7.294 1.991 -1.276 1.00 . A A . 12 PHE HB3 1 1
8 1695 1 1 12 PHE HD1 H -3.761 0.990 -1.617 1.00 . A A . 12 PHE HD1 1 1
8 1696 1 1 12 PHE HD2 H -6.731 3.873 -2.569 1.00 . A A . 12 PHE HD2 1 1
8 1697 1 1 12 PHE HE1 H -2.250 1.994 -3.271 1.00 . A A . 12 PHE HE1 1 1
8 1698 1 1 12 PHE HE2 H -5.236 4.878 -4.217 1.00 . A A . 12 PHE HE2 1 1
8 1699 1 1 12 PHE HZ H -2.982 3.945 -4.573 1.00 . A A . 12 PHE HZ 1 1
8 1700 1 1 12 PHE N N -4.748 1.916 0.906 1.00 . A A . 12 PHE N 1 1
8 1701 1 1 12 PHE O O -6.899 0.293 1.561 1.00 . A A . 12 PHE O 1 1
8 1702 1 1 13 PRO C C -9.878 0.465 2.065 1.00 . A A . 13 PRO C 1 1
8 1703 1 1 13 PRO CA C -9.131 1.634 2.739 1.00 . A A . 13 PRO CA 1 1
8 1704 1 1 13 PRO CB C -10.088 2.797 2.975 1.00 . A A . 13 PRO CB 1 1
8 1705 1 1 13 PRO CD C -8.251 3.684 1.741 1.00 . A A . 13 PRO CD 1 1
8 1706 1 1 13 PRO CG C -9.246 4.007 2.817 1.00 . A A . 13 PRO CG 1 1
8 1707 1 1 13 PRO HA H -8.722 1.298 3.680 1.00 . A A . 13 PRO HA 1 1
8 1708 1 1 13 PRO HB2 H -10.889 2.764 2.252 1.00 . A A . 13 PRO HB2 1 1
8 1709 1 1 13 PRO HB3 H -10.493 2.729 3.975 1.00 . A A . 13 PRO HB3 1 1
8 1710 1 1 13 PRO HD2 H -8.634 3.943 0.766 1.00 . A A . 13 PRO HD2 1 1
8 1711 1 1 13 PRO HD3 H -7.324 4.204 1.936 1.00 . A A . 13 PRO HD3 1 1
8 1712 1 1 13 PRO HG2 H -9.858 4.850 2.529 1.00 . A A . 13 PRO HG2 1 1
8 1713 1 1 13 PRO HG3 H -8.738 4.215 3.746 1.00 . A A . 13 PRO HG3 1 1
8 1714 1 1 13 PRO N N -8.070 2.225 1.881 1.00 . A A . 13 PRO N 1 1
8 1715 1 1 13 PRO O O -10.618 -0.281 2.714 1.00 . A A . 13 PRO O 1 1
8 1716 1 1 14 ASP C C -9.603 -2.106 0.447 1.00 . A A . 14 ASP C 1 1
8 1717 1 1 14 ASP CA C -10.211 -0.794 -0.037 1.00 . A A . 14 ASP CA 1 1
8 1718 1 1 14 ASP CB C -9.842 -0.628 -1.526 1.00 . A A . 14 ASP CB 1 1
8 1719 1 1 14 ASP CG C -10.360 0.637 -2.157 1.00 . A A . 14 ASP CG 1 1
8 1720 1 1 14 ASP H H -9.149 1.019 0.316 1.00 . A A . 14 ASP H 1 1
8 1721 1 1 14 ASP HA H -11.285 -0.820 0.065 1.00 . A A . 14 ASP HA 1 1
8 1722 1 1 14 ASP HB2 H -8.767 -0.628 -1.620 1.00 . A A . 14 ASP HB2 1 1
8 1723 1 1 14 ASP HB3 H -10.237 -1.471 -2.073 1.00 . A A . 14 ASP HB3 1 1
8 1724 1 1 14 ASP N N -9.675 0.321 0.760 1.00 . A A . 14 ASP N 1 1
8 1725 1 1 14 ASP O O -10.169 -3.185 0.258 1.00 . A A . 14 ASP O 1 1
8 1726 1 1 14 ASP OD1 O -11.485 0.635 -2.682 1.00 . A A . 14 ASP OD1 1 1
8 1727 1 1 14 ASP OD2 O -9.635 1.663 -2.148 1.00 . A A . 14 ASP OD2 1 1
8 1728 2 2 1 . C C -1.855 -0.894 3.569 1.00 . B A . 101 WMH C 1 1
8 1729 2 2 1 . C1 C -1.217 1.436 3.687 1.00 . B A . 101 WMH C1 1 1
8 1730 2 2 1 . C2 C -0.081 2.120 3.966 1.00 . B A . 101 WMH C2 1 1
8 1731 2 2 1 . H1 H -2.324 -1.176 4.494 1.00 . B A . 101 WMH H1 1 1
8 1732 2 2 1 . H2 H -2.632 -0.475 2.950 1.00 . B A . 101 WMH H2 1 1
8 1733 2 2 1 . H5 H 0.035 3.195 3.955 1.00 . B A . 101 WMH H5 1 1
8 1734 2 2 1 . N N -0.957 0.155 3.801 1.00 . B A . 101 WMH N 1 1
8 1735 2 2 1 . N1 N 0.871 1.243 4.253 1.00 . B A . 101 WMH N1 1 1
8 1736 2 2 1 . N2 N 0.397 0.048 4.170 1.00 . B A . 101 WMH N2 1 1
9 1737 1 1 1 GLY C C -6.751 -3.531 1.373 1.00 . A A . 1 GLY C 1 1
9 1738 1 1 1 GLY CA C -7.917 -3.039 2.186 1.00 . A A . 1 GLY CA 1 1
9 1739 1 1 1 GLY H1 H -8.039 -1.097 1.373 1.00 . A A . 1 GLY H1 1 1
9 1740 1 1 1 GLY HA2 H -7.569 -2.749 3.166 1.00 . A A . 1 GLY HA2 1 1
9 1741 1 1 1 GLY HA3 H -8.636 -3.839 2.285 1.00 . A A . 1 GLY HA3 1 1
9 1742 1 1 1 GLY N N -8.549 -1.917 1.555 1.00 . A A . 1 GLY N 1 1
9 1743 1 1 1 GLY O O -6.532 -4.737 1.252 1.00 . A A . 1 GLY O 1 1
9 1744 1 1 2 ARG C C -3.681 -2.053 0.407 1.00 . A A . 2 ARG C 1 1
9 1745 1 1 2 ARG CA C -4.855 -2.922 -0.029 1.00 . A A . 2 ARG CA 1 1
9 1746 1 1 2 ARG CB C -5.158 -2.678 -1.526 1.00 . A A . 2 ARG CB 1 1
9 1747 1 1 2 ARG CD C -5.893 -5.011 -2.229 1.00 . A A . 2 ARG CD 1 1
9 1748 1 1 2 ARG CG C -6.275 -3.539 -2.125 1.00 . A A . 2 ARG CG 1 1
9 1749 1 1 2 ARG CZ C -4.311 -6.435 -3.559 1.00 . A A . 2 ARG CZ 1 1
9 1750 1 1 2 ARG H H -6.210 -1.653 0.955 1.00 . A A . 2 ARG H 1 1
9 1751 1 1 2 ARG HA H -4.614 -3.962 0.128 1.00 . A A . 2 ARG HA 1 1
9 1752 1 1 2 ARG HB2 H -5.444 -1.645 -1.653 1.00 . A A . 2 ARG HB2 1 1
9 1753 1 1 2 ARG HB3 H -4.254 -2.856 -2.089 1.00 . A A . 2 ARG HB3 1 1
9 1754 1 1 2 ARG HD2 H -5.604 -5.364 -1.253 1.00 . A A . 2 ARG HD2 1 1
9 1755 1 1 2 ARG HD3 H -6.754 -5.566 -2.571 1.00 . A A . 2 ARG HD3 1 1
9 1756 1 1 2 ARG HE H -4.372 -4.412 -3.539 1.00 . A A . 2 ARG HE 1 1
9 1757 1 1 2 ARG HG2 H -7.154 -3.455 -1.503 1.00 . A A . 2 ARG HG2 1 1
9 1758 1 1 2 ARG HG3 H -6.499 -3.166 -3.114 1.00 . A A . 2 ARG HG3 1 1
9 1759 1 1 2 ARG HH11 H -5.633 -7.541 -2.446 1.00 . A A . 2 ARG HH11 1 1
9 1760 1 1 2 ARG HH12 H -4.526 -8.459 -3.356 1.00 . A A . 2 ARG HH12 1 1
9 1761 1 1 2 ARG HH21 H -2.855 -5.713 -4.833 1.00 . A A . 2 ARG HH21 1 1
9 1762 1 1 2 ARG HH22 H -2.945 -7.414 -4.710 1.00 . A A . 2 ARG HH22 1 1
9 1763 1 1 2 ARG N N -6.010 -2.602 0.798 1.00 . A A . 2 ARG N 1 1
9 1764 1 1 2 ARG NE N -4.779 -5.233 -3.176 1.00 . A A . 2 ARG NE 1 1
9 1765 1 1 2 ARG NH1 N -4.860 -7.551 -3.088 1.00 . A A . 2 ARG NH1 1 1
9 1766 1 1 2 ARG NH2 N -3.300 -6.517 -4.428 1.00 . A A . 2 ARG NH2 1 1
9 1767 1 1 2 ARG O O -3.828 -0.848 0.545 1.00 . A A . 2 ARG O 1 1
9 1768 1 1 3 ALA C C -0.125 -2.565 0.423 1.00 . A A . 3 ALA C 1 1
9 1769 1 1 3 ALA CA C -1.333 -1.979 1.082 1.00 . A A . 3 ALA CA 1 1
9 1770 1 1 3 ALA CB C -1.184 -2.054 2.613 1.00 . A A . 3 ALA CB 1 1
9 1771 1 1 3 ALA H H -2.503 -3.636 0.517 1.00 . A A . 3 ALA H 1 1
9 1772 1 1 3 ALA HA H -1.413 -0.942 0.797 1.00 . A A . 3 ALA HA 1 1
9 1773 1 1 3 ALA HB2 H -0.131 -2.076 2.852 1.00 . A A . 3 ALA HB2 1 1
9 1774 1 1 3 ALA HB3 H -1.638 -2.967 2.970 1.00 . A A . 3 ALA HB3 1 1
9 1775 1 1 3 ALA N N -2.552 -2.664 0.642 1.00 . A A . 3 ALA N 1 1
9 1776 1 1 3 ALA O O -0.006 -3.793 0.322 1.00 . A A . 3 ALA O 1 1
9 1777 1 1 4 THR C C 2.974 -2.438 0.441 1.00 . A A . 4 THR C 1 1
9 1778 1 1 4 THR CA C 1.960 -2.180 -0.659 1.00 . A A . 4 THR CA 1 1
9 1779 1 1 4 THR CB C 2.532 -1.156 -1.685 1.00 . A A . 4 THR CB 1 1
9 1780 1 1 4 THR CG2 C 1.583 -0.970 -2.855 1.00 . A A . 4 THR CG2 1 1
9 1781 1 1 4 THR H H 0.596 -0.750 -0.043 1.00 . A A . 4 THR H 1 1
9 1782 1 1 4 THR HA H 1.748 -3.109 -1.169 1.00 . A A . 4 THR HA 1 1
9 1783 1 1 4 THR HB H 3.475 -1.526 -2.057 1.00 . A A . 4 THR HB 1 1
9 1784 1 1 4 THR HG1 H 3.730 0.239 -1.035 1.00 . A A . 4 THR HG1 1 1
9 1785 1 1 4 THR HG21 H 0.630 -0.616 -2.492 1.00 . A A . 4 THR HG21 1 1
9 1786 1 1 4 THR HG22 H 1.448 -1.913 -3.365 1.00 . A A . 4 THR HG22 1 1
9 1787 1 1 4 THR HG23 H 1.996 -0.246 -3.541 1.00 . A A . 4 THR HG23 1 1
9 1788 1 1 4 THR N N 0.747 -1.721 -0.066 1.00 . A A . 4 THR N 1 1
9 1789 1 1 4 THR O O 3.017 -1.709 1.448 1.00 . A A . 4 THR O 1 1
9 1790 1 1 4 THR OG1 O 2.770 0.113 -1.059 1.00 . A A . 4 THR OG1 1 1
9 1791 1 1 5 LYS C C 6.083 -3.170 0.805 1.00 . A A . 5 LYS C 1 1
9 1792 1 1 5 LYS CA C 4.776 -3.802 1.248 1.00 . A A . 5 LYS CA 1 1
9 1793 1 1 5 LYS CB C 4.920 -5.313 1.400 1.00 . A A . 5 LYS CB 1 1
9 1794 1 1 5 LYS CD C 3.852 -7.481 2.078 1.00 . A A . 5 LYS CD 1 1
9 1795 1 1 5 LYS CE C 2.570 -8.143 2.538 1.00 . A A . 5 LYS CE 1 1
9 1796 1 1 5 LYS CG C 3.644 -5.998 1.857 1.00 . A A . 5 LYS CG 1 1
9 1797 1 1 5 LYS H H 3.608 -4.063 -0.490 1.00 . A A . 5 LYS H 1 1
9 1798 1 1 5 LYS HA H 4.485 -3.370 2.192 1.00 . A A . 5 LYS HA 1 1
9 1799 1 1 5 LYS HB2 H 5.208 -5.729 0.446 1.00 . A A . 5 LYS HB2 1 1
9 1800 1 1 5 LYS HB3 H 5.695 -5.519 2.123 1.00 . A A . 5 LYS HB3 1 1
9 1801 1 1 5 LYS HD2 H 4.168 -7.936 1.150 1.00 . A A . 5 LYS HD2 1 1
9 1802 1 1 5 LYS HD3 H 4.615 -7.629 2.828 1.00 . A A . 5 LYS HD3 1 1
9 1803 1 1 5 LYS HE2 H 2.210 -7.616 3.407 1.00 . A A . 5 LYS HE2 1 1
9 1804 1 1 5 LYS HE3 H 1.839 -8.067 1.746 1.00 . A A . 5 LYS HE3 1 1
9 1805 1 1 5 LYS HG2 H 3.317 -5.551 2.783 1.00 . A A . 5 LYS HG2 1 1
9 1806 1 1 5 LYS HG3 H 2.883 -5.856 1.104 1.00 . A A . 5 LYS HG3 1 1
9 1807 1 1 5 LYS HZ1 H 3.127 -10.098 2.062 1.00 . A A . 5 LYS HZ1 1 1
9 1808 1 1 5 LYS HZ2 H 1.872 -9.990 3.179 1.00 . A A . 5 LYS HZ2 1 1
9 1809 1 1 5 LYS HZ3 H 3.447 -9.659 3.663 1.00 . A A . 5 LYS HZ3 1 1
9 1810 1 1 5 LYS N N 3.742 -3.481 0.292 1.00 . A A . 5 LYS N 1 1
9 1811 1 1 5 LYS NZ N 2.770 -9.564 2.877 1.00 . A A . 5 LYS NZ 1 1
9 1812 1 1 5 LYS O O 7.112 -3.239 1.495 1.00 . A A . 5 LYS O 1 1
9 1813 1 1 6 SER C C 7.008 -0.400 -0.609 1.00 . A A . 6 SER C 1 1
9 1814 1 1 6 SER CA C 7.142 -1.885 -0.918 1.00 . A A . 6 SER CA 1 1
9 1815 1 1 6 SER CB C 7.150 -2.110 -2.423 1.00 . A A . 6 SER CB 1 1
9 1816 1 1 6 SER H H 5.192 -2.606 -0.853 1.00 . A A . 6 SER H 1 1
9 1817 1 1 6 SER HA H 8.057 -2.273 -0.495 1.00 . A A . 6 SER HA 1 1
9 1818 1 1 6 SER HB2 H 6.274 -1.644 -2.847 1.00 . A A . 6 SER HB2 1 1
9 1819 1 1 6 SER HB3 H 8.041 -1.671 -2.848 1.00 . A A . 6 SER HB3 1 1
9 1820 1 1 6 SER HG H 7.960 -3.869 -2.412 1.00 . A A . 6 SER HG 1 1
9 1821 1 1 6 SER N N 6.034 -2.575 -0.352 1.00 . A A . 6 SER N 1 1
9 1822 1 1 6 SER O O 5.936 0.191 -0.824 1.00 . A A . 6 SER O 1 1
9 1823 1 1 6 SER OG O 7.123 -3.508 -2.731 1.00 . A A . 6 SER OG 1 1
9 1824 1 1 7 ILE C C 8.479 2.380 -1.009 1.00 . A A . 7 ILE C 1 1
9 1825 1 1 7 ILE CA C 8.129 1.579 0.258 1.00 . A A . 7 ILE CA 1 1
9 1826 1 1 7 ILE CB C 9.202 1.803 1.372 1.00 . A A . 7 ILE CB 1 1
9 1827 1 1 7 ILE CD1 C 9.768 1.141 3.796 1.00 . A A . 7 ILE CD1 1 1
9 1828 1 1 7 ILE CG1 C 8.775 1.063 2.659 1.00 . A A . 7 ILE CG1 1 1
9 1829 1 1 7 ILE CG2 C 9.450 3.288 1.643 1.00 . A A . 7 ILE CG2 1 1
9 1830 1 1 7 ILE H H 8.854 -0.381 0.103 1.00 . A A . 7 ILE H 1 1
9 1831 1 1 7 ILE HA H 7.161 1.890 0.627 1.00 . A A . 7 ILE HA 1 1
9 1832 1 1 7 ILE HB H 10.131 1.374 1.029 1.00 . A A . 7 ILE HB 1 1
9 1833 1 1 7 ILE HD11 H 9.928 2.176 4.060 1.00 . A A . 7 ILE HD11 1 1
9 1834 1 1 7 ILE HD12 H 10.702 0.697 3.487 1.00 . A A . 7 ILE HD12 1 1
9 1835 1 1 7 ILE HD13 H 9.379 0.606 4.650 1.00 . A A . 7 ILE HD13 1 1
9 1836 1 1 7 ILE HG12 H 7.853 1.497 3.016 1.00 . A A . 7 ILE HG12 1 1
9 1837 1 1 7 ILE HG13 H 8.607 0.022 2.426 1.00 . A A . 7 ILE HG13 1 1
9 1838 1 1 7 ILE HG21 H 8.554 3.758 2.018 1.00 . A A . 7 ILE HG21 1 1
9 1839 1 1 7 ILE HG22 H 9.753 3.777 0.729 1.00 . A A . 7 ILE HG22 1 1
9 1840 1 1 7 ILE HG23 H 10.235 3.379 2.377 1.00 . A A . 7 ILE HG23 1 1
9 1841 1 1 7 ILE N N 8.060 0.170 -0.076 1.00 . A A . 7 ILE N 1 1
9 1842 1 1 7 ILE O O 9.377 1.981 -1.750 1.00 . A A . 7 ILE O 1 1
9 1843 1 1 8 PRO C C 5.489 3.294 -0.337 1.00 . A A . 8 PRO C 1 1
9 1844 1 1 8 PRO CA C 6.772 4.133 -0.418 1.00 . A A . 8 PRO CA 1 1
9 1845 1 1 8 PRO CB C 6.475 5.478 -1.109 1.00 . A A . 8 PRO CB 1 1
9 1846 1 1 8 PRO CD C 7.994 4.311 -2.503 1.00 . A A . 8 PRO CD 1 1
9 1847 1 1 8 PRO CG C 7.593 5.678 -2.069 1.00 . A A . 8 PRO CG 1 1
9 1848 1 1 8 PRO HA H 7.166 4.320 0.568 1.00 . A A . 8 PRO HA 1 1
9 1849 1 1 8 PRO HB2 H 5.524 5.418 -1.617 1.00 . A A . 8 PRO HB2 1 1
9 1850 1 1 8 PRO HB3 H 6.445 6.267 -0.372 1.00 . A A . 8 PRO HB3 1 1
9 1851 1 1 8 PRO HD2 H 7.347 3.960 -3.292 1.00 . A A . 8 PRO HD2 1 1
9 1852 1 1 8 PRO HD3 H 9.026 4.291 -2.818 1.00 . A A . 8 PRO HD3 1 1
9 1853 1 1 8 PRO HG2 H 7.258 6.260 -2.914 1.00 . A A . 8 PRO HG2 1 1
9 1854 1 1 8 PRO HG3 H 8.419 6.173 -1.577 1.00 . A A . 8 PRO HG3 1 1
9 1855 1 1 8 PRO N N 7.806 3.525 -1.286 1.00 . A A . 8 PRO N 1 1
9 1856 1 1 8 PRO O O 4.934 2.897 -1.373 1.00 . A A . 8 PRO O 1 1
9 1857 1 1 9 PRO C C 2.560 2.999 0.761 1.00 . A A . 9 PRO C 1 1
9 1858 1 1 9 PRO CA C 3.815 2.203 1.068 1.00 . A A . 9 PRO CA 1 1
9 1859 1 1 9 PRO CB C 3.841 1.795 2.547 1.00 . A A . 9 PRO CB 1 1
9 1860 1 1 9 PRO CD C 5.540 3.445 2.175 1.00 . A A . 9 PRO CD 1 1
9 1861 1 1 9 PRO CG C 5.097 2.368 3.110 1.00 . A A . 9 PRO CG 1 1
9 1862 1 1 9 PRO HA H 3.838 1.323 0.443 1.00 . A A . 9 PRO HA 1 1
9 1863 1 1 9 PRO HB2 H 2.969 2.199 3.039 1.00 . A A . 9 PRO HB2 1 1
9 1864 1 1 9 PRO HB3 H 3.828 0.719 2.624 1.00 . A A . 9 PRO HB3 1 1
9 1865 1 1 9 PRO HD2 H 5.126 4.397 2.472 1.00 . A A . 9 PRO HD2 1 1
9 1866 1 1 9 PRO HD3 H 6.617 3.474 2.166 1.00 . A A . 9 PRO HD3 1 1
9 1867 1 1 9 PRO HG2 H 4.901 2.782 4.089 1.00 . A A . 9 PRO HG2 1 1
9 1868 1 1 9 PRO HG3 H 5.844 1.591 3.177 1.00 . A A . 9 PRO HG3 1 1
9 1869 1 1 9 PRO N N 5.000 3.003 0.887 1.00 . A A . 9 PRO N 1 1
9 1870 1 1 9 PRO O O 2.302 4.061 1.357 1.00 . A A . 9 PRO O 1 1
9 1871 1 1 10 ILE C C -0.521 2.264 -0.070 1.00 . A A . 10 ILE C 1 1
9 1872 1 1 10 ILE CA C 0.600 3.134 -0.576 1.00 . A A . 10 ILE CA 1 1
9 1873 1 1 10 ILE CB C 0.530 3.271 -2.124 1.00 . A A . 10 ILE CB 1 1
9 1874 1 1 10 ILE CD1 C 1.813 4.244 -4.133 1.00 . A A . 10 ILE CD1 1 1
9 1875 1 1 10 ILE CG1 C 1.727 4.106 -2.626 1.00 . A A . 10 ILE CG1 1 1
9 1876 1 1 10 ILE CG2 C -0.793 3.907 -2.550 1.00 . A A . 10 ILE CG2 1 1
9 1877 1 1 10 ILE H H 2.092 1.687 -0.620 1.00 . A A . 10 ILE H 1 1
9 1878 1 1 10 ILE HA H 0.536 4.112 -0.124 1.00 . A A . 10 ILE HA 1 1
9 1879 1 1 10 ILE HB H 0.590 2.284 -2.555 1.00 . A A . 10 ILE HB 1 1
9 1880 1 1 10 ILE HD11 H 0.919 4.725 -4.501 1.00 . A A . 10 ILE HD11 1 1
9 1881 1 1 10 ILE HD12 H 1.907 3.265 -4.580 1.00 . A A . 10 ILE HD12 1 1
9 1882 1 1 10 ILE HD13 H 2.675 4.841 -4.392 1.00 . A A . 10 ILE HD13 1 1
9 1883 1 1 10 ILE HG12 H 1.655 5.101 -2.216 1.00 . A A . 10 ILE HG12 1 1
9 1884 1 1 10 ILE HG13 H 2.642 3.649 -2.279 1.00 . A A . 10 ILE HG13 1 1
9 1885 1 1 10 ILE HG21 H -1.613 3.287 -2.219 1.00 . A A . 10 ILE HG21 1 1
9 1886 1 1 10 ILE HG22 H -0.820 3.993 -3.626 1.00 . A A . 10 ILE HG22 1 1
9 1887 1 1 10 ILE HG23 H -0.882 4.888 -2.109 1.00 . A A . 10 ILE HG23 1 1
9 1888 1 1 10 ILE N N 1.820 2.523 -0.176 1.00 . A A . 10 ILE N 1 1
9 1889 1 1 10 ILE O O -0.536 1.048 -0.331 1.00 . A A . 10 ILE O 1 1
9 1890 1 1 11 ALA C C -3.788 2.616 0.780 1.00 . A A . 11 ALA C 1 1
9 1891 1 1 11 ALA CA C -2.483 2.078 1.240 1.00 . A A . 11 ALA CA 1 1
9 1892 1 1 11 ALA CB C -2.455 1.969 2.769 1.00 . A A . 11 ALA CB 1 1
9 1893 1 1 11 ALA H H -1.328 3.784 0.947 1.00 . A A . 11 ALA H 1 1
9 1894 1 1 11 ALA HA H -2.386 1.080 0.838 1.00 . A A . 11 ALA HA 1 1
9 1895 1 1 11 ALA HB1 H -3.240 1.296 3.078 1.00 . A A . 11 ALA HB1 1 1
9 1896 1 1 11 ALA HB2 H -2.628 2.912 3.258 1.00 . A A . 11 ALA HB2 1 1
9 1897 1 1 11 ALA N N -1.401 2.834 0.712 1.00 . A A . 11 ALA N 1 1
9 1898 1 1 11 ALA O O -4.000 3.835 0.720 1.00 . A A . 11 ALA O 1 1
9 1899 1 1 12 PHE C C -6.914 1.534 1.043 1.00 . A A . 12 PHE C 1 1
9 1900 1 1 12 PHE CA C -5.948 2.030 -0.006 1.00 . A A . 12 PHE CA 1 1
9 1901 1 1 12 PHE CB C -6.204 1.296 -1.329 1.00 . A A . 12 PHE CB 1 1
9 1902 1 1 12 PHE CD1 C -4.078 0.700 -2.543 1.00 . A A . 12 PHE CD1 1 1
9 1903 1 1 12 PHE CD2 C -5.274 2.632 -3.247 1.00 . A A . 12 PHE CD2 1 1
9 1904 1 1 12 PHE CE1 C -3.133 0.924 -3.516 1.00 . A A . 12 PHE CE1 1 1
9 1905 1 1 12 PHE CE2 C -4.331 2.860 -4.222 1.00 . A A . 12 PHE CE2 1 1
9 1906 1 1 12 PHE CG C -5.163 1.551 -2.395 1.00 . A A . 12 PHE CG 1 1
9 1907 1 1 12 PHE CZ C -3.260 2.007 -4.359 1.00 . A A . 12 PHE CZ 1 1
9 1908 1 1 12 PHE H H -4.390 0.781 0.569 1.00 . A A . 12 PHE H 1 1
9 1909 1 1 12 PHE HA H -6.040 3.095 -0.156 1.00 . A A . 12 PHE HA 1 1
9 1910 1 1 12 PHE HB2 H -6.229 0.235 -1.137 1.00 . A A . 12 PHE HB2 1 1
9 1911 1 1 12 PHE HB3 H -7.165 1.601 -1.717 1.00 . A A . 12 PHE HB3 1 1
9 1912 1 1 12 PHE HD1 H -3.975 -0.149 -1.884 1.00 . A A . 12 PHE HD1 1 1
9 1913 1 1 12 PHE HD2 H -6.111 3.305 -3.145 1.00 . A A . 12 PHE HD2 1 1
9 1914 1 1 12 PHE HE1 H -2.293 0.255 -3.621 1.00 . A A . 12 PHE HE1 1 1
9 1915 1 1 12 PHE HE2 H -4.435 3.710 -4.881 1.00 . A A . 12 PHE HE2 1 1
9 1916 1 1 12 PHE HZ H -2.519 2.186 -5.124 1.00 . A A . 12 PHE HZ 1 1
9 1917 1 1 12 PHE N N -4.645 1.728 0.464 1.00 . A A . 12 PHE N 1 1
9 1918 1 1 12 PHE O O -6.859 0.339 1.400 1.00 . A A . 12 PHE O 1 1
9 1919 1 1 13 PRO C C -9.688 0.881 2.299 1.00 . A A . 13 PRO C 1 1
9 1920 1 1 13 PRO CA C -8.795 2.086 2.637 1.00 . A A . 13 PRO CA 1 1
9 1921 1 1 13 PRO CB C -9.639 3.355 2.731 1.00 . A A . 13 PRO CB 1 1
9 1922 1 1 13 PRO CD C -7.877 3.857 1.216 1.00 . A A . 13 PRO CD 1 1
9 1923 1 1 13 PRO CG C -8.707 4.436 2.324 1.00 . A A . 13 PRO CG 1 1
9 1924 1 1 13 PRO HA H -8.311 1.906 3.585 1.00 . A A . 13 PRO HA 1 1
9 1925 1 1 13 PRO HB2 H -10.483 3.278 2.060 1.00 . A A . 13 PRO HB2 1 1
9 1926 1 1 13 PRO HB3 H -9.984 3.492 3.745 1.00 . A A . 13 PRO HB3 1 1
9 1927 1 1 13 PRO HD2 H -8.367 3.996 0.264 1.00 . A A . 13 PRO HD2 1 1
9 1928 1 1 13 PRO HD3 H -6.898 4.309 1.213 1.00 . A A . 13 PRO HD3 1 1
9 1929 1 1 13 PRO HG2 H -9.262 5.295 1.977 1.00 . A A . 13 PRO HG2 1 1
9 1930 1 1 13 PRO HG3 H -8.078 4.711 3.158 1.00 . A A . 13 PRO HG3 1 1
9 1931 1 1 13 PRO N N -7.800 2.423 1.574 1.00 . A A . 13 PRO N 1 1
9 1932 1 1 13 PRO O O -10.403 0.359 3.161 1.00 . A A . 13 PRO O 1 1
9 1933 1 1 14 ASP C C -9.823 -1.944 1.225 1.00 . A A . 14 ASP C 1 1
9 1934 1 1 14 ASP CA C -10.336 -0.696 0.523 1.00 . A A . 14 ASP CA 1 1
9 1935 1 1 14 ASP CB C -10.013 -0.842 -0.966 1.00 . A A . 14 ASP CB 1 1
9 1936 1 1 14 ASP CG C -10.359 0.374 -1.781 1.00 . A A . 14 ASP CG 1 1
9 1937 1 1 14 ASP H H -9.130 1.024 0.415 1.00 . A A . 14 ASP H 1 1
9 1938 1 1 14 ASP HA H -11.404 -0.592 0.644 1.00 . A A . 14 ASP HA 1 1
9 1939 1 1 14 ASP HB2 H -8.955 -1.024 -1.075 1.00 . A A . 14 ASP HB2 1 1
9 1940 1 1 14 ASP HB3 H -10.555 -1.688 -1.363 1.00 . A A . 14 ASP HB3 1 1
9 1941 1 1 14 ASP N N -9.650 0.481 1.049 1.00 . A A . 14 ASP N 1 1
9 1942 1 1 14 ASP O O -10.566 -2.891 1.474 1.00 . A A . 14 ASP O 1 1
9 1943 1 1 14 ASP OD1 O -9.664 1.415 -1.647 1.00 . A A . 14 ASP OD1 1 1
9 1944 1 1 14 ASP OD2 O -11.307 0.314 -2.592 1.00 . A A . 14 ASP OD2 1 1
9 1945 2 2 1 . C C -1.810 -0.892 3.350 1.00 . B A . 101 WMH C 1 1
9 1946 2 2 1 . C1 C -1.175 1.434 3.307 1.00 . B A . 101 WMH C1 1 1
9 1947 2 2 1 . C2 C -0.049 2.141 3.574 1.00 . B A . 101 WMH C2 1 1
9 1948 2 2 1 . H1 H -2.287 -1.121 4.286 1.00 . B A . 101 WMH H1 1 1
9 1949 2 2 1 . H2 H -2.584 -0.521 2.698 1.00 . B A . 101 WMH H2 1 1
9 1950 2 2 1 . H5 H 0.066 3.211 3.485 1.00 . B A . 101 WMH H5 1 1
9 1951 2 2 1 . N N -0.924 0.170 3.529 1.00 . B A . 101 WMH N 1 1
9 1952 2 2 1 . N1 N 0.886 1.285 3.964 1.00 . B A . 101 WMH N1 1 1
9 1953 2 2 1 . N2 N 0.405 0.088 3.954 1.00 . B A . 101 WMH N2 1 1
10 1954 1 1 1 GLY C C -6.884 -3.482 1.422 1.00 . A A . 1 GLY C 1 1
10 1955 1 1 1 GLY CA C -8.173 -2.993 2.026 1.00 . A A . 1 GLY CA 1 1
10 1956 1 1 1 GLY H1 H -8.248 -0.999 1.321 1.00 . A A . 1 GLY H1 1 1
10 1957 1 1 1 GLY HA2 H -7.997 -2.689 3.046 1.00 . A A . 1 GLY HA2 1 1
10 1958 1 1 1 GLY HA3 H -8.894 -3.797 2.013 1.00 . A A . 1 GLY HA3 1 1
10 1959 1 1 1 GLY N N -8.703 -1.870 1.285 1.00 . A A . 1 GLY N 1 1
10 1960 1 1 1 GLY O O -6.607 -4.681 1.403 1.00 . A A . 1 GLY O 1 1
10 1961 1 1 2 ARG C C -3.728 -2.041 0.884 1.00 . A A . 2 ARG C 1 1
10 1962 1 1 2 ARG CA C -4.835 -2.866 0.281 1.00 . A A . 2 ARG CA 1 1
10 1963 1 1 2 ARG CB C -4.914 -2.585 -1.216 1.00 . A A . 2 ARG CB 1 1
10 1964 1 1 2 ARG CD C -5.959 -3.067 -3.433 1.00 . A A . 2 ARG CD 1 1
10 1965 1 1 2 ARG CG C -5.754 -3.563 -2.011 1.00 . A A . 2 ARG CG 1 1
10 1966 1 1 2 ARG CZ C -4.614 -1.997 -5.232 1.00 . A A . 2 ARG CZ 1 1
10 1967 1 1 2 ARG H H -6.343 -1.607 1.018 1.00 . A A . 2 ARG H 1 1
10 1968 1 1 2 ARG HA H -4.626 -3.915 0.429 1.00 . A A . 2 ARG HA 1 1
10 1969 1 1 2 ARG HB2 H -5.331 -1.601 -1.363 1.00 . A A . 2 ARG HB2 1 1
10 1970 1 1 2 ARG HB3 H -3.912 -2.597 -1.618 1.00 . A A . 2 ARG HB3 1 1
10 1971 1 1 2 ARG HD2 H -6.430 -3.853 -4.004 1.00 . A A . 2 ARG HD2 1 1
10 1972 1 1 2 ARG HD3 H -6.607 -2.204 -3.410 1.00 . A A . 2 ARG HD3 1 1
10 1973 1 1 2 ARG HE H -3.870 -2.985 -3.644 1.00 . A A . 2 ARG HE 1 1
10 1974 1 1 2 ARG HG2 H -5.252 -4.518 -2.040 1.00 . A A . 2 ARG HG2 1 1
10 1975 1 1 2 ARG HG3 H -6.714 -3.671 -1.530 1.00 . A A . 2 ARG HG3 1 1
10 1976 1 1 2 ARG HH11 H -6.630 -1.829 -5.506 1.00 . A A . 2 ARG HH11 1 1
10 1977 1 1 2 ARG HH12 H -5.685 -1.051 -6.691 1.00 . A A . 2 ARG HH12 1 1
10 1978 1 1 2 ARG HH21 H -2.578 -1.937 -5.257 1.00 . A A . 2 ARG HH21 1 1
10 1979 1 1 2 ARG HH22 H -3.315 -1.153 -6.573 1.00 . A A . 2 ARG HH22 1 1
10 1980 1 1 2 ARG N N -6.096 -2.553 0.925 1.00 . A A . 2 ARG N 1 1
10 1981 1 1 2 ARG NE N -4.698 -2.701 -4.099 1.00 . A A . 2 ARG NE 1 1
10 1982 1 1 2 ARG NH1 N -5.715 -1.607 -5.857 1.00 . A A . 2 ARG NH1 1 1
10 1983 1 1 2 ARG NH2 N -3.428 -1.671 -5.723 1.00 . A A . 2 ARG NH2 1 1
10 1984 1 1 2 ARG O O -3.929 -0.868 1.201 1.00 . A A . 2 ARG O 1 1
10 1985 1 1 3 ALA C C -0.179 -2.614 0.960 1.00 . A A . 3 ALA C 1 1
10 1986 1 1 3 ALA CA C -1.402 -2.014 1.582 1.00 . A A . 3 ALA CA 1 1
10 1987 1 1 3 ALA CB C -1.364 -2.116 3.113 1.00 . A A . 3 ALA CB 1 1
10 1988 1 1 3 ALA H H -2.497 -3.598 0.802 1.00 . A A . 3 ALA H 1 1
10 1989 1 1 3 ALA HA H -1.443 -0.970 1.302 1.00 . A A . 3 ALA HA 1 1
10 1990 1 1 3 ALA HB2 H -0.336 -2.178 3.441 1.00 . A A . 3 ALA HB2 1 1
10 1991 1 1 3 ALA HB3 H -1.887 -3.013 3.402 1.00 . A A . 3 ALA HB3 1 1
10 1992 1 1 3 ALA N N -2.587 -2.651 1.050 1.00 . A A . 3 ALA N 1 1
10 1993 1 1 3 ALA O O -0.068 -3.836 0.847 1.00 . A A . 3 ALA O 1 1
10 1994 1 1 4 THR C C 3.079 -2.333 0.845 1.00 . A A . 4 THR C 1 1
10 1995 1 1 4 THR CA C 1.906 -2.201 -0.119 1.00 . A A . 4 THR CA 1 1
10 1996 1 1 4 THR CB C 2.256 -1.229 -1.262 1.00 . A A . 4 THR CB 1 1
10 1997 1 1 4 THR CG2 C 1.347 -1.445 -2.459 1.00 . A A . 4 THR CG2 1 1
10 1998 1 1 4 THR H H 0.598 -0.806 0.672 1.00 . A A . 4 THR H 1 1
10 1999 1 1 4 THR HA H 1.708 -3.169 -0.558 1.00 . A A . 4 THR HA 1 1
10 2000 1 1 4 THR HB H 3.283 -1.392 -1.557 1.00 . A A . 4 THR HB 1 1
10 2001 1 1 4 THR HG1 H 1.248 0.418 -1.095 1.00 . A A . 4 THR HG1 1 1
10 2002 1 1 4 THR HG21 H 1.619 -0.757 -3.246 1.00 . A A . 4 THR HG21 1 1
10 2003 1 1 4 THR HG22 H 0.325 -1.261 -2.161 1.00 . A A . 4 THR HG22 1 1
10 2004 1 1 4 THR HG23 H 1.444 -2.460 -2.814 1.00 . A A . 4 THR HG23 1 1
10 2005 1 1 4 THR N N 0.717 -1.772 0.544 1.00 . A A . 4 THR N 1 1
10 2006 1 1 4 THR O O 3.208 -1.563 1.805 1.00 . A A . 4 THR O 1 1
10 2007 1 1 4 THR OG1 O 2.115 0.119 -0.794 1.00 . A A . 4 THR OG1 1 1
10 2008 1 1 5 LYS C C 6.319 -3.084 0.555 1.00 . A A . 5 LYS C 1 1
10 2009 1 1 5 LYS CA C 5.119 -3.544 1.369 1.00 . A A . 5 LYS CA 1 1
10 2010 1 1 5 LYS CB C 5.233 -5.015 1.796 1.00 . A A . 5 LYS CB 1 1
10 2011 1 1 5 LYS CD C 4.231 -6.895 3.175 1.00 . A A . 5 LYS CD 1 1
10 2012 1 1 5 LYS CE C 3.185 -7.226 4.233 1.00 . A A . 5 LYS CE 1 1
10 2013 1 1 5 LYS CG C 4.144 -5.429 2.782 1.00 . A A . 5 LYS CG 1 1
10 2014 1 1 5 LYS H H 3.707 -3.935 -0.144 1.00 . A A . 5 LYS H 1 1
10 2015 1 1 5 LYS HA H 5.045 -2.917 2.243 1.00 . A A . 5 LYS HA 1 1
10 2016 1 1 5 LYS HB2 H 5.165 -5.643 0.920 1.00 . A A . 5 LYS HB2 1 1
10 2017 1 1 5 LYS HB3 H 6.194 -5.171 2.264 1.00 . A A . 5 LYS HB3 1 1
10 2018 1 1 5 LYS HD2 H 4.060 -7.507 2.302 1.00 . A A . 5 LYS HD2 1 1
10 2019 1 1 5 LYS HD3 H 5.215 -7.097 3.574 1.00 . A A . 5 LYS HD3 1 1
10 2020 1 1 5 LYS HE2 H 3.402 -6.650 5.120 1.00 . A A . 5 LYS HE2 1 1
10 2021 1 1 5 LYS HE3 H 2.215 -6.944 3.853 1.00 . A A . 5 LYS HE3 1 1
10 2022 1 1 5 LYS HG2 H 4.241 -4.828 3.674 1.00 . A A . 5 LYS HG2 1 1
10 2023 1 1 5 LYS HG3 H 3.182 -5.238 2.332 1.00 . A A . 5 LYS HG3 1 1
10 2024 1 1 5 LYS HZ1 H 4.112 -8.985 4.886 1.00 . A A . 5 LYS HZ1 1 1
10 2025 1 1 5 LYS HZ2 H 2.814 -9.257 3.820 1.00 . A A . 5 LYS HZ2 1 1
10 2026 1 1 5 LYS HZ3 H 2.531 -8.793 5.406 1.00 . A A . 5 LYS HZ3 1 1
10 2027 1 1 5 LYS N N 3.910 -3.323 0.596 1.00 . A A . 5 LYS N 1 1
10 2028 1 1 5 LYS NZ N 3.169 -8.660 4.595 1.00 . A A . 5 LYS NZ 1 1
10 2029 1 1 5 LYS O O 7.481 -3.312 0.904 1.00 . A A . 5 LYS O 1 1
10 2030 1 1 6 SER C C 7.251 -0.412 -0.885 1.00 . A A . 6 SER C 1 1
10 2031 1 1 6 SER CA C 6.976 -1.827 -1.399 1.00 . A A . 6 SER CA 1 1
10 2032 1 1 6 SER CB C 6.395 -1.784 -2.811 1.00 . A A . 6 SER CB 1 1
10 2033 1 1 6 SER H H 5.061 -2.338 -0.760 1.00 . A A . 6 SER H 1 1
10 2034 1 1 6 SER HA H 7.880 -2.414 -1.393 1.00 . A A . 6 SER HA 1 1
10 2035 1 1 6 SER HB2 H 5.529 -1.138 -2.820 1.00 . A A . 6 SER HB2 1 1
10 2036 1 1 6 SER HB3 H 7.132 -1.408 -3.505 1.00 . A A . 6 SER HB3 1 1
10 2037 1 1 6 SER HG H 6.808 -3.595 -3.356 1.00 . A A . 6 SER HG 1 1
10 2038 1 1 6 SER N N 6.009 -2.429 -0.533 1.00 . A A . 6 SER N 1 1
10 2039 1 1 6 SER O O 6.577 0.054 0.041 1.00 . A A . 6 SER O 1 1
10 2040 1 1 6 SER OG O 5.999 -3.086 -3.221 1.00 . A A . 6 SER OG 1 1
10 2041 1 1 7 ILE C C 8.030 2.575 -2.086 1.00 . A A . 7 ILE C 1 1
10 2042 1 1 7 ILE CA C 8.532 1.603 -1.020 1.00 . A A . 7 ILE CA 1 1
10 2043 1 1 7 ILE CB C 10.059 1.813 -0.840 1.00 . A A . 7 ILE CB 1 1
10 2044 1 1 7 ILE CD1 C 10.110 0.790 1.516 1.00 . A A . 7 ILE CD1 1 1
10 2045 1 1 7 ILE CG1 C 10.670 0.767 0.114 1.00 . A A . 7 ILE CG1 1 1
10 2046 1 1 7 ILE CG2 C 10.341 3.223 -0.332 1.00 . A A . 7 ILE CG2 1 1
10 2047 1 1 7 ILE H H 8.748 -0.148 -2.168 1.00 . A A . 7 ILE H 1 1
10 2048 1 1 7 ILE HA H 8.030 1.775 -0.081 1.00 . A A . 7 ILE HA 1 1
10 2049 1 1 7 ILE HB H 10.520 1.715 -1.812 1.00 . A A . 7 ILE HB 1 1
10 2050 1 1 7 ILE HD11 H 9.051 0.587 1.473 1.00 . A A . 7 ILE HD11 1 1
10 2051 1 1 7 ILE HD12 H 10.272 1.767 1.945 1.00 . A A . 7 ILE HD12 1 1
10 2052 1 1 7 ILE HD13 H 10.600 0.041 2.119 1.00 . A A . 7 ILE HD13 1 1
10 2053 1 1 7 ILE HG12 H 10.487 -0.218 -0.287 1.00 . A A . 7 ILE HG12 1 1
10 2054 1 1 7 ILE HG13 H 11.736 0.929 0.178 1.00 . A A . 7 ILE HG13 1 1
10 2055 1 1 7 ILE HG21 H 9.973 3.947 -1.044 1.00 . A A . 7 ILE HG21 1 1
10 2056 1 1 7 ILE HG22 H 11.406 3.347 -0.203 1.00 . A A . 7 ILE HG22 1 1
10 2057 1 1 7 ILE HG23 H 9.849 3.367 0.618 1.00 . A A . 7 ILE HG23 1 1
10 2058 1 1 7 ILE N N 8.222 0.256 -1.443 1.00 . A A . 7 ILE N 1 1
10 2059 1 1 7 ILE O O 8.441 2.469 -3.247 1.00 . A A . 7 ILE O 1 1
10 2060 1 1 8 PRO C C 5.412 2.948 -0.056 1.00 . A A . 8 PRO C 1 1
10 2061 1 1 8 PRO CA C 6.685 3.760 -0.375 1.00 . A A . 8 PRO CA 1 1
10 2062 1 1 8 PRO CB C 6.365 5.251 -0.392 1.00 . A A . 8 PRO CB 1 1
10 2063 1 1 8 PRO CD C 6.599 4.533 -2.675 1.00 . A A . 8 PRO CD 1 1
10 2064 1 1 8 PRO CG C 5.884 5.515 -1.777 1.00 . A A . 8 PRO CG 1 1
10 2065 1 1 8 PRO HA H 7.444 3.567 0.369 1.00 . A A . 8 PRO HA 1 1
10 2066 1 1 8 PRO HB2 H 5.603 5.462 0.343 1.00 . A A . 8 PRO HB2 1 1
10 2067 1 1 8 PRO HB3 H 7.257 5.820 -0.172 1.00 . A A . 8 PRO HB3 1 1
10 2068 1 1 8 PRO HD2 H 5.904 4.061 -3.352 1.00 . A A . 8 PRO HD2 1 1
10 2069 1 1 8 PRO HD3 H 7.382 5.029 -3.227 1.00 . A A . 8 PRO HD3 1 1
10 2070 1 1 8 PRO HG2 H 4.816 5.355 -1.824 1.00 . A A . 8 PRO HG2 1 1
10 2071 1 1 8 PRO HG3 H 6.121 6.528 -2.063 1.00 . A A . 8 PRO HG3 1 1
10 2072 1 1 8 PRO N N 7.172 3.543 -1.740 1.00 . A A . 8 PRO N 1 1
10 2073 1 1 8 PRO O O 4.686 2.519 -0.973 1.00 . A A . 8 PRO O 1 1
10 2074 1 1 9 PRO C C 2.702 2.856 1.494 1.00 . A A . 9 PRO C 1 1
10 2075 1 1 9 PRO CA C 3.952 1.989 1.658 1.00 . A A . 9 PRO CA 1 1
10 2076 1 1 9 PRO CB C 4.204 1.659 3.131 1.00 . A A . 9 PRO CB 1 1
10 2077 1 1 9 PRO CD C 6.009 3.057 2.381 1.00 . A A . 9 PRO CD 1 1
10 2078 1 1 9 PRO CG C 5.198 2.671 3.585 1.00 . A A . 9 PRO CG 1 1
10 2079 1 1 9 PRO HA H 3.822 1.077 1.090 1.00 . A A . 9 PRO HA 1 1
10 2080 1 1 9 PRO HB2 H 3.275 1.737 3.677 1.00 . A A . 9 PRO HB2 1 1
10 2081 1 1 9 PRO HB3 H 4.592 0.656 3.218 1.00 . A A . 9 PRO HB3 1 1
10 2082 1 1 9 PRO HD2 H 6.210 4.118 2.384 1.00 . A A . 9 PRO HD2 1 1
10 2083 1 1 9 PRO HD3 H 6.934 2.499 2.351 1.00 . A A . 9 PRO HD3 1 1
10 2084 1 1 9 PRO HG2 H 4.679 3.534 3.973 1.00 . A A . 9 PRO HG2 1 1
10 2085 1 1 9 PRO HG3 H 5.835 2.243 4.345 1.00 . A A . 9 PRO HG3 1 1
10 2086 1 1 9 PRO N N 5.146 2.696 1.238 1.00 . A A . 9 PRO N 1 1
10 2087 1 1 9 PRO O O 2.449 3.804 2.276 1.00 . A A . 9 PRO O 1 1
10 2088 1 1 10 ILE C C -0.382 2.339 0.481 1.00 . A A . 10 ILE C 1 1
10 2089 1 1 10 ILE CA C 0.759 3.270 0.142 1.00 . A A . 10 ILE CA 1 1
10 2090 1 1 10 ILE CB C 0.686 3.638 -1.368 1.00 . A A . 10 ILE CB 1 1
10 2091 1 1 10 ILE CD1 C 1.963 4.818 -3.247 1.00 . A A . 10 ILE CD1 1 1
10 2092 1 1 10 ILE CG1 C 1.899 4.486 -1.770 1.00 . A A . 10 ILE CG1 1 1
10 2093 1 1 10 ILE CG2 C -0.615 4.387 -1.675 1.00 . A A . 10 ILE CG2 1 1
10 2094 1 1 10 ILE H H 2.281 1.855 -0.136 1.00 . A A . 10 ILE H 1 1
10 2095 1 1 10 ILE HA H 0.696 4.169 0.737 1.00 . A A . 10 ILE HA 1 1
10 2096 1 1 10 ILE HB H 0.690 2.723 -1.943 1.00 . A A . 10 ILE HB 1 1
10 2097 1 1 10 ILE HD11 H 2.009 3.907 -3.823 1.00 . A A . 10 ILE HD11 1 1
10 2098 1 1 10 ILE HD12 H 2.844 5.412 -3.445 1.00 . A A . 10 ILE HD12 1 1
10 2099 1 1 10 ILE HD13 H 1.082 5.375 -3.529 1.00 . A A . 10 ILE HD13 1 1
10 2100 1 1 10 ILE HG12 H 1.862 5.420 -1.231 1.00 . A A . 10 ILE HG12 1 1
10 2101 1 1 10 ILE HG13 H 2.802 3.958 -1.502 1.00 . A A . 10 ILE HG13 1 1
10 2102 1 1 10 ILE HG21 H -0.651 4.637 -2.726 1.00 . A A . 10 ILE HG21 1 1
10 2103 1 1 10 ILE HG22 H -0.658 5.294 -1.090 1.00 . A A . 10 ILE HG22 1 1
10 2104 1 1 10 ILE HG23 H -1.459 3.762 -1.425 1.00 . A A . 10 ILE HG23 1 1
10 2105 1 1 10 ILE N N 1.980 2.584 0.454 1.00 . A A . 10 ILE N 1 1
10 2106 1 1 10 ILE O O -0.356 1.148 0.107 1.00 . A A . 10 ILE O 1 1
10 2107 1 1 11 ALA C C -3.704 2.576 0.969 1.00 . A A . 11 ALA C 1 1
10 2108 1 1 11 ALA CA C -2.457 2.038 1.590 1.00 . A A . 11 ALA CA 1 1
10 2109 1 1 11 ALA CB C -2.595 1.923 3.113 1.00 . A A . 11 ALA CB 1 1
10 2110 1 1 11 ALA H H -1.316 3.773 1.494 1.00 . A A . 11 ALA H 1 1
10 2111 1 1 11 ALA HA H -2.290 1.043 1.197 1.00 . A A . 11 ALA HA 1 1
10 2112 1 1 11 ALA HB1 H -3.409 1.250 3.336 1.00 . A A . 11 ALA HB1 1 1
10 2113 1 1 11 ALA HB2 H -2.817 2.865 3.581 1.00 . A A . 11 ALA HB2 1 1
10 2114 1 1 11 ALA N N -1.342 2.833 1.209 1.00 . A A . 11 ALA N 1 1
10 2115 1 1 11 ALA O O -3.838 3.790 0.758 1.00 . A A . 11 ALA O 1 1
10 2116 1 1 12 PHE C C -6.946 1.556 0.911 1.00 . A A . 12 PHE C 1 1
10 2117 1 1 12 PHE CA C -5.824 2.025 0.013 1.00 . A A . 12 PHE CA 1 1
10 2118 1 1 12 PHE CB C -5.931 1.338 -1.363 1.00 . A A . 12 PHE CB 1 1
10 2119 1 1 12 PHE CD1 C -4.847 2.806 -3.094 1.00 . A A . 12 PHE CD1 1 1
10 2120 1 1 12 PHE CD2 C -3.694 0.835 -2.406 1.00 . A A . 12 PHE CD2 1 1
10 2121 1 1 12 PHE CE1 C -3.810 3.110 -3.953 1.00 . A A . 12 PHE CE1 1 1
10 2122 1 1 12 PHE CE2 C -2.658 1.136 -3.264 1.00 . A A . 12 PHE CE2 1 1
10 2123 1 1 12 PHE CG C -4.803 1.666 -2.310 1.00 . A A . 12 PHE CG 1 1
10 2124 1 1 12 PHE CZ C -2.714 2.274 -4.037 1.00 . A A . 12 PHE CZ 1 1
10 2125 1 1 12 PHE H H -4.406 0.753 0.878 1.00 . A A . 12 PHE H 1 1
10 2126 1 1 12 PHE HA H -5.870 3.096 -0.113 1.00 . A A . 12 PHE HA 1 1
10 2127 1 1 12 PHE HB2 H -5.952 0.269 -1.220 1.00 . A A . 12 PHE HB2 1 1
10 2128 1 1 12 PHE HB3 H -6.857 1.641 -1.830 1.00 . A A . 12 PHE HB3 1 1
10 2129 1 1 12 PHE HD1 H -5.702 3.465 -3.031 1.00 . A A . 12 PHE HD1 1 1
10 2130 1 1 12 PHE HD2 H -3.642 -0.060 -1.805 1.00 . A A . 12 PHE HD2 1 1
10 2131 1 1 12 PHE HE1 H -3.856 4.002 -4.560 1.00 . A A . 12 PHE HE1 1 1
10 2132 1 1 12 PHE HE2 H -1.802 0.478 -3.326 1.00 . A A . 12 PHE HE2 1 1
10 2133 1 1 12 PHE HZ H -1.901 2.514 -4.709 1.00 . A A . 12 PHE HZ 1 1
10 2134 1 1 12 PHE N N -4.585 1.697 0.651 1.00 . A A . 12 PHE N 1 1
10 2135 1 1 12 PHE O O -6.924 0.395 1.363 1.00 . A A . 12 PHE O 1 1
10 2136 1 1 13 PRO C C -9.901 0.899 1.630 1.00 . A A . 13 PRO C 1 1
10 2137 1 1 13 PRO CA C -9.079 2.112 2.096 1.00 . A A . 13 PRO CA 1 1
10 2138 1 1 13 PRO CB C -9.936 3.388 2.071 1.00 . A A . 13 PRO CB 1 1
10 2139 1 1 13 PRO CD C -8.069 3.792 0.634 1.00 . A A . 13 PRO CD 1 1
10 2140 1 1 13 PRO CG C -9.519 4.110 0.837 1.00 . A A . 13 PRO CG 1 1
10 2141 1 1 13 PRO HA H -8.727 1.926 3.101 1.00 . A A . 13 PRO HA 1 1
10 2142 1 1 13 PRO HB2 H -10.982 3.119 2.041 1.00 . A A . 13 PRO HB2 1 1
10 2143 1 1 13 PRO HB3 H -9.738 3.975 2.957 1.00 . A A . 13 PRO HB3 1 1
10 2144 1 1 13 PRO HD2 H -7.829 3.810 -0.419 1.00 . A A . 13 PRO HD2 1 1
10 2145 1 1 13 PRO HD3 H -7.447 4.487 1.179 1.00 . A A . 13 PRO HD3 1 1
10 2146 1 1 13 PRO HG2 H -10.098 3.759 -0.004 1.00 . A A . 13 PRO HG2 1 1
10 2147 1 1 13 PRO HG3 H -9.655 5.174 0.968 1.00 . A A . 13 PRO HG3 1 1
10 2148 1 1 13 PRO N N -7.946 2.427 1.189 1.00 . A A . 13 PRO N 1 1
10 2149 1 1 13 PRO O O -10.736 0.377 2.365 1.00 . A A . 13 PRO O 1 1
10 2150 1 1 14 ASP C C -9.805 -1.979 0.562 1.00 . A A . 14 ASP C 1 1
10 2151 1 1 14 ASP CA C -10.253 -0.721 -0.179 1.00 . A A . 14 ASP CA 1 1
10 2152 1 1 14 ASP CB C -9.849 -0.865 -1.650 1.00 . A A . 14 ASP CB 1 1
10 2153 1 1 14 ASP CG C -10.199 0.325 -2.509 1.00 . A A . 14 ASP CG 1 1
10 2154 1 1 14 ASP H H -8.994 0.976 -0.125 1.00 . A A . 14 ASP H 1 1
10 2155 1 1 14 ASP HA H -11.325 -0.620 -0.118 1.00 . A A . 14 ASP HA 1 1
10 2156 1 1 14 ASP HB2 H -8.781 -1.012 -1.706 1.00 . A A . 14 ASP HB2 1 1
10 2157 1 1 14 ASP HB3 H -10.336 -1.738 -2.060 1.00 . A A . 14 ASP HB3 1 1
10 2158 1 1 14 ASP N N -9.634 0.457 0.409 1.00 . A A . 14 ASP N 1 1
10 2159 1 1 14 ASP O O -10.443 -3.033 0.465 1.00 . A A . 14 ASP O 1 1
10 2160 1 1 14 ASP OD1 O -9.360 1.248 -2.624 1.00 . A A . 14 ASP OD1 1 1
10 2161 1 1 14 ASP OD2 O -11.286 0.330 -3.135 1.00 . A A . 14 ASP OD2 1 1
10 2162 2 2 1 . C C -2.022 -0.942 3.813 1.00 . B A . 101 WMH C 1 1
10 2163 2 2 1 . C1 C -1.365 1.379 3.776 1.00 . B A . 101 WMH C1 1 1
10 2164 2 2 1 . C2 C -0.248 2.071 4.117 1.00 . B A . 101 WMH C2 1 1
10 2165 2 2 1 . H1 H -2.575 -1.148 4.711 1.00 . B A . 101 WMH H1 1 1
10 2166 2 2 1 . H2 H -2.743 -0.567 3.104 1.00 . B A . 101 WMH H2 1 1
10 2167 2 2 1 . H5 H -0.107 3.137 4.024 1.00 . B A . 101 WMH H5 1 1
10 2168 2 2 1 . N N -1.146 0.112 4.037 1.00 . B A . 101 WMH N 1 1
10 2169 2 2 1 . N1 N 0.642 1.207 4.586 1.00 . B A . 101 WMH N1 1 1
10 2170 2 2 1 . N2 N 0.145 0.016 4.559 1.00 . B A . 101 WMH N2 1 1
11 2171 1 1 1 GLY C C -6.742 -3.294 1.981 1.00 . A A . 1 GLY C 1 1
11 2172 1 1 1 GLY CA C -7.936 -2.659 2.616 1.00 . A A . 1 GLY CA 1 1
11 2173 1 1 1 GLY H1 H -8.154 -0.788 1.677 1.00 . A A . 1 GLY H1 1 1
11 2174 1 1 1 GLY HA2 H -7.644 -2.162 3.529 1.00 . A A . 1 GLY HA2 1 1
11 2175 1 1 1 GLY HA3 H -8.661 -3.425 2.843 1.00 . A A . 1 GLY HA3 1 1
11 2176 1 1 1 GLY N N -8.519 -1.701 1.720 1.00 . A A . 1 GLY N 1 1
11 2177 1 1 1 GLY O O -6.441 -4.471 2.212 1.00 . A A . 1 GLY O 1 1
11 2178 1 1 2 ARG C C -3.722 -2.129 0.777 1.00 . A A . 2 ARG C 1 1
11 2179 1 1 2 ARG CA C -4.920 -2.982 0.425 1.00 . A A . 2 ARG CA 1 1
11 2180 1 1 2 ARG CB C -5.197 -2.891 -1.076 1.00 . A A . 2 ARG CB 1 1
11 2181 1 1 2 ARG CD C -6.674 -3.465 -3.032 1.00 . A A . 2 ARG CD 1 1
11 2182 1 1 2 ARG CG C -6.401 -3.692 -1.550 1.00 . A A . 2 ARG CG 1 1
11 2183 1 1 2 ARG CZ C -5.598 -4.018 -5.210 1.00 . A A . 2 ARG CZ 1 1
11 2184 1 1 2 ARG H H -6.312 -1.571 1.094 1.00 . A A . 2 ARG H 1 1
11 2185 1 1 2 ARG HA H -4.732 -4.010 0.692 1.00 . A A . 2 ARG HA 1 1
11 2186 1 1 2 ARG HB2 H -5.353 -1.858 -1.346 1.00 . A A . 2 ARG HB2 1 1
11 2187 1 1 2 ARG HB3 H -4.326 -3.261 -1.594 1.00 . A A . 2 ARG HB3 1 1
11 2188 1 1 2 ARG HD2 H -7.550 -4.027 -3.313 1.00 . A A . 2 ARG HD2 1 1
11 2189 1 1 2 ARG HD3 H -6.860 -2.413 -3.191 1.00 . A A . 2 ARG HD3 1 1
11 2190 1 1 2 ARG HE H -4.712 -4.085 -3.404 1.00 . A A . 2 ARG HE 1 1
11 2191 1 1 2 ARG HG2 H -6.208 -4.743 -1.387 1.00 . A A . 2 ARG HG2 1 1
11 2192 1 1 2 ARG HG3 H -7.268 -3.391 -0.980 1.00 . A A . 2 ARG HG3 1 1
11 2193 1 1 2 ARG HH11 H -7.520 -3.338 -5.425 1.00 . A A . 2 ARG HH11 1 1
11 2194 1 1 2 ARG HH12 H -6.754 -3.770 -6.878 1.00 . A A . 2 ARG HH12 1 1
11 2195 1 1 2 ARG HH21 H -3.686 -4.724 -5.391 1.00 . A A . 2 ARG HH21 1 1
11 2196 1 1 2 ARG HH22 H -4.524 -4.603 -6.862 1.00 . A A . 2 ARG HH22 1 1
11 2197 1 1 2 ARG N N -6.062 -2.518 1.171 1.00 . A A . 2 ARG N 1 1
11 2198 1 1 2 ARG NE N -5.552 -3.884 -3.879 1.00 . A A . 2 ARG NE 1 1
11 2199 1 1 2 ARG NH1 N -6.698 -3.691 -5.879 1.00 . A A . 2 ARG NH1 1 1
11 2200 1 1 2 ARG NH2 N -4.536 -4.473 -5.867 1.00 . A A . 2 ARG NH2 1 1
11 2201 1 1 2 ARG O O -3.828 -0.906 0.820 1.00 . A A . 2 ARG O 1 1
11 2202 1 1 3 ALA C C -0.209 -2.702 0.743 1.00 . A A . 3 ALA C 1 1
11 2203 1 1 3 ALA CA C -1.398 -2.084 1.431 1.00 . A A . 3 ALA CA 1 1
11 2204 1 1 3 ALA CB C -1.252 -2.116 2.958 1.00 . A A . 3 ALA CB 1 1
11 2205 1 1 3 ALA H H -2.582 -3.735 0.979 1.00 . A A . 3 ALA H 1 1
11 2206 1 1 3 ALA HA H -1.475 -1.054 1.116 1.00 . A A . 3 ALA HA 1 1
11 2207 1 1 3 ALA HB2 H -0.201 -2.139 3.205 1.00 . A A . 3 ALA HB2 1 1
11 2208 1 1 3 ALA HB3 H -1.724 -3.008 3.342 1.00 . A A . 3 ALA HB3 1 1
11 2209 1 1 3 ALA N N -2.620 -2.756 1.044 1.00 . A A . 3 ALA N 1 1
11 2210 1 1 3 ALA O O -0.110 -3.924 0.652 1.00 . A A . 3 ALA O 1 1
11 2211 1 1 4 THR C C 2.976 -2.580 0.511 1.00 . A A . 4 THR C 1 1
11 2212 1 1 4 THR CA C 1.820 -2.361 -0.464 1.00 . A A . 4 THR CA 1 1
11 2213 1 1 4 THR CB C 2.245 -1.384 -1.596 1.00 . A A . 4 THR CB 1 1
11 2214 1 1 4 THR CG2 C 1.135 -1.249 -2.629 1.00 . A A . 4 THR CG2 1 1
11 2215 1 1 4 THR H H 0.552 -0.905 0.291 1.00 . A A . 4 THR H 1 1
11 2216 1 1 4 THR HA H 1.559 -3.309 -0.912 1.00 . A A . 4 THR HA 1 1
11 2217 1 1 4 THR HB H 3.128 -1.776 -2.079 1.00 . A A . 4 THR HB 1 1
11 2218 1 1 4 THR HG1 H 3.387 0.179 -1.447 1.00 . A A . 4 THR HG1 1 1
11 2219 1 1 4 THR HG21 H 0.916 -2.216 -3.053 1.00 . A A . 4 THR HG21 1 1
11 2220 1 1 4 THR HG22 H 1.448 -0.572 -3.411 1.00 . A A . 4 THR HG22 1 1
11 2221 1 1 4 THR HG23 H 0.250 -0.858 -2.148 1.00 . A A . 4 THR HG23 1 1
11 2222 1 1 4 THR N N 0.665 -1.878 0.226 1.00 . A A . 4 THR N 1 1
11 2223 1 1 4 THR O O 3.050 -1.933 1.580 1.00 . A A . 4 THR O 1 1
11 2224 1 1 4 THR OG1 O 2.541 -0.080 -1.056 1.00 . A A . 4 THR OG1 1 1
11 2225 1 1 5 LYS C C 6.205 -3.047 0.398 1.00 . A A . 5 LYS C 1 1
11 2226 1 1 5 LYS CA C 5.013 -3.774 0.988 1.00 . A A . 5 LYS CA 1 1
11 2227 1 1 5 LYS CB C 5.297 -5.271 1.081 1.00 . A A . 5 LYS CB 1 1
11 2228 1 1 5 LYS CD C 4.551 -7.550 1.881 1.00 . A A . 5 LYS CD 1 1
11 2229 1 1 5 LYS CE C 5.788 -7.790 2.751 1.00 . A A . 5 LYS CE 1 1
11 2230 1 1 5 LYS CG C 4.197 -6.070 1.767 1.00 . A A . 5 LYS CG 1 1
11 2231 1 1 5 LYS H H 3.683 -4.053 -0.617 1.00 . A A . 5 LYS H 1 1
11 2232 1 1 5 LYS HA H 4.826 -3.386 1.977 1.00 . A A . 5 LYS HA 1 1
11 2233 1 1 5 LYS HB2 H 5.433 -5.664 0.084 1.00 . A A . 5 LYS HB2 1 1
11 2234 1 1 5 LYS HB3 H 6.211 -5.401 1.639 1.00 . A A . 5 LYS HB3 1 1
11 2235 1 1 5 LYS HD2 H 3.716 -8.072 2.326 1.00 . A A . 5 LYS HD2 1 1
11 2236 1 1 5 LYS HD3 H 4.734 -7.942 0.892 1.00 . A A . 5 LYS HD3 1 1
11 2237 1 1 5 LYS HE2 H 6.002 -8.847 2.767 1.00 . A A . 5 LYS HE2 1 1
11 2238 1 1 5 LYS HE3 H 6.630 -7.272 2.317 1.00 . A A . 5 LYS HE3 1 1
11 2239 1 1 5 LYS HG2 H 4.037 -5.673 2.758 1.00 . A A . 5 LYS HG2 1 1
11 2240 1 1 5 LYS HG3 H 3.288 -5.970 1.192 1.00 . A A . 5 LYS HG3 1 1
11 2241 1 1 5 LYS HZ1 H 6.449 -7.507 4.710 1.00 . A A . 5 LYS HZ1 1 1
11 2242 1 1 5 LYS HZ2 H 4.807 -7.822 4.600 1.00 . A A . 5 LYS HZ2 1 1
11 2243 1 1 5 LYS HZ3 H 5.406 -6.305 4.178 1.00 . A A . 5 LYS HZ3 1 1
11 2244 1 1 5 LYS N N 3.840 -3.511 0.187 1.00 . A A . 5 LYS N 1 1
11 2245 1 1 5 LYS NZ N 5.596 -7.326 4.143 1.00 . A A . 5 LYS NZ 1 1
11 2246 1 1 5 LYS O O 7.291 -3.058 0.954 1.00 . A A . 5 LYS O 1 1
11 2247 1 1 6 SER C C 7.087 -0.280 -0.767 1.00 . A A . 6 SER C 1 1
11 2248 1 1 6 SER CA C 6.981 -1.659 -1.418 1.00 . A A . 6 SER CA 1 1
11 2249 1 1 6 SER CB C 6.555 -1.502 -2.868 1.00 . A A . 6 SER CB 1 1
11 2250 1 1 6 SER H H 5.089 -2.491 -1.133 1.00 . A A . 6 SER H 1 1
11 2251 1 1 6 SER HA H 7.928 -2.176 -1.378 1.00 . A A . 6 SER HA 1 1
11 2252 1 1 6 SER HB2 H 5.679 -0.872 -2.913 1.00 . A A . 6 SER HB2 1 1
11 2253 1 1 6 SER HB3 H 7.353 -1.056 -3.440 1.00 . A A . 6 SER HB3 1 1
11 2254 1 1 6 SER HG H 7.054 -3.256 -3.442 1.00 . A A . 6 SER HG 1 1
11 2255 1 1 6 SER N N 5.978 -2.430 -0.731 1.00 . A A . 6 SER N 1 1
11 2256 1 1 6 SER O O 6.142 0.174 -0.137 1.00 . A A . 6 SER O 1 1
11 2257 1 1 6 SER OG O 6.226 -2.758 -3.433 1.00 . A A . 6 SER OG 1 1
11 2258 1 1 7 ILE C C 8.194 2.716 -1.500 1.00 . A A . 7 ILE C 1 1
11 2259 1 1 7 ILE CA C 8.421 1.698 -0.372 1.00 . A A . 7 ILE CA 1 1
11 2260 1 1 7 ILE CB C 9.866 1.868 0.210 1.00 . A A . 7 ILE CB 1 1
11 2261 1 1 7 ILE CD1 C 9.204 1.061 2.569 1.00 . A A . 7 ILE CD1 1 1
11 2262 1 1 7 ILE CG1 C 10.121 0.883 1.370 1.00 . A A . 7 ILE CG1 1 1
11 2263 1 1 7 ILE CG2 C 10.129 3.306 0.665 1.00 . A A . 7 ILE CG2 1 1
11 2264 1 1 7 ILE H H 8.956 -0.060 -1.403 1.00 . A A . 7 ILE H 1 1
11 2265 1 1 7 ILE HA H 7.695 1.848 0.411 1.00 . A A . 7 ILE HA 1 1
11 2266 1 1 7 ILE HB H 10.563 1.648 -0.585 1.00 . A A . 7 ILE HB 1 1
11 2267 1 1 7 ILE HD11 H 9.297 2.067 2.950 1.00 . A A . 7 ILE HD11 1 1
11 2268 1 1 7 ILE HD12 H 9.487 0.362 3.341 1.00 . A A . 7 ILE HD12 1 1
11 2269 1 1 7 ILE HD13 H 8.181 0.874 2.275 1.00 . A A . 7 ILE HD13 1 1
11 2270 1 1 7 ILE HG12 H 9.977 -0.123 1.006 1.00 . A A . 7 ILE HG12 1 1
11 2271 1 1 7 ILE HG13 H 11.141 0.993 1.709 1.00 . A A . 7 ILE HG13 1 1
11 2272 1 1 7 ILE HG21 H 11.144 3.394 1.023 1.00 . A A . 7 ILE HG21 1 1
11 2273 1 1 7 ILE HG22 H 9.447 3.559 1.464 1.00 . A A . 7 ILE HG22 1 1
11 2274 1 1 7 ILE HG23 H 9.977 3.978 -0.165 1.00 . A A . 7 ILE HG23 1 1
11 2275 1 1 7 ILE N N 8.223 0.363 -0.908 1.00 . A A . 7 ILE N 1 1
11 2276 1 1 7 ILE O O 8.738 2.542 -2.603 1.00 . A A . 7 ILE O 1 1
11 2277 1 1 8 PRO C C 5.351 3.180 0.027 1.00 . A A . 8 PRO C 1 1
11 2278 1 1 8 PRO CA C 6.657 3.986 -0.025 1.00 . A A . 8 PRO CA 1 1
11 2279 1 1 8 PRO CB C 6.352 5.484 -0.072 1.00 . A A . 8 PRO CB 1 1
11 2280 1 1 8 PRO CD C 7.104 4.828 -2.266 1.00 . A A . 8 PRO CD 1 1
11 2281 1 1 8 PRO CG C 6.225 5.804 -1.523 1.00 . A A . 8 PRO CG 1 1
11 2282 1 1 8 PRO HA H 7.276 3.764 0.830 1.00 . A A . 8 PRO HA 1 1
11 2283 1 1 8 PRO HB2 H 5.433 5.680 0.458 1.00 . A A . 8 PRO HB2 1 1
11 2284 1 1 8 PRO HB3 H 7.163 6.033 0.384 1.00 . A A . 8 PRO HB3 1 1
11 2285 1 1 8 PRO HD2 H 6.582 4.427 -3.122 1.00 . A A . 8 PRO HD2 1 1
11 2286 1 1 8 PRO HD3 H 8.020 5.307 -2.578 1.00 . A A . 8 PRO HD3 1 1
11 2287 1 1 8 PRO HG2 H 5.197 5.683 -1.831 1.00 . A A . 8 PRO HG2 1 1
11 2288 1 1 8 PRO HG3 H 6.552 6.816 -1.707 1.00 . A A . 8 PRO HG3 1 1
11 2289 1 1 8 PRO N N 7.378 3.762 -1.281 1.00 . A A . 8 PRO N 1 1
11 2290 1 1 8 PRO O O 4.668 3.034 -1.000 1.00 . A A . 8 PRO O 1 1
11 2291 1 1 9 PRO C C 2.548 2.687 1.124 1.00 . A A . 9 PRO C 1 1
11 2292 1 1 9 PRO CA C 3.782 1.833 1.336 1.00 . A A . 9 PRO CA 1 1
11 2293 1 1 9 PRO CB C 3.819 1.303 2.768 1.00 . A A . 9 PRO CB 1 1
11 2294 1 1 9 PRO CD C 5.728 2.718 2.463 1.00 . A A . 9 PRO CD 1 1
11 2295 1 1 9 PRO CG C 5.189 1.574 3.269 1.00 . A A . 9 PRO CG 1 1
11 2296 1 1 9 PRO HA H 3.768 1.012 0.634 1.00 . A A . 9 PRO HA 1 1
11 2297 1 1 9 PRO HB2 H 3.074 1.818 3.357 1.00 . A A . 9 PRO HB2 1 1
11 2298 1 1 9 PRO HB3 H 3.600 0.246 2.763 1.00 . A A . 9 PRO HB3 1 1
11 2299 1 1 9 PRO HD2 H 5.524 3.654 2.959 1.00 . A A . 9 PRO HD2 1 1
11 2300 1 1 9 PRO HD3 H 6.788 2.586 2.314 1.00 . A A . 9 PRO HD3 1 1
11 2301 1 1 9 PRO HG2 H 5.123 1.850 4.311 1.00 . A A . 9 PRO HG2 1 1
11 2302 1 1 9 PRO HG3 H 5.805 0.696 3.149 1.00 . A A . 9 PRO HG3 1 1
11 2303 1 1 9 PRO N N 4.993 2.622 1.197 1.00 . A A . 9 PRO N 1 1
11 2304 1 1 9 PRO O O 2.313 3.670 1.853 1.00 . A A . 9 PRO O 1 1
11 2305 1 1 10 ILE C C -0.533 2.227 0.306 1.00 . A A . 10 ILE C 1 1
11 2306 1 1 10 ILE CA C 0.607 3.053 -0.200 1.00 . A A . 10 ILE CA 1 1
11 2307 1 1 10 ILE CB C 0.456 3.257 -1.729 1.00 . A A . 10 ILE CB 1 1
11 2308 1 1 10 ILE CD1 C 1.720 4.046 -3.810 1.00 . A A . 10 ILE CD1 1 1
11 2309 1 1 10 ILE CG1 C 1.732 3.879 -2.306 1.00 . A A . 10 ILE CG1 1 1
11 2310 1 1 10 ILE CG2 C -0.745 4.161 -2.017 1.00 . A A . 10 ILE CG2 1 1
11 2311 1 1 10 ILE H H 2.036 1.553 -0.406 1.00 . A A . 10 ILE H 1 1
11 2312 1 1 10 ILE HA H 0.622 4.010 0.296 1.00 . A A . 10 ILE HA 1 1
11 2313 1 1 10 ILE HB H 0.287 2.296 -2.193 1.00 . A A . 10 ILE HB 1 1
11 2314 1 1 10 ILE HD11 H 2.648 4.495 -4.127 1.00 . A A . 10 ILE HD11 1 1
11 2315 1 1 10 ILE HD12 H 0.894 4.683 -4.091 1.00 . A A . 10 ILE HD12 1 1
11 2316 1 1 10 ILE HD13 H 1.607 3.080 -4.278 1.00 . A A . 10 ILE HD13 1 1
11 2317 1 1 10 ILE HG12 H 1.869 4.855 -1.868 1.00 . A A . 10 ILE HG12 1 1
11 2318 1 1 10 ILE HG13 H 2.575 3.256 -2.044 1.00 . A A . 10 ILE HG13 1 1
11 2319 1 1 10 ILE HG21 H -0.595 5.119 -1.540 1.00 . A A . 10 ILE HG21 1 1
11 2320 1 1 10 ILE HG22 H -1.644 3.705 -1.628 1.00 . A A . 10 ILE HG22 1 1
11 2321 1 1 10 ILE HG23 H -0.845 4.301 -3.082 1.00 . A A . 10 ILE HG23 1 1
11 2322 1 1 10 ILE N N 1.798 2.346 0.125 1.00 . A A . 10 ILE N 1 1
11 2323 1 1 10 ILE O O -0.598 1.015 0.031 1.00 . A A . 10 ILE O 1 1
11 2324 1 1 11 ALA C C -3.771 2.604 1.122 1.00 . A A . 11 ALA C 1 1
11 2325 1 1 11 ALA CA C -2.470 2.093 1.627 1.00 . A A . 11 ALA CA 1 1
11 2326 1 1 11 ALA CB C -2.426 1.991 3.149 1.00 . A A . 11 ALA CB 1 1
11 2327 1 1 11 ALA H H -1.292 3.779 1.282 1.00 . A A . 11 ALA H 1 1
11 2328 1 1 11 ALA HA H -2.363 1.096 1.224 1.00 . A A . 11 ALA HA 1 1
11 2329 1 1 11 ALA HB1 H -3.236 1.357 3.478 1.00 . A A . 11 ALA HB1 1 1
11 2330 1 1 11 ALA HB2 H -2.534 2.949 3.624 1.00 . A A . 11 ALA HB2 1 1
11 2331 1 1 11 ALA N N -1.386 2.822 1.083 1.00 . A A . 11 ALA N 1 1
11 2332 1 1 11 ALA O O -4.134 3.775 1.314 1.00 . A A . 11 ALA O 1 1
11 2333 1 1 12 PHE C C -6.851 1.629 0.739 1.00 . A A . 12 PHE C 1 1
11 2334 1 1 12 PHE CA C -5.698 1.994 -0.167 1.00 . A A . 12 PHE CA 1 1
11 2335 1 1 12 PHE CB C -5.772 1.163 -1.460 1.00 . A A . 12 PHE CB 1 1
11 2336 1 1 12 PHE CD1 C -3.546 0.350 -2.313 1.00 . A A . 12 PHE CD1 1 1
11 2337 1 1 12 PHE CD2 C -4.421 2.375 -3.204 1.00 . A A . 12 PHE CD2 1 1
11 2338 1 1 12 PHE CE1 C -2.431 0.472 -3.111 1.00 . A A . 12 PHE CE1 1 1
11 2339 1 1 12 PHE CE2 C -3.307 2.502 -4.008 1.00 . A A . 12 PHE CE2 1 1
11 2340 1 1 12 PHE CG C -4.557 1.299 -2.348 1.00 . A A . 12 PHE CG 1 1
11 2341 1 1 12 PHE CZ C -2.308 1.548 -3.960 1.00 . A A . 12 PHE CZ 1 1
11 2342 1 1 12 PHE H H -4.155 0.786 0.576 1.00 . A A . 12 PHE H 1 1
11 2343 1 1 12 PHE HA H -5.728 3.043 -0.419 1.00 . A A . 12 PHE HA 1 1
11 2344 1 1 12 PHE HB2 H -5.880 0.122 -1.199 1.00 . A A . 12 PHE HB2 1 1
11 2345 1 1 12 PHE HB3 H -6.638 1.472 -2.026 1.00 . A A . 12 PHE HB3 1 1
11 2346 1 1 12 PHE HD1 H -3.634 -0.498 -1.648 1.00 . A A . 12 PHE HD1 1 1
11 2347 1 1 12 PHE HD2 H -5.198 3.121 -3.244 1.00 . A A . 12 PHE HD2 1 1
11 2348 1 1 12 PHE HE1 H -1.655 -0.277 -3.069 1.00 . A A . 12 PHE HE1 1 1
11 2349 1 1 12 PHE HE2 H -3.217 3.349 -4.672 1.00 . A A . 12 PHE HE2 1 1
11 2350 1 1 12 PHE HZ H -1.433 1.646 -4.585 1.00 . A A . 12 PHE HZ 1 1
11 2351 1 1 12 PHE N N -4.473 1.719 0.518 1.00 . A A . 12 PHE N 1 1
11 2352 1 1 12 PHE O O -6.841 0.530 1.316 1.00 . A A . 12 PHE O 1 1
11 2353 1 1 13 PRO C C -9.743 0.992 1.566 1.00 . A A . 13 PRO C 1 1
11 2354 1 1 13 PRO CA C -9.048 2.346 1.767 1.00 . A A . 13 PRO CA 1 1
11 2355 1 1 13 PRO CB C -9.975 3.467 1.319 1.00 . A A . 13 PRO CB 1 1
11 2356 1 1 13 PRO CD C -7.883 3.872 0.245 1.00 . A A . 13 PRO CD 1 1
11 2357 1 1 13 PRO CG C -9.055 4.549 0.893 1.00 . A A . 13 PRO CG 1 1
11 2358 1 1 13 PRO HA H -8.807 2.475 2.812 1.00 . A A . 13 PRO HA 1 1
11 2359 1 1 13 PRO HB2 H -10.587 3.118 0.502 1.00 . A A . 13 PRO HB2 1 1
11 2360 1 1 13 PRO HB3 H -10.602 3.779 2.139 1.00 . A A . 13 PRO HB3 1 1
11 2361 1 1 13 PRO HD2 H -8.038 3.778 -0.818 1.00 . A A . 13 PRO HD2 1 1
11 2362 1 1 13 PRO HD3 H -6.979 4.425 0.452 1.00 . A A . 13 PRO HD3 1 1
11 2363 1 1 13 PRO HG2 H -9.549 5.201 0.189 1.00 . A A . 13 PRO HG2 1 1
11 2364 1 1 13 PRO HG3 H -8.732 5.112 1.756 1.00 . A A . 13 PRO HG3 1 1
11 2365 1 1 13 PRO N N -7.847 2.543 0.898 1.00 . A A . 13 PRO N 1 1
11 2366 1 1 13 PRO O O -10.425 0.493 2.461 1.00 . A A . 13 PRO O 1 1
11 2367 1 1 14 ASP C C -9.541 -2.018 0.947 1.00 . A A . 14 ASP C 1 1
11 2368 1 1 14 ASP CA C -10.066 -0.920 0.020 1.00 . A A . 14 ASP CA 1 1
11 2369 1 1 14 ASP CB C -9.644 -1.275 -1.412 1.00 . A A . 14 ASP CB 1 1
11 2370 1 1 14 ASP CG C -10.090 -0.272 -2.439 1.00 . A A . 14 ASP CG 1 1
11 2371 1 1 14 ASP H H -8.996 0.889 -0.268 1.00 . A A . 14 ASP H 1 1
11 2372 1 1 14 ASP HA H -11.144 -0.887 0.064 1.00 . A A . 14 ASP HA 1 1
11 2373 1 1 14 ASP HB2 H -8.567 -1.336 -1.455 1.00 . A A . 14 ASP HB2 1 1
11 2374 1 1 14 ASP HB3 H -10.057 -2.239 -1.671 1.00 . A A . 14 ASP HB3 1 1
11 2375 1 1 14 ASP N N -9.530 0.400 0.395 1.00 . A A . 14 ASP N 1 1
11 2376 1 1 14 ASP O O -10.040 -3.139 0.935 1.00 . A A . 14 ASP O 1 1
11 2377 1 1 14 ASP OD1 O -11.117 -0.495 -3.108 1.00 . A A . 14 ASP OD1 1 1
11 2378 1 1 14 ASP OD2 O -9.414 0.762 -2.605 1.00 . A A . 14 ASP OD2 1 1
11 2379 2 2 1 . C C -1.869 -0.915 3.645 1.00 . B A . 101 WMH C 1 1
11 2380 2 2 1 . C1 C -1.147 1.383 3.649 1.00 . B A . 101 WMH C1 1 1
11 2381 2 2 1 . C2 C 0.027 2.023 3.892 1.00 . B A . 101 WMH C2 1 1
11 2382 2 2 1 . H1 H -2.426 -1.096 4.546 1.00 . B A . 101 WMH H1 1 1
11 2383 2 2 1 . H2 H -2.579 -0.519 2.933 1.00 . B A . 101 WMH H2 1 1
11 2384 2 2 1 . H5 H 0.225 3.080 3.812 1.00 . B A . 101 WMH H5 1 1
11 2385 2 2 1 . N N -0.947 0.102 3.846 1.00 . B A . 101 WMH N 1 1
11 2386 2 2 1 . N1 N 0.924 1.113 4.245 1.00 . B A . 101 WMH N1 1 1
11 2387 2 2 1 . N2 N 0.386 -0.054 4.232 1.00 . B A . 101 WMH N2 1 1
12 2388 1 1 1 GLY C C -6.598 -3.392 1.133 1.00 . A A . 1 GLY C 1 1
12 2389 1 1 1 GLY CA C -7.799 -2.989 1.927 1.00 . A A . 1 GLY CA 1 1
12 2390 1 1 1 GLY H1 H -8.089 -1.010 1.296 1.00 . A A . 1 GLY H1 1 1
12 2391 1 1 1 GLY HA2 H -7.487 -2.679 2.913 1.00 . A A . 1 GLY HA2 1 1
12 2392 1 1 1 GLY HA3 H -8.464 -3.837 2.010 1.00 . A A . 1 GLY HA3 1 1
12 2393 1 1 1 GLY N N -8.488 -1.909 1.294 1.00 . A A . 1 GLY N 1 1
12 2394 1 1 1 GLY O O -6.310 -4.582 0.981 1.00 . A A . 1 GLY O 1 1
12 2395 1 1 2 ARG C C -3.569 -1.893 0.390 1.00 . A A . 2 ARG C 1 1
12 2396 1 1 2 ARG CA C -4.723 -2.678 -0.183 1.00 . A A . 2 ARG CA 1 1
12 2397 1 1 2 ARG CB C -4.931 -2.322 -1.661 1.00 . A A . 2 ARG CB 1 1
12 2398 1 1 2 ARG CD C -3.994 -2.360 -4.011 1.00 . A A . 2 ARG CD 1 1
12 2399 1 1 2 ARG CG C -3.785 -2.781 -2.564 1.00 . A A . 2 ARG CG 1 1
12 2400 1 1 2 ARG CZ C -4.710 -0.242 -5.118 1.00 . A A . 2 ARG CZ 1 1
12 2401 1 1 2 ARG H H -6.163 -1.483 0.761 1.00 . A A . 2 ARG H 1 1
12 2402 1 1 2 ARG HA H -4.506 -3.732 -0.098 1.00 . A A . 2 ARG HA 1 1
12 2403 1 1 2 ARG HB2 H -5.844 -2.783 -2.007 1.00 . A A . 2 ARG HB2 1 1
12 2404 1 1 2 ARG HB3 H -5.024 -1.249 -1.753 1.00 . A A . 2 ARG HB3 1 1
12 2405 1 1 2 ARG HD2 H -3.200 -2.777 -4.613 1.00 . A A . 2 ARG HD2 1 1
12 2406 1 1 2 ARG HD3 H -4.940 -2.755 -4.349 1.00 . A A . 2 ARG HD3 1 1
12 2407 1 1 2 ARG HE H -3.411 -0.421 -3.552 1.00 . A A . 2 ARG HE 1 1
12 2408 1 1 2 ARG HG2 H -2.858 -2.365 -2.200 1.00 . A A . 2 ARG HG2 1 1
12 2409 1 1 2 ARG HG3 H -3.728 -3.858 -2.516 1.00 . A A . 2 ARG HG3 1 1
12 2410 1 1 2 ARG HH11 H -5.509 -1.920 -5.962 1.00 . A A . 2 ARG HH11 1 1
12 2411 1 1 2 ARG HH12 H -6.048 -0.457 -6.658 1.00 . A A . 2 ARG HH12 1 1
12 2412 1 1 2 ARG HH21 H -4.077 1.633 -4.593 1.00 . A A . 2 ARG HH21 1 1
12 2413 1 1 2 ARG HH22 H -5.175 1.584 -5.894 1.00 . A A . 2 ARG HH22 1 1
12 2414 1 1 2 ARG N N -5.902 -2.415 0.599 1.00 . A A . 2 ARG N 1 1
12 2415 1 1 2 ARG NE N -3.997 -0.899 -4.185 1.00 . A A . 2 ARG NE 1 1
12 2416 1 1 2 ARG NH1 N -5.468 -0.919 -5.981 1.00 . A A . 2 ARG NH1 1 1
12 2417 1 1 2 ARG NH2 N -4.647 1.079 -5.206 1.00 . A A . 2 ARG NH2 1 1
12 2418 1 1 2 ARG O O -3.661 -0.673 0.557 1.00 . A A . 2 ARG O 1 1
12 2419 1 1 3 ALA C C -0.122 -2.702 0.689 1.00 . A A . 3 ALA C 1 1
12 2420 1 1 3 ALA CA C -1.324 -2.034 1.283 1.00 . A A . 3 ALA CA 1 1
12 2421 1 1 3 ALA CB C -1.332 -2.182 2.811 1.00 . A A . 3 ALA CB 1 1
12 2422 1 1 3 ALA H H -2.538 -3.564 0.570 1.00 . A A . 3 ALA H 1 1
12 2423 1 1 3 ALA HA H -1.298 -0.982 1.038 1.00 . A A . 3 ALA HA 1 1
12 2424 1 1 3 ALA HB2 H -0.314 -2.297 3.154 1.00 . A A . 3 ALA HB2 1 1
12 2425 1 1 3 ALA HB3 H -1.893 -3.067 3.071 1.00 . A A . 3 ALA HB3 1 1
12 2426 1 1 3 ALA N N -2.525 -2.594 0.721 1.00 . A A . 3 ALA N 1 1
12 2427 1 1 3 ALA O O -0.076 -3.934 0.569 1.00 . A A . 3 ALA O 1 1
12 2428 1 1 4 THR C C 3.151 -2.329 0.759 1.00 . A A . 4 THR C 1 1
12 2429 1 1 4 THR CA C 2.027 -2.405 -0.255 1.00 . A A . 4 THR CA 1 1
12 2430 1 1 4 THR CB C 2.382 -1.625 -1.528 1.00 . A A . 4 THR CB 1 1
12 2431 1 1 4 THR CG2 C 1.562 -2.117 -2.709 1.00 . A A . 4 THR CG2 1 1
12 2432 1 1 4 THR H H 0.753 -0.935 0.359 1.00 . A A . 4 THR H 1 1
12 2433 1 1 4 THR HA H 1.867 -3.439 -0.526 1.00 . A A . 4 THR HA 1 1
12 2434 1 1 4 THR HB H 3.432 -1.782 -1.733 1.00 . A A . 4 THR HB 1 1
12 2435 1 1 4 THR HG1 H 2.417 0.231 -2.129 1.00 . A A . 4 THR HG1 1 1
12 2436 1 1 4 THR HG21 H 1.762 -3.165 -2.875 1.00 . A A . 4 THR HG21 1 1
12 2437 1 1 4 THR HG22 H 1.830 -1.557 -3.592 1.00 . A A . 4 THR HG22 1 1
12 2438 1 1 4 THR HG23 H 0.511 -1.981 -2.497 1.00 . A A . 4 THR HG23 1 1
12 2439 1 1 4 THR N N 0.826 -1.912 0.301 1.00 . A A . 4 THR N 1 1
12 2440 1 1 4 THR O O 3.246 -1.377 1.536 1.00 . A A . 4 THR O 1 1
12 2441 1 1 4 THR OG1 O 2.146 -0.213 -1.316 1.00 . A A . 4 THR OG1 1 1
12 2442 1 1 5 LYS C C 6.291 -2.779 0.953 1.00 . A A . 5 LYS C 1 1
12 2443 1 1 5 LYS CA C 5.114 -3.400 1.669 1.00 . A A . 5 LYS CA 1 1
12 2444 1 1 5 LYS CB C 5.427 -4.849 2.041 1.00 . A A . 5 LYS CB 1 1
12 2445 1 1 5 LYS CD C 4.601 -7.005 3.032 1.00 . A A . 5 LYS CD 1 1
12 2446 1 1 5 LYS CE C 3.375 -7.759 3.526 1.00 . A A . 5 LYS CE 1 1
12 2447 1 1 5 LYS CG C 4.245 -5.590 2.633 1.00 . A A . 5 LYS CG 1 1
12 2448 1 1 5 LYS H H 3.786 -4.114 0.197 1.00 . A A . 5 LYS H 1 1
12 2449 1 1 5 LYS HA H 4.891 -2.833 2.559 1.00 . A A . 5 LYS HA 1 1
12 2450 1 1 5 LYS HB2 H 5.742 -5.373 1.152 1.00 . A A . 5 LYS HB2 1 1
12 2451 1 1 5 LYS HB3 H 6.235 -4.863 2.759 1.00 . A A . 5 LYS HB3 1 1
12 2452 1 1 5 LYS HD2 H 5.015 -7.524 2.180 1.00 . A A . 5 LYS HD2 1 1
12 2453 1 1 5 LYS HD3 H 5.333 -6.972 3.825 1.00 . A A . 5 LYS HD3 1 1
12 2454 1 1 5 LYS HE2 H 2.662 -7.816 2.717 1.00 . A A . 5 LYS HE2 1 1
12 2455 1 1 5 LYS HE3 H 3.669 -8.758 3.813 1.00 . A A . 5 LYS HE3 1 1
12 2456 1 1 5 LYS HG2 H 3.899 -5.061 3.509 1.00 . A A . 5 LYS HG2 1 1
12 2457 1 1 5 LYS HG3 H 3.454 -5.619 1.899 1.00 . A A . 5 LYS HG3 1 1
12 2458 1 1 5 LYS HZ1 H 3.395 -6.990 5.474 1.00 . A A . 5 LYS HZ1 1 1
12 2459 1 1 5 LYS HZ2 H 1.919 -7.644 5.018 1.00 . A A . 5 LYS HZ2 1 1
12 2460 1 1 5 LYS HZ3 H 2.391 -6.144 4.419 1.00 . A A . 5 LYS HZ3 1 1
12 2461 1 1 5 LYS N N 3.967 -3.350 0.785 1.00 . A A . 5 LYS N 1 1
12 2462 1 1 5 LYS NZ N 2.733 -7.092 4.677 1.00 . A A . 5 LYS NZ 1 1
12 2463 1 1 5 LYS O O 7.318 -2.453 1.555 1.00 . A A . 5 LYS O 1 1
12 2464 1 1 6 SER C C 7.052 -0.527 -1.044 1.00 . A A . 6 SER C 1 1
12 2465 1 1 6 SER CA C 7.105 -2.040 -1.184 1.00 . A A . 6 SER CA 1 1
12 2466 1 1 6 SER CB C 6.794 -2.448 -2.612 1.00 . A A . 6 SER CB 1 1
12 2467 1 1 6 SER H H 5.254 -2.862 -0.729 1.00 . A A . 6 SER H 1 1
12 2468 1 1 6 SER HA H 8.077 -2.415 -0.908 1.00 . A A . 6 SER HA 1 1
12 2469 1 1 6 SER HB2 H 5.932 -1.901 -2.964 1.00 . A A . 6 SER HB2 1 1
12 2470 1 1 6 SER HB3 H 7.651 -2.226 -3.231 1.00 . A A . 6 SER HB3 1 1
12 2471 1 1 6 SER HG H 6.921 -4.220 -1.867 1.00 . A A . 6 SER HG 1 1
12 2472 1 1 6 SER N N 6.114 -2.609 -0.335 1.00 . A A . 6 SER N 1 1
12 2473 1 1 6 SER O O 5.986 0.076 -1.205 1.00 . A A . 6 SER O 1 1
12 2474 1 1 6 SER OG O 6.530 -3.845 -2.668 1.00 . A A . 6 SER OG 1 1
12 2475 1 1 7 ILE C C 8.024 2.236 -1.854 1.00 . A A . 7 ILE C 1 1
12 2476 1 1 7 ILE CA C 8.297 1.497 -0.528 1.00 . A A . 7 ILE CA 1 1
12 2477 1 1 7 ILE CB C 9.718 1.858 0.012 1.00 . A A . 7 ILE CB 1 1
12 2478 1 1 7 ILE CD1 C 11.361 1.342 1.923 1.00 . A A . 7 ILE CD1 1 1
12 2479 1 1 7 ILE CG1 C 9.981 1.108 1.333 1.00 . A A . 7 ILE CG1 1 1
12 2480 1 1 7 ILE CG2 C 9.875 3.369 0.210 1.00 . A A . 7 ILE CG2 1 1
12 2481 1 1 7 ILE H H 8.978 -0.506 -0.659 1.00 . A A . 7 ILE H 1 1
12 2482 1 1 7 ILE HA H 7.557 1.786 0.201 1.00 . A A . 7 ILE HA 1 1
12 2483 1 1 7 ILE HB H 10.447 1.537 -0.715 1.00 . A A . 7 ILE HB 1 1
12 2484 1 1 7 ILE HD11 H 11.492 2.394 2.125 1.00 . A A . 7 ILE HD11 1 1
12 2485 1 1 7 ILE HD12 H 12.113 1.016 1.219 1.00 . A A . 7 ILE HD12 1 1
12 2486 1 1 7 ILE HD13 H 11.460 0.783 2.842 1.00 . A A . 7 ILE HD13 1 1
12 2487 1 1 7 ILE HG12 H 9.258 1.427 2.069 1.00 . A A . 7 ILE HG12 1 1
12 2488 1 1 7 ILE HG13 H 9.865 0.049 1.165 1.00 . A A . 7 ILE HG13 1 1
12 2489 1 1 7 ILE HG21 H 9.700 3.877 -0.727 1.00 . A A . 7 ILE HG21 1 1
12 2490 1 1 7 ILE HG22 H 10.878 3.582 0.552 1.00 . A A . 7 ILE HG22 1 1
12 2491 1 1 7 ILE HG23 H 9.166 3.714 0.950 1.00 . A A . 7 ILE HG23 1 1
12 2492 1 1 7 ILE N N 8.181 0.061 -0.732 1.00 . A A . 7 ILE N 1 1
12 2493 1 1 7 ILE O O 8.582 1.861 -2.897 1.00 . A A . 7 ILE O 1 1
12 2494 1 1 8 PRO C C 5.212 3.016 -0.323 1.00 . A A . 8 PRO C 1 1
12 2495 1 1 8 PRO CA C 6.490 3.798 -0.649 1.00 . A A . 8 PRO CA 1 1
12 2496 1 1 8 PRO CB C 6.125 5.245 -1.044 1.00 . A A . 8 PRO CB 1 1
12 2497 1 1 8 PRO CD C 6.811 4.064 -3.019 1.00 . A A . 8 PRO CD 1 1
12 2498 1 1 8 PRO CG C 6.640 5.434 -2.441 1.00 . A A . 8 PRO CG 1 1
12 2499 1 1 8 PRO HA H 7.143 3.813 0.210 1.00 . A A . 8 PRO HA 1 1
12 2500 1 1 8 PRO HB2 H 5.053 5.367 -1.001 1.00 . A A . 8 PRO HB2 1 1
12 2501 1 1 8 PRO HB3 H 6.591 5.937 -0.359 1.00 . A A . 8 PRO HB3 1 1
12 2502 1 1 8 PRO HD2 H 5.884 3.712 -3.448 1.00 . A A . 8 PRO HD2 1 1
12 2503 1 1 8 PRO HD3 H 7.602 4.052 -3.754 1.00 . A A . 8 PRO HD3 1 1
12 2504 1 1 8 PRO HG2 H 5.926 5.996 -3.024 1.00 . A A . 8 PRO HG2 1 1
12 2505 1 1 8 PRO HG3 H 7.588 5.949 -2.416 1.00 . A A . 8 PRO HG3 1 1
12 2506 1 1 8 PRO N N 7.176 3.283 -1.848 1.00 . A A . 8 PRO N 1 1
12 2507 1 1 8 PRO O O 4.407 2.733 -1.223 1.00 . A A . 8 PRO O 1 1
12 2508 1 1 9 PRO C C 2.583 2.803 1.309 1.00 . A A . 9 PRO C 1 1
12 2509 1 1 9 PRO CA C 3.826 1.919 1.378 1.00 . A A . 9 PRO CA 1 1
12 2510 1 1 9 PRO CB C 4.132 1.505 2.822 1.00 . A A . 9 PRO CB 1 1
12 2511 1 1 9 PRO CD C 5.908 2.935 2.089 1.00 . A A . 9 PRO CD 1 1
12 2512 1 1 9 PRO CG C 5.132 2.495 3.300 1.00 . A A . 9 PRO CG 1 1
12 2513 1 1 9 PRO HA H 3.673 1.043 0.762 1.00 . A A . 9 PRO HA 1 1
12 2514 1 1 9 PRO HB2 H 3.226 1.541 3.407 1.00 . A A . 9 PRO HB2 1 1
12 2515 1 1 9 PRO HB3 H 4.535 0.503 2.834 1.00 . A A . 9 PRO HB3 1 1
12 2516 1 1 9 PRO HD2 H 6.107 3.992 2.151 1.00 . A A . 9 PRO HD2 1 1
12 2517 1 1 9 PRO HD3 H 6.827 2.374 2.012 1.00 . A A . 9 PRO HD3 1 1
12 2518 1 1 9 PRO HG2 H 4.625 3.339 3.745 1.00 . A A . 9 PRO HG2 1 1
12 2519 1 1 9 PRO HG3 H 5.792 2.036 4.020 1.00 . A A . 9 PRO HG3 1 1
12 2520 1 1 9 PRO N N 5.009 2.647 0.957 1.00 . A A . 9 PRO N 1 1
12 2521 1 1 9 PRO O O 2.344 3.672 2.170 1.00 . A A . 9 PRO O 1 1
12 2522 1 1 10 ILE C C -0.537 2.521 0.340 1.00 . A A . 10 ILE C 1 1
12 2523 1 1 10 ILE CA C 0.656 3.390 0.048 1.00 . A A . 10 ILE CA 1 1
12 2524 1 1 10 ILE CB C 0.596 4.020 -1.376 1.00 . A A . 10 ILE CB 1 1
12 2525 1 1 10 ILE CD1 C 0.705 3.509 -3.892 1.00 . A A . 10 ILE CD1 1 1
12 2526 1 1 10 ILE CG1 C 0.789 2.957 -2.479 1.00 . A A . 10 ILE CG1 1 1
12 2527 1 1 10 ILE CG2 C 1.647 5.123 -1.494 1.00 . A A . 10 ILE CG2 1 1
12 2528 1 1 10 ILE H H 2.110 1.954 -0.396 1.00 . A A . 10 ILE H 1 1
12 2529 1 1 10 ILE HA H 0.669 4.183 0.780 1.00 . A A . 10 ILE HA 1 1
12 2530 1 1 10 ILE HB H -0.375 4.480 -1.487 1.00 . A A . 10 ILE HB 1 1
12 2531 1 1 10 ILE HD11 H 1.488 4.237 -4.039 1.00 . A A . 10 ILE HD11 1 1
12 2532 1 1 10 ILE HD12 H -0.255 3.984 -4.035 1.00 . A A . 10 ILE HD12 1 1
12 2533 1 1 10 ILE HD13 H 0.817 2.706 -4.605 1.00 . A A . 10 ILE HD13 1 1
12 2534 1 1 10 ILE HG12 H 1.764 2.507 -2.363 1.00 . A A . 10 ILE HG12 1 1
12 2535 1 1 10 ILE HG13 H 0.036 2.192 -2.369 1.00 . A A . 10 ILE HG13 1 1
12 2536 1 1 10 ILE HG21 H 1.441 5.900 -0.773 1.00 . A A . 10 ILE HG21 1 1
12 2537 1 1 10 ILE HG22 H 1.626 5.536 -2.491 1.00 . A A . 10 ILE HG22 1 1
12 2538 1 1 10 ILE HG23 H 2.623 4.704 -1.303 1.00 . A A . 10 ILE HG23 1 1
12 2539 1 1 10 ILE N N 1.846 2.635 0.259 1.00 . A A . 10 ILE N 1 1
12 2540 1 1 10 ILE O O -0.650 1.396 -0.176 1.00 . A A . 10 ILE O 1 1
12 2541 1 1 11 ALA C C -3.793 2.795 1.164 1.00 . A A . 11 ALA C 1 1
12 2542 1 1 11 ALA CA C -2.501 2.198 1.620 1.00 . A A . 11 ALA CA 1 1
12 2543 1 1 11 ALA CB C -2.505 1.941 3.129 1.00 . A A . 11 ALA CB 1 1
12 2544 1 1 11 ALA H H -1.277 3.891 1.569 1.00 . A A . 11 ALA H 1 1
12 2545 1 1 11 ALA HA H -2.397 1.240 1.127 1.00 . A A . 11 ALA HA 1 1
12 2546 1 1 11 ALA HB1 H -3.311 1.258 3.353 1.00 . A A . 11 ALA HB1 1 1
12 2547 1 1 11 ALA HB2 H -2.666 2.842 3.695 1.00 . A A . 11 ALA HB2 1 1
12 2548 1 1 11 ALA N N -1.389 2.987 1.206 1.00 . A A . 11 ALA N 1 1
12 2549 1 1 11 ALA O O -3.978 4.020 1.172 1.00 . A A . 11 ALA O 1 1
12 2550 1 1 12 PHE C C -7.016 1.658 1.069 1.00 . A A . 12 PHE C 1 1
12 2551 1 1 12 PHE CA C -5.943 2.305 0.220 1.00 . A A . 12 PHE CA 1 1
12 2552 1 1 12 PHE CB C -6.071 1.884 -1.258 1.00 . A A . 12 PHE CB 1 1
12 2553 1 1 12 PHE CD1 C -3.803 2.350 -2.270 1.00 . A A . 12 PHE CD1 1 1
12 2554 1 1 12 PHE CD2 C -5.651 3.654 -3.000 1.00 . A A . 12 PHE CD2 1 1
12 2555 1 1 12 PHE CE1 C -2.970 3.047 -3.120 1.00 . A A . 12 PHE CE1 1 1
12 2556 1 1 12 PHE CE2 C -4.823 4.353 -3.855 1.00 . A A . 12 PHE CE2 1 1
12 2557 1 1 12 PHE CG C -5.155 2.646 -2.196 1.00 . A A . 12 PHE CG 1 1
12 2558 1 1 12 PHE CZ C -3.481 4.051 -3.914 1.00 . A A . 12 PHE CZ 1 1
12 2559 1 1 12 PHE H H -4.426 0.984 0.796 1.00 . A A . 12 PHE H 1 1
12 2560 1 1 12 PHE HA H -6.022 3.379 0.289 1.00 . A A . 12 PHE HA 1 1
12 2561 1 1 12 PHE HB2 H -5.835 0.835 -1.347 1.00 . A A . 12 PHE HB2 1 1
12 2562 1 1 12 PHE HB3 H -7.089 2.046 -1.581 1.00 . A A . 12 PHE HB3 1 1
12 2563 1 1 12 PHE HD1 H -3.403 1.567 -1.644 1.00 . A A . 12 PHE HD1 1 1
12 2564 1 1 12 PHE HD2 H -6.703 3.894 -2.961 1.00 . A A . 12 PHE HD2 1 1
12 2565 1 1 12 PHE HE1 H -1.919 2.804 -3.165 1.00 . A A . 12 PHE HE1 1 1
12 2566 1 1 12 PHE HE2 H -5.229 5.141 -4.475 1.00 . A A . 12 PHE HE2 1 1
12 2567 1 1 12 PHE HZ H -2.830 4.599 -4.581 1.00 . A A . 12 PHE HZ 1 1
12 2568 1 1 12 PHE N N -4.659 1.940 0.741 1.00 . A A . 12 PHE N 1 1
12 2569 1 1 12 PHE O O -6.922 0.452 1.353 1.00 . A A . 12 PHE O 1 1
12 2570 1 1 13 PRO C C -9.847 0.707 1.943 1.00 . A A . 13 PRO C 1 1
12 2571 1 1 13 PRO CA C -9.139 1.987 2.409 1.00 . A A . 13 PRO CA 1 1
12 2572 1 1 13 PRO CB C -10.127 3.154 2.386 1.00 . A A . 13 PRO CB 1 1
12 2573 1 1 13 PRO CD C -8.208 3.879 1.167 1.00 . A A . 13 PRO CD 1 1
12 2574 1 1 13 PRO CG C -9.294 4.344 2.091 1.00 . A A . 13 PRO CG 1 1
12 2575 1 1 13 PRO HA H -8.781 1.845 3.417 1.00 . A A . 13 PRO HA 1 1
12 2576 1 1 13 PRO HB2 H -10.866 2.983 1.616 1.00 . A A . 13 PRO HB2 1 1
12 2577 1 1 13 PRO HB3 H -10.615 3.240 3.347 1.00 . A A . 13 PRO HB3 1 1
12 2578 1 1 13 PRO HD2 H -8.515 3.992 0.138 1.00 . A A . 13 PRO HD2 1 1
12 2579 1 1 13 PRO HD3 H -7.303 4.434 1.364 1.00 . A A . 13 PRO HD3 1 1
12 2580 1 1 13 PRO HG2 H -9.895 5.103 1.612 1.00 . A A . 13 PRO HG2 1 1
12 2581 1 1 13 PRO HG3 H -8.868 4.728 3.005 1.00 . A A . 13 PRO HG3 1 1
12 2582 1 1 13 PRO N N -8.040 2.448 1.510 1.00 . A A . 13 PRO N 1 1
12 2583 1 1 13 PRO O O -10.515 0.040 2.730 1.00 . A A . 13 PRO O 1 1
12 2584 1 1 14 ASP C C -9.654 -2.083 0.717 1.00 . A A . 14 ASP C 1 1
12 2585 1 1 14 ASP CA C -10.256 -0.839 0.064 1.00 . A A . 14 ASP CA 1 1
12 2586 1 1 14 ASP CB C -9.942 -0.892 -1.436 1.00 . A A . 14 ASP CB 1 1
12 2587 1 1 14 ASP CG C -10.482 0.281 -2.219 1.00 . A A . 14 ASP CG 1 1
12 2588 1 1 14 ASP H H -9.179 0.992 0.097 1.00 . A A . 14 ASP H 1 1
12 2589 1 1 14 ASP HA H -11.327 -0.835 0.201 1.00 . A A . 14 ASP HA 1 1
12 2590 1 1 14 ASP HB2 H -8.870 -0.913 -1.563 1.00 . A A . 14 ASP HB2 1 1
12 2591 1 1 14 ASP HB3 H -10.359 -1.801 -1.845 1.00 . A A . 14 ASP HB3 1 1
12 2592 1 1 14 ASP N N -9.693 0.378 0.665 1.00 . A A . 14 ASP N 1 1
12 2593 1 1 14 ASP O O -10.248 -3.177 0.704 1.00 . A A . 14 ASP O 1 1
12 2594 1 1 14 ASP OD1 O -9.756 1.299 -2.379 1.00 . A A . 14 ASP OD1 1 1
12 2595 1 1 14 ASP OD2 O -11.623 0.203 -2.717 1.00 . A A . 14 ASP OD2 1 1
12 2596 2 2 1 . C C -1.945 -0.998 3.530 1.00 . B A . 101 WMH C 1 1
12 2597 2 2 1 . C1 C -1.236 1.314 3.635 1.00 . B A . 101 WMH C1 1 1
12 2598 2 2 1 . C2 C -0.081 1.955 3.945 1.00 . B A . 101 WMH C2 1 1
12 2599 2 2 1 . H1 H -2.485 -1.222 4.434 1.00 . B A . 101 WMH H1 1 1
12 2600 2 2 1 . H2 H -2.664 -0.583 2.840 1.00 . B A . 101 WMH H2 1 1
12 2601 2 2 1 . H5 H 0.074 3.022 3.931 1.00 . B A . 101 WMH H5 1 1
12 2602 2 2 1 . N N -1.026 0.022 3.772 1.00 . B A . 101 WMH N 1 1
12 2603 2 2 1 . N1 N 0.826 1.040 4.269 1.00 . B A . 101 WMH N1 1 1
12 2604 2 2 1 . N2 N 0.307 -0.134 4.181 1.00 . B A . 101 WMH N2 1 1
13 2605 1 1 1 GLY C C -6.578 -3.497 1.534 1.00 . A A . 1 GLY C 1 1
13 2606 1 1 1 GLY CA C -7.802 -2.952 2.171 1.00 . A A . 1 GLY CA 1 1
13 2607 1 1 1 GLY H1 H -7.866 -1.053 1.278 1.00 . A A . 1 GLY H1 1 1
13 2608 1 1 1 GLY HA2 H -7.558 -2.556 3.144 1.00 . A A . 1 GLY HA2 1 1
13 2609 1 1 1 GLY HA3 H -8.527 -3.747 2.270 1.00 . A A . 1 GLY HA3 1 1
13 2610 1 1 1 GLY N N -8.333 -1.916 1.335 1.00 . A A . 1 GLY N 1 1
13 2611 1 1 1 GLY O O -6.381 -4.706 1.459 1.00 . A A . 1 GLY O 1 1
13 2612 1 1 2 ARG C C -3.461 -2.007 0.693 1.00 . A A . 2 ARG C 1 1
13 2613 1 1 2 ARG CA C -4.579 -2.953 0.340 1.00 . A A . 2 ARG CA 1 1
13 2614 1 1 2 ARG CB C -4.839 -2.938 -1.168 1.00 . A A . 2 ARG CB 1 1
13 2615 1 1 2 ARG CD C -3.980 -3.337 -3.489 1.00 . A A . 2 ARG CD 1 1
13 2616 1 1 2 ARG CG C -3.625 -3.288 -2.016 1.00 . A A . 2 ARG CG 1 1
13 2617 1 1 2 ARG CZ C -5.793 -4.381 -4.861 1.00 . A A . 2 ARG CZ 1 1
13 2618 1 1 2 ARG H H -5.921 -1.648 1.229 1.00 . A A . 2 ARG H 1 1
13 2619 1 1 2 ARG HA H -4.299 -3.953 0.630 1.00 . A A . 2 ARG HA 1 1
13 2620 1 1 2 ARG HB2 H -5.623 -3.644 -1.394 1.00 . A A . 2 ARG HB2 1 1
13 2621 1 1 2 ARG HB3 H -5.173 -1.951 -1.452 1.00 . A A . 2 ARG HB3 1 1
13 2622 1 1 2 ARG HD2 H -4.369 -2.373 -3.778 1.00 . A A . 2 ARG HD2 1 1
13 2623 1 1 2 ARG HD3 H -3.088 -3.552 -4.056 1.00 . A A . 2 ARG HD3 1 1
13 2624 1 1 2 ARG HE H -5.057 -5.089 -3.115 1.00 . A A . 2 ARG HE 1 1
13 2625 1 1 2 ARG HG2 H -2.867 -2.533 -1.862 1.00 . A A . 2 ARG HG2 1 1
13 2626 1 1 2 ARG HG3 H -3.241 -4.248 -1.703 1.00 . A A . 2 ARG HG3 1 1
13 2627 1 1 2 ARG HH11 H -5.087 -2.638 -5.655 1.00 . A A . 2 ARG HH11 1 1
13 2628 1 1 2 ARG HH12 H -6.307 -3.384 -6.578 1.00 . A A . 2 ARG HH12 1 1
13 2629 1 1 2 ARG HH21 H -6.691 -6.121 -4.356 1.00 . A A . 2 ARG HH21 1 1
13 2630 1 1 2 ARG HH22 H -7.275 -5.452 -5.811 1.00 . A A . 2 ARG HH22 1 1
13 2631 1 1 2 ARG N N -5.758 -2.598 1.053 1.00 . A A . 2 ARG N 1 1
13 2632 1 1 2 ARG NE N -4.993 -4.365 -3.781 1.00 . A A . 2 ARG NE 1 1
13 2633 1 1 2 ARG NH1 N -5.728 -3.403 -5.761 1.00 . A A . 2 ARG NH1 1 1
13 2634 1 1 2 ARG NH2 N -6.647 -5.380 -5.031 1.00 . A A . 2 ARG NH2 1 1
13 2635 1 1 2 ARG O O -3.483 -0.832 0.327 1.00 . A A . 2 ARG O 1 1
13 2636 1 1 3 ALA C C -0.210 -2.425 1.113 1.00 . A A . 3 ALA C 1 1
13 2637 1 1 3 ALA CA C -1.368 -1.776 1.790 1.00 . A A . 3 ALA CA 1 1
13 2638 1 1 3 ALA CB C -1.199 -1.746 3.308 1.00 . A A . 3 ALA CB 1 1
13 2639 1 1 3 ALA H H -2.663 -3.402 1.801 1.00 . A A . 3 ALA H 1 1
13 2640 1 1 3 ALA HA H -1.465 -0.766 1.421 1.00 . A A . 3 ALA HA 1 1
13 2641 1 1 3 ALA HB2 H -0.145 -1.708 3.542 1.00 . A A . 3 ALA HB2 1 1
13 2642 1 1 3 ALA HB3 H -1.623 -2.644 3.729 1.00 . A A . 3 ALA HB3 1 1
13 2643 1 1 3 ALA N N -2.547 -2.494 1.446 1.00 . A A . 3 ALA N 1 1
13 2644 1 1 3 ALA O O -0.080 -3.646 1.124 1.00 . A A . 3 ALA O 1 1
13 2645 1 1 4 THR C C 2.908 -2.343 0.704 1.00 . A A . 4 THR C 1 1
13 2646 1 1 4 THR CA C 1.709 -2.172 -0.204 1.00 . A A . 4 THR CA 1 1
13 2647 1 1 4 THR CB C 2.050 -1.284 -1.421 1.00 . A A . 4 THR CB 1 1
13 2648 1 1 4 THR CG2 C 0.958 -1.375 -2.476 1.00 . A A . 4 THR CG2 1 1
13 2649 1 1 4 THR H H 0.492 -0.667 0.502 1.00 . A A . 4 THR H 1 1
13 2650 1 1 4 THR HA H 1.417 -3.143 -0.575 1.00 . A A . 4 THR HA 1 1
13 2651 1 1 4 THR HB H 2.981 -1.624 -1.850 1.00 . A A . 4 THR HB 1 1
13 2652 1 1 4 THR HG1 H 2.700 0.515 -1.714 1.00 . A A . 4 THR HG1 1 1
13 2653 1 1 4 THR HG21 H 1.215 -0.749 -3.317 1.00 . A A . 4 THR HG21 1 1
13 2654 1 1 4 THR HG22 H 0.021 -1.042 -2.051 1.00 . A A . 4 THR HG22 1 1
13 2655 1 1 4 THR HG23 H 0.856 -2.399 -2.804 1.00 . A A . 4 THR HG23 1 1
13 2656 1 1 4 THR N N 0.610 -1.643 0.504 1.00 . A A . 4 THR N 1 1
13 2657 1 1 4 THR O O 3.116 -1.555 1.642 1.00 . A A . 4 THR O 1 1
13 2658 1 1 4 THR OG1 O 2.193 0.088 -1.012 1.00 . A A . 4 THR OG1 1 1
13 2659 1 1 5 LYS C C 6.009 -2.980 0.408 1.00 . A A . 5 LYS C 1 1
13 2660 1 1 5 LYS CA C 4.887 -3.612 1.205 1.00 . A A . 5 LYS CA 1 1
13 2661 1 1 5 LYS CB C 5.150 -5.099 1.455 1.00 . A A . 5 LYS CB 1 1
13 2662 1 1 5 LYS CD C 4.445 -7.213 2.612 1.00 . A A . 5 LYS CD 1 1
13 2663 1 1 5 LYS CE C 3.409 -7.877 3.517 1.00 . A A . 5 LYS CE 1 1
13 2664 1 1 5 LYS CG C 4.112 -5.758 2.347 1.00 . A A . 5 LYS CG 1 1
13 2665 1 1 5 LYS H H 3.343 -4.077 -0.162 1.00 . A A . 5 LYS H 1 1
13 2666 1 1 5 LYS HA H 4.803 -3.092 2.147 1.00 . A A . 5 LYS HA 1 1
13 2667 1 1 5 LYS HB2 H 5.155 -5.612 0.505 1.00 . A A . 5 LYS HB2 1 1
13 2668 1 1 5 LYS HB3 H 6.119 -5.209 1.919 1.00 . A A . 5 LYS HB3 1 1
13 2669 1 1 5 LYS HD2 H 4.474 -7.736 1.668 1.00 . A A . 5 LYS HD2 1 1
13 2670 1 1 5 LYS HD3 H 5.415 -7.270 3.082 1.00 . A A . 5 LYS HD3 1 1
13 2671 1 1 5 LYS HE2 H 3.716 -8.896 3.707 1.00 . A A . 5 LYS HE2 1 1
13 2672 1 1 5 LYS HE3 H 3.369 -7.338 4.451 1.00 . A A . 5 LYS HE3 1 1
13 2673 1 1 5 LYS HG2 H 4.076 -5.230 3.289 1.00 . A A . 5 LYS HG2 1 1
13 2674 1 1 5 LYS HG3 H 3.147 -5.696 1.863 1.00 . A A . 5 LYS HG3 1 1
13 2675 1 1 5 LYS HZ1 H 2.070 -8.413 2.005 1.00 . A A . 5 LYS HZ1 1 1
13 2676 1 1 5 LYS HZ2 H 1.710 -6.934 2.725 1.00 . A A . 5 LYS HZ2 1 1
13 2677 1 1 5 LYS HZ3 H 1.372 -8.367 3.533 1.00 . A A . 5 LYS HZ3 1 1
13 2678 1 1 5 LYS N N 3.647 -3.405 0.489 1.00 . A A . 5 LYS N 1 1
13 2679 1 1 5 LYS NZ N 2.059 -7.898 2.908 1.00 . A A . 5 LYS NZ 1 1
13 2680 1 1 5 LYS O O 7.151 -2.872 0.863 1.00 . A A . 5 LYS O 1 1
13 2681 1 1 6 SER C C 6.735 -0.452 -1.099 1.00 . A A . 6 SER C 1 1
13 2682 1 1 6 SER CA C 6.553 -1.861 -1.642 1.00 . A A . 6 SER CA 1 1
13 2683 1 1 6 SER CB C 5.967 -1.838 -3.043 1.00 . A A . 6 SER CB 1 1
13 2684 1 1 6 SER H H 4.754 -2.743 -1.100 1.00 . A A . 6 SER H 1 1
13 2685 1 1 6 SER HA H 7.502 -2.373 -1.657 1.00 . A A . 6 SER HA 1 1
13 2686 1 1 6 SER HB2 H 5.047 -1.272 -3.039 1.00 . A A . 6 SER HB2 1 1
13 2687 1 1 6 SER HB3 H 6.674 -1.386 -3.725 1.00 . A A . 6 SER HB3 1 1
13 2688 1 1 6 SER HG H 6.475 -3.673 -3.202 1.00 . A A . 6 SER HG 1 1
13 2689 1 1 6 SER N N 5.665 -2.568 -0.785 1.00 . A A . 6 SER N 1 1
13 2690 1 1 6 SER O O 5.810 0.118 -0.525 1.00 . A A . 6 SER O 1 1
13 2691 1 1 6 SER OG O 5.700 -3.165 -3.474 1.00 . A A . 6 SER OG 1 1
13 2692 1 1 7 ILE C C 7.991 2.417 -1.843 1.00 . A A . 7 ILE C 1 1
13 2693 1 1 7 ILE CA C 8.244 1.376 -0.746 1.00 . A A . 7 ILE CA 1 1
13 2694 1 1 7 ILE CB C 9.737 1.395 -0.294 1.00 . A A . 7 ILE CB 1 1
13 2695 1 1 7 ILE CD1 C 11.394 0.204 1.264 1.00 . A A . 7 ILE CD1 1 1
13 2696 1 1 7 ILE CG1 C 9.959 0.337 0.805 1.00 . A A . 7 ILE CG1 1 1
13 2697 1 1 7 ILE CG2 C 10.153 2.777 0.194 1.00 . A A . 7 ILE CG2 1 1
13 2698 1 1 7 ILE H H 8.604 -0.430 -1.728 1.00 . A A . 7 ILE H 1 1
13 2699 1 1 7 ILE HA H 7.616 1.579 0.109 1.00 . A A . 7 ILE HA 1 1
13 2700 1 1 7 ILE HB H 10.351 1.137 -1.145 1.00 . A A . 7 ILE HB 1 1
13 2701 1 1 7 ILE HD11 H 11.736 1.148 1.659 1.00 . A A . 7 ILE HD11 1 1
13 2702 1 1 7 ILE HD12 H 12.012 -0.084 0.427 1.00 . A A . 7 ILE HD12 1 1
13 2703 1 1 7 ILE HD13 H 11.457 -0.552 2.034 1.00 . A A . 7 ILE HD13 1 1
13 2704 1 1 7 ILE HG12 H 9.366 0.601 1.668 1.00 . A A . 7 ILE HG12 1 1
13 2705 1 1 7 ILE HG13 H 9.633 -0.623 0.436 1.00 . A A . 7 ILE HG13 1 1
13 2706 1 1 7 ILE HG21 H 9.998 3.497 -0.596 1.00 . A A . 7 ILE HG21 1 1
13 2707 1 1 7 ILE HG22 H 11.197 2.762 0.468 1.00 . A A . 7 ILE HG22 1 1
13 2708 1 1 7 ILE HG23 H 9.560 3.050 1.054 1.00 . A A . 7 ILE HG23 1 1
13 2709 1 1 7 ILE N N 7.912 0.072 -1.246 1.00 . A A . 7 ILE N 1 1
13 2710 1 1 7 ILE O O 8.384 2.198 -3.001 1.00 . A A . 7 ILE O 1 1
13 2711 1 1 8 PRO C C 5.440 3.133 0.041 1.00 . A A . 8 PRO C 1 1
13 2712 1 1 8 PRO CA C 6.777 3.843 -0.189 1.00 . A A . 8 PRO CA 1 1
13 2713 1 1 8 PRO CB C 6.553 5.375 -0.230 1.00 . A A . 8 PRO CB 1 1
13 2714 1 1 8 PRO CD C 7.003 4.621 -2.456 1.00 . A A . 8 PRO CD 1 1
13 2715 1 1 8 PRO CG C 7.066 5.821 -1.568 1.00 . A A . 8 PRO CG 1 1
13 2716 1 1 8 PRO HA H 7.475 3.589 0.594 1.00 . A A . 8 PRO HA 1 1
13 2717 1 1 8 PRO HB2 H 5.499 5.582 -0.125 1.00 . A A . 8 PRO HB2 1 1
13 2718 1 1 8 PRO HB3 H 7.094 5.847 0.577 1.00 . A A . 8 PRO HB3 1 1
13 2719 1 1 8 PRO HD2 H 6.010 4.508 -2.865 1.00 . A A . 8 PRO HD2 1 1
13 2720 1 1 8 PRO HD3 H 7.737 4.682 -3.245 1.00 . A A . 8 PRO HD3 1 1
13 2721 1 1 8 PRO HG2 H 6.436 6.607 -1.958 1.00 . A A . 8 PRO HG2 1 1
13 2722 1 1 8 PRO HG3 H 8.085 6.169 -1.475 1.00 . A A . 8 PRO HG3 1 1
13 2723 1 1 8 PRO N N 7.313 3.542 -1.529 1.00 . A A . 8 PRO N 1 1
13 2724 1 1 8 PRO O O 4.664 2.970 -0.902 1.00 . A A . 8 PRO O 1 1
13 2725 1 1 9 PRO C C 2.693 2.876 1.352 1.00 . A A . 9 PRO C 1 1
13 2726 1 1 9 PRO CA C 3.912 1.978 1.583 1.00 . A A . 9 PRO CA 1 1
13 2727 1 1 9 PRO CB C 4.046 1.613 3.071 1.00 . A A . 9 PRO CB 1 1
13 2728 1 1 9 PRO CD C 6.041 2.771 2.451 1.00 . A A . 9 PRO CD 1 1
13 2729 1 1 9 PRO CG C 5.108 2.516 3.597 1.00 . A A . 9 PRO CG 1 1
13 2730 1 1 9 PRO HA H 3.806 1.082 0.990 1.00 . A A . 9 PRO HA 1 1
13 2731 1 1 9 PRO HB2 H 3.100 1.779 3.569 1.00 . A A . 9 PRO HB2 1 1
13 2732 1 1 9 PRO HB3 H 4.329 0.575 3.166 1.00 . A A . 9 PRO HB3 1 1
13 2733 1 1 9 PRO HD2 H 6.473 3.758 2.528 1.00 . A A . 9 PRO HD2 1 1
13 2734 1 1 9 PRO HD3 H 6.816 2.019 2.418 1.00 . A A . 9 PRO HD3 1 1
13 2735 1 1 9 PRO HG2 H 4.666 3.442 3.937 1.00 . A A . 9 PRO HG2 1 1
13 2736 1 1 9 PRO HG3 H 5.631 2.032 4.407 1.00 . A A . 9 PRO HG3 1 1
13 2737 1 1 9 PRO N N 5.163 2.671 1.272 1.00 . A A . 9 PRO N 1 1
13 2738 1 1 9 PRO O O 2.520 3.916 2.011 1.00 . A A . 9 PRO O 1 1
13 2739 1 1 10 ILE C C -0.453 2.396 0.545 1.00 . A A . 10 ILE C 1 1
13 2740 1 1 10 ILE CA C 0.702 3.220 0.051 1.00 . A A . 10 ILE CA 1 1
13 2741 1 1 10 ILE CB C 0.588 3.422 -1.492 1.00 . A A . 10 ILE CB 1 1
13 2742 1 1 10 ILE CD1 C 1.819 4.395 -3.522 1.00 . A A . 10 ILE CD1 1 1
13 2743 1 1 10 ILE CG1 C 1.807 4.196 -2.019 1.00 . A A . 10 ILE CG1 1 1
13 2744 1 1 10 ILE CG2 C -0.706 4.156 -1.856 1.00 . A A . 10 ILE CG2 1 1
13 2745 1 1 10 ILE H H 2.088 1.671 -0.093 1.00 . A A . 10 ILE H 1 1
13 2746 1 1 10 ILE HA H 0.711 4.179 0.548 1.00 . A A . 10 ILE HA 1 1
13 2747 1 1 10 ILE HB H 0.566 2.448 -1.959 1.00 . A A . 10 ILE HB 1 1
13 2748 1 1 10 ILE HD11 H 1.812 3.432 -4.011 1.00 . A A . 10 ILE HD11 1 1
13 2749 1 1 10 ILE HD12 H 2.710 4.934 -3.805 1.00 . A A . 10 ILE HD12 1 1
13 2750 1 1 10 ILE HD13 H 0.944 4.956 -3.817 1.00 . A A . 10 ILE HD13 1 1
13 2751 1 1 10 ILE HG12 H 1.828 5.173 -1.559 1.00 . A A . 10 ILE HG12 1 1
13 2752 1 1 10 ILE HG13 H 2.706 3.662 -1.745 1.00 . A A . 10 ILE HG13 1 1
13 2753 1 1 10 ILE HG21 H -0.770 4.258 -2.929 1.00 . A A . 10 ILE HG21 1 1
13 2754 1 1 10 ILE HG22 H -0.700 5.138 -1.405 1.00 . A A . 10 ILE HG22 1 1
13 2755 1 1 10 ILE HG23 H -1.555 3.596 -1.493 1.00 . A A . 10 ILE HG23 1 1
13 2756 1 1 10 ILE N N 1.896 2.502 0.398 1.00 . A A . 10 ILE N 1 1
13 2757 1 1 10 ILE O O -0.449 1.160 0.392 1.00 . A A . 10 ILE O 1 1
13 2758 1 1 11 ALA C C -3.784 2.730 1.089 1.00 . A A . 11 ALA C 1 1
13 2759 1 1 11 ALA CA C -2.502 2.288 1.700 1.00 . A A . 11 ALA CA 1 1
13 2760 1 1 11 ALA CB C -2.556 2.278 3.235 1.00 . A A . 11 ALA CB 1 1
13 2761 1 1 11 ALA H H -1.388 4.001 1.273 1.00 . A A . 11 ALA H 1 1
13 2762 1 1 11 ALA HA H -2.343 1.273 1.366 1.00 . A A . 11 ALA HA 1 1
13 2763 1 1 11 ALA HB1 H -3.348 1.617 3.548 1.00 . A A . 11 ALA HB1 1 1
13 2764 1 1 11 ALA HB2 H -2.758 3.251 3.646 1.00 . A A . 11 ALA HB2 1 1
13 2765 1 1 11 ALA N N -1.403 3.024 1.177 1.00 . A A . 11 ALA N 1 1
13 2766 1 1 11 ALA O O -4.096 3.930 1.020 1.00 . A A . 11 ALA O 1 1
13 2767 1 1 12 PHE C C -6.862 1.563 0.869 1.00 . A A . 12 PHE C 1 1
13 2768 1 1 12 PHE CA C -5.737 1.980 -0.049 1.00 . A A . 12 PHE CA 1 1
13 2769 1 1 12 PHE CB C -5.799 1.137 -1.341 1.00 . A A . 12 PHE CB 1 1
13 2770 1 1 12 PHE CD1 C -3.500 0.735 -2.312 1.00 . A A . 12 PHE CD1 1 1
13 2771 1 1 12 PHE CD2 C -4.899 2.358 -3.351 1.00 . A A . 12 PHE CD2 1 1
13 2772 1 1 12 PHE CE1 C -2.512 0.981 -3.242 1.00 . A A . 12 PHE CE1 1 1
13 2773 1 1 12 PHE CE2 C -3.912 2.611 -4.285 1.00 . A A . 12 PHE CE2 1 1
13 2774 1 1 12 PHE CG C -4.707 1.422 -2.353 1.00 . A A . 12 PHE CG 1 1
13 2775 1 1 12 PHE CZ C -2.716 1.922 -4.230 1.00 . A A . 12 PHE CZ 1 1
13 2776 1 1 12 PHE H H -4.183 0.849 0.772 1.00 . A A . 12 PHE H 1 1
13 2777 1 1 12 PHE HA H -5.822 3.024 -0.309 1.00 . A A . 12 PHE HA 1 1
13 2778 1 1 12 PHE HB2 H -5.726 0.092 -1.074 1.00 . A A . 12 PHE HB2 1 1
13 2779 1 1 12 PHE HB3 H -6.752 1.304 -1.820 1.00 . A A . 12 PHE HB3 1 1
13 2780 1 1 12 PHE HD1 H -3.339 0.003 -1.533 1.00 . A A . 12 PHE HD1 1 1
13 2781 1 1 12 PHE HD2 H -5.834 2.896 -3.392 1.00 . A A . 12 PHE HD2 1 1
13 2782 1 1 12 PHE HE1 H -1.577 0.440 -3.196 1.00 . A A . 12 PHE HE1 1 1
13 2783 1 1 12 PHE HE2 H -4.074 3.347 -5.059 1.00 . A A . 12 PHE HE2 1 1
13 2784 1 1 12 PHE HZ H -1.945 2.118 -4.961 1.00 . A A . 12 PHE HZ 1 1
13 2785 1 1 12 PHE N N -4.501 1.770 0.625 1.00 . A A . 12 PHE N 1 1
13 2786 1 1 12 PHE O O -6.808 0.462 1.427 1.00 . A A . 12 PHE O 1 1
13 2787 1 1 13 PRO C C -9.800 0.804 1.445 1.00 . A A . 13 PRO C 1 1
13 2788 1 1 13 PRO CA C -9.099 2.105 1.888 1.00 . A A . 13 PRO CA 1 1
13 2789 1 1 13 PRO CB C -10.019 3.305 1.655 1.00 . A A . 13 PRO CB 1 1
13 2790 1 1 13 PRO CD C -7.989 3.785 0.491 1.00 . A A . 13 PRO CD 1 1
13 2791 1 1 13 PRO CG C -9.098 4.415 1.284 1.00 . A A . 13 PRO CG 1 1
13 2792 1 1 13 PRO HA H -8.838 2.030 2.934 1.00 . A A . 13 PRO HA 1 1
13 2793 1 1 13 PRO HB2 H -10.706 3.071 0.857 1.00 . A A . 13 PRO HB2 1 1
13 2794 1 1 13 PRO HB3 H -10.568 3.530 2.557 1.00 . A A . 13 PRO HB3 1 1
13 2795 1 1 13 PRO HD2 H -8.240 3.760 -0.559 1.00 . A A . 13 PRO HD2 1 1
13 2796 1 1 13 PRO HD3 H -7.068 4.325 0.652 1.00 . A A . 13 PRO HD3 1 1
13 2797 1 1 13 PRO HG2 H -9.624 5.145 0.685 1.00 . A A . 13 PRO HG2 1 1
13 2798 1 1 13 PRO HG3 H -8.703 4.877 2.177 1.00 . A A . 13 PRO HG3 1 1
13 2799 1 1 13 PRO N N -7.904 2.420 1.052 1.00 . A A . 13 PRO N 1 1
13 2800 1 1 13 PRO O O -10.683 0.272 2.134 1.00 . A A . 13 PRO O 1 1
13 2801 1 1 14 ASP C C -9.435 -2.091 0.658 1.00 . A A . 14 ASP C 1 1
13 2802 1 1 14 ASP CA C -9.817 -0.960 -0.289 1.00 . A A . 14 ASP CA 1 1
13 2803 1 1 14 ASP CB C -9.091 -1.183 -1.633 1.00 . A A . 14 ASP CB 1 1
13 2804 1 1 14 ASP CG C -9.396 -2.530 -2.292 1.00 . A A . 14 ASP CG 1 1
13 2805 1 1 14 ASP H H -8.782 0.886 -0.236 1.00 . A A . 14 ASP H 1 1
13 2806 1 1 14 ASP HA H -10.881 -0.953 -0.463 1.00 . A A . 14 ASP HA 1 1
13 2807 1 1 14 ASP HB2 H -9.388 -0.406 -2.319 1.00 . A A . 14 ASP HB2 1 1
13 2808 1 1 14 ASP HB3 H -8.026 -1.116 -1.468 1.00 . A A . 14 ASP HB3 1 1
13 2809 1 1 14 ASP N N -9.401 0.324 0.275 1.00 . A A . 14 ASP N 1 1
13 2810 1 1 14 ASP O O -10.163 -3.056 0.813 1.00 . A A . 14 ASP O 1 1
13 2811 1 1 14 ASP OD1 O -10.326 -2.600 -3.126 1.00 . A A . 14 ASP OD1 1 1
13 2812 1 1 14 ASP OD2 O -8.715 -3.537 -2.006 1.00 . A A . 14 ASP OD2 1 1
13 2813 2 2 1 . C C -1.868 -0.551 3.948 1.00 . B A . 101 WMH C 1 1
13 2814 2 2 1 . C1 C -1.282 1.782 3.858 1.00 . B A . 101 WMH C1 1 1
13 2815 2 2 1 . C2 C -0.174 2.511 4.140 1.00 . B A . 101 WMH C2 1 1
13 2816 2 2 1 . H1 H -2.426 -0.724 4.852 1.00 . B A . 101 WMH H1 1 1
13 2817 2 2 1 . H2 H -2.586 -0.216 3.217 1.00 . B A . 101 WMH H2 1 1
13 2818 2 2 1 . H5 H -0.079 3.581 4.033 1.00 . B A . 101 WMH H5 1 1
13 2819 2 2 1 . N N -1.008 0.526 4.119 1.00 . B A . 101 WMH N 1 1
13 2820 2 2 1 . N1 N 0.771 1.679 4.573 1.00 . B A . 101 WMH N1 1 1
13 2821 2 2 1 . N2 N 0.312 0.476 4.577 1.00 . B A . 101 WMH N2 1 1
14 2822 1 1 1 GLY C C -6.488 -3.254 2.114 1.00 . A A . 1 GLY C 1 1
14 2823 1 1 1 GLY CA C -7.782 -2.720 2.685 1.00 . A A . 1 GLY CA 1 1
14 2824 1 1 1 GLY H1 H -8.001 -0.932 1.577 1.00 . A A . 1 GLY H1 1 1
14 2825 1 1 1 GLY HA2 H -7.582 -2.217 3.620 1.00 . A A . 1 GLY HA2 1 1
14 2826 1 1 1 GLY HA3 H -8.450 -3.549 2.872 1.00 . A A . 1 GLY HA3 1 1
14 2827 1 1 1 GLY N N -8.426 -1.796 1.776 1.00 . A A . 1 GLY N 1 1
14 2828 1 1 1 GLY O O -5.867 -4.143 2.683 1.00 . A A . 1 GLY O 1 1
14 2829 1 1 2 ARG C C -3.729 -2.184 0.631 1.00 . A A . 2 ARG C 1 1
14 2830 1 1 2 ARG CA C -4.879 -3.139 0.313 1.00 . A A . 2 ARG CA 1 1
14 2831 1 1 2 ARG CB C -5.120 -3.223 -1.210 1.00 . A A . 2 ARG CB 1 1
14 2832 1 1 2 ARG CD C -4.210 -3.746 -3.518 1.00 . A A . 2 ARG CD 1 1
14 2833 1 1 2 ARG CG C -3.888 -3.597 -2.031 1.00 . A A . 2 ARG CG 1 1
14 2834 1 1 2 ARG CZ C -4.764 -2.187 -5.401 1.00 . A A . 2 ARG CZ 1 1
14 2835 1 1 2 ARG H H -6.623 -1.993 0.595 1.00 . A A . 2 ARG H 1 1
14 2836 1 1 2 ARG HA H -4.625 -4.123 0.680 1.00 . A A . 2 ARG HA 1 1
14 2837 1 1 2 ARG HB2 H -5.885 -3.962 -1.398 1.00 . A A . 2 ARG HB2 1 1
14 2838 1 1 2 ARG HB3 H -5.477 -2.264 -1.553 1.00 . A A . 2 ARG HB3 1 1
14 2839 1 1 2 ARG HD2 H -3.300 -3.980 -4.047 1.00 . A A . 2 ARG HD2 1 1
14 2840 1 1 2 ARG HD3 H -4.911 -4.557 -3.639 1.00 . A A . 2 ARG HD3 1 1
14 2841 1 1 2 ARG HE H -5.240 -1.914 -3.468 1.00 . A A . 2 ARG HE 1 1
14 2842 1 1 2 ARG HG2 H -3.145 -2.822 -1.914 1.00 . A A . 2 ARG HG2 1 1
14 2843 1 1 2 ARG HG3 H -3.492 -4.530 -1.661 1.00 . A A . 2 ARG HG3 1 1
14 2844 1 1 2 ARG HH11 H -3.815 -3.884 -6.051 1.00 . A A . 2 ARG HH11 1 1
14 2845 1 1 2 ARG HH12 H -4.185 -2.760 -7.274 1.00 . A A . 2 ARG HH12 1 1
14 2846 1 1 2 ARG HH21 H -5.778 -0.427 -5.156 1.00 . A A . 2 ARG HH21 1 1
14 2847 1 1 2 ARG HH22 H -5.328 -0.768 -6.759 1.00 . A A . 2 ARG HH22 1 1
14 2848 1 1 2 ARG N N -6.089 -2.714 0.986 1.00 . A A . 2 ARG N 1 1
14 2849 1 1 2 ARG NE N -4.790 -2.520 -4.100 1.00 . A A . 2 ARG NE 1 1
14 2850 1 1 2 ARG NH1 N -4.217 -3.001 -6.300 1.00 . A A . 2 ARG NH1 1 1
14 2851 1 1 2 ARG NH2 N -5.325 -1.055 -5.798 1.00 . A A . 2 ARG NH2 1 1
14 2852 1 1 2 ARG O O -3.852 -0.982 0.456 1.00 . A A . 2 ARG O 1 1
14 2853 1 1 3 ALA C C -0.271 -2.549 0.683 1.00 . A A . 3 ALA C 1 1
14 2854 1 1 3 ALA CA C -1.449 -1.964 1.425 1.00 . A A . 3 ALA CA 1 1
14 2855 1 1 3 ALA CB C -1.197 -1.948 2.940 1.00 . A A . 3 ALA CB 1 1
14 2856 1 1 3 ALA H H -2.629 -3.686 1.306 1.00 . A A . 3 ALA H 1 1
14 2857 1 1 3 ALA HA H -1.600 -0.950 1.084 1.00 . A A . 3 ALA HA 1 1
14 2858 1 1 3 ALA HB2 H -0.133 -1.907 3.112 1.00 . A A . 3 ALA HB2 1 1
14 2859 1 1 3 ALA HB3 H -1.586 -2.861 3.363 1.00 . A A . 3 ALA HB3 1 1
14 2860 1 1 3 ALA N N -2.651 -2.721 1.122 1.00 . A A . 3 ALA N 1 1
14 2861 1 1 3 ALA O O -0.098 -3.774 0.655 1.00 . A A . 3 ALA O 1 1
14 2862 1 1 4 THR C C 2.817 -2.444 0.263 1.00 . A A . 4 THR C 1 1
14 2863 1 1 4 THR CA C 1.648 -2.162 -0.676 1.00 . A A . 4 THR CA 1 1
14 2864 1 1 4 THR CB C 2.059 -1.173 -1.805 1.00 . A A . 4 THR CB 1 1
14 2865 1 1 4 THR CG2 C 0.942 -1.036 -2.824 1.00 . A A . 4 THR CG2 1 1
14 2866 1 1 4 THR H H 0.342 -0.732 0.095 1.00 . A A . 4 THR H 1 1
14 2867 1 1 4 THR HA H 1.353 -3.096 -1.130 1.00 . A A . 4 THR HA 1 1
14 2868 1 1 4 THR HB H 2.935 -1.563 -2.302 1.00 . A A . 4 THR HB 1 1
14 2869 1 1 4 THR HG1 H 3.119 0.452 -1.773 1.00 . A A . 4 THR HG1 1 1
14 2870 1 1 4 THR HG21 H 1.243 -0.351 -3.603 1.00 . A A . 4 THR HG21 1 1
14 2871 1 1 4 THR HG22 H 0.060 -0.656 -2.331 1.00 . A A . 4 THR HG22 1 1
14 2872 1 1 4 THR HG23 H 0.726 -2.001 -3.256 1.00 . A A . 4 THR HG23 1 1
14 2873 1 1 4 THR N N 0.515 -1.700 0.063 1.00 . A A . 4 THR N 1 1
14 2874 1 1 4 THR O O 3.061 -1.693 1.215 1.00 . A A . 4 THR O 1 1
14 2875 1 1 4 THR OG1 O 2.364 0.122 -1.269 1.00 . A A . 4 THR OG1 1 1
14 2876 1 1 5 LYS C C 5.930 -3.260 0.349 1.00 . A A . 5 LYS C 1 1
14 2877 1 1 5 LYS CA C 4.650 -3.942 0.836 1.00 . A A . 5 LYS CA 1 1
14 2878 1 1 5 LYS CB C 4.812 -5.468 0.806 1.00 . A A . 5 LYS CB 1 1
14 2879 1 1 5 LYS CD C 5.099 -7.544 -0.579 1.00 . A A . 5 LYS CD 1 1
14 2880 1 1 5 LYS CE C 5.233 -8.093 -1.989 1.00 . A A . 5 LYS CE 1 1
14 2881 1 1 5 LYS CG C 5.017 -6.033 -0.591 1.00 . A A . 5 LYS CG 1 1
14 2882 1 1 5 LYS H H 3.222 -4.127 -0.718 1.00 . A A . 5 LYS H 1 1
14 2883 1 1 5 LYS HA H 4.457 -3.633 1.852 1.00 . A A . 5 LYS HA 1 1
14 2884 1 1 5 LYS HB2 H 5.664 -5.741 1.409 1.00 . A A . 5 LYS HB2 1 1
14 2885 1 1 5 LYS HB3 H 3.925 -5.920 1.227 1.00 . A A . 5 LYS HB3 1 1
14 2886 1 1 5 LYS HD2 H 5.957 -7.846 0.002 1.00 . A A . 5 LYS HD2 1 1
14 2887 1 1 5 LYS HD3 H 4.200 -7.940 -0.130 1.00 . A A . 5 LYS HD3 1 1
14 2888 1 1 5 LYS HE2 H 5.239 -9.169 -1.942 1.00 . A A . 5 LYS HE2 1 1
14 2889 1 1 5 LYS HE3 H 4.381 -7.768 -2.567 1.00 . A A . 5 LYS HE3 1 1
14 2890 1 1 5 LYS HG2 H 4.198 -5.731 -1.224 1.00 . A A . 5 LYS HG2 1 1
14 2891 1 1 5 LYS HG3 H 5.940 -5.634 -0.986 1.00 . A A . 5 LYS HG3 1 1
14 2892 1 1 5 LYS HZ1 H 6.538 -6.606 -2.660 1.00 . A A . 5 LYS HZ1 1 1
14 2893 1 1 5 LYS HZ2 H 6.461 -7.943 -3.650 1.00 . A A . 5 LYS HZ2 1 1
14 2894 1 1 5 LYS HZ3 H 7.317 -8.035 -2.200 1.00 . A A . 5 LYS HZ3 1 1
14 2895 1 1 5 LYS N N 3.504 -3.544 0.020 1.00 . A A . 5 LYS N 1 1
14 2896 1 1 5 LYS NZ N 6.470 -7.641 -2.655 1.00 . A A . 5 LYS NZ 1 1
14 2897 1 1 5 LYS O O 7.018 -3.502 0.866 1.00 . A A . 5 LYS O 1 1
14 2898 1 1 6 SER C C 7.086 -0.380 -0.447 1.00 . A A . 6 SER C 1 1
14 2899 1 1 6 SER CA C 6.869 -1.691 -1.204 1.00 . A A . 6 SER CA 1 1
14 2900 1 1 6 SER CB C 6.560 -1.459 -2.681 1.00 . A A . 6 SER CB 1 1
14 2901 1 1 6 SER H H 4.898 -2.263 -1.023 1.00 . A A . 6 SER H 1 1
14 2902 1 1 6 SER HA H 7.760 -2.297 -1.131 1.00 . A A . 6 SER HA 1 1
14 2903 1 1 6 SER HB2 H 7.109 -0.594 -3.026 1.00 . A A . 6 SER HB2 1 1
14 2904 1 1 6 SER HB3 H 6.851 -2.324 -3.253 1.00 . A A . 6 SER HB3 1 1
14 2905 1 1 6 SER HG H 5.066 -0.311 -3.177 1.00 . A A . 6 SER HG 1 1
14 2906 1 1 6 SER N N 5.785 -2.424 -0.641 1.00 . A A . 6 SER N 1 1
14 2907 1 1 6 SER O O 6.319 -0.044 0.463 1.00 . A A . 6 SER O 1 1
14 2908 1 1 6 SER OG O 5.155 -1.224 -2.871 1.00 . A A . 6 SER OG 1 1
14 2909 1 1 7 ILE C C 8.508 2.673 -1.268 1.00 . A A . 7 ILE C 1 1
14 2910 1 1 7 ILE CA C 8.421 1.608 -0.167 1.00 . A A . 7 ILE CA 1 1
14 2911 1 1 7 ILE CB C 9.746 1.571 0.672 1.00 . A A . 7 ILE CB 1 1
14 2912 1 1 7 ILE CD1 C 10.887 0.403 2.660 1.00 . A A . 7 ILE CD1 1 1
14 2913 1 1 7 ILE CG1 C 9.646 0.517 1.794 1.00 . A A . 7 ILE CG1 1 1
14 2914 1 1 7 ILE CG2 C 10.064 2.945 1.264 1.00 . A A . 7 ILE CG2 1 1
14 2915 1 1 7 ILE H H 8.752 -0.014 -1.467 1.00 . A A . 7 ILE H 1 1
14 2916 1 1 7 ILE HA H 7.590 1.842 0.483 1.00 . A A . 7 ILE HA 1 1
14 2917 1 1 7 ILE HB H 10.553 1.296 0.010 1.00 . A A . 7 ILE HB 1 1
14 2918 1 1 7 ILE HD11 H 10.734 -0.360 3.409 1.00 . A A . 7 ILE HD11 1 1
14 2919 1 1 7 ILE HD12 H 11.074 1.349 3.147 1.00 . A A . 7 ILE HD12 1 1
14 2920 1 1 7 ILE HD13 H 11.736 0.142 2.047 1.00 . A A . 7 ILE HD13 1 1
14 2921 1 1 7 ILE HG12 H 8.820 0.773 2.439 1.00 . A A . 7 ILE HG12 1 1
14 2922 1 1 7 ILE HG13 H 9.456 -0.449 1.349 1.00 . A A . 7 ILE HG13 1 1
14 2923 1 1 7 ILE HG21 H 10.989 2.896 1.817 1.00 . A A . 7 ILE HG21 1 1
14 2924 1 1 7 ILE HG22 H 9.266 3.243 1.930 1.00 . A A . 7 ILE HG22 1 1
14 2925 1 1 7 ILE HG23 H 10.156 3.665 0.464 1.00 . A A . 7 ILE HG23 1 1
14 2926 1 1 7 ILE N N 8.139 0.328 -0.781 1.00 . A A . 7 ILE N 1 1
14 2927 1 1 7 ILE O O 9.241 2.482 -2.253 1.00 . A A . 7 ILE O 1 1
14 2928 1 1 8 PRO C C 5.580 3.275 -0.022 1.00 . A A . 8 PRO C 1 1
14 2929 1 1 8 PRO CA C 6.887 4.091 0.001 1.00 . A A . 8 PRO CA 1 1
14 2930 1 1 8 PRO CB C 6.581 5.584 -0.163 1.00 . A A . 8 PRO CB 1 1
14 2931 1 1 8 PRO CD C 7.741 4.888 -2.147 1.00 . A A . 8 PRO CD 1 1
14 2932 1 1 8 PRO CG C 6.687 5.833 -1.628 1.00 . A A . 8 PRO CG 1 1
14 2933 1 1 8 PRO HA H 7.400 3.926 0.938 1.00 . A A . 8 PRO HA 1 1
14 2934 1 1 8 PRO HB2 H 5.586 5.789 0.204 1.00 . A A . 8 PRO HB2 1 1
14 2935 1 1 8 PRO HB3 H 7.301 6.169 0.390 1.00 . A A . 8 PRO HB3 1 1
14 2936 1 1 8 PRO HD2 H 7.462 4.507 -3.119 1.00 . A A . 8 PRO HD2 1 1
14 2937 1 1 8 PRO HD3 H 8.698 5.384 -2.200 1.00 . A A . 8 PRO HD3 1 1
14 2938 1 1 8 PRO HG2 H 5.739 5.630 -2.103 1.00 . A A . 8 PRO HG2 1 1
14 2939 1 1 8 PRO HG3 H 6.981 6.857 -1.807 1.00 . A A . 8 PRO HG3 1 1
14 2940 1 1 8 PRO N N 7.770 3.799 -1.149 1.00 . A A . 8 PRO N 1 1
14 2941 1 1 8 PRO O O 4.997 3.051 -1.088 1.00 . A A . 8 PRO O 1 1
14 2942 1 1 9 PRO C C 2.661 2.889 0.994 1.00 . A A . 9 PRO C 1 1
14 2943 1 1 9 PRO CA C 3.895 2.023 1.250 1.00 . A A . 9 PRO CA 1 1
14 2944 1 1 9 PRO CB C 3.904 1.498 2.692 1.00 . A A . 9 PRO CB 1 1
14 2945 1 1 9 PRO CD C 5.802 2.937 2.455 1.00 . A A . 9 PRO CD 1 1
14 2946 1 1 9 PRO CG C 4.779 2.443 3.438 1.00 . A A . 9 PRO CG 1 1
14 2947 1 1 9 PRO HA H 3.894 1.195 0.556 1.00 . A A . 9 PRO HA 1 1
14 2948 1 1 9 PRO HB2 H 2.898 1.498 3.081 1.00 . A A . 9 PRO HB2 1 1
14 2949 1 1 9 PRO HB3 H 4.302 0.495 2.711 1.00 . A A . 9 PRO HB3 1 1
14 2950 1 1 9 PRO HD2 H 6.043 3.971 2.650 1.00 . A A . 9 PRO HD2 1 1
14 2951 1 1 9 PRO HD3 H 6.691 2.326 2.500 1.00 . A A . 9 PRO HD3 1 1
14 2952 1 1 9 PRO HG2 H 4.188 3.268 3.808 1.00 . A A . 9 PRO HG2 1 1
14 2953 1 1 9 PRO HG3 H 5.260 1.932 4.258 1.00 . A A . 9 PRO HG3 1 1
14 2954 1 1 9 PRO N N 5.131 2.792 1.146 1.00 . A A . 9 PRO N 1 1
14 2955 1 1 9 PRO O O 2.470 3.947 1.620 1.00 . A A . 9 PRO O 1 1
14 2956 1 1 10 ILE C C -0.496 2.286 0.211 1.00 . A A . 10 ILE C 1 1
14 2957 1 1 10 ILE CA C 0.645 3.131 -0.291 1.00 . A A . 10 ILE CA 1 1
14 2958 1 1 10 ILE CB C 0.532 3.299 -1.840 1.00 . A A . 10 ILE CB 1 1
14 2959 1 1 10 ILE CD1 C 1.908 5.486 -1.838 1.00 . A A . 10 ILE CD1 1 1
14 2960 1 1 10 ILE CG1 C 1.738 4.082 -2.403 1.00 . A A . 10 ILE CG1 1 1
14 2961 1 1 10 ILE CG2 C -0.783 3.972 -2.238 1.00 . A A . 10 ILE CG2 1 1
14 2962 1 1 10 ILE H H 2.055 1.607 -0.390 1.00 . A A . 10 ILE H 1 1
14 2963 1 1 10 ILE HA H 0.626 4.101 0.182 1.00 . A A . 10 ILE HA 1 1
14 2964 1 1 10 ILE HB H 0.535 2.308 -2.273 1.00 . A A . 10 ILE HB 1 1
14 2965 1 1 10 ILE HD11 H 2.760 5.960 -2.302 1.00 . A A . 10 ILE HD11 1 1
14 2966 1 1 10 ILE HD12 H 2.070 5.428 -0.771 1.00 . A A . 10 ILE HD12 1 1
14 2967 1 1 10 ILE HD13 H 1.019 6.065 -2.037 1.00 . A A . 10 ILE HD13 1 1
14 2968 1 1 10 ILE HG12 H 2.643 3.536 -2.184 1.00 . A A . 10 ILE HG12 1 1
14 2969 1 1 10 ILE HG13 H 1.626 4.164 -3.474 1.00 . A A . 10 ILE HG13 1 1
14 2970 1 1 10 ILE HG21 H -1.614 3.378 -1.888 1.00 . A A . 10 ILE HG21 1 1
14 2971 1 1 10 ILE HG22 H -0.831 4.061 -3.314 1.00 . A A . 10 ILE HG22 1 1
14 2972 1 1 10 ILE HG23 H -0.828 4.956 -1.796 1.00 . A A . 10 ILE HG23 1 1
14 2973 1 1 10 ILE N N 1.858 2.456 0.070 1.00 . A A . 10 ILE N 1 1
14 2974 1 1 10 ILE O O -0.537 1.068 -0.052 1.00 . A A . 10 ILE O 1 1
14 2975 1 1 11 ALA C C -3.770 2.586 0.954 1.00 . A A . 11 ALA C 1 1
14 2976 1 1 11 ALA CA C -2.470 2.125 1.504 1.00 . A A . 11 ALA CA 1 1
14 2977 1 1 11 ALA CB C -2.490 2.074 3.030 1.00 . A A . 11 ALA CB 1 1
14 2978 1 1 11 ALA H H -1.293 3.832 1.170 1.00 . A A . 11 ALA H 1 1
14 2979 1 1 11 ALA HA H -2.326 1.117 1.142 1.00 . A A . 11 ALA HA 1 1
14 2980 1 1 11 ALA HB1 H -3.282 1.411 3.343 1.00 . A A . 11 ALA HB1 1 1
14 2981 1 1 11 ALA HB2 H -2.680 3.033 3.475 1.00 . A A . 11 ALA HB2 1 1
14 2982 1 1 11 ALA N N -1.379 2.875 0.973 1.00 . A A . 11 ALA N 1 1
14 2983 1 1 11 ALA O O -4.105 3.772 0.993 1.00 . A A . 11 ALA O 1 1
14 2984 1 1 12 PHE C C -6.852 1.560 0.777 1.00 . A A . 12 PHE C 1 1
14 2985 1 1 12 PHE CA C -5.741 1.868 -0.199 1.00 . A A . 12 PHE CA 1 1
14 2986 1 1 12 PHE CB C -5.862 0.955 -1.419 1.00 . A A . 12 PHE CB 1 1
14 2987 1 1 12 PHE CD1 C -4.853 2.084 -3.412 1.00 . A A . 12 PHE CD1 1 1
14 2988 1 1 12 PHE CD2 C -3.650 0.290 -2.426 1.00 . A A . 12 PHE CD2 1 1
14 2989 1 1 12 PHE CE1 C -3.862 2.231 -4.355 1.00 . A A . 12 PHE CE1 1 1
14 2990 1 1 12 PHE CE2 C -2.650 0.432 -3.367 1.00 . A A . 12 PHE CE2 1 1
14 2991 1 1 12 PHE CG C -4.764 1.117 -2.439 1.00 . A A . 12 PHE CG 1 1
14 2992 1 1 12 PHE CZ C -2.759 1.405 -4.334 1.00 . A A . 12 PHE CZ 1 1
14 2993 1 1 12 PHE H H -4.160 0.729 0.555 1.00 . A A . 12 PHE H 1 1
14 2994 1 1 12 PHE HA H -5.792 2.899 -0.518 1.00 . A A . 12 PHE HA 1 1
14 2995 1 1 12 PHE HB2 H -5.851 -0.072 -1.087 1.00 . A A . 12 PHE HB2 1 1
14 2996 1 1 12 PHE HB3 H -6.805 1.154 -1.907 1.00 . A A . 12 PHE HB3 1 1
14 2997 1 1 12 PHE HD1 H -5.715 2.735 -3.433 1.00 . A A . 12 PHE HD1 1 1
14 2998 1 1 12 PHE HD2 H -3.565 -0.471 -1.663 1.00 . A A . 12 PHE HD2 1 1
14 2999 1 1 12 PHE HE1 H -3.951 2.997 -5.110 1.00 . A A . 12 PHE HE1 1 1
14 3000 1 1 12 PHE HE2 H -1.787 -0.216 -3.347 1.00 . A A . 12 PHE HE2 1 1
14 3001 1 1 12 PHE HZ H -1.982 1.525 -5.077 1.00 . A A . 12 PHE HZ 1 1
14 3002 1 1 12 PHE N N -4.485 1.655 0.456 1.00 . A A . 12 PHE N 1 1
14 3003 1 1 12 PHE O O -6.808 0.509 1.436 1.00 . A A . 12 PHE O 1 1
14 3004 1 1 13 PRO C C -9.809 0.990 1.625 1.00 . A A . 13 PRO C 1 1
14 3005 1 1 13 PRO CA C -8.988 2.281 1.854 1.00 . A A . 13 PRO CA 1 1
14 3006 1 1 13 PRO CB C -9.857 3.526 1.630 1.00 . A A . 13 PRO CB 1 1
14 3007 1 1 13 PRO CD C -7.987 3.709 0.146 1.00 . A A . 13 PRO CD 1 1
14 3008 1 1 13 PRO CG C -9.434 4.066 0.309 1.00 . A A . 13 PRO CG 1 1
14 3009 1 1 13 PRO HA H -8.621 2.275 2.871 1.00 . A A . 13 PRO HA 1 1
14 3010 1 1 13 PRO HB2 H -10.898 3.238 1.628 1.00 . A A . 13 PRO HB2 1 1
14 3011 1 1 13 PRO HB3 H -9.679 4.238 2.422 1.00 . A A . 13 PRO HB3 1 1
14 3012 1 1 13 PRO HD2 H -7.754 3.555 -0.898 1.00 . A A . 13 PRO HD2 1 1
14 3013 1 1 13 PRO HD3 H -7.355 4.477 0.567 1.00 . A A . 13 PRO HD3 1 1
14 3014 1 1 13 PRO HG2 H -10.025 3.615 -0.473 1.00 . A A . 13 PRO HG2 1 1
14 3015 1 1 13 PRO HG3 H -9.558 5.140 0.298 1.00 . A A . 13 PRO HG3 1 1
14 3016 1 1 13 PRO N N -7.858 2.452 0.909 1.00 . A A . 13 PRO N 1 1
14 3017 1 1 13 PRO O O -10.686 0.659 2.412 1.00 . A A . 13 PRO O 1 1
14 3018 1 1 14 ASP C C -9.603 -2.070 1.231 1.00 . A A . 14 ASP C 1 1
14 3019 1 1 14 ASP CA C -10.144 -1.026 0.268 1.00 . A A . 14 ASP CA 1 1
14 3020 1 1 14 ASP CB C -9.871 -1.521 -1.165 1.00 . A A . 14 ASP CB 1 1
14 3021 1 1 14 ASP CG C -10.418 -0.633 -2.250 1.00 . A A . 14 ASP CG 1 1
14 3022 1 1 14 ASP H H -8.858 0.648 -0.086 1.00 . A A . 14 ASP H 1 1
14 3023 1 1 14 ASP HA H -11.208 -0.922 0.415 1.00 . A A . 14 ASP HA 1 1
14 3024 1 1 14 ASP HB2 H -8.803 -1.595 -1.307 1.00 . A A . 14 ASP HB2 1 1
14 3025 1 1 14 ASP HB3 H -10.301 -2.506 -1.276 1.00 . A A . 14 ASP HB3 1 1
14 3026 1 1 14 ASP N N -9.511 0.272 0.541 1.00 . A A . 14 ASP N 1 1
14 3027 1 1 14 ASP O O -10.238 -3.101 1.477 1.00 . A A . 14 ASP O 1 1
14 3028 1 1 14 ASP OD1 O -9.630 0.078 -2.901 1.00 . A A . 14 ASP OD1 1 1
14 3029 1 1 14 ASP OD2 O -11.642 -0.632 -2.482 1.00 . A A . 14 ASP OD2 1 1
14 3030 2 2 1 . C C -1.841 -0.776 3.663 1.00 . B A . 101 WMH C 1 1
14 3031 2 2 1 . C1 C -1.218 1.558 3.617 1.00 . B A . 101 WMH C1 1 1
14 3032 2 2 1 . C2 C -0.103 2.277 3.901 1.00 . B A . 101 WMH C2 1 1
14 3033 2 2 1 . H1 H -2.378 -0.989 4.572 1.00 . B A . 101 WMH H1 1 1
14 3034 2 2 1 . H2 H -2.580 -0.405 2.971 1.00 . B A . 101 WMH H2 1 1
14 3035 2 2 1 . H5 H 0.001 3.346 3.792 1.00 . B A . 101 WMH H5 1 1
14 3036 2 2 1 . N N -0.963 0.297 3.867 1.00 . B A . 101 WMH N 1 1
14 3037 2 2 1 . N1 N 0.835 1.439 4.334 1.00 . B A . 101 WMH N1 1 1
14 3038 2 2 1 . N2 N 0.364 0.232 4.335 1.00 . B A . 101 WMH N2 1 1
15 3039 1 1 1 GLY C C -6.576 -3.342 1.160 1.00 . A A . 1 GLY C 1 1
15 3040 1 1 1 GLY CA C -7.785 -2.952 1.940 1.00 . A A . 1 GLY CA 1 1
15 3041 1 1 1 GLY H1 H -8.108 -1.036 1.169 1.00 . A A . 1 GLY H1 1 1
15 3042 1 1 1 GLY HA2 H -7.494 -2.573 2.910 1.00 . A A . 1 GLY HA2 1 1
15 3043 1 1 1 GLY HA3 H -8.420 -3.817 2.059 1.00 . A A . 1 GLY HA3 1 1
15 3044 1 1 1 GLY N N -8.487 -1.939 1.224 1.00 . A A . 1 GLY N 1 1
15 3045 1 1 1 GLY O O -6.424 -4.500 0.753 1.00 . A A . 1 GLY O 1 1
15 3046 1 1 2 ARG C C -3.433 -1.759 0.655 1.00 . A A . 2 ARG C 1 1
15 3047 1 1 2 ARG CA C -4.565 -2.587 0.102 1.00 . A A . 2 ARG CA 1 1
15 3048 1 1 2 ARG CB C -4.835 -2.188 -1.352 1.00 . A A . 2 ARG CB 1 1
15 3049 1 1 2 ARG CD C -3.499 -3.968 -2.523 1.00 . A A . 2 ARG CD 1 1
15 3050 1 1 2 ARG CG C -3.691 -2.476 -2.320 1.00 . A A . 2 ARG CG 1 1
15 3051 1 1 2 ARG CZ C -4.993 -5.897 -3.093 1.00 . A A . 2 ARG CZ 1 1
15 3052 1 1 2 ARG H H -5.904 -1.478 1.271 1.00 . A A . 2 ARG H 1 1
15 3053 1 1 2 ARG HA H -4.309 -3.636 0.137 1.00 . A A . 2 ARG HA 1 1
15 3054 1 1 2 ARG HB2 H -5.704 -2.729 -1.693 1.00 . A A . 2 ARG HB2 1 1
15 3055 1 1 2 ARG HB3 H -5.049 -1.132 -1.385 1.00 . A A . 2 ARG HB3 1 1
15 3056 1 1 2 ARG HD2 H -2.654 -4.118 -3.180 1.00 . A A . 2 ARG HD2 1 1
15 3057 1 1 2 ARG HD3 H -3.304 -4.430 -1.568 1.00 . A A . 2 ARG HD3 1 1
15 3058 1 1 2 ARG HE H -5.294 -3.950 -3.576 1.00 . A A . 2 ARG HE 1 1
15 3059 1 1 2 ARG HG2 H -3.908 -2.015 -3.272 1.00 . A A . 2 ARG HG2 1 1
15 3060 1 1 2 ARG HG3 H -2.781 -2.056 -1.916 1.00 . A A . 2 ARG HG3 1 1
15 3061 1 1 2 ARG HH11 H -3.323 -6.478 -2.054 1.00 . A A . 2 ARG HH11 1 1
15 3062 1 1 2 ARG HH12 H -4.383 -7.751 -2.455 1.00 . A A . 2 ARG HH12 1 1
15 3063 1 1 2 ARG HH21 H -6.721 -5.692 -4.151 1.00 . A A . 2 ARG HH21 1 1
15 3064 1 1 2 ARG HH22 H -6.392 -7.289 -3.682 1.00 . A A . 2 ARG HH22 1 1
15 3065 1 1 2 ARG N N -5.740 -2.373 0.898 1.00 . A A . 2 ARG N 1 1
15 3066 1 1 2 ARG NE N -4.692 -4.587 -3.121 1.00 . A A . 2 ARG NE 1 1
15 3067 1 1 2 ARG NH1 N -4.178 -6.771 -2.494 1.00 . A A . 2 ARG NH1 1 1
15 3068 1 1 2 ARG NH2 N -6.102 -6.327 -3.679 1.00 . A A . 2 ARG NH2 1 1
15 3069 1 1 2 ARG O O -3.536 -0.547 0.735 1.00 . A A . 2 ARG O 1 1
15 3070 1 1 3 ALA C C -0.014 -2.420 0.916 1.00 . A A . 3 ALA C 1 1
15 3071 1 1 3 ALA CA C -1.212 -1.786 1.568 1.00 . A A . 3 ALA CA 1 1
15 3072 1 1 3 ALA CB C -1.188 -1.917 3.096 1.00 . A A . 3 ALA CB 1 1
15 3073 1 1 3 ALA H H -2.394 -3.394 1.007 1.00 . A A . 3 ALA H 1 1
15 3074 1 1 3 ALA HA H -1.243 -0.741 1.298 1.00 . A A . 3 ALA HA 1 1
15 3075 1 1 3 ALA HB2 H -0.163 -1.918 3.434 1.00 . A A . 3 ALA HB2 1 1
15 3076 1 1 3 ALA HB3 H -1.653 -2.852 3.373 1.00 . A A . 3 ALA HB3 1 1
15 3077 1 1 3 ALA N N -2.397 -2.412 1.050 1.00 . A A . 3 ALA N 1 1
15 3078 1 1 3 ALA O O 0.043 -3.646 0.776 1.00 . A A . 3 ALA O 1 1
15 3079 1 1 4 THR C C 3.188 -2.489 0.700 1.00 . A A . 4 THR C 1 1
15 3080 1 1 4 THR CA C 2.054 -2.087 -0.242 1.00 . A A . 4 THR CA 1 1
15 3081 1 1 4 THR CB C 2.524 -1.034 -1.267 1.00 . A A . 4 THR CB 1 1
15 3082 1 1 4 THR CG2 C 1.524 -0.933 -2.410 1.00 . A A . 4 THR CG2 1 1
15 3083 1 1 4 THR H H 0.837 -0.639 0.606 1.00 . A A . 4 THR H 1 1
15 3084 1 1 4 THR HA H 1.745 -2.965 -0.788 1.00 . A A . 4 THR HA 1 1
15 3085 1 1 4 THR HB H 3.484 -1.332 -1.663 1.00 . A A . 4 THR HB 1 1
15 3086 1 1 4 THR HG1 H 3.458 0.655 -0.981 1.00 . A A . 4 THR HG1 1 1
15 3087 1 1 4 THR HG21 H 1.860 -0.198 -3.128 1.00 . A A . 4 THR HG21 1 1
15 3088 1 1 4 THR HG22 H 0.563 -0.635 -2.018 1.00 . A A . 4 THR HG22 1 1
15 3089 1 1 4 THR HG23 H 1.433 -1.893 -2.894 1.00 . A A . 4 THR HG23 1 1
15 3090 1 1 4 THR N N 0.905 -1.609 0.471 1.00 . A A . 4 THR N 1 1
15 3091 1 1 4 THR O O 3.439 -1.830 1.712 1.00 . A A . 4 THR O 1 1
15 3092 1 1 4 THR OG1 O 2.652 0.254 -0.626 1.00 . A A . 4 THR OG1 1 1
15 3093 1 1 5 LYS C C 6.286 -3.592 0.614 1.00 . A A . 5 LYS C 1 1
15 3094 1 1 5 LYS CA C 4.953 -4.085 1.175 1.00 . A A . 5 LYS CA 1 1
15 3095 1 1 5 LYS CB C 4.898 -5.625 1.262 1.00 . A A . 5 LYS CB 1 1
15 3096 1 1 5 LYS CD C 4.833 -7.870 0.119 1.00 . A A . 5 LYS CD 1 1
15 3097 1 1 5 LYS CE C 4.882 -8.630 -1.203 1.00 . A A . 5 LYS CE 1 1
15 3098 1 1 5 LYS CG C 4.954 -6.360 -0.079 1.00 . A A . 5 LYS CG 1 1
15 3099 1 1 5 LYS H H 3.623 -4.050 -0.458 1.00 . A A . 5 LYS H 1 1
15 3100 1 1 5 LYS HA H 4.835 -3.671 2.165 1.00 . A A . 5 LYS HA 1 1
15 3101 1 1 5 LYS HB2 H 5.730 -5.960 1.862 1.00 . A A . 5 LYS HB2 1 1
15 3102 1 1 5 LYS HB3 H 3.982 -5.905 1.761 1.00 . A A . 5 LYS HB3 1 1
15 3103 1 1 5 LYS HD2 H 5.649 -8.210 0.738 1.00 . A A . 5 LYS HD2 1 1
15 3104 1 1 5 LYS HD3 H 3.896 -8.082 0.613 1.00 . A A . 5 LYS HD3 1 1
15 3105 1 1 5 LYS HE2 H 4.727 -9.680 -1.009 1.00 . A A . 5 LYS HE2 1 1
15 3106 1 1 5 LYS HE3 H 4.087 -8.264 -1.837 1.00 . A A . 5 LYS HE3 1 1
15 3107 1 1 5 LYS HG2 H 4.138 -6.022 -0.698 1.00 . A A . 5 LYS HG2 1 1
15 3108 1 1 5 LYS HG3 H 5.894 -6.139 -0.563 1.00 . A A . 5 LYS HG3 1 1
15 3109 1 1 5 LYS HZ1 H 6.183 -9.008 -2.786 1.00 . A A . 5 LYS HZ1 1 1
15 3110 1 1 5 LYS HZ2 H 6.970 -8.787 -1.319 1.00 . A A . 5 LYS HZ2 1 1
15 3111 1 1 5 LYS HZ3 H 6.347 -7.465 -2.138 1.00 . A A . 5 LYS HZ3 1 1
15 3112 1 1 5 LYS N N 3.856 -3.577 0.371 1.00 . A A . 5 LYS N 1 1
15 3113 1 1 5 LYS NZ N 6.172 -8.463 -1.902 1.00 . A A . 5 LYS NZ 1 1
15 3114 1 1 5 LYS O O 7.367 -3.966 1.072 1.00 . A A . 5 LYS O 1 1
15 3115 1 1 6 SER C C 7.256 -0.628 -0.734 1.00 . A A . 6 SER C 1 1
15 3116 1 1 6 SER CA C 7.320 -2.134 -0.980 1.00 . A A . 6 SER CA 1 1
15 3117 1 1 6 SER CB C 7.310 -2.442 -2.471 1.00 . A A . 6 SER CB 1 1
15 3118 1 1 6 SER H H 5.296 -2.484 -0.681 1.00 . A A . 6 SER H 1 1
15 3119 1 1 6 SER HA H 8.217 -2.536 -0.533 1.00 . A A . 6 SER HA 1 1
15 3120 1 1 6 SER HB2 H 6.405 -2.046 -2.899 1.00 . A A . 6 SER HB2 1 1
15 3121 1 1 6 SER HB3 H 8.171 -1.996 -2.947 1.00 . A A . 6 SER HB3 1 1
15 3122 1 1 6 SER HG H 7.899 -4.212 -2.027 1.00 . A A . 6 SER HG 1 1
15 3123 1 1 6 SER N N 6.187 -2.741 -0.363 1.00 . A A . 6 SER N 1 1
15 3124 1 1 6 SER O O 6.257 -0.126 -0.194 1.00 . A A . 6 SER O 1 1
15 3125 1 1 6 SER OG O 7.323 -3.846 -2.711 1.00 . A A . 6 SER OG 1 1
15 3126 1 1 7 ILE C C 7.853 2.227 -2.152 1.00 . A A . 7 ILE C 1 1
15 3127 1 1 7 ILE CA C 8.357 1.509 -0.886 1.00 . A A . 7 ILE CA 1 1
15 3128 1 1 7 ILE CB C 9.818 1.956 -0.544 1.00 . A A . 7 ILE CB 1 1
15 3129 1 1 7 ILE CD1 C 11.712 1.605 1.164 1.00 . A A . 7 ILE CD1 1 1
15 3130 1 1 7 ILE CG1 C 10.290 1.268 0.752 1.00 . A A . 7 ILE CG1 1 1
15 3131 1 1 7 ILE CG2 C 9.926 3.475 -0.414 1.00 . A A . 7 ILE CG2 1 1
15 3132 1 1 7 ILE H H 9.064 -0.366 -1.513 1.00 . A A . 7 ILE H 1 1
15 3133 1 1 7 ILE HA H 7.711 1.748 -0.054 1.00 . A A . 7 ILE HA 1 1
15 3134 1 1 7 ILE HB H 10.462 1.641 -1.352 1.00 . A A . 7 ILE HB 1 1
15 3135 1 1 7 ILE HD11 H 11.803 2.672 1.301 1.00 . A A . 7 ILE HD11 1 1
15 3136 1 1 7 ILE HD12 H 12.400 1.278 0.398 1.00 . A A . 7 ILE HD12 1 1
15 3137 1 1 7 ILE HD13 H 11.945 1.105 2.092 1.00 . A A . 7 ILE HD13 1 1
15 3138 1 1 7 ILE HG12 H 9.642 1.567 1.560 1.00 . A A . 7 ILE HG12 1 1
15 3139 1 1 7 ILE HG13 H 10.223 0.197 0.624 1.00 . A A . 7 ILE HG13 1 1
15 3140 1 1 7 ILE HG21 H 9.593 3.943 -1.329 1.00 . A A . 7 ILE HG21 1 1
15 3141 1 1 7 ILE HG22 H 10.958 3.737 -0.233 1.00 . A A . 7 ILE HG22 1 1
15 3142 1 1 7 ILE HG23 H 9.321 3.814 0.413 1.00 . A A . 7 ILE HG23 1 1
15 3143 1 1 7 ILE N N 8.298 0.076 -1.085 1.00 . A A . 7 ILE N 1 1
15 3144 1 1 7 ILE O O 8.239 1.860 -3.269 1.00 . A A . 7 ILE O 1 1
15 3145 1 1 8 PRO C C 5.260 2.988 -0.254 1.00 . A A . 8 PRO C 1 1
15 3146 1 1 8 PRO CA C 6.495 3.752 -0.738 1.00 . A A . 8 PRO CA 1 1
15 3147 1 1 8 PRO CB C 6.109 5.210 -1.055 1.00 . A A . 8 PRO CB 1 1
15 3148 1 1 8 PRO CD C 6.469 4.047 -3.118 1.00 . A A . 8 PRO CD 1 1
15 3149 1 1 8 PRO CG C 6.410 5.411 -2.511 1.00 . A A . 8 PRO CG 1 1
15 3150 1 1 8 PRO HA H 7.255 3.743 0.030 1.00 . A A . 8 PRO HA 1 1
15 3151 1 1 8 PRO HB2 H 5.058 5.351 -0.849 1.00 . A A . 8 PRO HB2 1 1
15 3152 1 1 8 PRO HB3 H 6.692 5.871 -0.434 1.00 . A A . 8 PRO HB3 1 1
15 3153 1 1 8 PRO HD2 H 5.483 3.713 -3.404 1.00 . A A . 8 PRO HD2 1 1
15 3154 1 1 8 PRO HD3 H 7.140 4.030 -3.964 1.00 . A A . 8 PRO HD3 1 1
15 3155 1 1 8 PRO HG2 H 5.626 5.993 -2.973 1.00 . A A . 8 PRO HG2 1 1
15 3156 1 1 8 PRO HG3 H 7.359 5.912 -2.620 1.00 . A A . 8 PRO HG3 1 1
15 3157 1 1 8 PRO N N 6.998 3.254 -2.019 1.00 . A A . 8 PRO N 1 1
15 3158 1 1 8 PRO O O 4.477 2.476 -1.065 1.00 . A A . 8 PRO O 1 1
15 3159 1 1 9 PRO C C 2.677 3.124 1.479 1.00 . A A . 9 PRO C 1 1
15 3160 1 1 9 PRO CA C 3.906 2.232 1.622 1.00 . A A . 9 PRO CA 1 1
15 3161 1 1 9 PRO CB C 4.270 2.034 3.095 1.00 . A A . 9 PRO CB 1 1
15 3162 1 1 9 PRO CD C 5.966 3.419 2.116 1.00 . A A . 9 PRO CD 1 1
15 3163 1 1 9 PRO CG C 5.225 3.135 3.397 1.00 . A A . 9 PRO CG 1 1
15 3164 1 1 9 PRO HA H 3.725 1.281 1.144 1.00 . A A . 9 PRO HA 1 1
15 3165 1 1 9 PRO HB2 H 3.376 2.102 3.699 1.00 . A A . 9 PRO HB2 1 1
15 3166 1 1 9 PRO HB3 H 4.728 1.066 3.230 1.00 . A A . 9 PRO HB3 1 1
15 3167 1 1 9 PRO HD2 H 6.112 4.482 1.994 1.00 . A A . 9 PRO HD2 1 1
15 3168 1 1 9 PRO HD3 H 6.918 2.908 2.102 1.00 . A A . 9 PRO HD3 1 1
15 3169 1 1 9 PRO HG2 H 4.673 4.010 3.708 1.00 . A A . 9 PRO HG2 1 1
15 3170 1 1 9 PRO HG3 H 5.909 2.832 4.175 1.00 . A A . 9 PRO HG3 1 1
15 3171 1 1 9 PRO N N 5.069 2.891 1.063 1.00 . A A . 9 PRO N 1 1
15 3172 1 1 9 PRO O O 2.570 4.189 2.122 1.00 . A A . 9 PRO O 1 1
15 3173 1 1 10 ILE C C -0.562 2.577 0.666 1.00 . A A . 10 ILE C 1 1
15 3174 1 1 10 ILE CA C 0.602 3.489 0.369 1.00 . A A . 10 ILE CA 1 1
15 3175 1 1 10 ILE CB C 0.533 4.069 -1.084 1.00 . A A . 10 ILE CB 1 1
15 3176 1 1 10 ILE CD1 C -0.851 5.566 -2.641 1.00 . A A . 10 ILE CD1 1 1
15 3177 1 1 10 ILE CG1 C -0.749 4.899 -1.286 1.00 . A A . 10 ILE CG1 1 1
15 3178 1 1 10 ILE CG2 C 0.648 2.963 -2.134 1.00 . A A . 10 ILE CG2 1 1
15 3179 1 1 10 ILE H H 1.961 1.923 0.089 1.00 . A A . 10 ILE H 1 1
15 3180 1 1 10 ILE HA H 0.584 4.300 1.082 1.00 . A A . 10 ILE HA 1 1
15 3181 1 1 10 ILE HB H 1.387 4.718 -1.211 1.00 . A A . 10 ILE HB 1 1
15 3182 1 1 10 ILE HD11 H -1.770 6.127 -2.700 1.00 . A A . 10 ILE HD11 1 1
15 3183 1 1 10 ILE HD12 H -0.842 4.809 -3.412 1.00 . A A . 10 ILE HD12 1 1
15 3184 1 1 10 ILE HD13 H -0.011 6.231 -2.782 1.00 . A A . 10 ILE HD13 1 1
15 3185 1 1 10 ILE HG12 H -1.607 4.253 -1.176 1.00 . A A . 10 ILE HG12 1 1
15 3186 1 1 10 ILE HG13 H -0.793 5.670 -0.530 1.00 . A A . 10 ILE HG13 1 1
15 3187 1 1 10 ILE HG21 H 0.603 3.395 -3.123 1.00 . A A . 10 ILE HG21 1 1
15 3188 1 1 10 ILE HG22 H -0.168 2.267 -2.007 1.00 . A A . 10 ILE HG22 1 1
15 3189 1 1 10 ILE HG23 H 1.585 2.443 -2.004 1.00 . A A . 10 ILE HG23 1 1
15 3190 1 1 10 ILE N N 1.809 2.751 0.600 1.00 . A A . 10 ILE N 1 1
15 3191 1 1 10 ILE O O -0.520 1.374 0.348 1.00 . A A . 10 ILE O 1 1
15 3192 1 1 11 ALA C C -3.943 2.781 1.193 1.00 . A A . 11 ALA C 1 1
15 3193 1 1 11 ALA CA C -2.649 2.265 1.724 1.00 . A A . 11 ALA CA 1 1
15 3194 1 1 11 ALA CB C -2.709 2.074 3.235 1.00 . A A . 11 ALA CB 1 1
15 3195 1 1 11 ALA H H -1.578 4.049 1.545 1.00 . A A . 11 ALA H 1 1
15 3196 1 1 11 ALA HA H -2.477 1.294 1.279 1.00 . A A . 11 ALA HA 1 1
15 3197 1 1 11 ALA HB1 H -3.470 1.337 3.445 1.00 . A A . 11 ALA HB1 1 1
15 3198 1 1 11 ALA HB2 H -2.973 2.980 3.751 1.00 . A A . 11 ALA HB2 1 1
15 3199 1 1 11 ALA N N -1.560 3.092 1.327 1.00 . A A . 11 ALA N 1 1
15 3200 1 1 11 ALA O O -4.202 3.985 1.196 1.00 . A A . 11 ALA O 1 1
15 3201 1 1 12 PHE C C -7.117 1.602 0.963 1.00 . A A . 12 PHE C 1 1
15 3202 1 1 12 PHE CA C -5.999 2.185 0.126 1.00 . A A . 12 PHE CA 1 1
15 3203 1 1 12 PHE CB C -6.055 1.599 -1.291 1.00 . A A . 12 PHE CB 1 1
15 3204 1 1 12 PHE CD1 C -5.032 3.148 -2.993 1.00 . A A . 12 PHE CD1 1 1
15 3205 1 1 12 PHE CD2 C -3.750 1.276 -2.269 1.00 . A A . 12 PHE CD2 1 1
15 3206 1 1 12 PHE CE1 C -4.006 3.522 -3.835 1.00 . A A . 12 PHE CE1 1 1
15 3207 1 1 12 PHE CE2 C -2.721 1.647 -3.108 1.00 . A A . 12 PHE CE2 1 1
15 3208 1 1 12 PHE CG C -4.922 2.022 -2.200 1.00 . A A . 12 PHE CG 1 1
15 3209 1 1 12 PHE CZ C -2.850 2.772 -3.893 1.00 . A A . 12 PHE CZ 1 1
15 3210 1 1 12 PHE H H -4.465 0.943 0.879 1.00 . A A . 12 PHE H 1 1
15 3211 1 1 12 PHE HA H -6.090 3.261 0.071 1.00 . A A . 12 PHE HA 1 1
15 3212 1 1 12 PHE HB2 H -6.054 0.523 -1.226 1.00 . A A . 12 PHE HB2 1 1
15 3213 1 1 12 PHE HB3 H -6.981 1.910 -1.751 1.00 . A A . 12 PHE HB3 1 1
15 3214 1 1 12 PHE HD1 H -5.932 3.743 -2.951 1.00 . A A . 12 PHE HD1 1 1
15 3215 1 1 12 PHE HD2 H -3.645 0.395 -1.653 1.00 . A A . 12 PHE HD2 1 1
15 3216 1 1 12 PHE HE1 H -4.105 4.406 -4.447 1.00 . A A . 12 PHE HE1 1 1
15 3217 1 1 12 PHE HE2 H -1.815 1.060 -3.152 1.00 . A A . 12 PHE HE2 1 1
15 3218 1 1 12 PHE HZ H -2.047 3.068 -4.553 1.00 . A A . 12 PHE HZ 1 1
15 3219 1 1 12 PHE N N -4.743 1.881 0.753 1.00 . A A . 12 PHE N 1 1
15 3220 1 1 12 PHE O O -7.031 0.430 1.350 1.00 . A A . 12 PHE O 1 1
15 3221 1 1 13 PRO C C -10.003 0.677 1.649 1.00 . A A . 13 PRO C 1 1
15 3222 1 1 13 PRO CA C -9.328 1.987 2.106 1.00 . A A . 13 PRO CA 1 1
15 3223 1 1 13 PRO CB C -10.307 3.166 2.014 1.00 . A A . 13 PRO CB 1 1
15 3224 1 1 13 PRO CD C -8.309 3.809 0.855 1.00 . A A . 13 PRO CD 1 1
15 3225 1 1 13 PRO CG C -9.782 4.052 0.935 1.00 . A A . 13 PRO CG 1 1
15 3226 1 1 13 PRO HA H -9.017 1.862 3.131 1.00 . A A . 13 PRO HA 1 1
15 3227 1 1 13 PRO HB2 H -11.296 2.799 1.775 1.00 . A A . 13 PRO HB2 1 1
15 3228 1 1 13 PRO HB3 H -10.335 3.683 2.962 1.00 . A A . 13 PRO HB3 1 1
15 3229 1 1 13 PRO HD2 H -7.971 3.947 -0.162 1.00 . A A . 13 PRO HD2 1 1
15 3230 1 1 13 PRO HD3 H -7.777 4.468 1.526 1.00 . A A . 13 PRO HD3 1 1
15 3231 1 1 13 PRO HG2 H -10.252 3.807 -0.006 1.00 . A A . 13 PRO HG2 1 1
15 3232 1 1 13 PRO HG3 H -9.977 5.084 1.185 1.00 . A A . 13 PRO HG3 1 1
15 3233 1 1 13 PRO N N -8.170 2.406 1.273 1.00 . A A . 13 PRO N 1 1
15 3234 1 1 13 PRO O O -10.729 0.049 2.416 1.00 . A A . 13 PRO O 1 1
15 3235 1 1 14 ASP C C -9.635 -2.180 0.641 1.00 . A A . 14 ASP C 1 1
15 3236 1 1 14 ASP CA C -10.224 -1.007 -0.155 1.00 . A A . 14 ASP CA 1 1
15 3237 1 1 14 ASP CB C -9.787 -1.130 -1.631 1.00 . A A . 14 ASP CB 1 1
15 3238 1 1 14 ASP CG C -10.072 -2.497 -2.253 1.00 . A A . 14 ASP CG 1 1
15 3239 1 1 14 ASP H H -9.259 0.901 -0.179 1.00 . A A . 14 ASP H 1 1
15 3240 1 1 14 ASP HA H -11.302 -1.040 -0.104 1.00 . A A . 14 ASP HA 1 1
15 3241 1 1 14 ASP HB2 H -10.307 -0.385 -2.215 1.00 . A A . 14 ASP HB2 1 1
15 3242 1 1 14 ASP HB3 H -8.726 -0.942 -1.693 1.00 . A A . 14 ASP HB3 1 1
15 3243 1 1 14 ASP N N -9.759 0.284 0.396 1.00 . A A . 14 ASP N 1 1
15 3244 1 1 14 ASP O O -10.233 -3.257 0.748 1.00 . A A . 14 ASP O 1 1
15 3245 1 1 14 ASP OD1 O -11.218 -2.750 -2.678 1.00 . A A . 14 ASP OD1 1 1
15 3246 1 1 14 ASP OD2 O -9.142 -3.324 -2.375 1.00 . A A . 14 ASP OD2 1 1
15 3247 2 2 1 . C C -1.924 -0.784 3.799 1.00 . B A . 101 WMH C 1 1
15 3248 2 2 1 . C1 C -1.423 1.579 3.833 1.00 . B A . 101 WMH C1 1 1
15 3249 2 2 1 . C2 C -0.348 2.332 4.174 1.00 . B A . 101 WMH C2 1 1
15 3250 2 2 1 . H1 H -2.499 -1.035 4.672 1.00 . B A . 101 WMH H1 1 1
15 3251 2 2 1 . H2 H -2.643 -0.442 3.070 1.00 . B A . 101 WMH H2 1 1
15 3252 2 2 1 . H5 H -0.277 3.407 4.104 1.00 . B A . 101 WMH H5 1 1
15 3253 2 2 1 . N N -1.116 0.319 4.051 1.00 . B A . 101 WMH N 1 1
15 3254 2 2 1 . N1 N 0.606 1.516 4.603 1.00 . B A . 101 WMH N1 1 1
15 3255 2 2 1 . N2 N 0.189 0.298 4.550 1.00 . B A . 101 WMH N2 1 1
16 3256 1 1 1 GLY C C -6.681 -3.328 0.574 1.00 . A A . 1 GLY C 1 1
16 3257 1 1 1 GLY CA C -7.760 -3.093 1.580 1.00 . A A . 1 GLY CA 1 1
16 3258 1 1 1 GLY H1 H -8.139 -1.057 1.270 1.00 . A A . 1 GLY H1 1 1
16 3259 1 1 1 GLY HA2 H -7.323 -2.919 2.553 1.00 . A A . 1 GLY HA2 1 1
16 3260 1 1 1 GLY HA3 H -8.397 -3.963 1.617 1.00 . A A . 1 GLY HA3 1 1
16 3261 1 1 1 GLY N N -8.528 -1.957 1.189 1.00 . A A . 1 GLY N 1 1
16 3262 1 1 1 GLY O O -6.661 -4.356 -0.112 1.00 . A A . 1 GLY O 1 1
16 3263 1 1 2 ARG C C -3.531 -1.710 0.056 1.00 . A A . 2 ARG C 1 1
16 3264 1 1 2 ARG CA C -4.736 -2.438 -0.503 1.00 . A A . 2 ARG CA 1 1
16 3265 1 1 2 ARG CB C -5.189 -1.813 -1.829 1.00 . A A . 2 ARG CB 1 1
16 3266 1 1 2 ARG CD C -4.786 -1.409 -4.267 1.00 . A A . 2 ARG CD 1 1
16 3267 1 1 2 ARG CG C -4.209 -1.970 -2.976 1.00 . A A . 2 ARG CG 1 1
16 3268 1 1 2 ARG CZ C -6.849 -1.707 -5.670 1.00 . A A . 2 ARG CZ 1 1
16 3269 1 1 2 ARG H H -5.829 -1.607 1.065 1.00 . A A . 2 ARG H 1 1
16 3270 1 1 2 ARG HA H -4.484 -3.475 -0.667 1.00 . A A . 2 ARG HA 1 1
16 3271 1 1 2 ARG HB2 H -6.132 -2.246 -2.125 1.00 . A A . 2 ARG HB2 1 1
16 3272 1 1 2 ARG HB3 H -5.337 -0.756 -1.665 1.00 . A A . 2 ARG HB3 1 1
16 3273 1 1 2 ARG HD2 H -5.005 -0.361 -4.121 1.00 . A A . 2 ARG HD2 1 1
16 3274 1 1 2 ARG HD3 H -4.053 -1.516 -5.053 1.00 . A A . 2 ARG HD3 1 1
16 3275 1 1 2 ARG HE H -6.241 -2.921 -4.163 1.00 . A A . 2 ARG HE 1 1
16 3276 1 1 2 ARG HG2 H -3.296 -1.445 -2.736 1.00 . A A . 2 ARG HG2 1 1
16 3277 1 1 2 ARG HG3 H -3.999 -3.022 -3.111 1.00 . A A . 2 ARG HG3 1 1
16 3278 1 1 2 ARG HH11 H -5.785 -0.017 -6.166 1.00 . A A . 2 ARG HH11 1 1
16 3279 1 1 2 ARG HH12 H -7.167 -0.293 -7.114 1.00 . A A . 2 ARG HH12 1 1
16 3280 1 1 2 ARG HH21 H -8.174 -3.262 -5.478 1.00 . A A . 2 ARG HH21 1 1
16 3281 1 1 2 ARG HH22 H -8.575 -2.148 -6.688 1.00 . A A . 2 ARG HH22 1 1
16 3282 1 1 2 ARG N N -5.801 -2.377 0.455 1.00 . A A . 2 ARG N 1 1
16 3283 1 1 2 ARG NE N -6.031 -2.104 -4.675 1.00 . A A . 2 ARG NE 1 1
16 3284 1 1 2 ARG NH1 N -6.584 -0.597 -6.359 1.00 . A A . 2 ARG NH1 1 1
16 3285 1 1 2 ARG NH2 N -7.930 -2.417 -5.966 1.00 . A A . 2 ARG NH2 1 1
16 3286 1 1 2 ARG O O -3.497 -0.485 0.084 1.00 . A A . 2 ARG O 1 1
16 3287 1 1 3 ALA C C -0.178 -2.568 0.500 1.00 . A A . 3 ALA C 1 1
16 3288 1 1 3 ALA CA C -1.376 -1.947 1.139 1.00 . A A . 3 ALA CA 1 1
16 3289 1 1 3 ALA CB C -1.341 -2.181 2.659 1.00 . A A . 3 ALA CB 1 1
16 3290 1 1 3 ALA H H -2.742 -3.441 0.575 1.00 . A A . 3 ALA H 1 1
16 3291 1 1 3 ALA HA H -1.354 -0.882 0.964 1.00 . A A . 3 ALA HA 1 1
16 3292 1 1 3 ALA HB2 H -0.315 -2.335 2.960 1.00 . A A . 3 ALA HB2 1 1
16 3293 1 1 3 ALA HB3 H -1.909 -3.071 2.886 1.00 . A A . 3 ALA HB3 1 1
16 3294 1 1 3 ALA N N -2.605 -2.469 0.571 1.00 . A A . 3 ALA N 1 1
16 3295 1 1 3 ALA O O -0.121 -3.798 0.328 1.00 . A A . 3 ALA O 1 1
16 3296 1 1 4 THR C C 3.024 -2.271 0.729 1.00 . A A . 4 THR C 1 1
16 3297 1 1 4 THR CA C 1.994 -2.209 -0.395 1.00 . A A . 4 THR CA 1 1
16 3298 1 1 4 THR CB C 2.473 -1.299 -1.556 1.00 . A A . 4 THR CB 1 1
16 3299 1 1 4 THR CG2 C 1.564 -1.449 -2.769 1.00 . A A . 4 THR CG2 1 1
16 3300 1 1 4 THR H H 0.649 -0.773 0.220 1.00 . A A . 4 THR H 1 1
16 3301 1 1 4 THR HA H 1.832 -3.209 -0.771 1.00 . A A . 4 THR HA 1 1
16 3302 1 1 4 THR HB H 3.475 -1.596 -1.831 1.00 . A A . 4 THR HB 1 1
16 3303 1 1 4 THR HG1 H 3.151 0.490 -1.713 1.00 . A A . 4 THR HG1 1 1
16 3304 1 1 4 THR HG21 H 0.557 -1.167 -2.500 1.00 . A A . 4 THR HG21 1 1
16 3305 1 1 4 THR HG22 H 1.573 -2.475 -3.106 1.00 . A A . 4 THR HG22 1 1
16 3306 1 1 4 THR HG23 H 1.915 -0.807 -3.565 1.00 . A A . 4 THR HG23 1 1
16 3307 1 1 4 THR N N 0.763 -1.747 0.142 1.00 . A A . 4 THR N 1 1
16 3308 1 1 4 THR O O 3.050 -1.401 1.609 1.00 . A A . 4 THR O 1 1
16 3309 1 1 4 THR OG1 O 2.487 0.081 -1.143 1.00 . A A . 4 THR OG1 1 1
16 3310 1 1 5 LYS C C 6.205 -3.134 1.293 1.00 . A A . 5 LYS C 1 1
16 3311 1 1 5 LYS CA C 4.817 -3.501 1.786 1.00 . A A . 5 LYS CA 1 1
16 3312 1 1 5 LYS CB C 4.772 -4.940 2.319 1.00 . A A . 5 LYS CB 1 1
16 3313 1 1 5 LYS CD C 3.466 -6.704 3.605 1.00 . A A . 5 LYS CD 1 1
16 3314 1 1 5 LYS CE C 3.487 -7.768 2.510 1.00 . A A . 5 LYS CE 1 1
16 3315 1 1 5 LYS CG C 3.470 -5.280 3.045 1.00 . A A . 5 LYS CG 1 1
16 3316 1 1 5 LYS H H 3.741 -3.983 0.034 1.00 . A A . 5 LYS H 1 1
16 3317 1 1 5 LYS HA H 4.566 -2.828 2.591 1.00 . A A . 5 LYS HA 1 1
16 3318 1 1 5 LYS HB2 H 4.887 -5.613 1.484 1.00 . A A . 5 LYS HB2 1 1
16 3319 1 1 5 LYS HB3 H 5.593 -5.088 3.004 1.00 . A A . 5 LYS HB3 1 1
16 3320 1 1 5 LYS HD2 H 4.338 -6.834 4.227 1.00 . A A . 5 LYS HD2 1 1
16 3321 1 1 5 LYS HD3 H 2.578 -6.837 4.207 1.00 . A A . 5 LYS HD3 1 1
16 3322 1 1 5 LYS HE2 H 4.356 -7.622 1.885 1.00 . A A . 5 LYS HE2 1 1
16 3323 1 1 5 LYS HE3 H 3.551 -8.737 2.982 1.00 . A A . 5 LYS HE3 1 1
16 3324 1 1 5 LYS HG2 H 3.335 -4.587 3.862 1.00 . A A . 5 LYS HG2 1 1
16 3325 1 1 5 LYS HG3 H 2.652 -5.172 2.347 1.00 . A A . 5 LYS HG3 1 1
16 3326 1 1 5 LYS HZ1 H 2.324 -8.437 0.906 1.00 . A A . 5 LYS HZ1 1 1
16 3327 1 1 5 LYS HZ2 H 2.161 -6.801 1.207 1.00 . A A . 5 LYS HZ2 1 1
16 3328 1 1 5 LYS HZ3 H 1.413 -7.907 2.219 1.00 . A A . 5 LYS HZ3 1 1
16 3329 1 1 5 LYS N N 3.822 -3.310 0.743 1.00 . A A . 5 LYS N 1 1
16 3330 1 1 5 LYS NZ N 2.275 -7.728 1.665 1.00 . A A . 5 LYS NZ 1 1
16 3331 1 1 5 LYS O O 7.218 -3.439 1.934 1.00 . A A . 5 LYS O 1 1
16 3332 1 1 6 SER C C 7.369 -0.492 -0.490 1.00 . A A . 6 SER C 1 1
16 3333 1 1 6 SER CA C 7.459 -2.003 -0.408 1.00 . A A . 6 SER CA 1 1
16 3334 1 1 6 SER CB C 7.619 -2.620 -1.795 1.00 . A A . 6 SER CB 1 1
16 3335 1 1 6 SER H H 5.401 -2.245 -0.267 1.00 . A A . 6 SER H 1 1
16 3336 1 1 6 SER HA H 8.289 -2.291 0.223 1.00 . A A . 6 SER HA 1 1
16 3337 1 1 6 SER HB2 H 6.818 -2.280 -2.433 1.00 . A A . 6 SER HB2 1 1
16 3338 1 1 6 SER HB3 H 8.569 -2.324 -2.213 1.00 . A A . 6 SER HB3 1 1
16 3339 1 1 6 SER HG H 8.389 -4.331 -1.278 1.00 . A A . 6 SER HG 1 1
16 3340 1 1 6 SER N N 6.242 -2.472 0.181 1.00 . A A . 6 SER N 1 1
16 3341 1 1 6 SER O O 6.267 0.045 -0.530 1.00 . A A . 6 SER O 1 1
16 3342 1 1 6 SER OG O 7.573 -4.049 -1.713 1.00 . A A . 6 SER OG 1 1
16 3343 1 1 7 ILE C C 8.243 2.116 -1.955 1.00 . A A . 7 ILE C 1 1
16 3344 1 1 7 ILE CA C 8.511 1.639 -0.525 1.00 . A A . 7 ILE CA 1 1
16 3345 1 1 7 ILE CB C 9.881 2.197 -0.026 1.00 . A A . 7 ILE CB 1 1
16 3346 1 1 7 ILE CD1 C 11.530 2.085 1.917 1.00 . A A . 7 ILE CD1 1 1
16 3347 1 1 7 ILE CG1 C 10.175 1.678 1.387 1.00 . A A . 7 ILE CG1 1 1
16 3348 1 1 7 ILE CG2 C 9.903 3.731 -0.047 1.00 . A A . 7 ILE CG2 1 1
16 3349 1 1 7 ILE H H 9.358 -0.284 -0.496 1.00 . A A . 7 ILE H 1 1
16 3350 1 1 7 ILE HA H 7.724 1.989 0.126 1.00 . A A . 7 ILE HA 1 1
16 3351 1 1 7 ILE HB H 10.652 1.842 -0.692 1.00 . A A . 7 ILE HB 1 1
16 3352 1 1 7 ILE HD11 H 11.588 3.162 1.958 1.00 . A A . 7 ILE HD11 1 1
16 3353 1 1 7 ILE HD12 H 12.300 1.711 1.259 1.00 . A A . 7 ILE HD12 1 1
16 3354 1 1 7 ILE HD13 H 11.669 1.679 2.908 1.00 . A A . 7 ILE HD13 1 1
16 3355 1 1 7 ILE HG12 H 9.429 2.061 2.065 1.00 . A A . 7 ILE HG12 1 1
16 3356 1 1 7 ILE HG13 H 10.127 0.599 1.382 1.00 . A A . 7 ILE HG13 1 1
16 3357 1 1 7 ILE HG21 H 9.144 4.111 0.619 1.00 . A A . 7 ILE HG21 1 1
16 3358 1 1 7 ILE HG22 H 9.708 4.081 -1.049 1.00 . A A . 7 ILE HG22 1 1
16 3359 1 1 7 ILE HG23 H 10.874 4.081 0.275 1.00 . A A . 7 ILE HG23 1 1
16 3360 1 1 7 ILE N N 8.498 0.187 -0.491 1.00 . A A . 7 ILE N 1 1
16 3361 1 1 7 ILE O O 8.826 1.572 -2.899 1.00 . A A . 7 ILE O 1 1
16 3362 1 1 8 PRO C C 5.353 2.967 -0.686 1.00 . A A . 8 PRO C 1 1
16 3363 1 1 8 PRO CA C 6.596 3.772 -1.082 1.00 . A A . 8 PRO CA 1 1
16 3364 1 1 8 PRO CB C 6.166 5.111 -1.728 1.00 . A A . 8 PRO CB 1 1
16 3365 1 1 8 PRO CD C 7.027 3.688 -3.446 1.00 . A A . 8 PRO CD 1 1
16 3366 1 1 8 PRO CG C 6.798 5.121 -3.088 1.00 . A A . 8 PRO CG 1 1
16 3367 1 1 8 PRO HA H 7.209 3.967 -0.215 1.00 . A A . 8 PRO HA 1 1
16 3368 1 1 8 PRO HB2 H 5.089 5.145 -1.795 1.00 . A A . 8 PRO HB2 1 1
16 3369 1 1 8 PRO HB3 H 6.517 5.935 -1.124 1.00 . A A . 8 PRO HB3 1 1
16 3370 1 1 8 PRO HD2 H 6.127 3.248 -3.850 1.00 . A A . 8 PRO HD2 1 1
16 3371 1 1 8 PRO HD3 H 7.851 3.585 -4.136 1.00 . A A . 8 PRO HD3 1 1
16 3372 1 1 8 PRO HG2 H 6.134 5.584 -3.802 1.00 . A A . 8 PRO HG2 1 1
16 3373 1 1 8 PRO HG3 H 7.736 5.653 -3.052 1.00 . A A . 8 PRO HG3 1 1
16 3374 1 1 8 PRO N N 7.355 3.109 -2.154 1.00 . A A . 8 PRO N 1 1
16 3375 1 1 8 PRO O O 4.600 2.519 -1.559 1.00 . A A . 8 PRO O 1 1
16 3376 1 1 9 PRO C C 2.718 2.858 1.028 1.00 . A A . 9 PRO C 1 1
16 3377 1 1 9 PRO CA C 3.976 2.003 1.062 1.00 . A A . 9 PRO CA 1 1
16 3378 1 1 9 PRO CB C 4.323 1.581 2.493 1.00 . A A . 9 PRO CB 1 1
16 3379 1 1 9 PRO CD C 5.919 3.266 1.742 1.00 . A A . 9 PRO CD 1 1
16 3380 1 1 9 PRO CG C 5.472 2.442 2.926 1.00 . A A . 9 PRO CG 1 1
16 3381 1 1 9 PRO HA H 3.824 1.132 0.442 1.00 . A A . 9 PRO HA 1 1
16 3382 1 1 9 PRO HB2 H 3.459 1.732 3.124 1.00 . A A . 9 PRO HB2 1 1
16 3383 1 1 9 PRO HB3 H 4.592 0.534 2.501 1.00 . A A . 9 PRO HB3 1 1
16 3384 1 1 9 PRO HD2 H 5.708 4.311 1.920 1.00 . A A . 9 PRO HD2 1 1
16 3385 1 1 9 PRO HD3 H 6.975 3.120 1.578 1.00 . A A . 9 PRO HD3 1 1
16 3386 1 1 9 PRO HG2 H 5.147 3.094 3.723 1.00 . A A . 9 PRO HG2 1 1
16 3387 1 1 9 PRO HG3 H 6.280 1.815 3.276 1.00 . A A . 9 PRO HG3 1 1
16 3388 1 1 9 PRO N N 5.117 2.759 0.617 1.00 . A A . 9 PRO N 1 1
16 3389 1 1 9 PRO O O 2.579 3.834 1.785 1.00 . A A . 9 PRO O 1 1
16 3390 1 1 10 ILE C C -0.523 2.359 0.396 1.00 . A A . 10 ILE C 1 1
16 3391 1 1 10 ILE CA C 0.622 3.264 -0.016 1.00 . A A . 10 ILE CA 1 1
16 3392 1 1 10 ILE CB C 0.449 3.810 -1.478 1.00 . A A . 10 ILE CB 1 1
16 3393 1 1 10 ILE CD1 C -0.793 5.944 -0.775 1.00 . A A . 10 ILE CD1 1 1
16 3394 1 1 10 ILE CG1 C -0.810 4.682 -1.618 1.00 . A A . 10 ILE CG1 1 1
16 3395 1 1 10 ILE CG2 C 0.449 2.687 -2.515 1.00 . A A . 10 ILE CG2 1 1
16 3396 1 1 10 ILE H H 2.002 1.745 -0.427 1.00 . A A . 10 ILE H 1 1
16 3397 1 1 10 ILE HA H 0.662 4.095 0.674 1.00 . A A . 10 ILE HA 1 1
16 3398 1 1 10 ILE HB H 1.314 4.423 -1.684 1.00 . A A . 10 ILE HB 1 1
16 3399 1 1 10 ILE HD11 H -1.700 6.502 -0.949 1.00 . A A . 10 ILE HD11 1 1
16 3400 1 1 10 ILE HD12 H 0.059 6.549 -1.049 1.00 . A A . 10 ILE HD12 1 1
16 3401 1 1 10 ILE HD13 H -0.728 5.681 0.269 1.00 . A A . 10 ILE HD13 1 1
16 3402 1 1 10 ILE HG12 H -0.919 4.981 -2.650 1.00 . A A . 10 ILE HG12 1 1
16 3403 1 1 10 ILE HG13 H -1.671 4.100 -1.328 1.00 . A A . 10 ILE HG13 1 1
16 3404 1 1 10 ILE HG21 H 1.388 2.156 -2.472 1.00 . A A . 10 ILE HG21 1 1
16 3405 1 1 10 ILE HG22 H 0.315 3.105 -3.502 1.00 . A A . 10 ILE HG22 1 1
16 3406 1 1 10 ILE HG23 H -0.361 2.004 -2.302 1.00 . A A . 10 ILE HG23 1 1
16 3407 1 1 10 ILE N N 1.842 2.536 0.138 1.00 . A A . 10 ILE N 1 1
16 3408 1 1 10 ILE O O -0.502 1.147 0.112 1.00 . A A . 10 ILE O 1 1
16 3409 1 1 11 ALA C C -3.870 2.739 1.239 1.00 . A A . 11 ALA C 1 1
16 3410 1 1 11 ALA CA C -2.562 2.119 1.618 1.00 . A A . 11 ALA CA 1 1
16 3411 1 1 11 ALA CB C -2.482 1.882 3.138 1.00 . A A . 11 ALA CB 1 1
16 3412 1 1 11 ALA H H -1.457 3.860 1.337 1.00 . A A . 11 ALA H 1 1
16 3413 1 1 11 ALA HA H -2.499 1.158 1.126 1.00 . A A . 11 ALA HA 1 1
16 3414 1 1 11 ALA HB1 H -3.280 1.212 3.422 1.00 . A A . 11 ALA HB1 1 1
16 3415 1 1 11 ALA HB2 H -2.606 2.790 3.700 1.00 . A A . 11 ALA HB2 1 1
16 3416 1 1 11 ALA N N -1.468 2.904 1.130 1.00 . A A . 11 ALA N 1 1
16 3417 1 1 11 ALA O O -4.003 3.969 1.191 1.00 . A A . 11 ALA O 1 1
16 3418 1 1 12 PHE C C -7.164 1.597 1.377 1.00 . A A . 12 PHE C 1 1
16 3419 1 1 12 PHE CA C -6.128 2.301 0.526 1.00 . A A . 12 PHE CA 1 1
16 3420 1 1 12 PHE CB C -6.364 1.984 -0.956 1.00 . A A . 12 PHE CB 1 1
16 3421 1 1 12 PHE CD1 C -4.266 2.133 -2.325 1.00 . A A . 12 PHE CD1 1 1
16 3422 1 1 12 PHE CD2 C -5.755 3.992 -2.332 1.00 . A A . 12 PHE CD2 1 1
16 3423 1 1 12 PHE CE1 C -3.421 2.805 -3.176 1.00 . A A . 12 PHE CE1 1 1
16 3424 1 1 12 PHE CE2 C -4.913 4.669 -3.185 1.00 . A A . 12 PHE CE2 1 1
16 3425 1 1 12 PHE CG C -5.442 2.717 -1.892 1.00 . A A . 12 PHE CG 1 1
16 3426 1 1 12 PHE CZ C -3.743 4.075 -3.609 1.00 . A A . 12 PHE CZ 1 1
16 3427 1 1 12 PHE H H -4.603 0.941 0.999 1.00 . A A . 12 PHE H 1 1
16 3428 1 1 12 PHE HA H -6.204 3.368 0.673 1.00 . A A . 12 PHE HA 1 1
16 3429 1 1 12 PHE HB2 H -6.228 0.926 -1.113 1.00 . A A . 12 PHE HB2 1 1
16 3430 1 1 12 PHE HB3 H -7.380 2.244 -1.211 1.00 . A A . 12 PHE HB3 1 1
16 3431 1 1 12 PHE HD1 H -4.008 1.140 -1.986 1.00 . A A . 12 PHE HD1 1 1
16 3432 1 1 12 PHE HD2 H -6.670 4.460 -2.000 1.00 . A A . 12 PHE HD2 1 1
16 3433 1 1 12 PHE HE1 H -2.505 2.337 -3.505 1.00 . A A . 12 PHE HE1 1 1
16 3434 1 1 12 PHE HE2 H -5.169 5.664 -3.520 1.00 . A A . 12 PHE HE2 1 1
16 3435 1 1 12 PHE HZ H -3.080 4.604 -4.279 1.00 . A A . 12 PHE HZ 1 1
16 3436 1 1 12 PHE N N -4.810 1.901 0.941 1.00 . A A . 12 PHE N 1 1
16 3437 1 1 12 PHE O O -7.065 0.381 1.572 1.00 . A A . 12 PHE O 1 1
16 3438 1 1 13 PRO C C -9.937 0.566 2.244 1.00 . A A . 13 PRO C 1 1
16 3439 1 1 13 PRO CA C -9.256 1.839 2.781 1.00 . A A . 13 PRO CA 1 1
16 3440 1 1 13 PRO CB C -10.258 2.989 2.768 1.00 . A A . 13 PRO CB 1 1
16 3441 1 1 13 PRO CD C -8.263 3.825 1.752 1.00 . A A . 13 PRO CD 1 1
16 3442 1 1 13 PRO CG C -9.428 4.208 2.621 1.00 . A A . 13 PRO CG 1 1
16 3443 1 1 13 PRO HA H -8.923 1.671 3.794 1.00 . A A . 13 PRO HA 1 1
16 3444 1 1 13 PRO HB2 H -10.937 2.867 1.937 1.00 . A A . 13 PRO HB2 1 1
16 3445 1 1 13 PRO HB3 H -10.811 3.000 3.694 1.00 . A A . 13 PRO HB3 1 1
16 3446 1 1 13 PRO HD2 H -8.453 4.076 0.721 1.00 . A A . 13 PRO HD2 1 1
16 3447 1 1 13 PRO HD3 H -7.369 4.315 2.105 1.00 . A A . 13 PRO HD3 1 1
16 3448 1 1 13 PRO HG2 H -10.007 4.990 2.150 1.00 . A A . 13 PRO HG2 1 1
16 3449 1 1 13 PRO HG3 H -9.082 4.537 3.591 1.00 . A A . 13 PRO HG3 1 1
16 3450 1 1 13 PRO N N -8.153 2.358 1.918 1.00 . A A . 13 PRO N 1 1
16 3451 1 1 13 PRO O O -10.522 -0.202 3.004 1.00 . A A . 13 PRO O 1 1
16 3452 1 1 14 ASP C C -9.747 -2.088 0.738 1.00 . A A . 14 ASP C 1 1
16 3453 1 1 14 ASP CA C -10.422 -0.814 0.261 1.00 . A A . 14 ASP CA 1 1
16 3454 1 1 14 ASP CB C -10.217 -0.723 -1.257 1.00 . A A . 14 ASP CB 1 1
16 3455 1 1 14 ASP CG C -10.892 0.456 -1.894 1.00 . A A . 14 ASP CG 1 1
16 3456 1 1 14 ASP H H -9.402 1.047 0.400 1.00 . A A . 14 ASP H 1 1
16 3457 1 1 14 ASP HA H -11.481 -0.860 0.464 1.00 . A A . 14 ASP HA 1 1
16 3458 1 1 14 ASP HB2 H -9.159 -0.647 -1.463 1.00 . A A . 14 ASP HB2 1 1
16 3459 1 1 14 ASP HB3 H -10.596 -1.625 -1.713 1.00 . A A . 14 ASP HB3 1 1
16 3460 1 1 14 ASP N N -9.858 0.364 0.935 1.00 . A A . 14 ASP N 1 1
16 3461 1 1 14 ASP O O -10.337 -3.170 0.708 1.00 . A A . 14 ASP O 1 1
16 3462 1 1 14 ASP OD1 O -12.021 0.311 -2.404 1.00 . A A . 14 ASP OD1 1 1
16 3463 1 1 14 ASP OD2 O -10.292 1.557 -1.930 1.00 . A A . 14 ASP OD2 1 1
16 3464 2 2 1 . C C -1.907 -1.040 3.470 1.00 . B A . 101 WMH C 1 1
16 3465 2 2 1 . C1 C -1.189 1.259 3.582 1.00 . B A . 101 WMH C1 1 1
16 3466 2 2 1 . C2 C -0.016 1.899 3.846 1.00 . B A . 101 WMH C2 1 1
16 3467 2 2 1 . H1 H -2.367 -1.308 4.406 1.00 . B A . 101 WMH H1 1 1
16 3468 2 2 1 . H2 H -2.676 -0.598 2.858 1.00 . B A . 101 WMH H2 1 1
16 3469 2 2 1 . H5 H 0.148 2.966 3.835 1.00 . B A . 101 WMH H5 1 1
16 3470 2 2 1 . N N -0.974 -0.028 3.690 1.00 . B A . 101 WMH N 1 1
16 3471 2 2 1 . N1 N 0.904 0.978 4.116 1.00 . B A . 101 WMH N1 1 1
16 3472 2 2 1 . N2 N 0.374 -0.192 4.036 1.00 . B A . 101 WMH N2 1 1
17 3473 1 1 1 GLY C C -6.609 -3.327 0.658 1.00 . A A . 1 GLY C 1 1
17 3474 1 1 1 GLY CA C -7.817 -3.088 1.513 1.00 . A A . 1 GLY CA 1 1
17 3475 1 1 1 GLY H1 H -8.116 -1.052 1.124 1.00 . A A . 1 GLY H1 1 1
17 3476 1 1 1 GLY HA2 H -7.508 -2.931 2.535 1.00 . A A . 1 GLY HA2 1 1
17 3477 1 1 1 GLY HA3 H -8.459 -3.957 1.464 1.00 . A A . 1 GLY HA3 1 1
17 3478 1 1 1 GLY N N -8.541 -1.938 1.062 1.00 . A A . 1 GLY N 1 1
17 3479 1 1 1 GLY O O -6.384 -4.433 0.178 1.00 . A A . 1 GLY O 1 1
17 3480 1 1 2 ARG C C -3.517 -1.646 0.298 1.00 . A A . 2 ARG C 1 1
17 3481 1 1 2 ARG CA C -4.661 -2.362 -0.375 1.00 . A A . 2 ARG CA 1 1
17 3482 1 1 2 ARG CB C -4.912 -1.739 -1.757 1.00 . A A . 2 ARG CB 1 1
17 3483 1 1 2 ARG CD C -6.159 -1.742 -3.921 1.00 . A A . 2 ARG CD 1 1
17 3484 1 1 2 ARG CG C -5.958 -2.445 -2.595 1.00 . A A . 2 ARG CG 1 1
17 3485 1 1 2 ARG CZ C -7.656 -1.978 -5.900 1.00 . A A . 2 ARG CZ 1 1
17 3486 1 1 2 ARG H H -6.024 -1.448 0.930 1.00 . A A . 2 ARG H 1 1
17 3487 1 1 2 ARG HA H -4.403 -3.404 -0.502 1.00 . A A . 2 ARG HA 1 1
17 3488 1 1 2 ARG HB2 H -5.230 -0.717 -1.619 1.00 . A A . 2 ARG HB2 1 1
17 3489 1 1 2 ARG HB3 H -3.981 -1.738 -2.305 1.00 . A A . 2 ARG HB3 1 1
17 3490 1 1 2 ARG HD2 H -6.531 -0.747 -3.734 1.00 . A A . 2 ARG HD2 1 1
17 3491 1 1 2 ARG HD3 H -5.207 -1.679 -4.427 1.00 . A A . 2 ARG HD3 1 1
17 3492 1 1 2 ARG HE H -7.294 -3.380 -4.494 1.00 . A A . 2 ARG HE 1 1
17 3493 1 1 2 ARG HG2 H -5.643 -3.462 -2.775 1.00 . A A . 2 ARG HG2 1 1
17 3494 1 1 2 ARG HG3 H -6.894 -2.450 -2.054 1.00 . A A . 2 ARG HG3 1 1
17 3495 1 1 2 ARG HH11 H -6.885 -0.093 -5.720 1.00 . A A . 2 ARG HH11 1 1
17 3496 1 1 2 ARG HH12 H -7.827 -0.323 -7.105 1.00 . A A . 2 ARG HH12 1 1
17 3497 1 1 2 ARG HH21 H -8.630 -3.711 -6.398 1.00 . A A . 2 ARG HH21 1 1
17 3498 1 1 2 ARG HH22 H -8.846 -2.428 -7.493 1.00 . A A . 2 ARG HH22 1 1
17 3499 1 1 2 ARG N N -5.836 -2.289 0.458 1.00 . A A . 2 ARG N 1 1
17 3500 1 1 2 ARG NE N -7.106 -2.459 -4.781 1.00 . A A . 2 ARG NE 1 1
17 3501 1 1 2 ARG NH1 N -7.447 -0.719 -6.264 1.00 . A A . 2 ARG NH1 1 1
17 3502 1 1 2 ARG NH2 N -8.430 -2.759 -6.639 1.00 . A A . 2 ARG NH2 1 1
17 3503 1 1 2 ARG O O -3.542 -0.433 0.430 1.00 . A A . 2 ARG O 1 1
17 3504 1 1 3 ALA C C -0.164 -2.552 0.790 1.00 . A A . 3 ALA C 1 1
17 3505 1 1 3 ALA CA C -1.360 -1.873 1.363 1.00 . A A . 3 ALA CA 1 1
17 3506 1 1 3 ALA CB C -1.409 -2.026 2.894 1.00 . A A . 3 ALA CB 1 1
17 3507 1 1 3 ALA H H -2.633 -3.370 0.668 1.00 . A A . 3 ALA H 1 1
17 3508 1 1 3 ALA HA H -1.304 -0.821 1.122 1.00 . A A . 3 ALA HA 1 1
17 3509 1 1 3 ALA HB2 H -0.404 -2.179 3.260 1.00 . A A . 3 ALA HB2 1 1
17 3510 1 1 3 ALA HB3 H -2.008 -2.891 3.137 1.00 . A A . 3 ALA HB3 1 1
17 3511 1 1 3 ALA N N -2.560 -2.396 0.750 1.00 . A A . 3 ALA N 1 1
17 3512 1 1 3 ALA O O -0.146 -3.767 0.658 1.00 . A A . 3 ALA O 1 1
17 3513 1 1 4 THR C C 3.120 -2.380 0.889 1.00 . A A . 4 THR C 1 1
17 3514 1 1 4 THR CA C 2.003 -2.324 -0.138 1.00 . A A . 4 THR CA 1 1
17 3515 1 1 4 THR CB C 2.417 -1.506 -1.383 1.00 . A A . 4 THR CB 1 1
17 3516 1 1 4 THR CG2 C 1.472 -1.780 -2.538 1.00 . A A . 4 THR CG2 1 1
17 3517 1 1 4 THR H H 0.770 -0.815 0.534 1.00 . A A . 4 THR H 1 1
17 3518 1 1 4 THR HA H 1.779 -3.332 -0.457 1.00 . A A . 4 THR HA 1 1
17 3519 1 1 4 THR HB H 3.419 -1.789 -1.672 1.00 . A A . 4 THR HB 1 1
17 3520 1 1 4 THR HG1 H 2.830 0.321 -1.845 1.00 . A A . 4 THR HG1 1 1
17 3521 1 1 4 THR HG21 H 1.777 -1.199 -3.396 1.00 . A A . 4 THR HG21 1 1
17 3522 1 1 4 THR HG22 H 0.468 -1.504 -2.255 1.00 . A A . 4 THR HG22 1 1
17 3523 1 1 4 THR HG23 H 1.501 -2.831 -2.788 1.00 . A A . 4 THR HG23 1 1
17 3524 1 1 4 THR N N 0.817 -1.789 0.436 1.00 . A A . 4 THR N 1 1
17 3525 1 1 4 THR O O 3.220 -1.514 1.764 1.00 . A A . 4 THR O 1 1
17 3526 1 1 4 THR OG1 O 2.408 -0.098 -1.082 1.00 . A A . 4 THR OG1 1 1
17 3527 1 1 5 LYS C C 6.318 -3.094 1.090 1.00 . A A . 5 LYS C 1 1
17 3528 1 1 5 LYS CA C 5.043 -3.591 1.728 1.00 . A A . 5 LYS CA 1 1
17 3529 1 1 5 LYS CB C 5.188 -5.054 2.141 1.00 . A A . 5 LYS CB 1 1
17 3530 1 1 5 LYS CD C 3.918 -4.842 4.299 1.00 . A A . 5 LYS CD 1 1
17 3531 1 1 5 LYS CE C 2.844 -5.448 5.182 1.00 . A A . 5 LYS CE 1 1
17 3532 1 1 5 LYS CG C 4.040 -5.589 2.976 1.00 . A A . 5 LYS CG 1 1
17 3533 1 1 5 LYS H H 3.779 -4.080 0.108 1.00 . A A . 5 LYS H 1 1
17 3534 1 1 5 LYS HA H 4.847 -2.994 2.605 1.00 . A A . 5 LYS HA 1 1
17 3535 1 1 5 LYS HB2 H 5.252 -5.656 1.248 1.00 . A A . 5 LYS HB2 1 1
17 3536 1 1 5 LYS HB3 H 6.102 -5.167 2.705 1.00 . A A . 5 LYS HB3 1 1
17 3537 1 1 5 LYS HD2 H 4.864 -4.888 4.820 1.00 . A A . 5 LYS HD2 1 1
17 3538 1 1 5 LYS HD3 H 3.666 -3.812 4.098 1.00 . A A . 5 LYS HD3 1 1
17 3539 1 1 5 LYS HE2 H 2.736 -4.846 6.072 1.00 . A A . 5 LYS HE2 1 1
17 3540 1 1 5 LYS HE3 H 1.911 -5.449 4.636 1.00 . A A . 5 LYS HE3 1 1
17 3541 1 1 5 LYS HG2 H 3.121 -5.466 2.421 1.00 . A A . 5 LYS HG2 1 1
17 3542 1 1 5 LYS HG3 H 4.207 -6.637 3.172 1.00 . A A . 5 LYS HG3 1 1
17 3543 1 1 5 LYS HZ1 H 4.061 -6.862 6.111 1.00 . A A . 5 LYS HZ1 1 1
17 3544 1 1 5 LYS HZ2 H 3.279 -7.445 4.741 1.00 . A A . 5 LYS HZ2 1 1
17 3545 1 1 5 LYS HZ3 H 2.413 -7.218 6.177 1.00 . A A . 5 LYS HZ3 1 1
17 3546 1 1 5 LYS N N 3.927 -3.415 0.816 1.00 . A A . 5 LYS N 1 1
17 3547 1 1 5 LYS NZ N 3.170 -6.834 5.575 1.00 . A A . 5 LYS NZ 1 1
17 3548 1 1 5 LYS O O 7.395 -3.152 1.684 1.00 . A A . 5 LYS O 1 1
17 3549 1 1 6 SER C C 7.396 -0.560 -0.424 1.00 . A A . 6 SER C 1 1
17 3550 1 1 6 SER CA C 7.286 -2.037 -0.822 1.00 . A A . 6 SER CA 1 1
17 3551 1 1 6 SER CB C 7.026 -2.183 -2.318 1.00 . A A . 6 SER CB 1 1
17 3552 1 1 6 SER H H 5.306 -2.636 -0.535 1.00 . A A . 6 SER H 1 1
17 3553 1 1 6 SER HA H 8.191 -2.562 -0.559 1.00 . A A . 6 SER HA 1 1
17 3554 1 1 6 SER HB2 H 6.189 -1.561 -2.600 1.00 . A A . 6 SER HB2 1 1
17 3555 1 1 6 SER HB3 H 7.904 -1.883 -2.869 1.00 . A A . 6 SER HB3 1 1
17 3556 1 1 6 SER HG H 6.757 -4.041 -1.804 1.00 . A A . 6 SER HG 1 1
17 3557 1 1 6 SER N N 6.190 -2.614 -0.113 1.00 . A A . 6 SER N 1 1
17 3558 1 1 6 SER O O 6.569 -0.060 0.354 1.00 . A A . 6 SER O 1 1
17 3559 1 1 6 SER OG O 6.724 -3.543 -2.633 1.00 . A A . 6 SER OG 1 1
17 3560 1 1 7 ILE C C 8.316 2.321 -1.881 1.00 . A A . 7 ILE C 1 1
17 3561 1 1 7 ILE CA C 8.562 1.512 -0.604 1.00 . A A . 7 ILE CA 1 1
17 3562 1 1 7 ILE CB C 9.982 1.813 -0.038 1.00 . A A . 7 ILE CB 1 1
17 3563 1 1 7 ILE CD1 C 11.629 1.088 1.781 1.00 . A A . 7 ILE CD1 1 1
17 3564 1 1 7 ILE CG1 C 10.240 0.947 1.203 1.00 . A A . 7 ILE CG1 1 1
17 3565 1 1 7 ILE CG2 C 10.120 3.296 0.318 1.00 . A A . 7 ILE CG2 1 1
17 3566 1 1 7 ILE H H 9.077 -0.323 -1.460 1.00 . A A . 7 ILE H 1 1
17 3567 1 1 7 ILE HA H 7.821 1.764 0.139 1.00 . A A . 7 ILE HA 1 1
17 3568 1 1 7 ILE HB H 10.715 1.568 -0.793 1.00 . A A . 7 ILE HB 1 1
17 3569 1 1 7 ILE HD11 H 12.359 0.793 1.042 1.00 . A A . 7 ILE HD11 1 1
17 3570 1 1 7 ILE HD12 H 11.721 0.455 2.651 1.00 . A A . 7 ILE HD12 1 1
17 3571 1 1 7 ILE HD13 H 11.798 2.116 2.063 1.00 . A A . 7 ILE HD13 1 1
17 3572 1 1 7 ILE HG12 H 9.538 1.227 1.973 1.00 . A A . 7 ILE HG12 1 1
17 3573 1 1 7 ILE HG13 H 10.086 -0.090 0.946 1.00 . A A . 7 ILE HG13 1 1
17 3574 1 1 7 ILE HG21 H 9.387 3.553 1.067 1.00 . A A . 7 ILE HG21 1 1
17 3575 1 1 7 ILE HG22 H 9.953 3.894 -0.565 1.00 . A A . 7 ILE HG22 1 1
17 3576 1 1 7 ILE HG23 H 11.111 3.484 0.703 1.00 . A A . 7 ILE HG23 1 1
17 3577 1 1 7 ILE N N 8.401 0.116 -0.898 1.00 . A A . 7 ILE N 1 1
17 3578 1 1 7 ILE O O 8.871 1.997 -2.937 1.00 . A A . 7 ILE O 1 1
17 3579 1 1 8 PRO C C 5.420 2.973 -0.466 1.00 . A A . 8 PRO C 1 1
17 3580 1 1 8 PRO CA C 6.733 3.750 -0.629 1.00 . A A . 8 PRO CA 1 1
17 3581 1 1 8 PRO CB C 6.426 5.242 -0.888 1.00 . A A . 8 PRO CB 1 1
17 3582 1 1 8 PRO CD C 7.155 4.231 -2.934 1.00 . A A . 8 PRO CD 1 1
17 3583 1 1 8 PRO CG C 7.002 5.548 -2.236 1.00 . A A . 8 PRO CG 1 1
17 3584 1 1 8 PRO HA H 7.336 3.659 0.262 1.00 . A A . 8 PRO HA 1 1
17 3585 1 1 8 PRO HB2 H 5.355 5.382 -0.881 1.00 . A A . 8 PRO HB2 1 1
17 3586 1 1 8 PRO HB3 H 6.875 5.847 -0.117 1.00 . A A . 8 PRO HB3 1 1
17 3587 1 1 8 PRO HD2 H 6.231 3.939 -3.409 1.00 . A A . 8 PRO HD2 1 1
17 3588 1 1 8 PRO HD3 H 7.965 4.256 -3.648 1.00 . A A . 8 PRO HD3 1 1
17 3589 1 1 8 PRO HG2 H 6.332 6.192 -2.786 1.00 . A A . 8 PRO HG2 1 1
17 3590 1 1 8 PRO HG3 H 7.965 6.026 -2.123 1.00 . A A . 8 PRO HG3 1 1
17 3591 1 1 8 PRO N N 7.465 3.347 -1.830 1.00 . A A . 8 PRO N 1 1
17 3592 1 1 8 PRO O O 4.777 2.598 -1.464 1.00 . A A . 8 PRO O 1 1
17 3593 1 1 9 PRO C C 2.591 2.944 0.720 1.00 . A A . 9 PRO C 1 1
17 3594 1 1 9 PRO CA C 3.763 2.024 1.056 1.00 . A A . 9 PRO CA 1 1
17 3595 1 1 9 PRO CB C 3.816 1.757 2.565 1.00 . A A . 9 PRO CB 1 1
17 3596 1 1 9 PRO CD C 5.789 2.958 2.007 1.00 . A A . 9 PRO CD 1 1
17 3597 1 1 9 PRO CG C 4.781 2.755 3.094 1.00 . A A . 9 PRO CG 1 1
17 3598 1 1 9 PRO HA H 3.667 1.097 0.511 1.00 . A A . 9 PRO HA 1 1
17 3599 1 1 9 PRO HB2 H 2.831 1.890 2.991 1.00 . A A . 9 PRO HB2 1 1
17 3600 1 1 9 PRO HB3 H 4.154 0.747 2.744 1.00 . A A . 9 PRO HB3 1 1
17 3601 1 1 9 PRO HD2 H 6.153 3.973 2.014 1.00 . A A . 9 PRO HD2 1 1
17 3602 1 1 9 PRO HD3 H 6.606 2.261 2.112 1.00 . A A . 9 PRO HD3 1 1
17 3603 1 1 9 PRO HG2 H 4.269 3.682 3.310 1.00 . A A . 9 PRO HG2 1 1
17 3604 1 1 9 PRO HG3 H 5.259 2.374 3.982 1.00 . A A . 9 PRO HG3 1 1
17 3605 1 1 9 PRO N N 5.025 2.685 0.777 1.00 . A A . 9 PRO N 1 1
17 3606 1 1 9 PRO O O 2.589 4.140 1.073 1.00 . A A . 9 PRO O 1 1
17 3607 1 1 10 ILE C C -0.724 2.387 0.125 1.00 . A A . 10 ILE C 1 1
17 3608 1 1 10 ILE CA C 0.466 3.175 -0.368 1.00 . A A . 10 ILE CA 1 1
17 3609 1 1 10 ILE CB C 0.360 3.342 -1.908 1.00 . A A . 10 ILE CB 1 1
17 3610 1 1 10 ILE CD1 C 1.689 3.968 -3.989 1.00 . A A . 10 ILE CD1 1 1
17 3611 1 1 10 ILE CG1 C 1.666 3.897 -2.481 1.00 . A A . 10 ILE CG1 1 1
17 3612 1 1 10 ILE CG2 C -0.788 4.283 -2.251 1.00 . A A . 10 ILE CG2 1 1
17 3613 1 1 10 ILE H H 1.733 1.499 -0.314 1.00 . A A . 10 ILE H 1 1
17 3614 1 1 10 ILE HA H 0.495 4.145 0.107 1.00 . A A . 10 ILE HA 1 1
17 3615 1 1 10 ILE HB H 0.162 2.377 -2.349 1.00 . A A . 10 ILE HB 1 1
17 3616 1 1 10 ILE HD11 H 0.893 4.612 -4.330 1.00 . A A . 10 ILE HD11 1 1
17 3617 1 1 10 ILE HD12 H 1.552 2.978 -4.398 1.00 . A A . 10 ILE HD12 1 1
17 3618 1 1 10 ILE HD13 H 2.640 4.365 -4.312 1.00 . A A . 10 ILE HD13 1 1
17 3619 1 1 10 ILE HG12 H 1.813 4.898 -2.103 1.00 . A A . 10 ILE HG12 1 1
17 3620 1 1 10 ILE HG13 H 2.486 3.273 -2.159 1.00 . A A . 10 ILE HG13 1 1
17 3621 1 1 10 ILE HG21 H -0.858 4.389 -3.324 1.00 . A A . 10 ILE HG21 1 1
17 3622 1 1 10 ILE HG22 H -0.604 5.252 -1.808 1.00 . A A . 10 ILE HG22 1 1
17 3623 1 1 10 ILE HG23 H -1.712 3.879 -1.867 1.00 . A A . 10 ILE HG23 1 1
17 3624 1 1 10 ILE N N 1.646 2.429 -0.002 1.00 . A A . 10 ILE N 1 1
17 3625 1 1 10 ILE O O -0.896 1.228 -0.270 1.00 . A A . 10 ILE O 1 1
17 3626 1 1 11 ALA C C -3.932 2.828 1.187 1.00 . A A . 11 ALA C 1 1
17 3627 1 1 11 ALA CA C -2.616 2.241 1.568 1.00 . A A . 11 ALA CA 1 1
17 3628 1 1 11 ALA CB C -2.526 2.090 3.086 1.00 . A A . 11 ALA CB 1 1
17 3629 1 1 11 ALA H H -1.355 3.892 1.286 1.00 . A A . 11 ALA H 1 1
17 3630 1 1 11 ALA HA H -2.574 1.248 1.143 1.00 . A A . 11 ALA HA 1 1
17 3631 1 1 11 ALA HB1 H -3.331 1.449 3.413 1.00 . A A . 11 ALA HB1 1 1
17 3632 1 1 11 ALA HB2 H -2.633 3.030 3.598 1.00 . A A . 11 ALA HB2 1 1
17 3633 1 1 11 ALA N N -1.508 2.964 1.007 1.00 . A A . 11 ALA N 1 1
17 3634 1 1 11 ALA O O -4.118 4.052 1.190 1.00 . A A . 11 ALA O 1 1
17 3635 1 1 12 PHE C C -7.121 1.560 1.388 1.00 . A A . 12 PHE C 1 1
17 3636 1 1 12 PHE CA C -6.171 2.317 0.491 1.00 . A A . 12 PHE CA 1 1
17 3637 1 1 12 PHE CB C -6.471 1.931 -0.968 1.00 . A A . 12 PHE CB 1 1
17 3638 1 1 12 PHE CD1 C -5.979 3.773 -2.597 1.00 . A A . 12 PHE CD1 1 1
17 3639 1 1 12 PHE CD2 C -4.398 2.002 -2.385 1.00 . A A . 12 PHE CD2 1 1
17 3640 1 1 12 PHE CE1 C -5.186 4.367 -3.554 1.00 . A A . 12 PHE CE1 1 1
17 3641 1 1 12 PHE CE2 C -3.603 2.593 -3.338 1.00 . A A . 12 PHE CE2 1 1
17 3642 1 1 12 PHE CG C -5.596 2.584 -2.000 1.00 . A A . 12 PHE CG 1 1
17 3643 1 1 12 PHE CZ C -3.997 3.776 -3.924 1.00 . A A . 12 PHE CZ 1 1
17 3644 1 1 12 PHE H H -4.568 1.012 0.881 1.00 . A A . 12 PHE H 1 1
17 3645 1 1 12 PHE HA H -6.297 3.382 0.613 1.00 . A A . 12 PHE HA 1 1
17 3646 1 1 12 PHE HB2 H -6.365 0.863 -1.076 1.00 . A A . 12 PHE HB2 1 1
17 3647 1 1 12 PHE HB3 H -7.496 2.193 -1.185 1.00 . A A . 12 PHE HB3 1 1
17 3648 1 1 12 PHE HD1 H -6.911 4.239 -2.309 1.00 . A A . 12 PHE HD1 1 1
17 3649 1 1 12 PHE HD2 H -4.087 1.075 -1.925 1.00 . A A . 12 PHE HD2 1 1
17 3650 1 1 12 PHE HE1 H -5.498 5.294 -4.014 1.00 . A A . 12 PHE HE1 1 1
17 3651 1 1 12 PHE HE2 H -2.672 2.132 -3.629 1.00 . A A . 12 PHE HE2 1 1
17 3652 1 1 12 PHE HZ H -3.372 4.239 -4.674 1.00 . A A . 12 PHE HZ 1 1
17 3653 1 1 12 PHE N N -4.832 1.962 0.859 1.00 . A A . 12 PHE N 1 1
17 3654 1 1 12 PHE O O -6.987 0.330 1.520 1.00 . A A . 12 PHE O 1 1
17 3655 1 1 13 PRO C C -9.911 0.510 2.211 1.00 . A A . 13 PRO C 1 1
17 3656 1 1 13 PRO CA C -9.127 1.659 2.887 1.00 . A A . 13 PRO CA 1 1
17 3657 1 1 13 PRO CB C -10.056 2.831 3.181 1.00 . A A . 13 PRO CB 1 1
17 3658 1 1 13 PRO CD C -8.168 3.742 2.046 1.00 . A A . 13 PRO CD 1 1
17 3659 1 1 13 PRO CG C -9.182 4.024 3.113 1.00 . A A . 13 PRO CG 1 1
17 3660 1 1 13 PRO HA H -8.705 1.294 3.812 1.00 . A A . 13 PRO HA 1 1
17 3661 1 1 13 PRO HB2 H -10.836 2.864 2.434 1.00 . A A . 13 PRO HB2 1 1
17 3662 1 1 13 PRO HB3 H -10.492 2.714 4.162 1.00 . A A . 13 PRO HB3 1 1
17 3663 1 1 13 PRO HD2 H -8.489 4.137 1.095 1.00 . A A . 13 PRO HD2 1 1
17 3664 1 1 13 PRO HD3 H -7.219 4.178 2.321 1.00 . A A . 13 PRO HD3 1 1
17 3665 1 1 13 PRO HG2 H -9.766 4.894 2.851 1.00 . A A . 13 PRO HG2 1 1
17 3666 1 1 13 PRO HG3 H -8.693 4.171 4.065 1.00 . A A . 13 PRO HG3 1 1
17 3667 1 1 13 PRO N N -8.079 2.265 2.029 1.00 . A A . 13 PRO N 1 1
17 3668 1 1 13 PRO O O -10.617 -0.252 2.892 1.00 . A A . 13 PRO O 1 1
17 3669 1 1 14 ASP C C -9.760 -2.036 0.573 1.00 . A A . 14 ASP C 1 1
17 3670 1 1 14 ASP CA C -10.399 -0.728 0.127 1.00 . A A . 14 ASP CA 1 1
17 3671 1 1 14 ASP CB C -10.193 -0.599 -1.402 1.00 . A A . 14 ASP CB 1 1
17 3672 1 1 14 ASP CG C -10.992 0.495 -2.068 1.00 . A A . 14 ASP CG 1 1
17 3673 1 1 14 ASP H H -9.343 1.127 0.408 1.00 . A A . 14 ASP H 1 1
17 3674 1 1 14 ASP HA H -11.457 -0.761 0.343 1.00 . A A . 14 ASP HA 1 1
17 3675 1 1 14 ASP HB2 H -9.149 -0.401 -1.593 1.00 . A A . 14 ASP HB2 1 1
17 3676 1 1 14 ASP HB3 H -10.449 -1.542 -1.862 1.00 . A A . 14 ASP HB3 1 1
17 3677 1 1 14 ASP N N -9.812 0.404 0.878 1.00 . A A . 14 ASP N 1 1
17 3678 1 1 14 ASP O O -10.358 -3.103 0.466 1.00 . A A . 14 ASP O 1 1
17 3679 1 1 14 ASP OD1 O -10.422 1.547 -2.389 1.00 . A A . 14 ASP OD1 1 1
17 3680 1 1 14 ASP OD2 O -12.208 0.310 -2.307 1.00 . A A . 14 ASP OD2 1 1
17 3681 2 2 1 . C C -1.995 -0.823 3.601 1.00 . B A . 101 WMH C 1 1
17 3682 2 2 1 . C1 C -1.253 1.479 3.552 1.00 . B A . 101 WMH C1 1 1
17 3683 2 2 1 . C2 C -0.076 2.121 3.762 1.00 . B A . 101 WMH C2 1 1
17 3684 2 2 1 . H1 H -2.477 -1.014 4.545 1.00 . B A . 101 WMH H1 1 1
17 3685 2 2 1 . H2 H -2.750 -0.429 2.939 1.00 . B A . 101 WMH H2 1 1
17 3686 2 2 1 . H5 H 0.095 3.184 3.670 1.00 . B A . 101 WMH H5 1 1
17 3687 2 2 1 . N N -1.057 0.197 3.757 1.00 . B A . 101 WMH N 1 1
17 3688 2 2 1 . N1 N 0.826 1.209 4.102 1.00 . B A . 101 WMH N1 1 1
17 3689 2 2 1 . N2 N 0.280 0.043 4.113 1.00 . B A . 101 WMH N2 1 1
18 3690 1 1 1 GLY C C -6.888 -3.299 1.889 1.00 . A A . 1 GLY C 1 1
18 3691 1 1 1 GLY CA C -7.994 -2.611 2.620 1.00 . A A . 1 GLY CA 1 1
18 3692 1 1 1 GLY H1 H -8.197 -1.007 1.268 1.00 . A A . 1 GLY H1 1 1
18 3693 1 1 1 GLY HA2 H -7.585 -2.060 3.454 1.00 . A A . 1 GLY HA2 1 1
18 3694 1 1 1 GLY HA3 H -8.687 -3.356 2.983 1.00 . A A . 1 GLY HA3 1 1
18 3695 1 1 1 GLY N N -8.687 -1.711 1.746 1.00 . A A . 1 GLY N 1 1
18 3696 1 1 1 GLY O O -6.900 -4.522 1.723 1.00 . A A . 1 GLY O 1 1
18 3697 1 1 2 ARG C C -3.647 -2.110 0.990 1.00 . A A . 2 ARG C 1 1
18 3698 1 1 2 ARG CA C -4.818 -2.985 0.662 1.00 . A A . 2 ARG CA 1 1
18 3699 1 1 2 ARG CB C -5.057 -2.926 -0.846 1.00 . A A . 2 ARG CB 1 1
18 3700 1 1 2 ARG CD C -6.162 -3.767 -2.905 1.00 . A A . 2 ARG CD 1 1
18 3701 1 1 2 ARG CG C -6.014 -3.954 -1.410 1.00 . A A . 2 ARG CG 1 1
18 3702 1 1 2 ARG CZ C -4.559 -3.132 -4.708 1.00 . A A . 2 ARG CZ 1 1
18 3703 1 1 2 ARG H H -6.019 -1.546 1.570 1.00 . A A . 2 ARG H 1 1
18 3704 1 1 2 ARG HA H -4.615 -4.004 0.952 1.00 . A A . 2 ARG HA 1 1
18 3705 1 1 2 ARG HB2 H -5.460 -1.955 -1.086 1.00 . A A . 2 ARG HB2 1 1
18 3706 1 1 2 ARG HB3 H -4.109 -3.030 -1.351 1.00 . A A . 2 ARG HB3 1 1
18 3707 1 1 2 ARG HD2 H -6.785 -4.556 -3.300 1.00 . A A . 2 ARG HD2 1 1
18 3708 1 1 2 ARG HD3 H -6.627 -2.811 -3.089 1.00 . A A . 2 ARG HD3 1 1
18 3709 1 1 2 ARG HE H -4.175 -4.345 -3.131 1.00 . A A . 2 ARG HE 1 1
18 3710 1 1 2 ARG HG2 H -5.624 -4.942 -1.212 1.00 . A A . 2 ARG HG2 1 1
18 3711 1 1 2 ARG HG3 H -6.980 -3.840 -0.940 1.00 . A A . 2 ARG HG3 1 1
18 3712 1 1 2 ARG HH11 H -6.456 -2.411 -5.021 1.00 . A A . 2 ARG HH11 1 1
18 3713 1 1 2 ARG HH12 H -5.306 -1.924 -6.179 1.00 . A A . 2 ARG HH12 1 1
18 3714 1 1 2 ARG HH21 H -2.578 -3.685 -4.748 1.00 . A A . 2 ARG HH21 1 1
18 3715 1 1 2 ARG HH22 H -3.034 -2.671 -6.023 1.00 . A A . 2 ARG HH22 1 1
18 3716 1 1 2 ARG N N -5.969 -2.512 1.403 1.00 . A A . 2 ARG N 1 1
18 3717 1 1 2 ARG NE N -4.857 -3.799 -3.587 1.00 . A A . 2 ARG NE 1 1
18 3718 1 1 2 ARG NH1 N -5.507 -2.447 -5.347 1.00 . A A . 2 ARG NH1 1 1
18 3719 1 1 2 ARG NH2 N -3.314 -3.167 -5.195 1.00 . A A . 2 ARG NH2 1 1
18 3720 1 1 2 ARG O O -3.816 -0.913 1.159 1.00 . A A . 2 ARG O 1 1
18 3721 1 1 3 ALA C C -0.124 -2.672 0.676 1.00 . A A . 3 ALA C 1 1
18 3722 1 1 3 ALA CA C -1.259 -1.992 1.383 1.00 . A A . 3 ALA CA 1 1
18 3723 1 1 3 ALA CB C -1.023 -1.934 2.901 1.00 . A A . 3 ALA CB 1 1
18 3724 1 1 3 ALA H H -2.428 -3.669 0.977 1.00 . A A . 3 ALA H 1 1
18 3725 1 1 3 ALA HA H -1.349 -0.986 1.000 1.00 . A A . 3 ALA HA 1 1
18 3726 1 1 3 ALA HB2 H 0.039 -1.867 3.084 1.00 . A A . 3 ALA HB2 1 1
18 3727 1 1 3 ALA HB3 H -1.402 -2.841 3.347 1.00 . A A . 3 ALA HB3 1 1
18 3728 1 1 3 ALA N N -2.491 -2.695 1.091 1.00 . A A . 3 ALA N 1 1
18 3729 1 1 3 ALA O O -0.063 -3.902 0.645 1.00 . A A . 3 ALA O 1 1
18 3730 1 1 4 THR C C 3.006 -2.772 0.286 1.00 . A A . 4 THR C 1 1
18 3731 1 1 4 THR CA C 1.839 -2.469 -0.655 1.00 . A A . 4 THR CA 1 1
18 3732 1 1 4 THR CB C 2.304 -1.540 -1.804 1.00 . A A . 4 THR CB 1 1
18 3733 1 1 4 THR CG2 C 1.186 -1.323 -2.817 1.00 . A A . 4 THR CG2 1 1
18 3734 1 1 4 THR H H 0.631 -0.927 0.095 1.00 . A A . 4 THR H 1 1
18 3735 1 1 4 THR HA H 1.498 -3.400 -1.084 1.00 . A A . 4 THR HA 1 1
18 3736 1 1 4 THR HB H 3.141 -2.005 -2.302 1.00 . A A . 4 THR HB 1 1
18 3737 1 1 4 THR HG1 H 3.605 -0.108 -1.657 1.00 . A A . 4 THR HG1 1 1
18 3738 1 1 4 THR HG21 H 0.337 -0.877 -2.322 1.00 . A A . 4 THR HG21 1 1
18 3739 1 1 4 THR HG22 H 0.897 -2.272 -3.244 1.00 . A A . 4 THR HG22 1 1
18 3740 1 1 4 THR HG23 H 1.531 -0.666 -3.602 1.00 . A A . 4 THR HG23 1 1
18 3741 1 1 4 THR N N 0.736 -1.905 0.068 1.00 . A A . 4 THR N 1 1
18 3742 1 1 4 THR O O 3.086 -2.236 1.404 1.00 . A A . 4 THR O 1 1
18 3743 1 1 4 THR OG1 O 2.726 -0.269 -1.283 1.00 . A A . 4 THR OG1 1 1
18 3744 1 1 5 LYS C C 6.273 -3.173 0.127 1.00 . A A . 5 LYS C 1 1
18 3745 1 1 5 LYS CA C 5.066 -3.993 0.616 1.00 . A A . 5 LYS CA 1 1
18 3746 1 1 5 LYS CB C 5.304 -5.518 0.486 1.00 . A A . 5 LYS CB 1 1
18 3747 1 1 5 LYS CD C 6.244 -5.835 2.803 1.00 . A A . 5 LYS CD 1 1
18 3748 1 1 5 LYS CE C 7.412 -6.355 3.621 1.00 . A A . 5 LYS CE 1 1
18 3749 1 1 5 LYS CG C 6.450 -6.084 1.322 1.00 . A A . 5 LYS CG 1 1
18 3750 1 1 5 LYS H H 3.782 -4.033 -1.042 1.00 . A A . 5 LYS H 1 1
18 3751 1 1 5 LYS HA H 4.865 -3.746 1.648 1.00 . A A . 5 LYS HA 1 1
18 3752 1 1 5 LYS HB2 H 4.401 -6.032 0.775 1.00 . A A . 5 LYS HB2 1 1
18 3753 1 1 5 LYS HB3 H 5.505 -5.735 -0.553 1.00 . A A . 5 LYS HB3 1 1
18 3754 1 1 5 LYS HD2 H 6.156 -4.773 2.969 1.00 . A A . 5 LYS HD2 1 1
18 3755 1 1 5 LYS HD3 H 5.339 -6.329 3.123 1.00 . A A . 5 LYS HD3 1 1
18 3756 1 1 5 LYS HE2 H 7.203 -6.184 4.665 1.00 . A A . 5 LYS HE2 1 1
18 3757 1 1 5 LYS HE3 H 7.511 -7.415 3.447 1.00 . A A . 5 LYS HE3 1 1
18 3758 1 1 5 LYS HG2 H 6.523 -7.147 1.152 1.00 . A A . 5 LYS HG2 1 1
18 3759 1 1 5 LYS HG3 H 7.366 -5.607 1.010 1.00 . A A . 5 LYS HG3 1 1
18 3760 1 1 5 LYS HZ1 H 8.984 -5.870 2.302 1.00 . A A . 5 LYS HZ1 1 1
18 3761 1 1 5 LYS HZ2 H 9.459 -6.047 3.885 1.00 . A A . 5 LYS HZ2 1 1
18 3762 1 1 5 LYS HZ3 H 8.637 -4.659 3.420 1.00 . A A . 5 LYS HZ3 1 1
18 3763 1 1 5 LYS N N 3.901 -3.624 -0.157 1.00 . A A . 5 LYS N 1 1
18 3764 1 1 5 LYS NZ N 8.690 -5.687 3.283 1.00 . A A . 5 LYS NZ 1 1
18 3765 1 1 5 LYS O O 7.412 -3.353 0.564 1.00 . A A . 5 LYS O 1 1
18 3766 1 1 6 SER C C 7.257 -0.189 -0.381 1.00 . A A . 6 SER C 1 1
18 3767 1 1 6 SER CA C 7.004 -1.393 -1.295 1.00 . A A . 6 SER CA 1 1
18 3768 1 1 6 SER CB C 6.547 -0.953 -2.681 1.00 . A A . 6 SER CB 1 1
18 3769 1 1 6 SER H H 5.079 -2.093 -1.036 1.00 . A A . 6 SER H 1 1
18 3770 1 1 6 SER HA H 7.913 -1.965 -1.399 1.00 . A A . 6 SER HA 1 1
18 3771 1 1 6 SER HB2 H 7.152 -0.121 -3.010 1.00 . A A . 6 SER HB2 1 1
18 3772 1 1 6 SER HB3 H 6.656 -1.774 -3.374 1.00 . A A . 6 SER HB3 1 1
18 3773 1 1 6 SER HG H 4.922 -0.466 -3.588 1.00 . A A . 6 SER HG 1 1
18 3774 1 1 6 SER N N 6.000 -2.248 -0.743 1.00 . A A . 6 SER N 1 1
18 3775 1 1 6 SER O O 6.596 -0.037 0.660 1.00 . A A . 6 SER O 1 1
18 3776 1 1 6 SER OG O 5.172 -0.546 -2.659 1.00 . A A . 6 SER OG 1 1
18 3777 1 1 7 ILE C C 8.528 2.989 -1.030 1.00 . A A . 7 ILE C 1 1
18 3778 1 1 7 ILE CA C 8.542 1.827 -0.021 1.00 . A A . 7 ILE CA 1 1
18 3779 1 1 7 ILE CB C 9.930 1.749 0.699 1.00 . A A . 7 ILE CB 1 1
18 3780 1 1 7 ILE CD1 C 11.250 0.424 2.471 1.00 . A A . 7 ILE CD1 1 1
18 3781 1 1 7 ILE CG1 C 9.935 0.604 1.734 1.00 . A A . 7 ILE CG1 1 1
18 3782 1 1 7 ILE CG2 C 10.270 3.081 1.374 1.00 . A A . 7 ILE CG2 1 1
18 3783 1 1 7 ILE H H 8.797 0.373 -1.502 1.00 . A A . 7 ILE H 1 1
18 3784 1 1 7 ILE HA H 7.761 1.982 0.710 1.00 . A A . 7 ILE HA 1 1
18 3785 1 1 7 ILE HB H 10.684 1.549 -0.047 1.00 . A A . 7 ILE HB 1 1
18 3786 1 1 7 ILE HD11 H 11.160 -0.388 3.178 1.00 . A A . 7 ILE HD11 1 1
18 3787 1 1 7 ILE HD12 H 11.493 1.335 2.998 1.00 . A A . 7 ILE HD12 1 1
18 3788 1 1 7 ILE HD13 H 12.033 0.198 1.763 1.00 . A A . 7 ILE HD13 1 1
18 3789 1 1 7 ILE HG12 H 9.171 0.796 2.474 1.00 . A A . 7 ILE HG12 1 1
18 3790 1 1 7 ILE HG13 H 9.705 -0.324 1.229 1.00 . A A . 7 ILE HG13 1 1
18 3791 1 1 7 ILE HG21 H 10.299 3.862 0.631 1.00 . A A . 7 ILE HG21 1 1
18 3792 1 1 7 ILE HG22 H 11.235 3.005 1.856 1.00 . A A . 7 ILE HG22 1 1
18 3793 1 1 7 ILE HG23 H 9.517 3.312 2.113 1.00 . A A . 7 ILE HG23 1 1
18 3794 1 1 7 ILE N N 8.236 0.609 -0.730 1.00 . A A . 7 ILE N 1 1
18 3795 1 1 7 ILE O O 9.235 2.931 -2.049 1.00 . A A . 7 ILE O 1 1
18 3796 1 1 8 PRO C C 5.575 3.174 0.165 1.00 . A A . 8 PRO C 1 1
18 3797 1 1 8 PRO CA C 6.769 4.118 0.332 1.00 . A A . 8 PRO CA 1 1
18 3798 1 1 8 PRO CB C 6.273 5.584 0.291 1.00 . A A . 8 PRO CB 1 1
18 3799 1 1 8 PRO CD C 7.580 5.210 -1.666 1.00 . A A . 8 PRO CD 1 1
18 3800 1 1 8 PRO CG C 7.143 6.269 -0.707 1.00 . A A . 8 PRO CG 1 1
18 3801 1 1 8 PRO HA H 7.268 3.926 1.270 1.00 . A A . 8 PRO HA 1 1
18 3802 1 1 8 PRO HB2 H 5.236 5.601 -0.014 1.00 . A A . 8 PRO HB2 1 1
18 3803 1 1 8 PRO HB3 H 6.366 6.028 1.269 1.00 . A A . 8 PRO HB3 1 1
18 3804 1 1 8 PRO HD2 H 6.836 5.061 -2.434 1.00 . A A . 8 PRO HD2 1 1
18 3805 1 1 8 PRO HD3 H 8.534 5.460 -2.103 1.00 . A A . 8 PRO HD3 1 1
18 3806 1 1 8 PRO HG2 H 6.583 7.036 -1.223 1.00 . A A . 8 PRO HG2 1 1
18 3807 1 1 8 PRO HG3 H 7.999 6.700 -0.209 1.00 . A A . 8 PRO HG3 1 1
18 3808 1 1 8 PRO N N 7.692 4.029 -0.811 1.00 . A A . 8 PRO N 1 1
18 3809 1 1 8 PRO O O 5.166 2.878 -0.969 1.00 . A A . 8 PRO O 1 1
18 3810 1 1 9 PRO C C 2.620 2.576 0.846 1.00 . A A . 9 PRO C 1 1
18 3811 1 1 9 PRO CA C 3.878 1.781 1.211 1.00 . A A . 9 PRO CA 1 1
18 3812 1 1 9 PRO CB C 3.785 1.211 2.631 1.00 . A A . 9 PRO CB 1 1
18 3813 1 1 9 PRO CD C 5.528 2.847 2.647 1.00 . A A . 9 PRO CD 1 1
18 3814 1 1 9 PRO CG C 4.458 2.223 3.493 1.00 . A A . 9 PRO CG 1 1
18 3815 1 1 9 PRO HA H 4.018 0.985 0.493 1.00 . A A . 9 PRO HA 1 1
18 3816 1 1 9 PRO HB2 H 2.748 1.084 2.901 1.00 . A A . 9 PRO HB2 1 1
18 3817 1 1 9 PRO HB3 H 4.294 0.260 2.674 1.00 . A A . 9 PRO HB3 1 1
18 3818 1 1 9 PRO HD2 H 5.627 3.898 2.874 1.00 . A A . 9 PRO HD2 1 1
18 3819 1 1 9 PRO HD3 H 6.469 2.339 2.795 1.00 . A A . 9 PRO HD3 1 1
18 3820 1 1 9 PRO HG2 H 3.744 2.972 3.803 1.00 . A A . 9 PRO HG2 1 1
18 3821 1 1 9 PRO HG3 H 4.896 1.745 4.357 1.00 . A A . 9 PRO HG3 1 1
18 3822 1 1 9 PRO N N 5.038 2.649 1.263 1.00 . A A . 9 PRO N 1 1
18 3823 1 1 9 PRO O O 2.338 3.630 1.437 1.00 . A A . 9 PRO O 1 1
18 3824 1 1 10 ILE C C -0.455 1.952 -0.026 1.00 . A A . 10 ILE C 1 1
18 3825 1 1 10 ILE CA C 0.705 2.730 -0.596 1.00 . A A . 10 ILE CA 1 1
18 3826 1 1 10 ILE CB C 0.600 2.711 -2.145 1.00 . A A . 10 ILE CB 1 1
18 3827 1 1 10 ILE CD1 C 1.849 3.288 -4.301 1.00 . A A . 10 ILE CD1 1 1
18 3828 1 1 10 ILE CG1 C 1.847 3.337 -2.784 1.00 . A A . 10 ILE CG1 1 1
18 3829 1 1 10 ILE CG2 C -0.654 3.454 -2.598 1.00 . A A . 10 ILE CG2 1 1
18 3830 1 1 10 ILE H H 2.192 1.267 -0.585 1.00 . A A . 10 ILE H 1 1
18 3831 1 1 10 ILE HA H 0.689 3.750 -0.245 1.00 . A A . 10 ILE HA 1 1
18 3832 1 1 10 ILE HB H 0.519 1.683 -2.465 1.00 . A A . 10 ILE HB 1 1
18 3833 1 1 10 ILE HD11 H 1.782 2.260 -4.624 1.00 . A A . 10 ILE HD11 1 1
18 3834 1 1 10 ILE HD12 H 2.761 3.722 -4.680 1.00 . A A . 10 ILE HD12 1 1
18 3835 1 1 10 ILE HD13 H 1.001 3.840 -4.680 1.00 . A A . 10 ILE HD13 1 1
18 3836 1 1 10 ILE HG12 H 1.913 4.374 -2.491 1.00 . A A . 10 ILE HG12 1 1
18 3837 1 1 10 ILE HG13 H 2.724 2.815 -2.432 1.00 . A A . 10 ILE HG13 1 1
18 3838 1 1 10 ILE HG21 H -0.602 4.480 -2.266 1.00 . A A . 10 ILE HG21 1 1
18 3839 1 1 10 ILE HG22 H -1.527 2.982 -2.172 1.00 . A A . 10 ILE HG22 1 1
18 3840 1 1 10 ILE HG23 H -0.719 3.425 -3.676 1.00 . A A . 10 ILE HG23 1 1
18 3841 1 1 10 ILE N N 1.913 2.100 -0.143 1.00 . A A . 10 ILE N 1 1
18 3842 1 1 10 ILE O O -0.483 0.714 -0.133 1.00 . A A . 10 ILE O 1 1
18 3843 1 1 11 ALA C C -3.784 2.442 0.584 1.00 . A A . 11 ALA C 1 1
18 3844 1 1 11 ALA CA C -2.502 1.954 1.178 1.00 . A A . 11 ALA CA 1 1
18 3845 1 1 11 ALA CB C -2.525 2.008 2.712 1.00 . A A . 11 ALA CB 1 1
18 3846 1 1 11 ALA H H -1.300 3.605 0.685 1.00 . A A . 11 ALA H 1 1
18 3847 1 1 11 ALA HA H -2.400 0.921 0.881 1.00 . A A . 11 ALA HA 1 1
18 3848 1 1 11 ALA HB1 H -3.278 1.323 3.068 1.00 . A A . 11 ALA HB1 1 1
18 3849 1 1 11 ALA HB2 H -2.767 2.982 3.099 1.00 . A A . 11 ALA HB2 1 1
18 3850 1 1 11 ALA N N -1.377 2.630 0.606 1.00 . A A . 11 ALA N 1 1
18 3851 1 1 11 ALA O O -3.952 3.625 0.302 1.00 . A A . 11 ALA O 1 1
18 3852 1 1 12 PHE C C -7.045 1.584 0.721 1.00 . A A . 12 PHE C 1 1
18 3853 1 1 12 PHE CA C -5.908 1.789 -0.268 1.00 . A A . 12 PHE CA 1 1
18 3854 1 1 12 PHE CB C -6.064 0.864 -1.482 1.00 . A A . 12 PHE CB 1 1
18 3855 1 1 12 PHE CD1 C -4.982 1.924 -3.496 1.00 . A A . 12 PHE CD1 1 1
18 3856 1 1 12 PHE CD2 C -3.847 0.113 -2.440 1.00 . A A . 12 PHE CD2 1 1
18 3857 1 1 12 PHE CE1 C -3.958 2.025 -4.420 1.00 . A A . 12 PHE CE1 1 1
18 3858 1 1 12 PHE CE2 C -2.823 0.208 -3.361 1.00 . A A . 12 PHE CE2 1 1
18 3859 1 1 12 PHE CG C -4.941 0.969 -2.495 1.00 . A A . 12 PHE CG 1 1
18 3860 1 1 12 PHE CZ C -2.877 1.166 -4.353 1.00 . A A . 12 PHE CZ 1 1
18 3861 1 1 12 PHE H H -4.461 0.632 0.727 1.00 . A A . 12 PHE H 1 1
18 3862 1 1 12 PHE HA H -5.899 2.814 -0.607 1.00 . A A . 12 PHE HA 1 1
18 3863 1 1 12 PHE HB2 H -6.127 -0.158 -1.143 1.00 . A A . 12 PHE HB2 1 1
18 3864 1 1 12 PHE HB3 H -6.981 1.117 -1.987 1.00 . A A . 12 PHE HB3 1 1
18 3865 1 1 12 PHE HD1 H -5.825 2.598 -3.552 1.00 . A A . 12 PHE HD1 1 1
18 3866 1 1 12 PHE HD2 H -3.797 -0.635 -1.664 1.00 . A A . 12 PHE HD2 1 1
18 3867 1 1 12 PHE HE1 H -4.006 2.778 -5.195 1.00 . A A . 12 PHE HE1 1 1
18 3868 1 1 12 PHE HE2 H -1.979 -0.464 -3.301 1.00 . A A . 12 PHE HE2 1 1
18 3869 1 1 12 PHE HZ H -2.076 1.247 -5.072 1.00 . A A . 12 PHE HZ 1 1
18 3870 1 1 12 PHE N N -4.664 1.534 0.387 1.00 . A A . 12 PHE N 1 1
18 3871 1 1 12 PHE O O -7.063 0.560 1.432 1.00 . A A . 12 PHE O 1 1
18 3872 1 1 13 PRO C C -9.914 1.217 1.793 1.00 . A A . 13 PRO C 1 1
18 3873 1 1 13 PRO CA C -9.144 2.546 1.748 1.00 . A A . 13 PRO CA 1 1
18 3874 1 1 13 PRO CB C -10.046 3.648 1.202 1.00 . A A . 13 PRO CB 1 1
18 3875 1 1 13 PRO CD C -7.993 3.798 -0.012 1.00 . A A . 13 PRO CD 1 1
18 3876 1 1 13 PRO CG C -9.107 4.617 0.581 1.00 . A A . 13 PRO CG 1 1
18 3877 1 1 13 PRO HA H -8.832 2.807 2.749 1.00 . A A . 13 PRO HA 1 1
18 3878 1 1 13 PRO HB2 H -10.728 3.230 0.477 1.00 . A A . 13 PRO HB2 1 1
18 3879 1 1 13 PRO HB3 H -10.598 4.098 2.013 1.00 . A A . 13 PRO HB3 1 1
18 3880 1 1 13 PRO HD2 H -8.195 3.578 -1.050 1.00 . A A . 13 PRO HD2 1 1
18 3881 1 1 13 PRO HD3 H -7.060 4.332 0.089 1.00 . A A . 13 PRO HD3 1 1
18 3882 1 1 13 PRO HG2 H -9.614 5.178 -0.188 1.00 . A A . 13 PRO HG2 1 1
18 3883 1 1 13 PRO HG3 H -8.718 5.285 1.336 1.00 . A A . 13 PRO HG3 1 1
18 3884 1 1 13 PRO N N -7.987 2.562 0.809 1.00 . A A . 13 PRO N 1 1
18 3885 1 1 13 PRO O O -10.482 0.857 2.832 1.00 . A A . 13 PRO O 1 1
18 3886 1 1 14 ASP C C -9.978 -1.792 1.583 1.00 . A A . 14 ASP C 1 1
18 3887 1 1 14 ASP CA C -10.583 -0.816 0.582 1.00 . A A . 14 ASP CA 1 1
18 3888 1 1 14 ASP CB C -10.424 -1.394 -0.828 1.00 . A A . 14 ASP CB 1 1
18 3889 1 1 14 ASP CG C -11.075 -2.757 -0.995 1.00 . A A . 14 ASP CG 1 1
18 3890 1 1 14 ASP H H -9.502 0.888 -0.121 1.00 . A A . 14 ASP H 1 1
18 3891 1 1 14 ASP HA H -11.634 -0.691 0.793 1.00 . A A . 14 ASP HA 1 1
18 3892 1 1 14 ASP HB2 H -10.875 -0.719 -1.540 1.00 . A A . 14 ASP HB2 1 1
18 3893 1 1 14 ASP HB3 H -9.371 -1.488 -1.050 1.00 . A A . 14 ASP HB3 1 1
18 3894 1 1 14 ASP N N -9.929 0.500 0.675 1.00 . A A . 14 ASP N 1 1
18 3895 1 1 14 ASP O O -10.683 -2.577 2.213 1.00 . A A . 14 ASP O 1 1
18 3896 1 1 14 ASP OD1 O -12.240 -2.827 -1.451 1.00 . A A . 14 ASP OD1 1 1
18 3897 1 1 14 ASP OD2 O -10.431 -3.782 -0.719 1.00 . A A . 14 ASP OD2 1 1
18 3898 2 2 1 . C C -1.700 -0.748 3.567 1.00 . B A . 101 WMH C 1 1
18 3899 2 2 1 . C1 C -1.226 1.601 3.332 1.00 . B A . 101 WMH C1 1 1
18 3900 2 2 1 . C2 C -0.159 2.400 3.559 1.00 . B A . 101 WMH C2 1 1
18 3901 2 2 1 . H1 H -2.185 -0.927 4.510 1.00 . B A . 101 WMH H1 1 1
18 3902 2 2 1 . H2 H -2.487 -0.467 2.885 1.00 . B A . 101 WMH H2 1 1
18 3903 2 2 1 . H5 H -0.112 3.461 3.382 1.00 . B A . 101 WMH H5 1 1
18 3904 2 2 1 . N N -0.893 0.378 3.664 1.00 . B A . 101 WMH N 1 1
18 3905 2 2 1 . N1 N 0.824 1.649 4.034 1.00 . B A . 101 WMH N1 1 1
18 3906 2 2 1 . N2 N 0.431 0.426 4.116 1.00 . B A . 101 WMH N2 1 1
19 3907 1 1 1 GLY C C -7.049 -3.341 1.482 1.00 . A A . 1 GLY C 1 1
19 3908 1 1 1 GLY CA C -8.109 -2.743 2.365 1.00 . A A . 1 GLY CA 1 1
19 3909 1 1 1 GLY H1 H -8.307 -0.829 1.504 1.00 . A A . 1 GLY H1 1 1
19 3910 1 1 1 GLY HA2 H -7.649 -2.391 3.276 1.00 . A A . 1 GLY HA2 1 1
19 3911 1 1 1 GLY HA3 H -8.830 -3.508 2.611 1.00 . A A . 1 GLY HA3 1 1
19 3912 1 1 1 GLY N N -8.795 -1.648 1.742 1.00 . A A . 1 GLY N 1 1
19 3913 1 1 1 GLY O O -7.108 -4.527 1.151 1.00 . A A . 1 GLY O 1 1
19 3914 1 1 2 ARG C C -3.758 -2.178 0.573 1.00 . A A . 2 ARG C 1 1
19 3915 1 1 2 ARG CA C -4.993 -2.999 0.268 1.00 . A A . 2 ARG CA 1 1
19 3916 1 1 2 ARG CB C -5.347 -2.904 -1.231 1.00 . A A . 2 ARG CB 1 1
19 3917 1 1 2 ARG CD C -3.994 -4.911 -1.996 1.00 . A A . 2 ARG CD 1 1
19 3918 1 1 2 ARG CG C -4.268 -3.421 -2.190 1.00 . A A . 2 ARG CG 1 1
19 3919 1 1 2 ARG CZ C -5.256 -7.073 -2.093 1.00 . A A . 2 ARG CZ 1 1
19 3920 1 1 2 ARG H H -6.099 -1.595 1.376 1.00 . A A . 2 ARG H 1 1
19 3921 1 1 2 ARG HA H -4.808 -4.031 0.524 1.00 . A A . 2 ARG HA 1 1
19 3922 1 1 2 ARG HB2 H -6.241 -3.482 -1.404 1.00 . A A . 2 ARG HB2 1 1
19 3923 1 1 2 ARG HB3 H -5.549 -1.872 -1.474 1.00 . A A . 2 ARG HB3 1 1
19 3924 1 1 2 ARG HD2 H -3.220 -5.214 -2.686 1.00 . A A . 2 ARG HD2 1 1
19 3925 1 1 2 ARG HD3 H -3.653 -5.073 -0.985 1.00 . A A . 2 ARG HD3 1 1
19 3926 1 1 2 ARG HE H -5.990 -5.238 -2.523 1.00 . A A . 2 ARG HE 1 1
19 3927 1 1 2 ARG HG2 H -4.597 -3.259 -3.206 1.00 . A A . 2 ARG HG2 1 1
19 3928 1 1 2 ARG HG3 H -3.357 -2.869 -2.016 1.00 . A A . 2 ARG HG3 1 1
19 3929 1 1 2 ARG HH11 H -3.295 -7.341 -1.550 1.00 . A A . 2 ARG HH11 1 1
19 3930 1 1 2 ARG HH12 H -4.211 -8.762 -1.609 1.00 . A A . 2 ARG HH12 1 1
19 3931 1 1 2 ARG HH21 H -7.219 -7.218 -2.642 1.00 . A A . 2 ARG HH21 1 1
19 3932 1 1 2 ARG HH22 H -6.489 -8.699 -2.246 1.00 . A A . 2 ARG HH22 1 1
19 3933 1 1 2 ARG N N -6.090 -2.535 1.093 1.00 . A A . 2 ARG N 1 1
19 3934 1 1 2 ARG NE N -5.190 -5.736 -2.236 1.00 . A A . 2 ARG NE 1 1
19 3935 1 1 2 ARG NH1 N -4.186 -7.766 -1.728 1.00 . A A . 2 ARG NH1 1 1
19 3936 1 1 2 ARG NH2 N -6.394 -7.706 -2.343 1.00 . A A . 2 ARG NH2 1 1
19 3937 1 1 2 ARG O O -3.768 -0.971 0.420 1.00 . A A . 2 ARG O 1 1
19 3938 1 1 3 ALA C C -0.346 -2.975 0.742 1.00 . A A . 3 ALA C 1 1
19 3939 1 1 3 ALA CA C -1.475 -2.198 1.357 1.00 . A A . 3 ALA CA 1 1
19 3940 1 1 3 ALA CB C -1.317 -2.088 2.881 1.00 . A A . 3 ALA CB 1 1
19 3941 1 1 3 ALA H H -2.795 -3.798 1.170 1.00 . A A . 3 ALA H 1 1
19 3942 1 1 3 ALA HA H -1.480 -1.205 0.934 1.00 . A A . 3 ALA HA 1 1
19 3943 1 1 3 ALA HB2 H -0.267 -2.146 3.129 1.00 . A A . 3 ALA HB2 1 1
19 3944 1 1 3 ALA HB3 H -1.833 -2.915 3.346 1.00 . A A . 3 ALA HB3 1 1
19 3945 1 1 3 ALA N N -2.735 -2.828 1.032 1.00 . A A . 3 ALA N 1 1
19 3946 1 1 3 ALA O O -0.344 -4.201 0.784 1.00 . A A . 3 ALA O 1 1
19 3947 1 1 4 THR C C 2.916 -2.853 0.440 1.00 . A A . 4 THR C 1 1
19 3948 1 1 4 THR CA C 1.704 -2.901 -0.496 1.00 . A A . 4 THR CA 1 1
19 3949 1 1 4 THR CB C 2.014 -2.191 -1.825 1.00 . A A . 4 THR CB 1 1
19 3950 1 1 4 THR CG2 C 0.930 -2.485 -2.856 1.00 . A A . 4 THR CG2 1 1
19 3951 1 1 4 THR H H 0.489 -1.305 0.055 1.00 . A A . 4 THR H 1 1
19 3952 1 1 4 THR HA H 1.456 -3.930 -0.704 1.00 . A A . 4 THR HA 1 1
19 3953 1 1 4 THR HB H 2.962 -2.546 -2.199 1.00 . A A . 4 THR HB 1 1
19 3954 1 1 4 THR HG1 H 2.064 -0.381 -2.498 1.00 . A A . 4 THR HG1 1 1
19 3955 1 1 4 THR HG21 H -0.021 -2.133 -2.485 1.00 . A A . 4 THR HG21 1 1
19 3956 1 1 4 THR HG22 H 0.876 -3.548 -3.031 1.00 . A A . 4 THR HG22 1 1
19 3957 1 1 4 THR HG23 H 1.164 -1.979 -3.781 1.00 . A A . 4 THR HG23 1 1
19 3958 1 1 4 THR N N 0.566 -2.281 0.125 1.00 . A A . 4 THR N 1 1
19 3959 1 1 4 THR O O 2.893 -2.139 1.447 1.00 . A A . 4 THR O 1 1
19 3960 1 1 4 THR OG1 O 2.089 -0.768 -1.614 1.00 . A A . 4 THR OG1 1 1
19 3961 1 1 5 LYS C C 6.279 -2.797 0.327 1.00 . A A . 5 LYS C 1 1
19 3962 1 1 5 LYS CA C 5.166 -3.613 0.965 1.00 . A A . 5 LYS CA 1 1
19 3963 1 1 5 LYS CB C 5.668 -5.038 1.247 1.00 . A A . 5 LYS CB 1 1
19 3964 1 1 5 LYS CD C 5.354 -7.225 2.481 1.00 . A A . 5 LYS CD 1 1
19 3965 1 1 5 LYS CE C 6.494 -6.993 3.480 1.00 . A A . 5 LYS CE 1 1
19 3966 1 1 5 LYS CG C 4.707 -5.906 2.047 1.00 . A A . 5 LYS CG 1 1
19 3967 1 1 5 LYS H H 3.931 -4.171 -0.670 1.00 . A A . 5 LYS H 1 1
19 3968 1 1 5 LYS HA H 4.904 -3.146 1.904 1.00 . A A . 5 LYS HA 1 1
19 3969 1 1 5 LYS HB2 H 5.858 -5.527 0.303 1.00 . A A . 5 LYS HB2 1 1
19 3970 1 1 5 LYS HB3 H 6.597 -4.961 1.791 1.00 . A A . 5 LYS HB3 1 1
19 3971 1 1 5 LYS HD2 H 4.604 -7.850 2.944 1.00 . A A . 5 LYS HD2 1 1
19 3972 1 1 5 LYS HD3 H 5.748 -7.725 1.608 1.00 . A A . 5 LYS HD3 1 1
19 3973 1 1 5 LYS HE2 H 7.270 -6.413 3.003 1.00 . A A . 5 LYS HE2 1 1
19 3974 1 1 5 LYS HE3 H 6.109 -6.442 4.326 1.00 . A A . 5 LYS HE3 1 1
19 3975 1 1 5 LYS HG2 H 4.392 -5.364 2.925 1.00 . A A . 5 LYS HG2 1 1
19 3976 1 1 5 LYS HG3 H 3.848 -6.123 1.431 1.00 . A A . 5 LYS HG3 1 1
19 3977 1 1 5 LYS HZ1 H 7.824 -8.045 4.672 1.00 . A A . 5 LYS HZ1 1 1
19 3978 1 1 5 LYS HZ2 H 7.562 -8.771 3.188 1.00 . A A . 5 LYS HZ2 1 1
19 3979 1 1 5 LYS HZ3 H 6.389 -8.882 4.397 1.00 . A A . 5 LYS HZ3 1 1
19 3980 1 1 5 LYS N N 3.963 -3.607 0.131 1.00 . A A . 5 LYS N 1 1
19 3981 1 1 5 LYS NZ N 7.094 -8.255 3.961 1.00 . A A . 5 LYS NZ 1 1
19 3982 1 1 5 LYS O O 7.459 -3.009 0.611 1.00 . A A . 5 LYS O 1 1
19 3983 1 1 6 SER C C 7.386 0.061 -0.191 1.00 . A A . 6 SER C 1 1
19 3984 1 1 6 SER CA C 6.861 -1.005 -1.154 1.00 . A A . 6 SER CA 1 1
19 3985 1 1 6 SER CB C 6.194 -0.358 -2.366 1.00 . A A . 6 SER CB 1 1
19 3986 1 1 6 SER H H 4.956 -1.678 -0.657 1.00 . A A . 6 SER H 1 1
19 3987 1 1 6 SER HA H 7.682 -1.618 -1.496 1.00 . A A . 6 SER HA 1 1
19 3988 1 1 6 SER HB2 H 6.856 0.385 -2.786 1.00 . A A . 6 SER HB2 1 1
19 3989 1 1 6 SER HB3 H 5.979 -1.112 -3.108 1.00 . A A . 6 SER HB3 1 1
19 3990 1 1 6 SER HG H 5.186 1.193 -1.714 1.00 . A A . 6 SER HG 1 1
19 3991 1 1 6 SER N N 5.906 -1.849 -0.494 1.00 . A A . 6 SER N 1 1
19 3992 1 1 6 SER O O 6.953 0.141 0.972 1.00 . A A . 6 SER O 1 1
19 3993 1 1 6 SER OG O 4.973 0.288 -1.997 1.00 . A A . 6 SER OG 1 1
19 3994 1 1 7 ILE C C 8.811 3.190 -0.813 1.00 . A A . 7 ILE C 1 1
19 3995 1 1 7 ILE CA C 8.832 1.962 0.098 1.00 . A A . 7 ILE CA 1 1
19 3996 1 1 7 ILE CB C 10.291 1.708 0.598 1.00 . A A . 7 ILE CB 1 1
19 3997 1 1 7 ILE CD1 C 11.751 0.107 1.986 1.00 . A A . 7 ILE CD1 1 1
19 3998 1 1 7 ILE CG1 C 10.357 0.452 1.492 1.00 . A A . 7 ILE CG1 1 1
19 3999 1 1 7 ILE CG2 C 10.812 2.929 1.357 1.00 . A A . 7 ILE CG2 1 1
19 4000 1 1 7 ILE H H 8.675 0.709 -1.562 1.00 . A A . 7 ILE H 1 1
19 4001 1 1 7 ILE HA H 8.178 2.117 0.943 1.00 . A A . 7 ILE HA 1 1
19 4002 1 1 7 ILE HB H 10.921 1.559 -0.269 1.00 . A A . 7 ILE HB 1 1
19 4003 1 1 7 ILE HD11 H 12.134 0.927 2.575 1.00 . A A . 7 ILE HD11 1 1
19 4004 1 1 7 ILE HD12 H 12.399 -0.060 1.138 1.00 . A A . 7 ILE HD12 1 1
19 4005 1 1 7 ILE HD13 H 11.710 -0.785 2.592 1.00 . A A . 7 ILE HD13 1 1
19 4006 1 1 7 ILE HG12 H 9.733 0.607 2.359 1.00 . A A . 7 ILE HG12 1 1
19 4007 1 1 7 ILE HG13 H 9.980 -0.393 0.934 1.00 . A A . 7 ILE HG13 1 1
19 4008 1 1 7 ILE HG21 H 10.811 3.787 0.702 1.00 . A A . 7 ILE HG21 1 1
19 4009 1 1 7 ILE HG22 H 11.816 2.736 1.700 1.00 . A A . 7 ILE HG22 1 1
19 4010 1 1 7 ILE HG23 H 10.170 3.120 2.204 1.00 . A A . 7 ILE HG23 1 1
19 4011 1 1 7 ILE N N 8.315 0.854 -0.660 1.00 . A A . 7 ILE N 1 1
19 4012 1 1 7 ILE O O 9.580 3.247 -1.775 1.00 . A A . 7 ILE O 1 1
19 4013 1 1 8 PRO C C 5.722 3.114 0.076 1.00 . A A . 8 PRO C 1 1
19 4014 1 1 8 PRO CA C 6.860 4.086 0.446 1.00 . A A . 8 PRO CA 1 1
19 4015 1 1 8 PRO CB C 6.328 5.524 0.479 1.00 . A A . 8 PRO CB 1 1
19 4016 1 1 8 PRO CD C 7.789 5.392 -1.394 1.00 . A A . 8 PRO CD 1 1
19 4017 1 1 8 PRO CG C 6.518 6.023 -0.905 1.00 . A A . 8 PRO CG 1 1
19 4018 1 1 8 PRO HA H 7.275 3.826 1.408 1.00 . A A . 8 PRO HA 1 1
19 4019 1 1 8 PRO HB2 H 5.286 5.517 0.759 1.00 . A A . 8 PRO HB2 1 1
19 4020 1 1 8 PRO HB3 H 6.897 6.107 1.188 1.00 . A A . 8 PRO HB3 1 1
19 4021 1 1 8 PRO HD2 H 7.722 5.172 -2.449 1.00 . A A . 8 PRO HD2 1 1
19 4022 1 1 8 PRO HD3 H 8.632 6.036 -1.197 1.00 . A A . 8 PRO HD3 1 1
19 4023 1 1 8 PRO HG2 H 5.685 5.721 -1.522 1.00 . A A . 8 PRO HG2 1 1
19 4024 1 1 8 PRO HG3 H 6.611 7.099 -0.900 1.00 . A A . 8 PRO HG3 1 1
19 4025 1 1 8 PRO N N 7.892 4.146 -0.603 1.00 . A A . 8 PRO N 1 1
19 4026 1 1 8 PRO O O 5.500 2.823 -1.112 1.00 . A A . 8 PRO O 1 1
19 4027 1 1 9 PRO C C 2.673 2.409 0.400 1.00 . A A . 9 PRO C 1 1
19 4028 1 1 9 PRO CA C 3.926 1.650 0.822 1.00 . A A . 9 PRO CA 1 1
19 4029 1 1 9 PRO CB C 3.719 0.962 2.165 1.00 . A A . 9 PRO CB 1 1
19 4030 1 1 9 PRO CD C 5.309 2.717 2.512 1.00 . A A . 9 PRO CD 1 1
19 4031 1 1 9 PRO CG C 4.219 1.931 3.177 1.00 . A A . 9 PRO CG 1 1
19 4032 1 1 9 PRO HA H 4.172 0.919 0.065 1.00 . A A . 9 PRO HA 1 1
19 4033 1 1 9 PRO HB2 H 2.669 0.748 2.300 1.00 . A A . 9 PRO HB2 1 1
19 4034 1 1 9 PRO HB3 H 4.283 0.040 2.186 1.00 . A A . 9 PRO HB3 1 1
19 4035 1 1 9 PRO HD2 H 5.260 3.758 2.795 1.00 . A A . 9 PRO HD2 1 1
19 4036 1 1 9 PRO HD3 H 6.272 2.298 2.763 1.00 . A A . 9 PRO HD3 1 1
19 4037 1 1 9 PRO HG2 H 3.415 2.589 3.474 1.00 . A A . 9 PRO HG2 1 1
19 4038 1 1 9 PRO HG3 H 4.606 1.403 4.035 1.00 . A A . 9 PRO HG3 1 1
19 4039 1 1 9 PRO N N 5.036 2.551 1.068 1.00 . A A . 9 PRO N 1 1
19 4040 1 1 9 PRO O O 2.389 3.511 0.907 1.00 . A A . 9 PRO O 1 1
19 4041 1 1 10 ILE C C -0.435 1.746 -0.380 1.00 . A A . 10 ILE C 1 1
19 4042 1 1 10 ILE CA C 0.735 2.462 -1.011 1.00 . A A . 10 ILE CA 1 1
19 4043 1 1 10 ILE CB C 0.631 2.367 -2.561 1.00 . A A . 10 ILE CB 1 1
19 4044 1 1 10 ILE CD1 C 1.893 2.902 -4.731 1.00 . A A . 10 ILE CD1 1 1
19 4045 1 1 10 ILE CG1 C 1.870 3.001 -3.217 1.00 . A A . 10 ILE CG1 1 1
19 4046 1 1 10 ILE CG2 C -0.648 3.052 -3.057 1.00 . A A . 10 ILE CG2 1 1
19 4047 1 1 10 ILE H H 2.193 0.967 -0.880 1.00 . A A . 10 ILE H 1 1
19 4048 1 1 10 ILE HA H 0.732 3.501 -0.713 1.00 . A A . 10 ILE HA 1 1
19 4049 1 1 10 ILE HB H 0.586 1.323 -2.834 1.00 . A A . 10 ILE HB 1 1
19 4050 1 1 10 ILE HD11 H 1.864 1.863 -5.026 1.00 . A A . 10 ILE HD11 1 1
19 4051 1 1 10 ILE HD12 H 2.796 3.359 -5.107 1.00 . A A . 10 ILE HD12 1 1
19 4052 1 1 10 ILE HD13 H 1.034 3.415 -5.137 1.00 . A A . 10 ILE HD13 1 1
19 4053 1 1 10 ILE HG12 H 1.909 4.049 -2.960 1.00 . A A . 10 ILE HG12 1 1
19 4054 1 1 10 ILE HG13 H 2.755 2.514 -2.836 1.00 . A A . 10 ILE HG13 1 1
19 4055 1 1 10 ILE HG21 H -0.635 4.093 -2.771 1.00 . A A . 10 ILE HG21 1 1
19 4056 1 1 10 ILE HG22 H -1.509 2.570 -2.616 1.00 . A A . 10 ILE HG22 1 1
19 4057 1 1 10 ILE HG23 H -0.705 2.974 -4.132 1.00 . A A . 10 ILE HG23 1 1
19 4058 1 1 10 ILE N N 1.945 1.850 -0.523 1.00 . A A . 10 ILE N 1 1
19 4059 1 1 10 ILE O O -0.510 0.506 -0.436 1.00 . A A . 10 ILE O 1 1
19 4060 1 1 11 ALA C C -3.715 2.430 0.353 1.00 . A A . 11 ALA C 1 1
19 4061 1 1 11 ALA CA C -2.435 1.871 0.891 1.00 . A A . 11 ALA CA 1 1
19 4062 1 1 11 ALA CB C -2.403 1.981 2.422 1.00 . A A . 11 ALA CB 1 1
19 4063 1 1 11 ALA H H -1.209 3.455 0.309 1.00 . A A . 11 ALA H 1 1
19 4064 1 1 11 ALA HA H -2.403 0.820 0.638 1.00 . A A . 11 ALA HA 1 1
19 4065 1 1 11 ALA HB1 H -3.219 1.391 2.810 1.00 . A A . 11 ALA HB1 1 1
19 4066 1 1 11 ALA HB2 H -2.548 2.987 2.773 1.00 . A A . 11 ALA HB2 1 1
19 4067 1 1 11 ALA N N -1.308 2.479 0.262 1.00 . A A . 11 ALA N 1 1
19 4068 1 1 11 ALA O O -3.795 3.606 -0.028 1.00 . A A . 11 ALA O 1 1
19 4069 1 1 12 PHE C C -6.973 1.610 0.942 1.00 . A A . 12 PHE C 1 1
19 4070 1 1 12 PHE CA C -5.996 1.903 -0.182 1.00 . A A . 12 PHE CA 1 1
19 4071 1 1 12 PHE CB C -6.349 1.054 -1.411 1.00 . A A . 12 PHE CB 1 1
19 4072 1 1 12 PHE CD1 C -4.324 0.411 -2.761 1.00 . A A . 12 PHE CD1 1 1
19 4073 1 1 12 PHE CD2 C -5.668 2.223 -3.527 1.00 . A A . 12 PHE CD2 1 1
19 4074 1 1 12 PHE CE1 C -3.484 0.571 -3.841 1.00 . A A . 12 PHE CE1 1 1
19 4075 1 1 12 PHE CE2 C -4.831 2.388 -4.610 1.00 . A A . 12 PHE CE2 1 1
19 4076 1 1 12 PHE CG C -5.428 1.235 -2.589 1.00 . A A . 12 PHE CG 1 1
19 4077 1 1 12 PHE CZ C -3.736 1.562 -4.768 1.00 . A A . 12 PHE CZ 1 1
19 4078 1 1 12 PHE H H -4.496 0.655 0.567 1.00 . A A . 12 PHE H 1 1
19 4079 1 1 12 PHE HA H -6.022 2.950 -0.443 1.00 . A A . 12 PHE HA 1 1
19 4080 1 1 12 PHE HB2 H -6.326 0.012 -1.130 1.00 . A A . 12 PHE HB2 1 1
19 4081 1 1 12 PHE HB3 H -7.351 1.304 -1.727 1.00 . A A . 12 PHE HB3 1 1
19 4082 1 1 12 PHE HD1 H -4.121 -0.362 -2.036 1.00 . A A . 12 PHE HD1 1 1
19 4083 1 1 12 PHE HD2 H -6.523 2.873 -3.407 1.00 . A A . 12 PHE HD2 1 1
19 4084 1 1 12 PHE HE1 H -2.628 -0.077 -3.960 1.00 . A A . 12 PHE HE1 1 1
19 4085 1 1 12 PHE HE2 H -5.030 3.164 -5.334 1.00 . A A . 12 PHE HE2 1 1
19 4086 1 1 12 PHE HZ H -3.083 1.695 -5.619 1.00 . A A . 12 PHE HZ 1 1
19 4087 1 1 12 PHE N N -4.683 1.579 0.283 1.00 . A A . 12 PHE N 1 1
19 4088 1 1 12 PHE O O -6.932 0.504 1.513 1.00 . A A . 12 PHE O 1 1
19 4089 1 1 13 PRO C C -9.758 1.239 2.281 1.00 . A A . 13 PRO C 1 1
19 4090 1 1 13 PRO CA C -8.818 2.440 2.399 1.00 . A A . 13 PRO CA 1 1
19 4091 1 1 13 PRO CB C -9.611 3.753 2.371 1.00 . A A . 13 PRO CB 1 1
19 4092 1 1 13 PRO CD C -8.019 3.863 0.595 1.00 . A A . 13 PRO CD 1 1
19 4093 1 1 13 PRO CG C -9.389 4.308 1.012 1.00 . A A . 13 PRO CG 1 1
19 4094 1 1 13 PRO HA H -8.288 2.363 3.335 1.00 . A A . 13 PRO HA 1 1
19 4095 1 1 13 PRO HB2 H -10.654 3.549 2.553 1.00 . A A . 13 PRO HB2 1 1
19 4096 1 1 13 PRO HB3 H -9.233 4.419 3.133 1.00 . A A . 13 PRO HB3 1 1
19 4097 1 1 13 PRO HD2 H -7.975 3.746 -0.478 1.00 . A A . 13 PRO HD2 1 1
19 4098 1 1 13 PRO HD3 H -7.271 4.566 0.932 1.00 . A A . 13 PRO HD3 1 1
19 4099 1 1 13 PRO HG2 H -10.134 3.915 0.337 1.00 . A A . 13 PRO HG2 1 1
19 4100 1 1 13 PRO HG3 H -9.442 5.386 1.044 1.00 . A A . 13 PRO HG3 1 1
19 4101 1 1 13 PRO N N -7.868 2.567 1.276 1.00 . A A . 13 PRO N 1 1
19 4102 1 1 13 PRO O O -10.336 0.802 3.274 1.00 . A A . 13 PRO O 1 1
19 4103 1 1 14 ASP C C -10.081 -1.723 1.499 1.00 . A A . 14 ASP C 1 1
19 4104 1 1 14 ASP CA C -10.729 -0.500 0.885 1.00 . A A . 14 ASP CA 1 1
19 4105 1 1 14 ASP CB C -11.098 -0.778 -0.579 1.00 . A A . 14 ASP CB 1 1
19 4106 1 1 14 ASP CG C -12.236 0.072 -1.085 1.00 . A A . 14 ASP CG 1 1
19 4107 1 1 14 ASP H H -9.481 1.143 0.311 1.00 . A A . 14 ASP H 1 1
19 4108 1 1 14 ASP HA H -11.637 -0.315 1.438 1.00 . A A . 14 ASP HA 1 1
19 4109 1 1 14 ASP HB2 H -10.237 -0.578 -1.197 1.00 . A A . 14 ASP HB2 1 1
19 4110 1 1 14 ASP HB3 H -11.370 -1.819 -0.678 1.00 . A A . 14 ASP HB3 1 1
19 4111 1 1 14 ASP N N -9.913 0.703 1.072 1.00 . A A . 14 ASP N 1 1
19 4112 1 1 14 ASP O O -10.752 -2.722 1.754 1.00 . A A . 14 ASP O 1 1
19 4113 1 1 14 ASP OD1 O -13.381 -0.107 -0.616 1.00 . A A . 14 ASP OD1 1 1
19 4114 1 1 14 ASP OD2 O -12.021 0.906 -1.988 1.00 . A A . 14 ASP OD2 1 1
19 4115 2 2 1 . C C -1.872 -0.795 3.452 1.00 . B A . 101 WMH C 1 1
19 4116 2 2 1 . C1 C -1.149 1.474 3.055 1.00 . B A . 101 WMH C1 1 1
19 4117 2 2 1 . C2 C -0.003 2.164 3.239 1.00 . B A . 101 WMH C2 1 1
19 4118 2 2 1 . H1 H -2.355 -0.858 4.409 1.00 . B A . 101 WMH H1 1 1
19 4119 2 2 1 . H2 H -2.634 -0.486 2.754 1.00 . B A . 101 WMH H2 1 1
19 4120 2 2 1 . H5 H 0.159 3.202 3.000 1.00 . B A . 101 WMH H5 1 1
19 4121 2 2 1 . N N -0.948 0.244 3.471 1.00 . B A . 101 WMH N 1 1
19 4122 2 2 1 . N1 N 0.894 1.350 3.769 1.00 . B A . 101 WMH N1 1 1
19 4123 2 2 1 . N2 N 0.374 0.183 3.929 1.00 . B A . 101 WMH N2 1 1
20 4124 1 1 1 GLY C C -6.924 -3.359 1.528 1.00 . A A . 1 GLY C 1 1
20 4125 1 1 1 GLY CA C -7.912 -2.798 2.487 1.00 . A A . 1 GLY CA 1 1
20 4126 1 1 1 GLY H1 H -8.204 -0.896 1.633 1.00 . A A . 1 GLY H1 1 1
20 4127 1 1 1 GLY HA2 H -7.408 -2.399 3.353 1.00 . A A . 1 GLY HA2 1 1
20 4128 1 1 1 GLY HA3 H -8.592 -3.579 2.792 1.00 . A A . 1 GLY HA3 1 1
20 4129 1 1 1 GLY N N -8.644 -1.749 1.845 1.00 . A A . 1 GLY N 1 1
20 4130 1 1 1 GLY O O -7.026 -4.511 1.110 1.00 . A A . 1 GLY O 1 1
20 4131 1 1 2 ARG C C -3.762 -2.052 0.406 1.00 . A A . 2 ARG C 1 1
20 4132 1 1 2 ARG CA C -5.017 -2.866 0.144 1.00 . A A . 2 ARG CA 1 1
20 4133 1 1 2 ARG CB C -5.635 -2.555 -1.226 1.00 . A A . 2 ARG CB 1 1
20 4134 1 1 2 ARG CD C -5.554 -2.281 -3.670 1.00 . A A . 2 ARG CD 1 1
20 4135 1 1 2 ARG CG C -4.746 -2.687 -2.446 1.00 . A A . 2 ARG CG 1 1
20 4136 1 1 2 ARG CZ C -5.114 -1.361 -5.932 1.00 . A A . 2 ARG CZ 1 1
20 4137 1 1 2 ARG H H -5.945 -1.644 1.563 1.00 . A A . 2 ARG H 1 1
20 4138 1 1 2 ARG HA H -4.795 -3.919 0.207 1.00 . A A . 2 ARG HA 1 1
20 4139 1 1 2 ARG HB2 H -6.471 -3.220 -1.372 1.00 . A A . 2 ARG HB2 1 1
20 4140 1 1 2 ARG HB3 H -6.019 -1.550 -1.191 1.00 . A A . 2 ARG HB3 1 1
20 4141 1 1 2 ARG HD2 H -6.292 -3.045 -3.861 1.00 . A A . 2 ARG HD2 1 1
20 4142 1 1 2 ARG HD3 H -6.057 -1.349 -3.453 1.00 . A A . 2 ARG HD3 1 1
20 4143 1 1 2 ARG HE H -3.895 -2.600 -4.886 1.00 . A A . 2 ARG HE 1 1
20 4144 1 1 2 ARG HG2 H -3.889 -2.040 -2.339 1.00 . A A . 2 ARG HG2 1 1
20 4145 1 1 2 ARG HG3 H -4.429 -3.713 -2.556 1.00 . A A . 2 ARG HG3 1 1
20 4146 1 1 2 ARG HH11 H -6.898 -0.696 -5.134 1.00 . A A . 2 ARG HH11 1 1
20 4147 1 1 2 ARG HH12 H -6.542 -0.086 -6.683 1.00 . A A . 2 ARG HH12 1 1
20 4148 1 1 2 ARG HH21 H -3.441 -1.768 -7.034 1.00 . A A . 2 ARG HH21 1 1
20 4149 1 1 2 ARG HH22 H -4.561 -0.750 -7.807 1.00 . A A . 2 ARG HH22 1 1
20 4150 1 1 2 ARG N N -5.995 -2.532 1.145 1.00 . A A . 2 ARG N 1 1
20 4151 1 1 2 ARG NE N -4.751 -2.116 -4.875 1.00 . A A . 2 ARG NE 1 1
20 4152 1 1 2 ARG NH1 N -6.270 -0.675 -5.915 1.00 . A A . 2 ARG NH1 1 1
20 4153 1 1 2 ARG NH2 N -4.319 -1.283 -6.992 1.00 . A A . 2 ARG NH2 1 1
20 4154 1 1 2 ARG O O -3.763 -0.840 0.247 1.00 . A A . 2 ARG O 1 1
20 4155 1 1 3 ALA C C -0.324 -2.855 0.623 1.00 . A A . 3 ALA C 1 1
20 4156 1 1 3 ALA CA C -1.475 -2.104 1.233 1.00 . A A . 3 ALA CA 1 1
20 4157 1 1 3 ALA CB C -1.343 -2.039 2.757 1.00 . A A . 3 ALA CB 1 1
20 4158 1 1 3 ALA H H -2.817 -3.688 0.996 1.00 . A A . 3 ALA H 1 1
20 4159 1 1 3 ALA HA H -1.472 -1.096 0.845 1.00 . A A . 3 ALA HA 1 1
20 4160 1 1 3 ALA HB2 H -0.299 -2.121 3.018 1.00 . A A . 3 ALA HB2 1 1
20 4161 1 1 3 ALA HB3 H -1.881 -2.868 3.191 1.00 . A A . 3 ALA HB3 1 1
20 4162 1 1 3 ALA N N -2.741 -2.716 0.876 1.00 . A A . 3 ALA N 1 1
20 4163 1 1 3 ALA O O -0.289 -4.089 0.653 1.00 . A A . 3 ALA O 1 1
20 4164 1 1 4 THR C C 2.918 -2.752 0.374 1.00 . A A . 4 THR C 1 1
20 4165 1 1 4 THR CA C 1.730 -2.733 -0.587 1.00 . A A . 4 THR CA 1 1
20 4166 1 1 4 THR CB C 2.094 -1.951 -1.867 1.00 . A A . 4 THR CB 1 1
20 4167 1 1 4 THR CG2 C 0.939 -1.989 -2.857 1.00 . A A . 4 THR CG2 1 1
20 4168 1 1 4 THR H H 0.512 -1.154 0.039 1.00 . A A . 4 THR H 1 1
20 4169 1 1 4 THR HA H 1.473 -3.745 -0.860 1.00 . A A . 4 THR HA 1 1
20 4170 1 1 4 THR HB H 2.963 -2.403 -2.321 1.00 . A A . 4 THR HB 1 1
20 4171 1 1 4 THR HG1 H 3.270 -0.399 -1.892 1.00 . A A . 4 THR HG1 1 1
20 4172 1 1 4 THR HG21 H 0.059 -1.565 -2.394 1.00 . A A . 4 THR HG21 1 1
20 4173 1 1 4 THR HG22 H 0.739 -3.010 -3.145 1.00 . A A . 4 THR HG22 1 1
20 4174 1 1 4 THR HG23 H 1.196 -1.409 -3.730 1.00 . A A . 4 THR HG23 1 1
20 4175 1 1 4 THR N N 0.591 -2.135 0.050 1.00 . A A . 4 THR N 1 1
20 4176 1 1 4 THR O O 2.961 -1.980 1.329 1.00 . A A . 4 THR O 1 1
20 4177 1 1 4 THR OG1 O 2.386 -0.579 -1.540 1.00 . A A . 4 THR OG1 1 1
20 4178 1 1 5 LYS C C 6.214 -2.941 0.357 1.00 . A A . 5 LYS C 1 1
20 4179 1 1 5 LYS CA C 5.062 -3.724 0.966 1.00 . A A . 5 LYS CA 1 1
20 4180 1 1 5 LYS CB C 5.447 -5.193 1.170 1.00 . A A . 5 LYS CB 1 1
20 4181 1 1 5 LYS CD C 4.828 -5.431 3.594 1.00 . A A . 5 LYS CD 1 1
20 4182 1 1 5 LYS CE C 3.994 -6.173 4.633 1.00 . A A . 5 LYS CE 1 1
20 4183 1 1 5 LYS CG C 4.578 -5.938 2.175 1.00 . A A . 5 LYS CG 1 1
20 4184 1 1 5 LYS H H 3.786 -4.227 -0.637 1.00 . A A . 5 LYS H 1 1
20 4185 1 1 5 LYS HA H 4.826 -3.287 1.925 1.00 . A A . 5 LYS HA 1 1
20 4186 1 1 5 LYS HB2 H 5.366 -5.698 0.219 1.00 . A A . 5 LYS HB2 1 1
20 4187 1 1 5 LYS HB3 H 6.472 -5.239 1.503 1.00 . A A . 5 LYS HB3 1 1
20 4188 1 1 5 LYS HD2 H 5.872 -5.560 3.836 1.00 . A A . 5 LYS HD2 1 1
20 4189 1 1 5 LYS HD3 H 4.580 -4.382 3.636 1.00 . A A . 5 LYS HD3 1 1
20 4190 1 1 5 LYS HE2 H 4.174 -7.233 4.530 1.00 . A A . 5 LYS HE2 1 1
20 4191 1 1 5 LYS HE3 H 4.306 -5.854 5.616 1.00 . A A . 5 LYS HE3 1 1
20 4192 1 1 5 LYS HG2 H 3.540 -5.780 1.923 1.00 . A A . 5 LYS HG2 1 1
20 4193 1 1 5 LYS HG3 H 4.807 -6.992 2.129 1.00 . A A . 5 LYS HG3 1 1
20 4194 1 1 5 LYS HZ1 H 2.191 -6.204 3.545 1.00 . A A . 5 LYS HZ1 1 1
20 4195 1 1 5 LYS HZ2 H 2.326 -4.921 4.644 1.00 . A A . 5 LYS HZ2 1 1
20 4196 1 1 5 LYS HZ3 H 2.022 -6.466 5.199 1.00 . A A . 5 LYS HZ3 1 1
20 4197 1 1 5 LYS N N 3.866 -3.622 0.133 1.00 . A A . 5 LYS N 1 1
20 4198 1 1 5 LYS NZ N 2.544 -5.924 4.483 1.00 . A A . 5 LYS NZ 1 1
20 4199 1 1 5 LYS O O 7.381 -3.180 0.659 1.00 . A A . 5 LYS O 1 1
20 4200 1 1 6 SER C C 7.279 -0.047 -0.144 1.00 . A A . 6 SER C 1 1
20 4201 1 1 6 SER CA C 6.848 -1.154 -1.104 1.00 . A A . 6 SER CA 1 1
20 4202 1 1 6 SER CB C 6.232 -0.567 -2.381 1.00 . A A . 6 SER CB 1 1
20 4203 1 1 6 SER H H 4.931 -1.829 -0.654 1.00 . A A . 6 SER H 1 1
20 4204 1 1 6 SER HA H 7.703 -1.755 -1.374 1.00 . A A . 6 SER HA 1 1
20 4205 1 1 6 SER HB2 H 6.898 0.176 -2.792 1.00 . A A . 6 SER HB2 1 1
20 4206 1 1 6 SER HB3 H 6.082 -1.359 -3.099 1.00 . A A . 6 SER HB3 1 1
20 4207 1 1 6 SER HG H 5.173 0.944 -1.782 1.00 . A A . 6 SER HG 1 1
20 4208 1 1 6 SER N N 5.878 -1.992 -0.471 1.00 . A A . 6 SER N 1 1
20 4209 1 1 6 SER O O 6.677 0.128 0.916 1.00 . A A . 6 SER O 1 1
20 4210 1 1 6 SER OG O 4.967 0.057 -2.113 1.00 . A A . 6 SER OG 1 1
20 4211 1 1 7 ILE C C 8.944 2.988 -0.653 1.00 . A A . 7 ILE C 1 1
20 4212 1 1 7 ILE CA C 8.754 1.803 0.279 1.00 . A A . 7 ILE CA 1 1
20 4213 1 1 7 ILE CB C 10.071 1.522 1.050 1.00 . A A . 7 ILE CB 1 1
20 4214 1 1 7 ILE CD1 C 11.072 0.099 2.907 1.00 . A A . 7 ILE CD1 1 1
20 4215 1 1 7 ILE CG1 C 9.845 0.441 2.111 1.00 . A A . 7 ILE CG1 1 1
20 4216 1 1 7 ILE CG2 C 10.617 2.802 1.689 1.00 . A A . 7 ILE CG2 1 1
20 4217 1 1 7 ILE H H 8.823 0.433 -1.298 1.00 . A A . 7 ILE H 1 1
20 4218 1 1 7 ILE HA H 7.968 2.024 0.984 1.00 . A A . 7 ILE HA 1 1
20 4219 1 1 7 ILE HB H 10.804 1.165 0.341 1.00 . A A . 7 ILE HB 1 1
20 4220 1 1 7 ILE HD11 H 10.831 -0.656 3.640 1.00 . A A . 7 ILE HD11 1 1
20 4221 1 1 7 ILE HD12 H 11.434 0.986 3.405 1.00 . A A . 7 ILE HD12 1 1
20 4222 1 1 7 ILE HD13 H 11.833 -0.278 2.240 1.00 . A A . 7 ILE HD13 1 1
20 4223 1 1 7 ILE HG12 H 9.089 0.778 2.804 1.00 . A A . 7 ILE HG12 1 1
20 4224 1 1 7 ILE HG13 H 9.498 -0.459 1.623 1.00 . A A . 7 ILE HG13 1 1
20 4225 1 1 7 ILE HG21 H 10.835 3.524 0.915 1.00 . A A . 7 ILE HG21 1 1
20 4226 1 1 7 ILE HG22 H 11.519 2.568 2.232 1.00 . A A . 7 ILE HG22 1 1
20 4227 1 1 7 ILE HG23 H 9.882 3.209 2.366 1.00 . A A . 7 ILE HG23 1 1
20 4228 1 1 7 ILE N N 8.312 0.668 -0.493 1.00 . A A . 7 ILE N 1 1
20 4229 1 1 7 ILE O O 9.839 2.960 -1.507 1.00 . A A . 7 ILE O 1 1
20 4230 1 1 8 PRO C C 5.812 3.118 -0.016 1.00 . A A . 8 PRO C 1 1
20 4231 1 1 8 PRO CA C 6.966 4.061 0.396 1.00 . A A . 8 PRO CA 1 1
20 4232 1 1 8 PRO CB C 6.505 5.522 0.339 1.00 . A A . 8 PRO CB 1 1
20 4233 1 1 8 PRO CD C 8.168 5.256 -1.351 1.00 . A A . 8 PRO CD 1 1
20 4234 1 1 8 PRO CG C 6.901 5.988 -1.008 1.00 . A A . 8 PRO CG 1 1
20 4235 1 1 8 PRO HA H 7.289 3.821 1.398 1.00 . A A . 8 PRO HA 1 1
20 4236 1 1 8 PRO HB2 H 5.435 5.568 0.476 1.00 . A A . 8 PRO HB2 1 1
20 4237 1 1 8 PRO HB3 H 6.998 6.090 1.115 1.00 . A A . 8 PRO HB3 1 1
20 4238 1 1 8 PRO HD2 H 8.198 5.027 -2.406 1.00 . A A . 8 PRO HD2 1 1
20 4239 1 1 8 PRO HD3 H 9.031 5.841 -1.067 1.00 . A A . 8 PRO HD3 1 1
20 4240 1 1 8 PRO HG2 H 6.123 5.752 -1.719 1.00 . A A . 8 PRO HG2 1 1
20 4241 1 1 8 PRO HG3 H 7.074 7.054 -0.987 1.00 . A A . 8 PRO HG3 1 1
20 4242 1 1 8 PRO N N 8.090 4.022 -0.553 1.00 . A A . 8 PRO N 1 1
20 4243 1 1 8 PRO O O 5.659 2.765 -1.213 1.00 . A A . 8 PRO O 1 1
20 4244 1 1 9 PRO C C 2.682 2.569 0.269 1.00 . A A . 9 PRO C 1 1
20 4245 1 1 9 PRO CA C 3.915 1.771 0.699 1.00 . A A . 9 PRO CA 1 1
20 4246 1 1 9 PRO CB C 3.690 1.084 2.039 1.00 . A A . 9 PRO CB 1 1
20 4247 1 1 9 PRO CD C 5.262 2.847 2.407 1.00 . A A . 9 PRO CD 1 1
20 4248 1 1 9 PRO CG C 4.159 2.066 3.055 1.00 . A A . 9 PRO CG 1 1
20 4249 1 1 9 PRO HA H 4.143 1.036 -0.058 1.00 . A A . 9 PRO HA 1 1
20 4250 1 1 9 PRO HB2 H 2.641 0.858 2.159 1.00 . A A . 9 PRO HB2 1 1
20 4251 1 1 9 PRO HB3 H 4.266 0.171 2.081 1.00 . A A . 9 PRO HB3 1 1
20 4252 1 1 9 PRO HD2 H 5.187 3.895 2.656 1.00 . A A . 9 PRO HD2 1 1
20 4253 1 1 9 PRO HD3 H 6.220 2.452 2.712 1.00 . A A . 9 PRO HD3 1 1
20 4254 1 1 9 PRO HG2 H 3.346 2.722 3.330 1.00 . A A . 9 PRO HG2 1 1
20 4255 1 1 9 PRO HG3 H 4.528 1.546 3.925 1.00 . A A . 9 PRO HG3 1 1
20 4256 1 1 9 PRO N N 5.051 2.631 0.956 1.00 . A A . 9 PRO N 1 1
20 4257 1 1 9 PRO O O 2.503 3.732 0.654 1.00 . A A . 9 PRO O 1 1
20 4258 1 1 10 ILE C C -0.497 1.861 -0.389 1.00 . A A . 10 ILE C 1 1
20 4259 1 1 10 ILE CA C 0.669 2.580 -1.035 1.00 . A A . 10 ILE CA 1 1
20 4260 1 1 10 ILE CB C 0.570 2.436 -2.580 1.00 . A A . 10 ILE CB 1 1
20 4261 1 1 10 ILE CD1 C 1.903 2.718 -4.758 1.00 . A A . 10 ILE CD1 1 1
20 4262 1 1 10 ILE CG1 C 1.869 2.917 -3.252 1.00 . A A . 10 ILE CG1 1 1
20 4263 1 1 10 ILE CG2 C -0.615 3.238 -3.104 1.00 . A A . 10 ILE CG2 1 1
20 4264 1 1 10 ILE H H 2.033 1.031 -0.813 1.00 . A A . 10 ILE H 1 1
20 4265 1 1 10 ILE HA H 0.666 3.624 -0.762 1.00 . A A . 10 ILE HA 1 1
20 4266 1 1 10 ILE HB H 0.413 1.394 -2.818 1.00 . A A . 10 ILE HB 1 1
20 4267 1 1 10 ILE HD11 H 2.847 3.075 -5.145 1.00 . A A . 10 ILE HD11 1 1
20 4268 1 1 10 ILE HD12 H 1.095 3.271 -5.212 1.00 . A A . 10 ILE HD12 1 1
20 4269 1 1 10 ILE HD13 H 1.795 1.668 -4.985 1.00 . A A . 10 ILE HD13 1 1
20 4270 1 1 10 ILE HG12 H 1.987 3.972 -3.062 1.00 . A A . 10 ILE HG12 1 1
20 4271 1 1 10 ILE HG13 H 2.705 2.385 -2.823 1.00 . A A . 10 ILE HG13 1 1
20 4272 1 1 10 ILE HG21 H -0.668 3.142 -4.179 1.00 . A A . 10 ILE HG21 1 1
20 4273 1 1 10 ILE HG22 H -0.493 4.277 -2.839 1.00 . A A . 10 ILE HG22 1 1
20 4274 1 1 10 ILE HG23 H -1.526 2.859 -2.665 1.00 . A A . 10 ILE HG23 1 1
20 4275 1 1 10 ILE N N 1.865 1.961 -0.539 1.00 . A A . 10 ILE N 1 1
20 4276 1 1 10 ILE O O -0.545 0.617 -0.414 1.00 . A A . 10 ILE O 1 1
20 4277 1 1 11 ALA C C -3.805 2.574 0.461 1.00 . A A . 11 ALA C 1 1
20 4278 1 1 11 ALA CA C -2.510 1.987 0.904 1.00 . A A . 11 ALA CA 1 1
20 4279 1 1 11 ALA CB C -2.400 2.050 2.428 1.00 . A A . 11 ALA CB 1 1
20 4280 1 1 11 ALA H H -1.344 3.581 0.207 1.00 . A A . 11 ALA H 1 1
20 4281 1 1 11 ALA HA H -2.509 0.945 0.617 1.00 . A A . 11 ALA HA 1 1
20 4282 1 1 11 ALA HB1 H -3.209 1.474 2.850 1.00 . A A . 11 ALA HB1 1 1
20 4283 1 1 11 ALA HB2 H -2.492 3.054 2.804 1.00 . A A . 11 ALA HB2 1 1
20 4284 1 1 11 ALA N N -1.399 2.602 0.226 1.00 . A A . 11 ALA N 1 1
20 4285 1 1 11 ALA O O -3.915 3.768 0.212 1.00 . A A . 11 ALA O 1 1
20 4286 1 1 12 PHE C C -7.057 1.660 0.984 1.00 . A A . 12 PHE C 1 1
20 4287 1 1 12 PHE CA C -6.073 2.070 -0.104 1.00 . A A . 12 PHE CA 1 1
20 4288 1 1 12 PHE CB C -6.393 1.332 -1.412 1.00 . A A . 12 PHE CB 1 1
20 4289 1 1 12 PHE CD1 C -5.652 2.477 -3.526 1.00 . A A . 12 PHE CD1 1 1
20 4290 1 1 12 PHE CD2 C -4.218 0.830 -2.593 1.00 . A A . 12 PHE CD2 1 1
20 4291 1 1 12 PHE CE1 C -4.754 2.674 -4.552 1.00 . A A . 12 PHE CE1 1 1
20 4292 1 1 12 PHE CE2 C -3.317 1.023 -3.614 1.00 . A A . 12 PHE CE2 1 1
20 4293 1 1 12 PHE CG C -5.399 1.554 -2.534 1.00 . A A . 12 PHE CG 1 1
20 4294 1 1 12 PHE CZ C -3.588 1.947 -4.596 1.00 . A A . 12 PHE CZ 1 1
20 4295 1 1 12 PHE H H -4.570 0.792 0.575 1.00 . A A . 12 PHE H 1 1
20 4296 1 1 12 PHE HA H -6.111 3.136 -0.267 1.00 . A A . 12 PHE HA 1 1
20 4297 1 1 12 PHE HB2 H -6.450 0.275 -1.216 1.00 . A A . 12 PHE HB2 1 1
20 4298 1 1 12 PHE HB3 H -7.357 1.667 -1.759 1.00 . A A . 12 PHE HB3 1 1
20 4299 1 1 12 PHE HD1 H -6.567 3.051 -3.499 1.00 . A A . 12 PHE HD1 1 1
20 4300 1 1 12 PHE HD2 H -4.004 0.105 -1.821 1.00 . A A . 12 PHE HD2 1 1
20 4301 1 1 12 PHE HE1 H -4.965 3.399 -5.325 1.00 . A A . 12 PHE HE1 1 1
20 4302 1 1 12 PHE HE2 H -2.403 0.450 -3.645 1.00 . A A . 12 PHE HE2 1 1
20 4303 1 1 12 PHE HZ H -2.882 2.103 -5.401 1.00 . A A . 12 PHE HZ 1 1
20 4304 1 1 12 PHE N N -4.761 1.728 0.344 1.00 . A A . 12 PHE N 1 1
20 4305 1 1 12 PHE O O -6.957 0.527 1.496 1.00 . A A . 12 PHE O 1 1
20 4306 1 1 13 PRO C C -9.797 1.038 2.313 1.00 . A A . 13 PRO C 1 1
20 4307 1 1 13 PRO CA C -8.973 2.326 2.473 1.00 . A A . 13 PRO CA 1 1
20 4308 1 1 13 PRO CB C -9.885 3.563 2.425 1.00 . A A . 13 PRO CB 1 1
20 4309 1 1 13 PRO CD C -8.183 3.897 0.792 1.00 . A A . 13 PRO CD 1 1
20 4310 1 1 13 PRO CG C -9.617 4.194 1.102 1.00 . A A . 13 PRO CG 1 1
20 4311 1 1 13 PRO HA H -8.468 2.291 3.428 1.00 . A A . 13 PRO HA 1 1
20 4312 1 1 13 PRO HB2 H -10.917 3.258 2.520 1.00 . A A . 13 PRO HB2 1 1
20 4313 1 1 13 PRO HB3 H -9.630 4.230 3.236 1.00 . A A . 13 PRO HB3 1 1
20 4314 1 1 13 PRO HD2 H -8.026 3.883 -0.277 1.00 . A A . 13 PRO HD2 1 1
20 4315 1 1 13 PRO HD3 H -7.538 4.620 1.268 1.00 . A A . 13 PRO HD3 1 1
20 4316 1 1 13 PRO HG2 H -10.262 3.761 0.352 1.00 . A A . 13 PRO HG2 1 1
20 4317 1 1 13 PRO HG3 H -9.776 5.261 1.161 1.00 . A A . 13 PRO HG3 1 1
20 4318 1 1 13 PRO N N -7.995 2.563 1.376 1.00 . A A . 13 PRO N 1 1
20 4319 1 1 13 PRO O O -10.333 0.513 3.286 1.00 . A A . 13 PRO O 1 1
20 4320 1 1 14 ASP C C -9.901 -1.907 1.538 1.00 . A A . 14 ASP C 1 1
20 4321 1 1 14 ASP CA C -10.569 -0.742 0.800 1.00 . A A . 14 ASP CA 1 1
20 4322 1 1 14 ASP CB C -10.572 -1.016 -0.714 1.00 . A A . 14 ASP CB 1 1
20 4323 1 1 14 ASP CG C -11.070 -2.409 -1.087 1.00 . A A . 14 ASP CG 1 1
20 4324 1 1 14 ASP H H -9.491 1.048 0.349 1.00 . A A . 14 ASP H 1 1
20 4325 1 1 14 ASP HA H -11.590 -0.654 1.140 1.00 . A A . 14 ASP HA 1 1
20 4326 1 1 14 ASP HB2 H -11.208 -0.291 -1.200 1.00 . A A . 14 ASP HB2 1 1
20 4327 1 1 14 ASP HB3 H -9.564 -0.902 -1.087 1.00 . A A . 14 ASP HB3 1 1
20 4328 1 1 14 ASP N N -9.884 0.533 1.086 1.00 . A A . 14 ASP N 1 1
20 4329 1 1 14 ASP O O -10.536 -2.908 1.857 1.00 . A A . 14 ASP O 1 1
20 4330 1 1 14 ASP OD1 O -12.293 -2.672 -1.013 1.00 . A A . 14 ASP OD1 1 1
20 4331 1 1 14 ASP OD2 O -10.252 -3.251 -1.496 1.00 . A A . 14 ASP OD2 1 1
20 4332 2 2 1 . C C -1.881 -0.756 3.350 1.00 . B A . 101 WMH C 1 1
20 4333 2 2 1 . C1 C -1.130 1.500 2.971 1.00 . B A . 101 WMH C1 1 1
20 4334 2 2 1 . C2 C 0.040 2.158 3.098 1.00 . B A . 101 WMH C2 1 1
20 4335 2 2 1 . H1 H -2.330 -0.830 4.323 1.00 . B A . 101 WMH H1 1 1
20 4336 2 2 1 . H2 H -2.659 -0.428 2.678 1.00 . B A . 101 WMH H2 1 1
20 4337 2 2 1 . H5 H 0.218 3.193 2.851 1.00 . B A . 101 WMH H5 1 1
20 4338 2 2 1 . N N -0.942 0.263 3.359 1.00 . B A . 101 WMH N 1 1
20 4339 2 2 1 . N1 N 0.933 1.306 3.577 1.00 . B A . 101 WMH N1 1 1
20 4340 2 2 1 . N2 N 0.393 0.160 3.749 1.00 . B A . 101 WMH N2 1 1
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