NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
393489 |
1qpu   |
4759 | cing | 4-filtered-FRED | STAR | entry | full | 40 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1qpu
# This FRED archive file contains, for PDB entry <1qpu>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1qpu
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1qpu
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 12391.55
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 $CYTOCHROME_B562 A . 1 1
2 . 2 $PROTOPORPHYRIN_IX_CONTAINING_FE 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 HEM 1 HEM 1 1
stop_
save_
save_CYTOCHROME_B562
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "CYTOCHROME B562"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code ADLEDNMETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYHQKYR
_Entity.Number_of_monomers 106
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 ALA . 1 1
2 ASP . 1 1
3 LEU . 1 1
4 GLU . 1 1
5 ASP . 1 1
6 ASN . 1 1
7 MET . 1 1
8 GLU . 1 1
9 THR . 1 1
10 LEU . 1 1
11 ASN . 1 1
12 ASP . 1 1
13 ASN . 1 1
14 LEU . 1 1
15 LYS . 1 1
16 VAL . 1 1
17 ILE . 1 1
18 GLU . 1 1
19 LYS . 1 1
20 ALA . 1 1
21 ASP . 1 1
22 ASN . 1 1
23 ALA . 1 1
24 ALA . 1 1
25 GLN . 1 1
26 VAL . 1 1
27 LYS . 1 1
28 ASP . 1 1
29 ALA . 1 1
30 LEU . 1 1
31 THR . 1 1
32 LYS . 1 1
33 MET . 1 1
34 ARG . 1 1
35 ALA . 1 1
36 ALA . 1 1
37 ALA . 1 1
38 LEU . 1 1
39 ASP . 1 1
40 ALA . 1 1
41 GLN . 1 1
42 LYS . 1 1
43 ALA . 1 1
44 THR . 1 1
45 PRO . 1 1
46 PRO . 1 1
47 LYS . 1 1
48 LEU . 1 1
49 GLU . 1 1
50 ASP . 1 1
51 LYS . 1 1
52 SER . 1 1
53 PRO . 1 1
54 ASP . 1 1
55 SER . 1 1
56 PRO . 1 1
57 GLU . 1 1
58 MET . 1 1
59 LYS . 1 1
60 ASP . 1 1
61 PHE . 1 1
62 ARG . 1 1
63 HIS . 1 1
64 GLY . 1 1
65 PHE . 1 1
66 ASP . 1 1
67 ILE . 1 1
68 LEU . 1 1
69 VAL . 1 1
70 GLY . 1 1
71 GLN . 1 1
72 ILE . 1 1
73 ASP . 1 1
74 ASP . 1 1
75 ALA . 1 1
76 LEU . 1 1
77 LYS . 1 1
78 LEU . 1 1
79 ALA . 1 1
80 ASN . 1 1
81 GLU . 1 1
82 GLY . 1 1
83 LYS . 1 1
84 VAL . 1 1
85 LYS . 1 1
86 GLU . 1 1
87 ALA . 1 1
88 GLN . 1 1
89 ALA . 1 1
90 ALA . 1 1
91 ALA . 1 1
92 GLU . 1 1
93 GLN . 1 1
94 LEU . 1 1
95 LYS . 1 1
96 THR . 1 1
97 THR . 1 1
98 ARG . 1 1
99 ASN . 1 1
100 ALA . 1 1
101 TYR . 1 1
102 HIS . 1 1
103 GLN . 1 1
104 LYS . 1 1
105 TYR . 1 1
106 ARG . 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
ALA 1 1 1 1
ASP 2 2 1 1
LEU 3 3 1 1
GLU 4 4 1 1
ASP 5 5 1 1
ASN 6 6 1 1
MET 7 7 1 1
GLU 8 8 1 1
THR 9 9 1 1
LEU 10 10 1 1
ASN 11 11 1 1
ASP 12 12 1 1
ASN 13 13 1 1
LEU 14 14 1 1
LYS 15 15 1 1
VAL 16 16 1 1
ILE 17 17 1 1
GLU 18 18 1 1
LYS 19 19 1 1
ALA 20 20 1 1
ASP 21 21 1 1
ASN 22 22 1 1
ALA 23 23 1 1
ALA 24 24 1 1
GLN 25 25 1 1
VAL 26 26 1 1
LYS 27 27 1 1
ASP 28 28 1 1
ALA 29 29 1 1
LEU 30 30 1 1
THR 31 31 1 1
LYS 32 32 1 1
MET 33 33 1 1
ARG 34 34 1 1
ALA 35 35 1 1
ALA 36 36 1 1
ALA 37 37 1 1
LEU 38 38 1 1
ASP 39 39 1 1
ALA 40 40 1 1
GLN 41 41 1 1
LYS 42 42 1 1
ALA 43 43 1 1
THR 44 44 1 1
PRO 45 45 1 1
PRO 46 46 1 1
LYS 47 47 1 1
LEU 48 48 1 1
GLU 49 49 1 1
ASP 50 50 1 1
LYS 51 51 1 1
SER 52 52 1 1
PRO 53 53 1 1
ASP 54 54 1 1
SER 55 55 1 1
PRO 56 56 1 1
GLU 57 57 1 1
MET 58 58 1 1
LYS 59 59 1 1
ASP 60 60 1 1
PHE 61 61 1 1
ARG 62 62 1 1
HIS 63 63 1 1
GLY 64 64 1 1
PHE 65 65 1 1
ASP 66 66 1 1
ILE 67 67 1 1
LEU 68 68 1 1
VAL 69 69 1 1
GLY 70 70 1 1
GLN 71 71 1 1
ILE 72 72 1 1
ASP 73 73 1 1
ASP 74 74 1 1
ALA 75 75 1 1
LEU 76 76 1 1
LYS 77 77 1 1
LEU 78 78 1 1
ALA 79 79 1 1
ASN 80 80 1 1
GLU 81 81 1 1
GLY 82 82 1 1
LYS 83 83 1 1
VAL 84 84 1 1
LYS 85 85 1 1
GLU 86 86 1 1
ALA 87 87 1 1
GLN 88 88 1 1
ALA 89 89 1 1
ALA 90 90 1 1
ALA 91 91 1 1
GLU 92 92 1 1
GLN 93 93 1 1
LEU 94 94 1 1
LYS 95 95 1 1
THR 96 96 1 1
THR 97 97 1 1
ARG 98 98 1 1
ASN 99 99 1 1
ALA 100 100 1 1
TYR 101 101 1 1
HIS 102 102 1 1
GLN 103 103 1 1
LYS 104 104 1 1
TYR 105 105 1 1
ARG 106 106 1 1
stop_
save_
save_PROTOPORPHYRIN_IX_CONTAINING_FE
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "PROTOPORPHYRIN IX CONTAINING FE"
_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 HEM $HEM 1 2
stop_
save_
save_HEM
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID HEM
_Chem_comp.Type non-polymer
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
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 7 MET H . 7 MET HN 1 1
1 1 2 1 1 7 MET HG2 . 7 MET HG2 1 1
2 1 1 1 1 6 ASN H . 6 ASN HN 1 1
2 1 2 1 1 7 MET HG2 . 7 MET HG2 1 1
3 1 1 1 1 3 LEU HG . 3 LEU HG 1 1
3 1 2 1 1 7 MET HG2 . 7 MET HG2 1 1
4 1 1 1 1 7 MET HG2 . 7 MET HG2 1 1
4 1 2 1 1 40 ALA MB . 40 ALA QB 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 . . . . . . . 5.0 1 1
2 1 . . . . . . . 5.0 1 1
3 1 . . . . . . . 5.0 1 1
4 1 . . . . . . . 5.0 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_10_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
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
21 1 . . . 1 2
22 1 . . . 1 2
23 1 . . . 1 2
24 1 . . . 1 2
25 1 . . . 1 2
26 1 . . . 1 2
27 1 . . . 1 2
28 1 . . . 1 2
29 1 . . . 1 2
30 1 . . . 1 2
31 1 . . . 1 2
32 1 . . . 1 2
33 1 . . . 1 2
34 1 . . . 1 2
35 1 . . . 1 2
36 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 8 GLU O . 8 GLU- O 1 2
1 1 2 1 1 12 ASP N . 12 ASP- N 1 2
2 1 1 1 1 8 GLU O . 8 GLU- O 1 2
2 1 2 1 1 12 ASP H . 12 ASP- HN 1 2
3 1 1 1 1 9 THR O . 9 THR O 1 2
3 1 2 1 1 13 ASN N . 13 ASN N 1 2
4 1 1 1 1 9 THR O . 9 THR O 1 2
4 1 2 1 1 13 ASN H . 13 ASN HN 1 2
5 1 1 1 1 11 ASN O . 11 ASN O 1 2
5 1 2 1 1 15 LYS N . 15 LYS+ N 1 2
6 1 1 1 1 11 ASN O . 11 ASN O 1 2
6 1 2 1 1 15 LYS H . 15 LYS+ HN 1 2
7 1 1 1 1 12 ASP O . 12 ASP- O 1 2
7 1 2 1 1 16 VAL N . 16 VAL N 1 2
8 1 1 1 1 12 ASP O . 12 ASP- O 1 2
8 1 2 1 1 16 VAL H . 16 VAL HN 1 2
9 1 1 1 1 16 VAL O . 16 VAL O 1 2
9 1 2 1 1 20 ALA N . 20 ALA N 1 2
10 1 1 1 1 16 VAL O . 16 VAL O 1 2
10 1 2 1 1 20 ALA H . 20 ALA HN 1 2
11 1 1 1 1 22 ASN O . 22 ASN O 1 2
11 1 2 1 1 26 VAL N . 26 VAL N 1 2
12 1 1 1 1 22 ASN O . 22 ASN O 1 2
12 1 2 1 1 26 VAL H . 26 VAL HN 1 2
13 1 1 1 1 23 ALA O . 23 ALA O 1 2
13 1 2 1 1 27 LYS N . 27 LYS+ N 1 2
14 1 1 1 1 23 ALA O . 23 ALA O 1 2
14 1 2 1 1 27 LYS H . 27 LYS+ HN 1 2
15 1 1 1 1 25 GLN O . 25 GLN O 1 2
15 1 2 1 1 29 ALA N . 29 ALA N 1 2
16 1 1 1 1 25 GLN O . 25 GLN O 1 2
16 1 2 1 1 29 ALA H . 29 ALA HN 1 2
17 1 1 1 1 26 VAL O . 26 VAL O 1 2
17 1 2 1 1 30 LEU N . 30 LEU N 1 2
18 1 1 1 1 26 VAL O . 26 VAL O 1 2
18 1 2 1 1 30 LEU H . 30 LEU HN 1 2
19 1 1 1 1 27 LYS O . 27 LYS+ O 1 2
19 1 2 1 1 31 THR N . 31 THR N 1 2
20 1 1 1 1 27 LYS O . 27 LYS+ O 1 2
20 1 2 1 1 31 THR H . 31 THR HN 1 2
21 1 1 1 1 32 LYS O . 32 LYS+ O 1 2
21 1 2 1 1 36 ALA N . 36 ALA N 1 2
22 1 1 1 1 32 LYS O . 32 LYS+ O 1 2
22 1 2 1 1 36 ALA H . 36 ALA HN 1 2
23 1 1 1 1 33 MET O . 33 MET O 1 2
23 1 2 1 1 37 ALA N . 37 ALA N 1 2
24 1 1 1 1 33 MET O . 33 MET O 1 2
24 1 2 1 1 37 ALA H . 37 ALA HN 1 2
25 1 1 1 1 36 ALA O . 36 ALA O 1 2
25 1 2 1 1 40 ALA N . 40 ALA N 1 2
26 1 1 1 1 36 ALA O . 36 ALA O 1 2
26 1 2 1 1 40 ALA H . 40 ALA HN 1 2
27 1 1 1 1 39 ASP O . 39 ASP- O 1 2
27 1 2 1 1 42 LYS N . 42 LYS+ N 1 2
28 1 1 1 1 39 ASP O . 39 ASP- O 1 2
28 1 2 1 1 42 LYS H . 42 LYS+ HN 1 2
29 1 1 1 1 68 LEU O . 68 LEU O 1 2
29 1 2 1 1 72 ILE N . 72 ILE N 1 2
30 1 1 1 1 68 LEU O . 68 LEU O 1 2
30 1 2 1 1 72 ILE H . 72 ILE HN 1 2
31 1 1 1 1 86 GLU O . 86 GLU- O 1 2
31 1 2 1 1 89 ALA N . 89 ALA N 1 2
32 1 1 1 1 86 GLU O . 86 GLU- O 1 2
32 1 2 1 1 89 ALA H . 89 ALA HN 1 2
33 1 1 1 1 91 ALA O . 91 ALA O 1 2
33 1 2 1 1 94 LEU N . 94 LEU N 1 2
34 1 1 1 1 91 ALA O . 91 ALA O 1 2
34 1 2 1 1 94 LEU H . 94 LEU HN 1 2
35 1 1 1 1 92 GLU O . 92 GLU- O 1 2
35 1 2 1 1 95 LYS N . 95 LYS+ N 1 2
36 1 1 1 1 92 GLU O . 92 GLU- O 1 2
36 1 2 1 1 95 LYS H . 95 LYS+ HN 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 . . . . . . . 2.7 1 2
2 1 . . . . . . . 1.8 1 2
3 1 . . . . . . . 2.7 1 2
4 1 . . . . . . . 1.8 1 2
5 1 . . . . . . . 2.7 1 2
6 1 . . . . . . . 1.8 1 2
7 1 . . . . . . . 2.7 1 2
8 1 . . . . . . . 1.8 1 2
9 1 . . . . . . . 2.7 1 2
10 1 . . . . . . . 1.8 1 2
11 1 . . . . . . . 2.7 1 2
12 1 . . . . . . . 1.8 1 2
13 1 . . . . . . . 2.7 1 2
14 1 . . . . . . . 1.8 1 2
15 1 . . . . . . . 2.7 1 2
16 1 . . . . . . . 1.8 1 2
17 1 . . . . . . . 2.7 1 2
18 1 . . . . . . . 1.8 1 2
19 1 . . . . . . . 2.7 1 2
20 1 . . . . . . . 1.8 1 2
21 1 . . . . . . . 2.7 1 2
22 1 . . . . . . . 1.8 1 2
23 1 . . . . . . . 2.7 1 2
24 1 . . . . . . . 1.8 1 2
25 1 . . . . . . . 2.7 1 2
26 1 . . . . . . . 1.8 1 2
27 1 . . . . . . . 2.7 1 2
28 1 . . . . . . . 1.8 1 2
29 1 . . . . . . . 2.7 1 2
30 1 . . . . . . . 1.8 1 2
31 1 . . . . . . . 2.7 1 2
32 1 . . . . . . . 1.8 1 2
33 1 . . . . . . . 2.7 1 2
34 1 . . . . . . . 1.8 1 2
35 1 . . . . . . . 2.7 1 2
36 1 . . . . . . . 1.8 1 2
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 ALA C C 10.366 -1.198 13.530 1.00 . A A . 1 ALA C 1 1
1 2 1 1 1 ALA CA C 10.594 -0.209 12.410 1.00 . A A . 1 ALA CA 1 1
1 3 1 1 1 ALA CB C 10.479 -0.942 11.071 1.00 . A A . 1 ALA CB 1 1
1 4 1 1 1 ALA H1 H 12.200 0.284 13.542 1.00 . A A . 1 ALA H1 1 1
1 5 1 1 1 ALA H2 H 12.592 -0.242 12.050 1.00 . A A . 1 ALA H2 1 1
1 6 1 1 1 ALA H3 H 11.981 1.292 12.226 1.00 . A A . 1 ALA H3 1 1
1 7 1 1 1 ALA HA H 9.856 0.592 12.480 1.00 . A A . 1 ALA HA 1 1
1 8 1 1 1 ALA HB1 H 9.637 -1.632 11.091 1.00 . A A . 1 ALA HB1 1 1
1 9 1 1 1 ALA HB2 H 10.341 -0.228 10.272 1.00 . A A . 1 ALA HB2 1 1
1 10 1 1 1 ALA HB3 H 11.390 -1.504 10.865 1.00 . A A . 1 ALA HB3 1 1
1 11 1 1 1 ALA N N 11.948 0.341 12.563 1.00 . A A . 1 ALA N 1 1
1 12 1 1 1 ALA O O 11.361 -1.707 14.044 1.00 . A A . 1 ALA O 1 1
1 13 1 1 2 ASP C C 8.708 -3.689 13.204 1.00 . A A . 2 ASP C 1 1
1 14 1 1 2 ASP CA C 8.875 -2.818 14.442 1.00 . A A . 2 ASP CA 1 1
1 15 1 1 2 ASP CB C 7.697 -2.795 15.436 1.00 . A A . 2 ASP CB 1 1
1 16 1 1 2 ASP CG C 8.203 -3.025 16.863 1.00 . A A . 2 ASP CG 1 1
1 17 1 1 2 ASP H H 8.278 -1.096 13.466 1.00 . A A . 2 ASP H 1 1
1 18 1 1 2 ASP HA H 9.760 -3.173 14.972 1.00 . A A . 2 ASP HA 1 1
1 19 1 1 2 ASP HB2 H 7.195 -1.827 15.399 1.00 . A A . 2 ASP HB2 1 1
1 20 1 1 2 ASP HB3 H 6.965 -3.567 15.195 1.00 . A A . 2 ASP HB3 1 1
1 21 1 1 2 ASP N N 9.113 -1.508 13.876 1.00 . A A . 2 ASP N 1 1
1 22 1 1 2 ASP O O 9.706 -4.114 12.626 1.00 . A A . 2 ASP O 1 1
1 23 1 1 2 ASP OD1 O 9.237 -2.414 17.212 1.00 . A A . 2 ASP OD1 1 1
1 24 1 1 2 ASP OD2 O 7.568 -3.824 17.582 1.00 . A A . 2 ASP OD2 1 1
1 25 1 1 3 LEU C C 5.546 -4.509 11.494 1.00 . A A . 3 LEU C 1 1
1 26 1 1 3 LEU CA C 7.071 -4.464 11.474 1.00 . A A . 3 LEU CA 1 1
1 27 1 1 3 LEU CB C 7.656 -5.886 11.328 1.00 . A A . 3 LEU CB 1 1
1 28 1 1 3 LEU CD1 C 9.119 -7.123 9.669 1.00 . A A . 3 LEU CD1 1 1
1 29 1 1 3 LEU CD2 C 6.768 -6.830 9.191 1.00 . A A . 3 LEU CD2 1 1
1 30 1 1 3 LEU CG C 7.953 -6.151 9.853 1.00 . A A . 3 LEU CG 1 1
1 31 1 1 3 LEU H H 6.760 -3.246 13.095 1.00 . A A . 3 LEU H 1 1
1 32 1 1 3 LEU HA H 7.398 -3.811 10.666 1.00 . A A . 3 LEU HA 1 1
1 33 1 1 3 LEU HB2 H 8.586 -5.993 11.876 1.00 . A A . 3 LEU HB2 1 1
1 34 1 1 3 LEU HB3 H 6.968 -6.630 11.732 1.00 . A A . 3 LEU HB3 1 1
1 35 1 1 3 LEU HD11 H 8.893 -8.068 10.162 1.00 . A A . 3 LEU HD11 1 1
1 36 1 1 3 LEU HD12 H 9.293 -7.291 8.606 1.00 . A A . 3 LEU HD12 1 1
1 37 1 1 3 LEU HD13 H 10.022 -6.723 10.117 1.00 . A A . 3 LEU HD13 1 1
1 38 1 1 3 LEU HD21 H 5.905 -6.182 9.224 1.00 . A A . 3 LEU HD21 1 1
1 39 1 1 3 LEU HD22 H 6.986 -7.148 8.171 1.00 . A A . 3 LEU HD22 1 1
1 40 1 1 3 LEU HD23 H 6.583 -7.716 9.775 1.00 . A A . 3 LEU HD23 1 1
1 41 1 1 3 LEU HG H 8.165 -5.190 9.390 1.00 . A A . 3 LEU HG 1 1
1 42 1 1 3 LEU N N 7.476 -3.843 12.720 1.00 . A A . 3 LEU N 1 1
1 43 1 1 3 LEU O O 4.882 -4.185 10.514 1.00 . A A . 3 LEU O 1 1
1 44 1 1 4 GLU C C 2.823 -3.770 12.680 1.00 . A A . 4 GLU C 1 1
1 45 1 1 4 GLU CA C 3.618 -5.028 13.013 1.00 . A A . 4 GLU CA 1 1
1 46 1 1 4 GLU CB C 3.537 -5.309 14.527 1.00 . A A . 4 GLU CB 1 1
1 47 1 1 4 GLU CD C 3.569 -7.147 16.313 1.00 . A A . 4 GLU CD 1 1
1 48 1 1 4 GLU CG C 3.442 -6.812 14.820 1.00 . A A . 4 GLU CG 1 1
1 49 1 1 4 GLU H H 5.692 -5.016 13.416 1.00 . A A . 4 GLU H 1 1
1 50 1 1 4 GLU HA H 3.193 -5.869 12.461 1.00 . A A . 4 GLU HA 1 1
1 51 1 1 4 GLU HB2 H 4.424 -4.892 15.010 1.00 . A A . 4 GLU HB2 1 1
1 52 1 1 4 GLU HB3 H 2.662 -4.815 14.953 1.00 . A A . 4 GLU HB3 1 1
1 53 1 1 4 GLU HG2 H 2.475 -7.166 14.458 1.00 . A A . 4 GLU HG2 1 1
1 54 1 1 4 GLU HG3 H 4.230 -7.330 14.272 1.00 . A A . 4 GLU HG3 1 1
1 55 1 1 4 GLU N N 5.026 -4.857 12.672 1.00 . A A . 4 GLU N 1 1
1 56 1 1 4 GLU O O 1.747 -3.827 12.093 1.00 . A A . 4 GLU O 1 1
1 57 1 1 4 GLU OE1 O 3.922 -6.237 17.094 1.00 . A A . 4 GLU OE1 1 1
1 58 1 1 4 GLU OE2 O 3.324 -8.323 16.664 1.00 . A A . 4 GLU OE2 1 1
1 59 1 1 5 ASP C C 2.877 -0.837 11.514 1.00 . A A . 5 ASP C 1 1
1 60 1 1 5 ASP CA C 2.763 -1.318 12.945 1.00 . A A . 5 ASP CA 1 1
1 61 1 1 5 ASP CB C 3.438 -0.331 13.912 1.00 . A A . 5 ASP CB 1 1
1 62 1 1 5 ASP CG C 4.970 -0.188 13.782 1.00 . A A . 5 ASP CG 1 1
1 63 1 1 5 ASP H H 4.370 -2.582 13.220 1.00 . A A . 5 ASP H 1 1
1 64 1 1 5 ASP HA H 1.713 -1.403 13.219 1.00 . A A . 5 ASP HA 1 1
1 65 1 1 5 ASP HB2 H 2.981 0.649 13.758 1.00 . A A . 5 ASP HB2 1 1
1 66 1 1 5 ASP HB3 H 3.198 -0.639 14.931 1.00 . A A . 5 ASP HB3 1 1
1 67 1 1 5 ASP N N 3.381 -2.620 13.042 1.00 . A A . 5 ASP N 1 1
1 68 1 1 5 ASP O O 2.025 -0.101 11.018 1.00 . A A . 5 ASP O 1 1
1 69 1 1 5 ASP OD1 O 5.642 -1.136 13.291 1.00 . A A . 5 ASP OD1 1 1
1 70 1 1 5 ASP OD2 O 5.465 0.871 14.224 1.00 . A A . 5 ASP OD2 1 1
1 71 1 1 6 ASN C C 3.111 -1.611 8.528 1.00 . A A . 6 ASN C 1 1
1 72 1 1 6 ASN CA C 4.060 -0.854 9.441 1.00 . A A . 6 ASN CA 1 1
1 73 1 1 6 ASN CB C 5.508 -1.007 8.988 1.00 . A A . 6 ASN CB 1 1
1 74 1 1 6 ASN CG C 6.385 -0.048 9.768 1.00 . A A . 6 ASN CG 1 1
1 75 1 1 6 ASN H H 4.589 -1.897 11.239 1.00 . A A . 6 ASN H 1 1
1 76 1 1 6 ASN HA H 3.801 0.194 9.452 1.00 . A A . 6 ASN HA 1 1
1 77 1 1 6 ASN HB2 H 5.839 -2.037 9.121 1.00 . A A . 6 ASN HB2 1 1
1 78 1 1 6 ASN HB3 H 5.567 -0.740 7.937 1.00 . A A . 6 ASN HB3 1 1
1 79 1 1 6 ASN HD21 H 8.110 -1.132 9.470 1.00 . A A . 6 ASN HD21 1 1
1 80 1 1 6 ASN HD22 H 8.178 0.353 10.435 1.00 . A A . 6 ASN HD22 1 1
1 81 1 1 6 ASN N N 3.903 -1.296 10.803 1.00 . A A . 6 ASN N 1 1
1 82 1 1 6 ASN ND2 N 7.662 -0.351 9.914 1.00 . A A . 6 ASN ND2 1 1
1 83 1 1 6 ASN O O 2.611 -1.082 7.538 1.00 . A A . 6 ASN O 1 1
1 84 1 1 6 ASN OD1 O 5.921 0.987 10.226 1.00 . A A . 6 ASN OD1 1 1
1 85 1 1 7 MET C C 0.540 -3.367 8.380 1.00 . A A . 7 MET C 1 1
1 86 1 1 7 MET CA C 1.988 -3.750 8.144 1.00 . A A . 7 MET CA 1 1
1 87 1 1 7 MET CB C 2.282 -5.169 8.634 1.00 . A A . 7 MET CB 1 1
1 88 1 1 7 MET CE C 4.897 -5.355 5.406 1.00 . A A . 7 MET CE 1 1
1 89 1 1 7 MET CG C 3.509 -5.724 7.905 1.00 . A A . 7 MET CG 1 1
1 90 1 1 7 MET H H 3.228 -3.207 9.755 1.00 . A A . 7 MET H 1 1
1 91 1 1 7 MET HA H 2.182 -3.648 7.077 1.00 . A A . 7 MET HA 1 1
1 92 1 1 7 MET HB2 H 2.455 -5.173 9.712 1.00 . A A . 7 MET HB2 1 1
1 93 1 1 7 MET HB3 H 1.413 -5.780 8.456 1.00 . A A . 7 MET HB3 1 1
1 94 1 1 7 MET HE1 H 5.164 -4.376 5.804 1.00 . A A . 7 MET HE1 1 1
1 95 1 1 7 MET HE2 H 5.661 -6.086 5.662 1.00 . A A . 7 MET HE2 1 1
1 96 1 1 7 MET HE3 H 4.798 -5.274 4.324 1.00 . A A . 7 MET HE3 1 1
1 97 1 1 7 MET HG2 H 4.324 -5.028 8.095 1.00 . A A . 7 MET HG2 1 1
1 98 1 1 7 MET HG3 H 3.791 -6.690 8.319 1.00 . A A . 7 MET HG3 1 1
1 99 1 1 7 MET N N 2.846 -2.862 8.884 1.00 . A A . 7 MET N 1 1
1 100 1 1 7 MET O O -0.237 -3.240 7.430 1.00 . A A . 7 MET O 1 1
1 101 1 1 7 MET SD S 3.301 -5.824 6.104 1.00 . A A . 7 MET SD 1 1
1 102 1 1 8 GLU C C -1.405 -1.347 9.282 1.00 . A A . 8 GLU C 1 1
1 103 1 1 8 GLU CA C -1.171 -2.701 9.925 1.00 . A A . 8 GLU CA 1 1
1 104 1 1 8 GLU CB C -1.472 -2.672 11.426 1.00 . A A . 8 GLU CB 1 1
1 105 1 1 8 GLU CD C -1.288 -1.352 13.619 1.00 . A A . 8 GLU CD 1 1
1 106 1 1 8 GLU CG C -0.997 -1.389 12.120 1.00 . A A . 8 GLU CG 1 1
1 107 1 1 8 GLU H H 0.824 -3.283 10.409 1.00 . A A . 8 GLU H 1 1
1 108 1 1 8 GLU HA H -1.852 -3.417 9.465 1.00 . A A . 8 GLU HA 1 1
1 109 1 1 8 GLU HB2 H -2.548 -2.747 11.540 1.00 . A A . 8 GLU HB2 1 1
1 110 1 1 8 GLU HB3 H -1.020 -3.546 11.888 1.00 . A A . 8 GLU HB3 1 1
1 111 1 1 8 GLU HG2 H 0.069 -1.291 11.951 1.00 . A A . 8 GLU HG2 1 1
1 112 1 1 8 GLU HG3 H -1.496 -0.525 11.680 1.00 . A A . 8 GLU HG3 1 1
1 113 1 1 8 GLU N N 0.177 -3.141 9.642 1.00 . A A . 8 GLU N 1 1
1 114 1 1 8 GLU O O -2.484 -1.130 8.755 1.00 . A A . 8 GLU O 1 1
1 115 1 1 8 GLU OE1 O -1.993 -2.264 14.105 1.00 . A A . 8 GLU OE1 1 1
1 116 1 1 8 GLU OE2 O -0.838 -0.369 14.248 1.00 . A A . 8 GLU OE2 1 1
1 117 1 1 9 THR C C -0.795 0.731 7.169 1.00 . A A . 9 THR C 1 1
1 118 1 1 9 THR CA C -0.605 0.864 8.676 1.00 . A A . 9 THR CA 1 1
1 119 1 1 9 THR CB C 0.553 1.796 9.054 1.00 . A A . 9 THR CB 1 1
1 120 1 1 9 THR CG2 C 0.512 3.119 8.291 1.00 . A A . 9 THR CG2 1 1
1 121 1 1 9 THR H H 0.457 -0.659 9.740 1.00 . A A . 9 THR H 1 1
1 122 1 1 9 THR HA H -1.524 1.289 9.082 1.00 . A A . 9 THR HA 1 1
1 123 1 1 9 THR HB H 1.508 1.305 8.866 1.00 . A A . 9 THR HB 1 1
1 124 1 1 9 THR HG1 H 0.781 1.390 10.937 1.00 . A A . 9 THR HG1 1 1
1 125 1 1 9 THR HG21 H -0.467 3.579 8.423 1.00 . A A . 9 THR HG21 1 1
1 126 1 1 9 THR HG22 H 1.283 3.781 8.686 1.00 . A A . 9 THR HG22 1 1
1 127 1 1 9 THR HG23 H 0.719 2.946 7.237 1.00 . A A . 9 THR HG23 1 1
1 128 1 1 9 THR N N -0.414 -0.449 9.268 1.00 . A A . 9 THR N 1 1
1 129 1 1 9 THR O O -1.695 1.359 6.617 1.00 . A A . 9 THR O 1 1
1 130 1 1 9 THR OG1 O 0.436 2.129 10.417 1.00 . A A . 9 THR OG1 1 1
1 131 1 1 10 LEU C C -1.708 -0.800 4.827 1.00 . A A . 10 LEU C 1 1
1 132 1 1 10 LEU CA C -0.263 -0.361 5.058 1.00 . A A . 10 LEU CA 1 1
1 133 1 1 10 LEU CB C 0.725 -1.406 4.510 1.00 . A A . 10 LEU CB 1 1
1 134 1 1 10 LEU CD1 C 3.171 -0.902 4.093 1.00 . A A . 10 LEU CD1 1 1
1 135 1 1 10 LEU CD2 C 1.733 -1.517 2.211 1.00 . A A . 10 LEU CD2 1 1
1 136 1 1 10 LEU CG C 1.755 -0.791 3.547 1.00 . A A . 10 LEU CG 1 1
1 137 1 1 10 LEU H H 0.708 -0.632 6.954 1.00 . A A . 10 LEU H 1 1
1 138 1 1 10 LEU HA H -0.138 0.567 4.515 1.00 . A A . 10 LEU HA 1 1
1 139 1 1 10 LEU HB2 H 1.235 -1.913 5.330 1.00 . A A . 10 LEU HB2 1 1
1 140 1 1 10 LEU HB3 H 0.168 -2.171 3.973 1.00 . A A . 10 LEU HB3 1 1
1 141 1 1 10 LEU HD11 H 3.435 -1.950 4.232 1.00 . A A . 10 LEU HD11 1 1
1 142 1 1 10 LEU HD12 H 3.859 -0.445 3.386 1.00 . A A . 10 LEU HD12 1 1
1 143 1 1 10 LEU HD13 H 3.234 -0.378 5.043 1.00 . A A . 10 LEU HD13 1 1
1 144 1 1 10 LEU HD21 H 0.735 -1.463 1.776 1.00 . A A . 10 LEU HD21 1 1
1 145 1 1 10 LEU HD22 H 2.444 -1.045 1.533 1.00 . A A . 10 LEU HD22 1 1
1 146 1 1 10 LEU HD23 H 2.009 -2.561 2.366 1.00 . A A . 10 LEU HD23 1 1
1 147 1 1 10 LEU HG H 1.537 0.259 3.363 1.00 . A A . 10 LEU HG 1 1
1 148 1 1 10 LEU N N -0.021 -0.113 6.479 1.00 . A A . 10 LEU N 1 1
1 149 1 1 10 LEU O O -2.299 -0.490 3.793 1.00 . A A . 10 LEU O 1 1
1 150 1 1 11 ASN C C -4.657 -0.904 5.928 1.00 . A A . 11 ASN C 1 1
1 151 1 1 11 ASN CA C -3.645 -2.008 5.672 1.00 . A A . 11 ASN CA 1 1
1 152 1 1 11 ASN CB C -3.866 -3.146 6.673 1.00 . A A . 11 ASN CB 1 1
1 153 1 1 11 ASN CG C -4.951 -4.086 6.176 1.00 . A A . 11 ASN CG 1 1
1 154 1 1 11 ASN H H -1.728 -1.716 6.622 1.00 . A A . 11 ASN H 1 1
1 155 1 1 11 ASN HA H -3.790 -2.374 4.655 1.00 . A A . 11 ASN HA 1 1
1 156 1 1 11 ASN HB2 H -2.942 -3.702 6.799 1.00 . A A . 11 ASN HB2 1 1
1 157 1 1 11 ASN HB3 H -4.141 -2.738 7.645 1.00 . A A . 11 ASN HB3 1 1
1 158 1 1 11 ASN HD21 H -5.861 -4.177 7.992 1.00 . A A . 11 ASN HD21 1 1
1 159 1 1 11 ASN HD22 H -6.648 -5.036 6.684 1.00 . A A . 11 ASN HD22 1 1
1 160 1 1 11 ASN N N -2.286 -1.503 5.799 1.00 . A A . 11 ASN N 1 1
1 161 1 1 11 ASN ND2 N -5.875 -4.495 7.034 1.00 . A A . 11 ASN ND2 1 1
1 162 1 1 11 ASN O O -5.647 -0.778 5.213 1.00 . A A . 11 ASN O 1 1
1 163 1 1 11 ASN OD1 O -4.944 -4.492 5.019 1.00 . A A . 11 ASN OD1 1 1
1 164 1 1 12 ASP C C -5.499 1.941 6.304 1.00 . A A . 12 ASP C 1 1
1 165 1 1 12 ASP CA C -5.298 0.938 7.420 1.00 . A A . 12 ASP CA 1 1
1 166 1 1 12 ASP CB C -4.732 1.631 8.660 1.00 . A A . 12 ASP CB 1 1
1 167 1 1 12 ASP CG C -5.801 2.515 9.310 1.00 . A A . 12 ASP CG 1 1
1 168 1 1 12 ASP H H -3.548 -0.271 7.473 1.00 . A A . 12 ASP H 1 1
1 169 1 1 12 ASP HA H -6.258 0.492 7.677 1.00 . A A . 12 ASP HA 1 1
1 170 1 1 12 ASP HB2 H -4.405 0.877 9.372 1.00 . A A . 12 ASP HB2 1 1
1 171 1 1 12 ASP HB3 H -3.861 2.230 8.384 1.00 . A A . 12 ASP HB3 1 1
1 172 1 1 12 ASP N N -4.400 -0.104 6.958 1.00 . A A . 12 ASP N 1 1
1 173 1 1 12 ASP O O -6.628 2.280 5.978 1.00 . A A . 12 ASP O 1 1
1 174 1 1 12 ASP OD1 O -6.880 1.969 9.658 1.00 . A A . 12 ASP OD1 1 1
1 175 1 1 12 ASP OD2 O -5.532 3.728 9.452 1.00 . A A . 12 ASP OD2 1 1
1 176 1 1 13 ASN C C -5.263 2.670 3.373 1.00 . A A . 13 ASN C 1 1
1 177 1 1 13 ASN CA C -4.426 3.241 4.510 1.00 . A A . 13 ASN CA 1 1
1 178 1 1 13 ASN CB C -3.014 3.550 4.044 1.00 . A A . 13 ASN CB 1 1
1 179 1 1 13 ASN CG C -2.286 4.320 5.129 1.00 . A A . 13 ASN CG 1 1
1 180 1 1 13 ASN H H -3.524 1.980 6.012 1.00 . A A . 13 ASN H 1 1
1 181 1 1 13 ASN HA H -4.848 4.191 4.814 1.00 . A A . 13 ASN HA 1 1
1 182 1 1 13 ASN HB2 H -2.508 2.616 3.820 1.00 . A A . 13 ASN HB2 1 1
1 183 1 1 13 ASN HB3 H -3.052 4.165 3.144 1.00 . A A . 13 ASN HB3 1 1
1 184 1 1 13 ASN HD21 H -0.974 2.819 5.388 1.00 . A A . 13 ASN HD21 1 1
1 185 1 1 13 ASN HD22 H -0.770 4.213 6.412 1.00 . A A . 13 ASN HD22 1 1
1 186 1 1 13 ASN N N -4.403 2.334 5.653 1.00 . A A . 13 ASN N 1 1
1 187 1 1 13 ASN ND2 N -1.175 3.785 5.600 1.00 . A A . 13 ASN ND2 1 1
1 188 1 1 13 ASN O O -6.037 3.400 2.754 1.00 . A A . 13 ASN O 1 1
1 189 1 1 13 ASN OD1 O -2.746 5.355 5.594 1.00 . A A . 13 ASN OD1 1 1
1 190 1 1 14 LEU C C -7.485 0.837 2.579 1.00 . A A . 14 LEU C 1 1
1 191 1 1 14 LEU CA C -6.033 0.726 2.138 1.00 . A A . 14 LEU CA 1 1
1 192 1 1 14 LEU CB C -5.674 -0.758 1.930 1.00 . A A . 14 LEU CB 1 1
1 193 1 1 14 LEU CD1 C -4.043 -0.741 0.083 1.00 . A A . 14 LEU CD1 1 1
1 194 1 1 14 LEU CD2 C -5.792 -2.498 0.068 1.00 . A A . 14 LEU CD2 1 1
1 195 1 1 14 LEU CG C -5.491 -1.047 0.434 1.00 . A A . 14 LEU CG 1 1
1 196 1 1 14 LEU H H -4.569 0.777 3.692 1.00 . A A . 14 LEU H 1 1
1 197 1 1 14 LEU HA H -5.921 1.271 1.200 1.00 . A A . 14 LEU HA 1 1
1 198 1 1 14 LEU HB2 H -4.762 -1.013 2.471 1.00 . A A . 14 LEU HB2 1 1
1 199 1 1 14 LEU HB3 H -6.475 -1.387 2.320 1.00 . A A . 14 LEU HB3 1 1
1 200 1 1 14 LEU HD11 H -3.377 -1.383 0.660 1.00 . A A . 14 LEU HD11 1 1
1 201 1 1 14 LEU HD12 H -3.875 -0.912 -0.976 1.00 . A A . 14 LEU HD12 1 1
1 202 1 1 14 LEU HD13 H -3.852 0.303 0.324 1.00 . A A . 14 LEU HD13 1 1
1 203 1 1 14 LEU HD21 H -6.847 -2.704 0.252 1.00 . A A . 14 LEU HD21 1 1
1 204 1 1 14 LEU HD22 H -5.592 -2.649 -0.994 1.00 . A A . 14 LEU HD22 1 1
1 205 1 1 14 LEU HD23 H -5.172 -3.174 0.655 1.00 . A A . 14 LEU HD23 1 1
1 206 1 1 14 LEU HG H -6.146 -0.405 -0.156 1.00 . A A . 14 LEU HG 1 1
1 207 1 1 14 LEU N N -5.172 1.358 3.127 1.00 . A A . 14 LEU N 1 1
1 208 1 1 14 LEU O O -8.373 1.032 1.763 1.00 . A A . 14 LEU O 1 1
1 209 1 1 15 LYS C C -9.564 2.350 4.126 1.00 . A A . 15 LYS C 1 1
1 210 1 1 15 LYS CA C -9.117 0.916 4.356 1.00 . A A . 15 LYS CA 1 1
1 211 1 1 15 LYS CB C -9.207 0.485 5.827 1.00 . A A . 15 LYS CB 1 1
1 212 1 1 15 LYS CD C -9.916 0.994 8.169 1.00 . A A . 15 LYS CD 1 1
1 213 1 1 15 LYS CE C -9.707 2.155 9.138 1.00 . A A . 15 LYS CE 1 1
1 214 1 1 15 LYS CG C -9.835 1.541 6.746 1.00 . A A . 15 LYS CG 1 1
1 215 1 1 15 LYS H H -6.995 0.744 4.544 1.00 . A A . 15 LYS H 1 1
1 216 1 1 15 LYS HA H -9.767 0.270 3.760 1.00 . A A . 15 LYS HA 1 1
1 217 1 1 15 LYS HB2 H -9.794 -0.431 5.878 1.00 . A A . 15 LYS HB2 1 1
1 218 1 1 15 LYS HB3 H -8.210 0.253 6.202 1.00 . A A . 15 LYS HB3 1 1
1 219 1 1 15 LYS HD2 H -10.886 0.519 8.327 1.00 . A A . 15 LYS HD2 1 1
1 220 1 1 15 LYS HD3 H -9.124 0.259 8.325 1.00 . A A . 15 LYS HD3 1 1
1 221 1 1 15 LYS HE2 H -8.750 2.626 8.897 1.00 . A A . 15 LYS HE2 1 1
1 222 1 1 15 LYS HE3 H -10.499 2.894 9.011 1.00 . A A . 15 LYS HE3 1 1
1 223 1 1 15 LYS HG2 H -9.217 2.441 6.745 1.00 . A A . 15 LYS HG2 1 1
1 224 1 1 15 LYS HG3 H -10.839 1.799 6.407 1.00 . A A . 15 LYS HG3 1 1
1 225 1 1 15 LYS HZ1 H -8.879 1.021 10.598 1.00 . A A . 15 LYS HZ1 1 1
1 226 1 1 15 LYS HZ2 H -9.403 2.458 11.134 1.00 . A A . 15 LYS HZ2 1 1
1 227 1 1 15 LYS HZ3 H -10.520 1.269 10.814 1.00 . A A . 15 LYS HZ3 1 1
1 228 1 1 15 LYS N N -7.756 0.767 3.878 1.00 . A A . 15 LYS N 1 1
1 229 1 1 15 LYS NZ N -9.644 1.684 10.532 1.00 . A A . 15 LYS NZ 1 1
1 230 1 1 15 LYS O O -10.730 2.579 3.818 1.00 . A A . 15 LYS O 1 1
1 231 1 1 16 VAL C C -9.508 4.858 2.599 1.00 . A A . 16 VAL C 1 1
1 232 1 1 16 VAL CA C -9.093 4.705 4.053 1.00 . A A . 16 VAL CA 1 1
1 233 1 1 16 VAL CB C -8.001 5.731 4.377 1.00 . A A . 16 VAL CB 1 1
1 234 1 1 16 VAL CG1 C -8.660 7.105 4.556 1.00 . A A . 16 VAL CG1 1 1
1 235 1 1 16 VAL CG2 C -7.218 5.437 5.647 1.00 . A A . 16 VAL CG2 1 1
1 236 1 1 16 VAL H H -7.699 3.104 4.466 1.00 . A A . 16 VAL H 1 1
1 237 1 1 16 VAL HA H -9.959 4.894 4.687 1.00 . A A . 16 VAL HA 1 1
1 238 1 1 16 VAL HB H -7.293 5.731 3.551 1.00 . A A . 16 VAL HB 1 1
1 239 1 1 16 VAL HG11 H -9.421 7.040 5.334 1.00 . A A . 16 VAL HG11 1 1
1 240 1 1 16 VAL HG12 H -7.927 7.853 4.853 1.00 . A A . 16 VAL HG12 1 1
1 241 1 1 16 VAL HG13 H -9.121 7.423 3.624 1.00 . A A . 16 VAL HG13 1 1
1 242 1 1 16 VAL HG21 H -6.662 4.531 5.491 1.00 . A A . 16 VAL HG21 1 1
1 243 1 1 16 VAL HG22 H -6.486 6.224 5.830 1.00 . A A . 16 VAL HG22 1 1
1 244 1 1 16 VAL HG23 H -7.885 5.323 6.500 1.00 . A A . 16 VAL HG23 1 1
1 245 1 1 16 VAL N N -8.667 3.330 4.258 1.00 . A A . 16 VAL N 1 1
1 246 1 1 16 VAL O O -10.462 5.570 2.305 1.00 . A A . 16 VAL O 1 1
1 247 1 1 17 ILE C C -10.520 3.761 -0.041 1.00 . A A . 17 ILE C 1 1
1 248 1 1 17 ILE CA C -9.124 4.315 0.274 1.00 . A A . 17 ILE CA 1 1
1 249 1 1 17 ILE CB C -8.009 3.655 -0.556 1.00 . A A . 17 ILE CB 1 1
1 250 1 1 17 ILE CD1 C -6.640 4.051 -2.679 1.00 . A A . 17 ILE CD1 1 1
1 251 1 1 17 ILE CG1 C -7.705 4.593 -1.724 1.00 . A A . 17 ILE CG1 1 1
1 252 1 1 17 ILE CG2 C -8.346 2.265 -1.107 1.00 . A A . 17 ILE CG2 1 1
1 253 1 1 17 ILE H H -8.036 3.596 1.964 1.00 . A A . 17 ILE H 1 1
1 254 1 1 17 ILE HA H -9.113 5.393 0.068 1.00 . A A . 17 ILE HA 1 1
1 255 1 1 17 ILE HB H -7.112 3.581 0.067 1.00 . A A . 17 ILE HB 1 1
1 256 1 1 17 ILE HD11 H -6.994 3.154 -3.183 1.00 . A A . 17 ILE HD11 1 1
1 257 1 1 17 ILE HD12 H -6.431 4.800 -3.438 1.00 . A A . 17 ILE HD12 1 1
1 258 1 1 17 ILE HD13 H -5.730 3.827 -2.125 1.00 . A A . 17 ILE HD13 1 1
1 259 1 1 17 ILE HG12 H -8.620 4.786 -2.288 1.00 . A A . 17 ILE HG12 1 1
1 260 1 1 17 ILE HG13 H -7.348 5.525 -1.294 1.00 . A A . 17 ILE HG13 1 1
1 261 1 1 17 ILE HG21 H -9.004 2.343 -1.970 1.00 . A A . 17 ILE HG21 1 1
1 262 1 1 17 ILE HG22 H -7.422 1.770 -1.381 1.00 . A A . 17 ILE HG22 1 1
1 263 1 1 17 ILE HG23 H -8.842 1.646 -0.371 1.00 . A A . 17 ILE HG23 1 1
1 264 1 1 17 ILE N N -8.823 4.171 1.684 1.00 . A A . 17 ILE N 1 1
1 265 1 1 17 ILE O O -11.188 4.265 -0.937 1.00 . A A . 17 ILE O 1 1
1 266 1 1 18 GLU C C -13.446 3.157 0.992 1.00 . A A . 18 GLU C 1 1
1 267 1 1 18 GLU CA C -12.337 2.205 0.525 1.00 . A A . 18 GLU CA 1 1
1 268 1 1 18 GLU CB C -12.488 0.870 1.269 1.00 . A A . 18 GLU CB 1 1
1 269 1 1 18 GLU CD C -12.066 -1.602 1.204 1.00 . A A . 18 GLU CD 1 1
1 270 1 1 18 GLU CG C -11.567 -0.232 0.739 1.00 . A A . 18 GLU CG 1 1
1 271 1 1 18 GLU H H -10.408 2.351 1.431 1.00 . A A . 18 GLU H 1 1
1 272 1 1 18 GLU HA H -12.487 2.023 -0.539 1.00 . A A . 18 GLU HA 1 1
1 273 1 1 18 GLU HB2 H -12.303 1.015 2.334 1.00 . A A . 18 GLU HB2 1 1
1 274 1 1 18 GLU HB3 H -13.517 0.530 1.147 1.00 . A A . 18 GLU HB3 1 1
1 275 1 1 18 GLU HG2 H -11.545 -0.195 -0.351 1.00 . A A . 18 GLU HG2 1 1
1 276 1 1 18 GLU HG3 H -10.557 -0.074 1.112 1.00 . A A . 18 GLU HG3 1 1
1 277 1 1 18 GLU N N -10.999 2.765 0.719 1.00 . A A . 18 GLU N 1 1
1 278 1 1 18 GLU O O -14.625 2.871 0.797 1.00 . A A . 18 GLU O 1 1
1 279 1 1 18 GLU OE1 O -11.939 -1.877 2.419 1.00 . A A . 18 GLU OE1 1 1
1 280 1 1 18 GLU OE2 O -12.589 -2.348 0.348 1.00 . A A . 18 GLU OE2 1 1
1 281 1 1 19 LYS C C -13.950 6.601 1.541 1.00 . A A . 19 LYS C 1 1
1 282 1 1 19 LYS CA C -14.069 5.232 2.165 1.00 . A A . 19 LYS CA 1 1
1 283 1 1 19 LYS CB C -13.764 5.446 3.641 1.00 . A A . 19 LYS CB 1 1
1 284 1 1 19 LYS CD C -13.171 3.745 5.418 1.00 . A A . 19 LYS CD 1 1
1 285 1 1 19 LYS CE C -13.832 3.570 6.776 1.00 . A A . 19 LYS CE 1 1
1 286 1 1 19 LYS CG C -14.248 4.260 4.459 1.00 . A A . 19 LYS CG 1 1
1 287 1 1 19 LYS H H -12.116 4.430 1.802 1.00 . A A . 19 LYS H 1 1
1 288 1 1 19 LYS HA H -15.092 4.875 2.029 1.00 . A A . 19 LYS HA 1 1
1 289 1 1 19 LYS HB2 H -12.691 5.605 3.757 1.00 . A A . 19 LYS HB2 1 1
1 290 1 1 19 LYS HB3 H -14.273 6.344 3.999 1.00 . A A . 19 LYS HB3 1 1
1 291 1 1 19 LYS HD2 H -12.791 2.790 5.057 1.00 . A A . 19 LYS HD2 1 1
1 292 1 1 19 LYS HD3 H -12.345 4.450 5.513 1.00 . A A . 19 LYS HD3 1 1
1 293 1 1 19 LYS HE2 H -13.077 3.311 7.520 1.00 . A A . 19 LYS HE2 1 1
1 294 1 1 19 LYS HE3 H -14.279 4.529 7.049 1.00 . A A . 19 LYS HE3 1 1
1 295 1 1 19 LYS HG2 H -15.123 4.597 5.018 1.00 . A A . 19 LYS HG2 1 1
1 296 1 1 19 LYS HG3 H -14.564 3.446 3.805 1.00 . A A . 19 LYS HG3 1 1
1 297 1 1 19 LYS HZ1 H -15.631 2.746 7.340 1.00 . A A . 19 LYS HZ1 1 1
1 298 1 1 19 LYS HZ2 H -15.247 2.484 5.763 1.00 . A A . 19 LYS HZ2 1 1
1 299 1 1 19 LYS HZ3 H -14.483 1.625 6.930 1.00 . A A . 19 LYS HZ3 1 1
1 300 1 1 19 LYS N N -13.100 4.279 1.626 1.00 . A A . 19 LYS N 1 1
1 301 1 1 19 LYS NZ N -14.876 2.528 6.704 1.00 . A A . 19 LYS NZ 1 1
1 302 1 1 19 LYS O O -14.933 7.330 1.453 1.00 . A A . 19 LYS O 1 1
1 303 1 1 20 ALA C C -13.004 8.677 -0.379 1.00 . A A . 20 ALA C 1 1
1 304 1 1 20 ALA CA C -12.395 8.363 0.972 1.00 . A A . 20 ALA CA 1 1
1 305 1 1 20 ALA CB C -10.882 8.501 0.983 1.00 . A A . 20 ALA CB 1 1
1 306 1 1 20 ALA H H -11.949 6.347 1.275 1.00 . A A . 20 ALA H 1 1
1 307 1 1 20 ALA HA H -12.826 9.008 1.741 1.00 . A A . 20 ALA HA 1 1
1 308 1 1 20 ALA HB1 H -10.450 7.744 0.336 1.00 . A A . 20 ALA HB1 1 1
1 309 1 1 20 ALA HB2 H -10.608 9.486 0.622 1.00 . A A . 20 ALA HB2 1 1
1 310 1 1 20 ALA HB3 H -10.513 8.349 1.997 1.00 . A A . 20 ALA HB3 1 1
1 311 1 1 20 ALA N N -12.717 6.997 1.259 1.00 . A A . 20 ALA N 1 1
1 312 1 1 20 ALA O O -12.616 8.102 -1.392 1.00 . A A . 20 ALA O 1 1
1 313 1 1 21 ASP C C -14.078 10.932 -2.420 1.00 . A A . 21 ASP C 1 1
1 314 1 1 21 ASP CA C -14.754 9.837 -1.597 1.00 . A A . 21 ASP CA 1 1
1 315 1 1 21 ASP CB C -16.194 10.201 -1.228 1.00 . A A . 21 ASP CB 1 1
1 316 1 1 21 ASP CG C -17.113 10.154 -2.451 1.00 . A A . 21 ASP CG 1 1
1 317 1 1 21 ASP H H -14.190 10.071 0.467 1.00 . A A . 21 ASP H 1 1
1 318 1 1 21 ASP HA H -14.784 8.926 -2.199 1.00 . A A . 21 ASP HA 1 1
1 319 1 1 21 ASP HB2 H -16.564 9.481 -0.496 1.00 . A A . 21 ASP HB2 1 1
1 320 1 1 21 ASP HB3 H -16.216 11.194 -0.775 1.00 . A A . 21 ASP HB3 1 1
1 321 1 1 21 ASP N N -13.981 9.576 -0.388 1.00 . A A . 21 ASP N 1 1
1 322 1 1 21 ASP O O -14.596 11.394 -3.432 1.00 . A A . 21 ASP O 1 1
1 323 1 1 21 ASP OD1 O -17.005 9.166 -3.213 1.00 . A A . 21 ASP OD1 1 1
1 324 1 1 21 ASP OD2 O -17.942 11.082 -2.580 1.00 . A A . 21 ASP OD2 1 1
1 325 1 1 22 ASN C C -10.700 12.102 -2.666 1.00 . A A . 22 ASN C 1 1
1 326 1 1 22 ASN CA C -12.178 12.450 -2.625 1.00 . A A . 22 ASN CA 1 1
1 327 1 1 22 ASN CB C -12.435 13.782 -1.906 1.00 . A A . 22 ASN CB 1 1
1 328 1 1 22 ASN CG C -12.205 13.726 -0.398 1.00 . A A . 22 ASN CG 1 1
1 329 1 1 22 ASN H H -12.431 10.941 -1.205 1.00 . A A . 22 ASN H 1 1
1 330 1 1 22 ASN HA H -12.533 12.542 -3.652 1.00 . A A . 22 ASN HA 1 1
1 331 1 1 22 ASN HB2 H -11.774 14.539 -2.322 1.00 . A A . 22 ASN HB2 1 1
1 332 1 1 22 ASN HB3 H -13.460 14.078 -2.115 1.00 . A A . 22 ASN HB3 1 1
1 333 1 1 22 ASN HD21 H -13.975 14.644 0.052 1.00 . A A . 22 ASN HD21 1 1
1 334 1 1 22 ASN HD22 H -12.963 14.154 1.399 1.00 . A A . 22 ASN HD22 1 1
1 335 1 1 22 ASN N N -12.899 11.381 -1.983 1.00 . A A . 22 ASN N 1 1
1 336 1 1 22 ASN ND2 N -13.129 14.228 0.407 1.00 . A A . 22 ASN ND2 1 1
1 337 1 1 22 ASN O O -10.168 11.369 -1.832 1.00 . A A . 22 ASN O 1 1
1 338 1 1 22 ASN OD1 O -11.178 13.255 0.063 1.00 . A A . 22 ASN OD1 1 1
1 339 1 1 23 ALA C C -7.802 12.915 -2.739 1.00 . A A . 23 ALA C 1 1
1 340 1 1 23 ALA CA C -8.628 12.404 -3.918 1.00 . A A . 23 ALA CA 1 1
1 341 1 1 23 ALA CB C -8.206 13.074 -5.228 1.00 . A A . 23 ALA CB 1 1
1 342 1 1 23 ALA H H -10.558 13.231 -4.323 1.00 . A A . 23 ALA H 1 1
1 343 1 1 23 ALA HA H -8.457 11.331 -4.016 1.00 . A A . 23 ALA HA 1 1
1 344 1 1 23 ALA HB1 H -7.188 13.454 -5.146 1.00 . A A . 23 ALA HB1 1 1
1 345 1 1 23 ALA HB2 H -8.243 12.338 -6.030 1.00 . A A . 23 ALA HB2 1 1
1 346 1 1 23 ALA HB3 H -8.868 13.903 -5.479 1.00 . A A . 23 ALA HB3 1 1
1 347 1 1 23 ALA N N -10.040 12.645 -3.686 1.00 . A A . 23 ALA N 1 1
1 348 1 1 23 ALA O O -6.728 12.387 -2.482 1.00 . A A . 23 ALA O 1 1
1 349 1 1 24 ALA C C -7.335 13.371 0.174 1.00 . A A . 24 ALA C 1 1
1 350 1 1 24 ALA CA C -7.628 14.469 -0.848 1.00 . A A . 24 ALA CA 1 1
1 351 1 1 24 ALA CB C -8.464 15.615 -0.256 1.00 . A A . 24 ALA CB 1 1
1 352 1 1 24 ALA H H -9.199 14.294 -2.262 1.00 . A A . 24 ALA H 1 1
1 353 1 1 24 ALA HA H -6.672 14.876 -1.173 1.00 . A A . 24 ALA HA 1 1
1 354 1 1 24 ALA HB1 H -8.517 15.528 0.830 1.00 . A A . 24 ALA HB1 1 1
1 355 1 1 24 ALA HB2 H -7.996 16.568 -0.504 1.00 . A A . 24 ALA HB2 1 1
1 356 1 1 24 ALA HB3 H -9.479 15.609 -0.655 1.00 . A A . 24 ALA HB3 1 1
1 357 1 1 24 ALA N N -8.301 13.917 -2.011 1.00 . A A . 24 ALA N 1 1
1 358 1 1 24 ALA O O -6.175 13.075 0.447 1.00 . A A . 24 ALA O 1 1
1 359 1 1 25 GLN C C -7.599 10.479 1.218 1.00 . A A . 25 GLN C 1 1
1 360 1 1 25 GLN CA C -8.238 11.750 1.768 1.00 . A A . 25 GLN CA 1 1
1 361 1 1 25 GLN CB C -9.604 11.433 2.378 1.00 . A A . 25 GLN CB 1 1
1 362 1 1 25 GLN CD C -11.443 12.079 3.951 1.00 . A A . 25 GLN CD 1 1
1 363 1 1 25 GLN CG C -10.095 12.497 3.362 1.00 . A A . 25 GLN CG 1 1
1 364 1 1 25 GLN H H -9.307 12.982 0.418 1.00 . A A . 25 GLN H 1 1
1 365 1 1 25 GLN HA H -7.587 12.136 2.548 1.00 . A A . 25 GLN HA 1 1
1 366 1 1 25 GLN HB2 H -10.349 11.330 1.589 1.00 . A A . 25 GLN HB2 1 1
1 367 1 1 25 GLN HB3 H -9.522 10.490 2.915 1.00 . A A . 25 GLN HB3 1 1
1 368 1 1 25 GLN HE21 H -11.470 13.615 5.301 1.00 . A A . 25 GLN HE21 1 1
1 369 1 1 25 GLN HE22 H -12.827 12.495 5.317 1.00 . A A . 25 GLN HE22 1 1
1 370 1 1 25 GLN HG2 H -9.367 12.610 4.167 1.00 . A A . 25 GLN HG2 1 1
1 371 1 1 25 GLN HG3 H -10.207 13.450 2.846 1.00 . A A . 25 GLN HG3 1 1
1 372 1 1 25 GLN N N -8.377 12.755 0.729 1.00 . A A . 25 GLN N 1 1
1 373 1 1 25 GLN NE2 N -11.950 12.810 4.934 1.00 . A A . 25 GLN NE2 1 1
1 374 1 1 25 GLN O O -6.776 9.876 1.903 1.00 . A A . 25 GLN O 1 1
1 375 1 1 25 GLN OE1 O -12.047 11.098 3.533 1.00 . A A . 25 GLN OE1 1 1
1 376 1 1 26 VAL C C -5.737 9.165 -0.633 1.00 . A A . 26 VAL C 1 1
1 377 1 1 26 VAL CA C -7.257 8.942 -0.644 1.00 . A A . 26 VAL CA 1 1
1 378 1 1 26 VAL CB C -7.816 8.755 -2.068 1.00 . A A . 26 VAL CB 1 1
1 379 1 1 26 VAL CG1 C -6.894 7.969 -3.002 1.00 . A A . 26 VAL CG1 1 1
1 380 1 1 26 VAL CG2 C -9.162 8.029 -1.984 1.00 . A A . 26 VAL CG2 1 1
1 381 1 1 26 VAL H H -8.629 10.586 -0.551 1.00 . A A . 26 VAL H 1 1
1 382 1 1 26 VAL HA H -7.477 8.032 -0.069 1.00 . A A . 26 VAL HA 1 1
1 383 1 1 26 VAL HB H -7.968 9.734 -2.520 1.00 . A A . 26 VAL HB 1 1
1 384 1 1 26 VAL HG11 H -6.585 7.044 -2.529 1.00 . A A . 26 VAL HG11 1 1
1 385 1 1 26 VAL HG12 H -7.415 7.738 -3.930 1.00 . A A . 26 VAL HG12 1 1
1 386 1 1 26 VAL HG13 H -6.011 8.560 -3.238 1.00 . A A . 26 VAL HG13 1 1
1 387 1 1 26 VAL HG21 H -9.935 8.722 -1.653 1.00 . A A . 26 VAL HG21 1 1
1 388 1 1 26 VAL HG22 H -9.451 7.620 -2.949 1.00 . A A . 26 VAL HG22 1 1
1 389 1 1 26 VAL HG23 H -9.097 7.188 -1.301 1.00 . A A . 26 VAL HG23 1 1
1 390 1 1 26 VAL N N -7.923 10.083 -0.019 1.00 . A A . 26 VAL N 1 1
1 391 1 1 26 VAL O O -4.980 8.245 -0.337 1.00 . A A . 26 VAL O 1 1
1 392 1 1 27 LYS C C -3.167 10.814 0.288 1.00 . A A . 27 LYS C 1 1
1 393 1 1 27 LYS CA C -3.844 10.672 -1.063 1.00 . A A . 27 LYS CA 1 1
1 394 1 1 27 LYS CB C -3.644 11.962 -1.852 1.00 . A A . 27 LYS CB 1 1
1 395 1 1 27 LYS CD C -4.085 12.839 -4.200 1.00 . A A . 27 LYS CD 1 1
1 396 1 1 27 LYS CE C -2.922 13.833 -4.157 1.00 . A A . 27 LYS CE 1 1
1 397 1 1 27 LYS CG C -3.884 11.620 -3.317 1.00 . A A . 27 LYS CG 1 1
1 398 1 1 27 LYS H H -5.931 11.124 -1.131 1.00 . A A . 27 LYS H 1 1
1 399 1 1 27 LYS HA H -3.367 9.867 -1.618 1.00 . A A . 27 LYS HA 1 1
1 400 1 1 27 LYS HB2 H -4.336 12.729 -1.505 1.00 . A A . 27 LYS HB2 1 1
1 401 1 1 27 LYS HB3 H -2.618 12.315 -1.733 1.00 . A A . 27 LYS HB3 1 1
1 402 1 1 27 LYS HD2 H -4.174 12.448 -5.202 1.00 . A A . 27 LYS HD2 1 1
1 403 1 1 27 LYS HD3 H -5.020 13.328 -3.943 1.00 . A A . 27 LYS HD3 1 1
1 404 1 1 27 LYS HE2 H -2.056 13.356 -3.695 1.00 . A A . 27 LYS HE2 1 1
1 405 1 1 27 LYS HE3 H -2.654 14.106 -5.179 1.00 . A A . 27 LYS HE3 1 1
1 406 1 1 27 LYS HG2 H -3.034 11.060 -3.694 1.00 . A A . 27 LYS HG2 1 1
1 407 1 1 27 LYS HG3 H -4.766 10.988 -3.398 1.00 . A A . 27 LYS HG3 1 1
1 408 1 1 27 LYS HZ1 H -2.493 15.690 -3.398 1.00 . A A . 27 LYS HZ1 1 1
1 409 1 1 27 LYS HZ2 H -4.047 15.526 -3.898 1.00 . A A . 27 LYS HZ2 1 1
1 410 1 1 27 LYS HZ3 H -3.567 14.836 -2.478 1.00 . A A . 27 LYS HZ3 1 1
1 411 1 1 27 LYS N N -5.271 10.381 -0.937 1.00 . A A . 27 LYS N 1 1
1 412 1 1 27 LYS NZ N -3.285 15.062 -3.422 1.00 . A A . 27 LYS NZ 1 1
1 413 1 1 27 LYS O O -2.010 10.424 0.439 1.00 . A A . 27 LYS O 1 1
1 414 1 1 28 ASP C C -3.087 10.329 3.276 1.00 . A A . 28 ASP C 1 1
1 415 1 1 28 ASP CA C -3.346 11.666 2.581 1.00 . A A . 28 ASP CA 1 1
1 416 1 1 28 ASP CB C -4.371 12.530 3.325 1.00 . A A . 28 ASP CB 1 1
1 417 1 1 28 ASP CG C -3.872 12.981 4.693 1.00 . A A . 28 ASP CG 1 1
1 418 1 1 28 ASP H H -4.790 11.755 1.042 1.00 . A A . 28 ASP H 1 1
1 419 1 1 28 ASP HA H -2.410 12.218 2.502 1.00 . A A . 28 ASP HA 1 1
1 420 1 1 28 ASP HB2 H -4.577 13.422 2.729 1.00 . A A . 28 ASP HB2 1 1
1 421 1 1 28 ASP HB3 H -5.304 11.975 3.439 1.00 . A A . 28 ASP HB3 1 1
1 422 1 1 28 ASP N N -3.864 11.411 1.248 1.00 . A A . 28 ASP N 1 1
1 423 1 1 28 ASP O O -2.010 10.062 3.805 1.00 . A A . 28 ASP O 1 1
1 424 1 1 28 ASP OD1 O -2.638 13.106 4.840 1.00 . A A . 28 ASP OD1 1 1
1 425 1 1 28 ASP OD2 O -4.741 13.227 5.557 1.00 . A A . 28 ASP OD2 1 1
1 426 1 1 29 ALA C C -2.728 7.368 2.831 1.00 . A A . 29 ALA C 1 1
1 427 1 1 29 ALA CA C -3.846 8.046 3.616 1.00 . A A . 29 ALA CA 1 1
1 428 1 1 29 ALA CB C -5.157 7.290 3.452 1.00 . A A . 29 ALA CB 1 1
1 429 1 1 29 ALA H H -4.908 9.653 2.693 1.00 . A A . 29 ALA H 1 1
1 430 1 1 29 ALA HA H -3.568 8.054 4.671 1.00 . A A . 29 ALA HA 1 1
1 431 1 1 29 ALA HB1 H -5.572 7.447 2.455 1.00 . A A . 29 ALA HB1 1 1
1 432 1 1 29 ALA HB2 H -4.988 6.226 3.612 1.00 . A A . 29 ALA HB2 1 1
1 433 1 1 29 ALA HB3 H -5.854 7.669 4.193 1.00 . A A . 29 ALA HB3 1 1
1 434 1 1 29 ALA N N -4.043 9.409 3.161 1.00 . A A . 29 ALA N 1 1
1 435 1 1 29 ALA O O -1.796 6.806 3.406 1.00 . A A . 29 ALA O 1 1
1 436 1 1 30 LEU C C -0.366 7.194 1.003 1.00 . A A . 30 LEU C 1 1
1 437 1 1 30 LEU CA C -1.790 6.694 0.716 1.00 . A A . 30 LEU CA 1 1
1 438 1 1 30 LEU CB C -2.080 6.829 -0.789 1.00 . A A . 30 LEU CB 1 1
1 439 1 1 30 LEU CD1 C -3.630 6.323 -2.696 1.00 . A A . 30 LEU CD1 1 1
1 440 1 1 30 LEU CD2 C -2.587 4.466 -1.476 1.00 . A A . 30 LEU CD2 1 1
1 441 1 1 30 LEU CG C -3.158 5.873 -1.313 1.00 . A A . 30 LEU CG 1 1
1 442 1 1 30 LEU H H -3.572 7.848 1.043 1.00 . A A . 30 LEU H 1 1
1 443 1 1 30 LEU HA H -1.876 5.659 1.050 1.00 . A A . 30 LEU HA 1 1
1 444 1 1 30 LEU HB2 H -2.386 7.854 -0.985 1.00 . A A . 30 LEU HB2 1 1
1 445 1 1 30 LEU HB3 H -1.163 6.640 -1.348 1.00 . A A . 30 LEU HB3 1 1
1 446 1 1 30 LEU HD11 H -2.794 6.337 -3.393 1.00 . A A . 30 LEU HD11 1 1
1 447 1 1 30 LEU HD12 H -4.375 5.626 -3.071 1.00 . A A . 30 LEU HD12 1 1
1 448 1 1 30 LEU HD13 H -4.067 7.317 -2.631 1.00 . A A . 30 LEU HD13 1 1
1 449 1 1 30 LEU HD21 H -2.161 4.142 -0.536 1.00 . A A . 30 LEU HD21 1 1
1 450 1 1 30 LEU HD22 H -3.375 3.772 -1.768 1.00 . A A . 30 LEU HD22 1 1
1 451 1 1 30 LEU HD23 H -1.807 4.460 -2.238 1.00 . A A . 30 LEU HD23 1 1
1 452 1 1 30 LEU HG H -3.996 5.854 -0.617 1.00 . A A . 30 LEU HG 1 1
1 453 1 1 30 LEU N N -2.780 7.416 1.500 1.00 . A A . 30 LEU N 1 1
1 454 1 1 30 LEU O O 0.595 6.434 0.898 1.00 . A A . 30 LEU O 1 1
1 455 1 1 31 THR C C 1.555 8.205 3.060 1.00 . A A . 31 THR C 1 1
1 456 1 1 31 THR CA C 1.047 9.005 1.868 1.00 . A A . 31 THR CA 1 1
1 457 1 1 31 THR CB C 0.841 10.490 2.195 1.00 . A A . 31 THR CB 1 1
1 458 1 1 31 THR CG2 C 1.881 11.084 3.150 1.00 . A A . 31 THR CG2 1 1
1 459 1 1 31 THR H H -1.049 9.024 1.527 1.00 . A A . 31 THR H 1 1
1 460 1 1 31 THR HA H 1.781 8.919 1.069 1.00 . A A . 31 THR HA 1 1
1 461 1 1 31 THR HB H -0.129 10.625 2.655 1.00 . A A . 31 THR HB 1 1
1 462 1 1 31 THR HG1 H 0.006 10.952 0.524 1.00 . A A . 31 THR HG1 1 1
1 463 1 1 31 THR HG21 H 2.887 10.928 2.765 1.00 . A A . 31 THR HG21 1 1
1 464 1 1 31 THR HG22 H 1.692 12.151 3.267 1.00 . A A . 31 THR HG22 1 1
1 465 1 1 31 THR HG23 H 1.786 10.623 4.134 1.00 . A A . 31 THR HG23 1 1
1 466 1 1 31 THR N N -0.221 8.453 1.420 1.00 . A A . 31 THR N 1 1
1 467 1 1 31 THR O O 2.710 7.771 3.079 1.00 . A A . 31 THR O 1 1
1 468 1 1 31 THR OG1 O 0.828 11.189 0.971 1.00 . A A . 31 THR OG1 1 1
1 469 1 1 32 LYS C C 1.472 5.771 4.799 1.00 . A A . 32 LYS C 1 1
1 470 1 1 32 LYS CA C 1.085 7.188 5.206 1.00 . A A . 32 LYS CA 1 1
1 471 1 1 32 LYS CB C -0.053 7.133 6.226 1.00 . A A . 32 LYS CB 1 1
1 472 1 1 32 LYS CD C -0.428 6.734 8.665 1.00 . A A . 32 LYS CD 1 1
1 473 1 1 32 LYS CE C -0.790 7.641 9.836 1.00 . A A . 32 LYS CE 1 1
1 474 1 1 32 LYS CG C 0.428 7.479 7.636 1.00 . A A . 32 LYS CG 1 1
1 475 1 1 32 LYS H H -0.275 8.271 3.959 1.00 . A A . 32 LYS H 1 1
1 476 1 1 32 LYS HA H 1.957 7.666 5.651 1.00 . A A . 32 LYS HA 1 1
1 477 1 1 32 LYS HB2 H -0.870 7.801 5.948 1.00 . A A . 32 LYS HB2 1 1
1 478 1 1 32 LYS HB3 H -0.442 6.124 6.234 1.00 . A A . 32 LYS HB3 1 1
1 479 1 1 32 LYS HD2 H -1.357 6.392 8.205 1.00 . A A . 32 LYS HD2 1 1
1 480 1 1 32 LYS HD3 H 0.130 5.869 9.025 1.00 . A A . 32 LYS HD3 1 1
1 481 1 1 32 LYS HE2 H 0.120 8.075 10.257 1.00 . A A . 32 LYS HE2 1 1
1 482 1 1 32 LYS HE3 H -1.416 8.449 9.451 1.00 . A A . 32 LYS HE3 1 1
1 483 1 1 32 LYS HG2 H 1.469 7.178 7.766 1.00 . A A . 32 LYS HG2 1 1
1 484 1 1 32 LYS HG3 H 0.350 8.557 7.777 1.00 . A A . 32 LYS HG3 1 1
1 485 1 1 32 LYS HZ1 H -2.158 7.503 11.366 1.00 . A A . 32 LYS HZ1 1 1
1 486 1 1 32 LYS HZ2 H -2.064 6.143 10.448 1.00 . A A . 32 LYS HZ2 1 1
1 487 1 1 32 LYS HZ3 H -0.875 6.479 11.532 1.00 . A A . 32 LYS HZ3 1 1
1 488 1 1 32 LYS N N 0.689 7.963 4.045 1.00 . A A . 32 LYS N 1 1
1 489 1 1 32 LYS NZ N -1.525 6.888 10.874 1.00 . A A . 32 LYS NZ 1 1
1 490 1 1 32 LYS O O 2.354 5.187 5.417 1.00 . A A . 32 LYS O 1 1
1 491 1 1 33 MET C C 2.636 3.882 2.801 1.00 . A A . 33 MET C 1 1
1 492 1 1 33 MET CA C 1.190 3.910 3.244 1.00 . A A . 33 MET CA 1 1
1 493 1 1 33 MET CB C 0.284 3.645 2.046 1.00 . A A . 33 MET CB 1 1
1 494 1 1 33 MET CE C -1.300 0.649 0.305 1.00 . A A . 33 MET CE 1 1
1 495 1 1 33 MET CG C -0.292 2.256 2.142 1.00 . A A . 33 MET CG 1 1
1 496 1 1 33 MET H H 0.065 5.659 3.295 1.00 . A A . 33 MET H 1 1
1 497 1 1 33 MET HA H 1.038 3.165 4.024 1.00 . A A . 33 MET HA 1 1
1 498 1 1 33 MET HB2 H -0.549 4.341 2.049 1.00 . A A . 33 MET HB2 1 1
1 499 1 1 33 MET HB3 H 0.821 3.755 1.101 1.00 . A A . 33 MET HB3 1 1
1 500 1 1 33 MET HE1 H -1.463 -0.184 0.986 1.00 . A A . 33 MET HE1 1 1
1 501 1 1 33 MET HE2 H -1.890 0.560 -0.601 1.00 . A A . 33 MET HE2 1 1
1 502 1 1 33 MET HE3 H -0.249 0.736 0.056 1.00 . A A . 33 MET HE3 1 1
1 503 1 1 33 MET HG2 H 0.462 1.544 1.809 1.00 . A A . 33 MET HG2 1 1
1 504 1 1 33 MET HG3 H -0.552 2.040 3.171 1.00 . A A . 33 MET HG3 1 1
1 505 1 1 33 MET N N 0.848 5.215 3.758 1.00 . A A . 33 MET N 1 1
1 506 1 1 33 MET O O 3.379 2.960 3.120 1.00 . A A . 33 MET O 1 1
1 507 1 1 33 MET SD S -1.783 2.138 1.150 1.00 . A A . 33 MET SD 1 1
1 508 1 1 34 ARG C C 5.369 5.056 2.654 1.00 . A A . 34 ARG C 1 1
1 509 1 1 34 ARG CA C 4.363 5.013 1.510 1.00 . A A . 34 ARG CA 1 1
1 510 1 1 34 ARG CB C 4.419 6.257 0.618 1.00 . A A . 34 ARG CB 1 1
1 511 1 1 34 ARG CD C 5.432 7.316 -1.396 1.00 . A A . 34 ARG CD 1 1
1 512 1 1 34 ARG CG C 5.298 6.012 -0.607 1.00 . A A . 34 ARG CG 1 1
1 513 1 1 34 ARG CZ C 6.990 9.268 -1.328 1.00 . A A . 34 ARG CZ 1 1
1 514 1 1 34 ARG H H 2.350 5.638 1.845 1.00 . A A . 34 ARG H 1 1
1 515 1 1 34 ARG HA H 4.555 4.118 0.916 1.00 . A A . 34 ARG HA 1 1
1 516 1 1 34 ARG HB2 H 3.416 6.494 0.257 1.00 . A A . 34 ARG HB2 1 1
1 517 1 1 34 ARG HB3 H 4.783 7.111 1.191 1.00 . A A . 34 ARG HB3 1 1
1 518 1 1 34 ARG HD2 H 5.722 7.079 -2.421 1.00 . A A . 34 ARG HD2 1 1
1 519 1 1 34 ARG HD3 H 4.470 7.832 -1.409 1.00 . A A . 34 ARG HD3 1 1
1 520 1 1 34 ARG HE H 6.758 7.881 0.136 1.00 . A A . 34 ARG HE 1 1
1 521 1 1 34 ARG HG2 H 6.284 5.658 -0.301 1.00 . A A . 34 ARG HG2 1 1
1 522 1 1 34 ARG HG3 H 4.828 5.255 -1.236 1.00 . A A . 34 ARG HG3 1 1
1 523 1 1 34 ARG HH11 H 5.849 9.209 -3.015 1.00 . A A . 34 ARG HH11 1 1
1 524 1 1 34 ARG HH12 H 6.911 10.567 -2.923 1.00 . A A . 34 ARG HH12 1 1
1 525 1 1 34 ARG HH21 H 8.394 9.489 0.138 1.00 . A A . 34 ARG HH21 1 1
1 526 1 1 34 ARG HH22 H 8.390 10.743 -1.047 1.00 . A A . 34 ARG HH22 1 1
1 527 1 1 34 ARG N N 3.028 4.913 2.058 1.00 . A A . 34 ARG N 1 1
1 528 1 1 34 ARG NE N 6.451 8.175 -0.779 1.00 . A A . 34 ARG NE 1 1
1 529 1 1 34 ARG NH1 N 6.546 9.729 -2.497 1.00 . A A . 34 ARG NH1 1 1
1 530 1 1 34 ARG NH2 N 7.984 9.891 -0.692 1.00 . A A . 34 ARG NH2 1 1
1 531 1 1 34 ARG O O 6.348 4.317 2.641 1.00 . A A . 34 ARG O 1 1
1 532 1 1 35 ALA C C 6.055 4.586 5.541 1.00 . A A . 35 ALA C 1 1
1 533 1 1 35 ALA CA C 5.930 5.956 4.867 1.00 . A A . 35 ALA CA 1 1
1 534 1 1 35 ALA CB C 5.345 7.002 5.829 1.00 . A A . 35 ALA CB 1 1
1 535 1 1 35 ALA H H 4.261 6.443 3.618 1.00 . A A . 35 ALA H 1 1
1 536 1 1 35 ALA HA H 6.933 6.273 4.579 1.00 . A A . 35 ALA HA 1 1
1 537 1 1 35 ALA HB1 H 5.885 7.942 5.718 1.00 . A A . 35 ALA HB1 1 1
1 538 1 1 35 ALA HB2 H 4.289 7.174 5.619 1.00 . A A . 35 ALA HB2 1 1
1 539 1 1 35 ALA HB3 H 5.442 6.663 6.861 1.00 . A A . 35 ALA HB3 1 1
1 540 1 1 35 ALA N N 5.100 5.877 3.671 1.00 . A A . 35 ALA N 1 1
1 541 1 1 35 ALA O O 7.147 4.160 5.907 1.00 . A A . 35 ALA O 1 1
1 542 1 1 36 ALA C C 5.723 1.535 5.511 1.00 . A A . 36 ALA C 1 1
1 543 1 1 36 ALA CA C 4.969 2.572 6.345 1.00 . A A . 36 ALA CA 1 1
1 544 1 1 36 ALA CB C 3.534 2.129 6.623 1.00 . A A . 36 ALA CB 1 1
1 545 1 1 36 ALA H H 4.066 4.229 5.359 1.00 . A A . 36 ALA H 1 1
1 546 1 1 36 ALA HA H 5.490 2.665 7.300 1.00 . A A . 36 ALA HA 1 1
1 547 1 1 36 ALA HB1 H 2.878 2.395 5.793 1.00 . A A . 36 ALA HB1 1 1
1 548 1 1 36 ALA HB2 H 3.510 1.053 6.769 1.00 . A A . 36 ALA HB2 1 1
1 549 1 1 36 ALA HB3 H 3.185 2.608 7.537 1.00 . A A . 36 ALA HB3 1 1
1 550 1 1 36 ALA N N 4.948 3.866 5.689 1.00 . A A . 36 ALA N 1 1
1 551 1 1 36 ALA O O 6.371 0.663 6.072 1.00 . A A . 36 ALA O 1 1
1 552 1 1 37 ALA C C 7.890 0.956 3.375 1.00 . A A . 37 ALA C 1 1
1 553 1 1 37 ALA CA C 6.392 0.703 3.303 1.00 . A A . 37 ALA CA 1 1
1 554 1 1 37 ALA CB C 5.917 0.896 1.857 1.00 . A A . 37 ALA CB 1 1
1 555 1 1 37 ALA H H 5.203 2.399 3.771 1.00 . A A . 37 ALA H 1 1
1 556 1 1 37 ALA HA H 6.186 -0.319 3.621 1.00 . A A . 37 ALA HA 1 1
1 557 1 1 37 ALA HB1 H 6.233 0.042 1.257 1.00 . A A . 37 ALA HB1 1 1
1 558 1 1 37 ALA HB2 H 4.831 0.979 1.817 1.00 . A A . 37 ALA HB2 1 1
1 559 1 1 37 ALA HB3 H 6.355 1.802 1.436 1.00 . A A . 37 ALA HB3 1 1
1 560 1 1 37 ALA N N 5.696 1.629 4.183 1.00 . A A . 37 ALA N 1 1
1 561 1 1 37 ALA O O 8.688 0.028 3.287 1.00 . A A . 37 ALA O 1 1
1 562 1 1 38 LEU C C 10.242 2.090 4.878 1.00 . A A . 38 LEU C 1 1
1 563 1 1 38 LEU CA C 9.624 2.686 3.606 1.00 . A A . 38 LEU CA 1 1
1 564 1 1 38 LEU CB C 9.472 4.222 3.566 1.00 . A A . 38 LEU CB 1 1
1 565 1 1 38 LEU CD1 C 11.634 4.808 4.551 1.00 . A A . 38 LEU CD1 1 1
1 566 1 1 38 LEU CD2 C 11.366 4.808 2.019 1.00 . A A . 38 LEU CD2 1 1
1 567 1 1 38 LEU CG C 10.716 5.073 3.376 1.00 . A A . 38 LEU CG 1 1
1 568 1 1 38 LEU H H 7.615 2.976 3.687 1.00 . A A . 38 LEU H 1 1
1 569 1 1 38 LEU HA H 10.171 2.335 2.732 1.00 . A A . 38 LEU HA 1 1
1 570 1 1 38 LEU HB2 H 8.807 4.480 2.743 1.00 . A A . 38 LEU HB2 1 1
1 571 1 1 38 LEU HB3 H 8.989 4.555 4.481 1.00 . A A . 38 LEU HB3 1 1
1 572 1 1 38 LEU HD11 H 12.141 3.860 4.401 1.00 . A A . 38 LEU HD11 1 1
1 573 1 1 38 LEU HD12 H 12.366 5.608 4.639 1.00 . A A . 38 LEU HD12 1 1
1 574 1 1 38 LEU HD13 H 11.013 4.748 5.448 1.00 . A A . 38 LEU HD13 1 1
1 575 1 1 38 LEU HD21 H 10.627 4.952 1.230 1.00 . A A . 38 LEU HD21 1 1
1 576 1 1 38 LEU HD22 H 12.187 5.507 1.864 1.00 . A A . 38 LEU HD22 1 1
1 577 1 1 38 LEU HD23 H 11.745 3.788 1.973 1.00 . A A . 38 LEU HD23 1 1
1 578 1 1 38 LEU HG H 10.408 6.120 3.410 1.00 . A A . 38 LEU HG 1 1
1 579 1 1 38 LEU N N 8.269 2.222 3.541 1.00 . A A . 38 LEU N 1 1
1 580 1 1 38 LEU O O 11.369 1.602 4.859 1.00 . A A . 38 LEU O 1 1
1 581 1 1 39 ASP C C 9.956 0.072 7.332 1.00 . A A . 39 ASP C 1 1
1 582 1 1 39 ASP CA C 9.984 1.595 7.263 1.00 . A A . 39 ASP CA 1 1
1 583 1 1 39 ASP CB C 9.126 2.195 8.373 1.00 . A A . 39 ASP CB 1 1
1 584 1 1 39 ASP CG C 9.864 2.191 9.723 1.00 . A A . 39 ASP CG 1 1
1 585 1 1 39 ASP H H 8.519 2.361 5.930 1.00 . A A . 39 ASP H 1 1
1 586 1 1 39 ASP HA H 11.008 1.943 7.385 1.00 . A A . 39 ASP HA 1 1
1 587 1 1 39 ASP HB2 H 8.855 3.203 8.084 1.00 . A A . 39 ASP HB2 1 1
1 588 1 1 39 ASP HB3 H 8.191 1.644 8.437 1.00 . A A . 39 ASP HB3 1 1
1 589 1 1 39 ASP N N 9.480 2.054 5.974 1.00 . A A . 39 ASP N 1 1
1 590 1 1 39 ASP O O 10.856 -0.568 7.865 1.00 . A A . 39 ASP O 1 1
1 591 1 1 39 ASP OD1 O 11.101 2.379 9.731 1.00 . A A . 39 ASP OD1 1 1
1 592 1 1 39 ASP OD2 O 9.214 1.913 10.755 1.00 . A A . 39 ASP OD2 1 1
1 593 1 1 40 ALA C C 10.031 -2.503 5.693 1.00 . A A . 40 ALA C 1 1
1 594 1 1 40 ALA CA C 8.862 -1.971 6.529 1.00 . A A . 40 ALA CA 1 1
1 595 1 1 40 ALA CB C 7.538 -2.280 5.840 1.00 . A A . 40 ALA CB 1 1
1 596 1 1 40 ALA H H 8.175 0.042 6.403 1.00 . A A . 40 ALA H 1 1
1 597 1 1 40 ALA HA H 8.881 -2.459 7.503 1.00 . A A . 40 ALA HA 1 1
1 598 1 1 40 ALA HB1 H 7.570 -1.920 4.811 1.00 . A A . 40 ALA HB1 1 1
1 599 1 1 40 ALA HB2 H 7.366 -3.351 5.871 1.00 . A A . 40 ALA HB2 1 1
1 600 1 1 40 ALA HB3 H 6.723 -1.785 6.359 1.00 . A A . 40 ALA HB3 1 1
1 601 1 1 40 ALA N N 8.943 -0.534 6.719 1.00 . A A . 40 ALA N 1 1
1 602 1 1 40 ALA O O 10.515 -3.606 5.937 1.00 . A A . 40 ALA O 1 1
1 603 1 1 41 GLN C C 12.955 -2.119 4.865 1.00 . A A . 41 GLN C 1 1
1 604 1 1 41 GLN CA C 11.711 -2.088 3.963 1.00 . A A . 41 GLN CA 1 1
1 605 1 1 41 GLN CB C 11.907 -1.100 2.801 1.00 . A A . 41 GLN CB 1 1
1 606 1 1 41 GLN CD C 13.679 -0.741 1.016 1.00 . A A . 41 GLN CD 1 1
1 607 1 1 41 GLN CG C 12.685 -1.725 1.632 1.00 . A A . 41 GLN CG 1 1
1 608 1 1 41 GLN H H 10.082 -0.828 4.538 1.00 . A A . 41 GLN H 1 1
1 609 1 1 41 GLN HA H 11.549 -3.088 3.560 1.00 . A A . 41 GLN HA 1 1
1 610 1 1 41 GLN HB2 H 10.937 -0.781 2.420 1.00 . A A . 41 GLN HB2 1 1
1 611 1 1 41 GLN HB3 H 12.430 -0.217 3.172 1.00 . A A . 41 GLN HB3 1 1
1 612 1 1 41 GLN HE21 H 12.589 -0.491 -0.696 1.00 . A A . 41 GLN HE21 1 1
1 613 1 1 41 GLN HE22 H 13.995 0.532 -0.473 1.00 . A A . 41 GLN HE22 1 1
1 614 1 1 41 GLN HG2 H 13.237 -2.598 1.979 1.00 . A A . 41 GLN HG2 1 1
1 615 1 1 41 GLN HG3 H 11.973 -2.057 0.874 1.00 . A A . 41 GLN HG3 1 1
1 616 1 1 41 GLN N N 10.530 -1.715 4.734 1.00 . A A . 41 GLN N 1 1
1 617 1 1 41 GLN NE2 N 13.437 -0.260 -0.198 1.00 . A A . 41 GLN NE2 1 1
1 618 1 1 41 GLN O O 13.956 -2.744 4.525 1.00 . A A . 41 GLN O 1 1
1 619 1 1 41 GLN OE1 O 14.700 -0.413 1.603 1.00 . A A . 41 GLN OE1 1 1
1 620 1 1 42 LYS C C 13.583 -2.381 8.209 1.00 . A A . 42 LYS C 1 1
1 621 1 1 42 LYS CA C 13.918 -1.439 7.057 1.00 . A A . 42 LYS CA 1 1
1 622 1 1 42 LYS CB C 14.069 0.014 7.525 1.00 . A A . 42 LYS CB 1 1
1 623 1 1 42 LYS CD C 16.297 1.093 7.037 1.00 . A A . 42 LYS CD 1 1
1 624 1 1 42 LYS CE C 16.232 2.447 7.746 1.00 . A A . 42 LYS CE 1 1
1 625 1 1 42 LYS CG C 14.903 0.773 6.491 1.00 . A A . 42 LYS CG 1 1
1 626 1 1 42 LYS H H 12.038 -0.965 6.260 1.00 . A A . 42 LYS H 1 1
1 627 1 1 42 LYS HA H 14.862 -1.786 6.634 1.00 . A A . 42 LYS HA 1 1
1 628 1 1 42 LYS HB2 H 13.090 0.483 7.621 1.00 . A A . 42 LYS HB2 1 1
1 629 1 1 42 LYS HB3 H 14.549 0.061 8.501 1.00 . A A . 42 LYS HB3 1 1
1 630 1 1 42 LYS HD2 H 16.636 0.310 7.720 1.00 . A A . 42 LYS HD2 1 1
1 631 1 1 42 LYS HD3 H 16.992 1.149 6.198 1.00 . A A . 42 LYS HD3 1 1
1 632 1 1 42 LYS HE2 H 15.692 3.140 7.098 1.00 . A A . 42 LYS HE2 1 1
1 633 1 1 42 LYS HE3 H 15.670 2.345 8.678 1.00 . A A . 42 LYS HE3 1 1
1 634 1 1 42 LYS HG2 H 15.008 0.175 5.585 1.00 . A A . 42 LYS HG2 1 1
1 635 1 1 42 LYS HG3 H 14.394 1.698 6.220 1.00 . A A . 42 LYS HG3 1 1
1 636 1 1 42 LYS HZ1 H 18.037 2.447 8.733 1.00 . A A . 42 LYS HZ1 1 1
1 637 1 1 42 LYS HZ2 H 18.134 2.958 7.169 1.00 . A A . 42 LYS HZ2 1 1
1 638 1 1 42 LYS HZ3 H 17.505 3.951 8.319 1.00 . A A . 42 LYS HZ3 1 1
1 639 1 1 42 LYS N N 12.884 -1.474 6.032 1.00 . A A . 42 LYS N 1 1
1 640 1 1 42 LYS NZ N 17.579 2.989 8.014 1.00 . A A . 42 LYS NZ 1 1
1 641 1 1 42 LYS O O 14.068 -2.180 9.321 1.00 . A A . 42 LYS O 1 1
1 642 1 1 43 ALA C C 12.888 -5.764 8.486 1.00 . A A . 43 ALA C 1 1
1 643 1 1 43 ALA CA C 12.428 -4.389 8.971 1.00 . A A . 43 ALA CA 1 1
1 644 1 1 43 ALA CB C 10.923 -4.311 9.217 1.00 . A A . 43 ALA CB 1 1
1 645 1 1 43 ALA H H 12.439 -3.609 7.031 1.00 . A A . 43 ALA H 1 1
1 646 1 1 43 ALA HA H 12.945 -4.153 9.900 1.00 . A A . 43 ALA HA 1 1
1 647 1 1 43 ALA HB1 H 10.598 -3.271 9.192 1.00 . A A . 43 ALA HB1 1 1
1 648 1 1 43 ALA HB2 H 10.393 -4.865 8.441 1.00 . A A . 43 ALA HB2 1 1
1 649 1 1 43 ALA HB3 H 10.699 -4.708 10.203 1.00 . A A . 43 ALA HB3 1 1
1 650 1 1 43 ALA N N 12.772 -3.409 7.964 1.00 . A A . 43 ALA N 1 1
1 651 1 1 43 ALA O O 13.261 -5.908 7.326 1.00 . A A . 43 ALA O 1 1
1 652 1 1 44 THR C C 12.072 -9.060 9.146 1.00 . A A . 44 THR C 1 1
1 653 1 1 44 THR CA C 13.284 -8.129 9.019 1.00 . A A . 44 THR CA 1 1
1 654 1 1 44 THR CB C 14.470 -8.533 9.898 1.00 . A A . 44 THR CB 1 1
1 655 1 1 44 THR CG2 C 14.951 -9.953 9.607 1.00 . A A . 44 THR CG2 1 1
1 656 1 1 44 THR H H 12.514 -6.617 10.286 1.00 . A A . 44 THR H 1 1
1 657 1 1 44 THR HA H 13.645 -8.139 7.992 1.00 . A A . 44 THR HA 1 1
1 658 1 1 44 THR HB H 14.192 -8.451 10.949 1.00 . A A . 44 THR HB 1 1
1 659 1 1 44 THR HG1 H 15.768 -7.186 10.433 1.00 . A A . 44 THR HG1 1 1
1 660 1 1 44 THR HG21 H 15.288 -10.034 8.573 1.00 . A A . 44 THR HG21 1 1
1 661 1 1 44 THR HG22 H 15.777 -10.200 10.275 1.00 . A A . 44 THR HG22 1 1
1 662 1 1 44 THR HG23 H 14.138 -10.656 9.778 1.00 . A A . 44 THR HG23 1 1
1 663 1 1 44 THR N N 12.879 -6.769 9.360 1.00 . A A . 44 THR N 1 1
1 664 1 1 44 THR O O 11.501 -9.158 10.228 1.00 . A A . 44 THR O 1 1
1 665 1 1 44 THR OG1 O 15.538 -7.649 9.625 1.00 . A A . 44 THR OG1 1 1
1 666 1 1 45 PRO C C 10.675 -11.895 8.642 1.00 . A A . 45 PRO C 1 1
1 667 1 1 45 PRO CA C 10.421 -10.511 8.034 1.00 . A A . 45 PRO CA 1 1
1 668 1 1 45 PRO CB C 10.058 -10.616 6.549 1.00 . A A . 45 PRO CB 1 1
1 669 1 1 45 PRO CD C 12.187 -9.581 6.732 1.00 . A A . 45 PRO CD 1 1
1 670 1 1 45 PRO CG C 11.406 -10.544 5.845 1.00 . A A . 45 PRO CG 1 1
1 671 1 1 45 PRO HA H 9.631 -9.988 8.569 1.00 . A A . 45 PRO HA 1 1
1 672 1 1 45 PRO HB2 H 9.524 -11.537 6.310 1.00 . A A . 45 PRO HB2 1 1
1 673 1 1 45 PRO HB3 H 9.479 -9.742 6.253 1.00 . A A . 45 PRO HB3 1 1
1 674 1 1 45 PRO HD2 H 13.246 -9.841 6.726 1.00 . A A . 45 PRO HD2 1 1
1 675 1 1 45 PRO HD3 H 12.022 -8.559 6.401 1.00 . A A . 45 PRO HD3 1 1
1 676 1 1 45 PRO HG2 H 11.889 -11.518 5.854 1.00 . A A . 45 PRO HG2 1 1
1 677 1 1 45 PRO HG3 H 11.302 -10.172 4.827 1.00 . A A . 45 PRO HG3 1 1
1 678 1 1 45 PRO N N 11.629 -9.706 8.058 1.00 . A A . 45 PRO N 1 1
1 679 1 1 45 PRO O O 11.577 -12.601 8.195 1.00 . A A . 45 PRO O 1 1
1 680 1 1 46 PRO C C 9.916 -14.813 9.330 1.00 . A A . 46 PRO C 1 1
1 681 1 1 46 PRO CA C 10.030 -13.618 10.280 1.00 . A A . 46 PRO CA 1 1
1 682 1 1 46 PRO CB C 8.957 -13.648 11.372 1.00 . A A . 46 PRO CB 1 1
1 683 1 1 46 PRO CD C 8.662 -11.663 10.080 1.00 . A A . 46 PRO CD 1 1
1 684 1 1 46 PRO CG C 7.866 -12.723 10.835 1.00 . A A . 46 PRO CG 1 1
1 685 1 1 46 PRO HA H 11.010 -13.639 10.754 1.00 . A A . 46 PRO HA 1 1
1 686 1 1 46 PRO HB2 H 8.581 -14.655 11.555 1.00 . A A . 46 PRO HB2 1 1
1 687 1 1 46 PRO HB3 H 9.367 -13.223 12.290 1.00 . A A . 46 PRO HB3 1 1
1 688 1 1 46 PRO HD2 H 8.067 -11.264 9.262 1.00 . A A . 46 PRO HD2 1 1
1 689 1 1 46 PRO HD3 H 8.964 -10.864 10.757 1.00 . A A . 46 PRO HD3 1 1
1 690 1 1 46 PRO HG2 H 7.231 -13.270 10.137 1.00 . A A . 46 PRO HG2 1 1
1 691 1 1 46 PRO HG3 H 7.269 -12.285 11.636 1.00 . A A . 46 PRO HG3 1 1
1 692 1 1 46 PRO N N 9.840 -12.349 9.588 1.00 . A A . 46 PRO N 1 1
1 693 1 1 46 PRO O O 10.579 -15.829 9.525 1.00 . A A . 46 PRO O 1 1
1 694 1 1 47 LYS C C 10.355 -16.102 6.635 1.00 . A A . 47 LYS C 1 1
1 695 1 1 47 LYS CA C 9.000 -15.720 7.227 1.00 . A A . 47 LYS CA 1 1
1 696 1 1 47 LYS CB C 8.078 -15.220 6.129 1.00 . A A . 47 LYS CB 1 1
1 697 1 1 47 LYS CD C 7.466 -17.692 5.488 1.00 . A A . 47 LYS CD 1 1
1 698 1 1 47 LYS CE C 6.773 -18.437 4.335 1.00 . A A . 47 LYS CE 1 1
1 699 1 1 47 LYS CG C 7.861 -16.282 5.040 1.00 . A A . 47 LYS CG 1 1
1 700 1 1 47 LYS H H 8.630 -13.817 8.135 1.00 . A A . 47 LYS H 1 1
1 701 1 1 47 LYS HA H 8.514 -16.598 7.644 1.00 . A A . 47 LYS HA 1 1
1 702 1 1 47 LYS HB2 H 7.119 -14.951 6.574 1.00 . A A . 47 LYS HB2 1 1
1 703 1 1 47 LYS HB3 H 8.513 -14.325 5.679 1.00 . A A . 47 LYS HB3 1 1
1 704 1 1 47 LYS HD2 H 8.355 -18.250 5.775 1.00 . A A . 47 LYS HD2 1 1
1 705 1 1 47 LYS HD3 H 6.787 -17.634 6.340 1.00 . A A . 47 LYS HD3 1 1
1 706 1 1 47 LYS HE2 H 7.451 -18.489 3.479 1.00 . A A . 47 LYS HE2 1 1
1 707 1 1 47 LYS HE3 H 6.534 -19.448 4.663 1.00 . A A . 47 LYS HE3 1 1
1 708 1 1 47 LYS HG2 H 7.036 -15.943 4.455 1.00 . A A . 47 LYS HG2 1 1
1 709 1 1 47 LYS HG3 H 8.730 -16.330 4.384 1.00 . A A . 47 LYS HG3 1 1
1 710 1 1 47 LYS HZ1 H 5.675 -17.282 3.044 1.00 . A A . 47 LYS HZ1 1 1
1 711 1 1 47 LYS HZ2 H 4.763 -18.404 3.731 1.00 . A A . 47 LYS HZ2 1 1
1 712 1 1 47 LYS HZ3 H 5.204 -17.122 4.616 1.00 . A A . 47 LYS HZ3 1 1
1 713 1 1 47 LYS N N 9.133 -14.683 8.251 1.00 . A A . 47 LYS N 1 1
1 714 1 1 47 LYS NZ N 5.528 -17.770 3.912 1.00 . A A . 47 LYS NZ 1 1
1 715 1 1 47 LYS O O 10.534 -17.215 6.148 1.00 . A A . 47 LYS O 1 1
1 716 1 1 48 LEU C C 13.658 -14.953 7.129 1.00 . A A . 48 LEU C 1 1
1 717 1 1 48 LEU CA C 12.618 -15.350 6.084 1.00 . A A . 48 LEU CA 1 1
1 718 1 1 48 LEU CB C 12.739 -14.492 4.825 1.00 . A A . 48 LEU CB 1 1
1 719 1 1 48 LEU CD1 C 12.174 -13.821 2.549 1.00 . A A . 48 LEU CD1 1 1
1 720 1 1 48 LEU CD2 C 12.269 -16.287 3.017 1.00 . A A . 48 LEU CD2 1 1
1 721 1 1 48 LEU CG C 11.916 -14.910 3.599 1.00 . A A . 48 LEU CG 1 1
1 722 1 1 48 LEU H H 11.140 -14.262 7.052 1.00 . A A . 48 LEU H 1 1
1 723 1 1 48 LEU HA H 12.789 -16.397 5.835 1.00 . A A . 48 LEU HA 1 1
1 724 1 1 48 LEU HB2 H 12.475 -13.469 5.080 1.00 . A A . 48 LEU HB2 1 1
1 725 1 1 48 LEU HB3 H 13.777 -14.481 4.547 1.00 . A A . 48 LEU HB3 1 1
1 726 1 1 48 LEU HD11 H 13.181 -13.428 2.640 1.00 . A A . 48 LEU HD11 1 1
1 727 1 1 48 LEU HD12 H 12.090 -14.216 1.546 1.00 . A A . 48 LEU HD12 1 1
1 728 1 1 48 LEU HD13 H 11.472 -13.000 2.689 1.00 . A A . 48 LEU HD13 1 1
1 729 1 1 48 LEU HD21 H 12.352 -17.030 3.810 1.00 . A A . 48 LEU HD21 1 1
1 730 1 1 48 LEU HD22 H 11.476 -16.616 2.348 1.00 . A A . 48 LEU HD22 1 1
1 731 1 1 48 LEU HD23 H 13.193 -16.229 2.446 1.00 . A A . 48 LEU HD23 1 1
1 732 1 1 48 LEU HG H 10.858 -14.915 3.861 1.00 . A A . 48 LEU HG 1 1
1 733 1 1 48 LEU N N 11.303 -15.170 6.642 1.00 . A A . 48 LEU N 1 1
1 734 1 1 48 LEU O O 14.723 -14.467 6.777 1.00 . A A . 48 LEU O 1 1
1 735 1 1 49 GLU C C 15.479 -15.892 9.423 1.00 . A A . 49 GLU C 1 1
1 736 1 1 49 GLU CA C 14.417 -14.798 9.397 1.00 . A A . 49 GLU CA 1 1
1 737 1 1 49 GLU CB C 13.831 -14.597 10.794 1.00 . A A . 49 GLU CB 1 1
1 738 1 1 49 GLU CD C 13.840 -12.889 12.656 1.00 . A A . 49 GLU CD 1 1
1 739 1 1 49 GLU CG C 13.825 -13.105 11.146 1.00 . A A . 49 GLU CG 1 1
1 740 1 1 49 GLU H H 12.489 -15.482 8.729 1.00 . A A . 49 GLU H 1 1
1 741 1 1 49 GLU HA H 14.907 -13.878 9.088 1.00 . A A . 49 GLU HA 1 1
1 742 1 1 49 GLU HB2 H 12.824 -15.002 10.837 1.00 . A A . 49 GLU HB2 1 1
1 743 1 1 49 GLU HB3 H 14.447 -15.133 11.515 1.00 . A A . 49 GLU HB3 1 1
1 744 1 1 49 GLU HG2 H 14.720 -12.634 10.739 1.00 . A A . 49 GLU HG2 1 1
1 745 1 1 49 GLU HG3 H 12.954 -12.626 10.697 1.00 . A A . 49 GLU HG3 1 1
1 746 1 1 49 GLU N N 13.381 -15.118 8.422 1.00 . A A . 49 GLU N 1 1
1 747 1 1 49 GLU O O 16.670 -15.603 9.405 1.00 . A A . 49 GLU O 1 1
1 748 1 1 49 GLU OE1 O 14.875 -13.234 13.267 1.00 . A A . 49 GLU OE1 1 1
1 749 1 1 49 GLU OE2 O 12.826 -12.374 13.175 1.00 . A A . 49 GLU OE2 1 1
1 750 1 1 50 ASP C C 16.634 -18.516 8.033 1.00 . A A . 50 ASP C 1 1
1 751 1 1 50 ASP CA C 15.960 -18.315 9.391 1.00 . A A . 50 ASP CA 1 1
1 752 1 1 50 ASP CB C 15.172 -19.568 9.766 1.00 . A A . 50 ASP CB 1 1
1 753 1 1 50 ASP CG C 16.094 -20.759 10.034 1.00 . A A . 50 ASP CG 1 1
1 754 1 1 50 ASP H H 14.064 -17.332 9.361 1.00 . A A . 50 ASP H 1 1
1 755 1 1 50 ASP HA H 16.736 -18.158 10.138 1.00 . A A . 50 ASP HA 1 1
1 756 1 1 50 ASP HB2 H 14.593 -19.367 10.668 1.00 . A A . 50 ASP HB2 1 1
1 757 1 1 50 ASP HB3 H 14.483 -19.804 8.955 1.00 . A A . 50 ASP HB3 1 1
1 758 1 1 50 ASP N N 15.057 -17.158 9.387 1.00 . A A . 50 ASP N 1 1
1 759 1 1 50 ASP O O 17.229 -19.551 7.741 1.00 . A A . 50 ASP O 1 1
1 760 1 1 50 ASP OD1 O 16.973 -20.602 10.911 1.00 . A A . 50 ASP OD1 1 1
1 761 1 1 50 ASP OD2 O 15.869 -21.819 9.406 1.00 . A A . 50 ASP OD2 1 1
1 762 1 1 51 LYS C C 18.578 -17.639 5.896 1.00 . A A . 51 LYS C 1 1
1 763 1 1 51 LYS CA C 17.069 -17.691 5.819 1.00 . A A . 51 LYS CA 1 1
1 764 1 1 51 LYS CB C 16.549 -16.556 4.950 1.00 . A A . 51 LYS CB 1 1
1 765 1 1 51 LYS CD C 15.985 -17.203 2.621 1.00 . A A . 51 LYS CD 1 1
1 766 1 1 51 LYS CE C 15.152 -18.188 1.809 1.00 . A A . 51 LYS CE 1 1
1 767 1 1 51 LYS CG C 15.440 -17.068 4.042 1.00 . A A . 51 LYS CG 1 1
1 768 1 1 51 LYS H H 16.108 -16.662 7.405 1.00 . A A . 51 LYS H 1 1
1 769 1 1 51 LYS HA H 16.793 -18.663 5.415 1.00 . A A . 51 LYS HA 1 1
1 770 1 1 51 LYS HB2 H 16.184 -15.752 5.574 1.00 . A A . 51 LYS HB2 1 1
1 771 1 1 51 LYS HB3 H 17.354 -16.133 4.361 1.00 . A A . 51 LYS HB3 1 1
1 772 1 1 51 LYS HD2 H 15.964 -16.223 2.144 1.00 . A A . 51 LYS HD2 1 1
1 773 1 1 51 LYS HD3 H 17.017 -17.551 2.654 1.00 . A A . 51 LYS HD3 1 1
1 774 1 1 51 LYS HE2 H 14.153 -18.256 2.246 1.00 . A A . 51 LYS HE2 1 1
1 775 1 1 51 LYS HE3 H 15.067 -17.814 0.784 1.00 . A A . 51 LYS HE3 1 1
1 776 1 1 51 LYS HG2 H 15.048 -18.018 4.404 1.00 . A A . 51 LYS HG2 1 1
1 777 1 1 51 LYS HG3 H 14.635 -16.350 4.049 1.00 . A A . 51 LYS HG3 1 1
1 778 1 1 51 LYS HZ1 H 16.735 -19.429 1.436 1.00 . A A . 51 LYS HZ1 1 1
1 779 1 1 51 LYS HZ2 H 15.826 -19.903 2.729 1.00 . A A . 51 LYS HZ2 1 1
1 780 1 1 51 LYS HZ3 H 15.276 -20.139 1.188 1.00 . A A . 51 LYS HZ3 1 1
1 781 1 1 51 LYS N N 16.492 -17.553 7.130 1.00 . A A . 51 LYS N 1 1
1 782 1 1 51 LYS NZ N 15.793 -19.518 1.794 1.00 . A A . 51 LYS NZ 1 1
1 783 1 1 51 LYS O O 19.179 -17.277 6.905 1.00 . A A . 51 LYS O 1 1
1 784 1 1 52 SER C C 20.798 -16.145 4.901 1.00 . A A . 52 SER C 1 1
1 785 1 1 52 SER CA C 20.587 -17.624 4.573 1.00 . A A . 52 SER CA 1 1
1 786 1 1 52 SER CB C 21.022 -17.970 3.144 1.00 . A A . 52 SER CB 1 1
1 787 1 1 52 SER H H 18.666 -18.198 3.938 1.00 . A A . 52 SER H 1 1
1 788 1 1 52 SER HA H 21.152 -18.230 5.279 1.00 . A A . 52 SER HA 1 1
1 789 1 1 52 SER HB2 H 21.635 -17.163 2.739 1.00 . A A . 52 SER HB2 1 1
1 790 1 1 52 SER HB3 H 21.610 -18.886 3.166 1.00 . A A . 52 SER HB3 1 1
1 791 1 1 52 SER HG H 20.241 -18.342 1.409 1.00 . A A . 52 SER HG 1 1
1 792 1 1 52 SER N N 19.192 -17.934 4.755 1.00 . A A . 52 SER N 1 1
1 793 1 1 52 SER O O 19.923 -15.321 4.650 1.00 . A A . 52 SER O 1 1
1 794 1 1 52 SER OG O 19.907 -18.177 2.297 1.00 . A A . 52 SER OG 1 1
1 795 1 1 53 PRO C C 22.151 -13.476 4.714 1.00 . A A . 53 PRO C 1 1
1 796 1 1 53 PRO CA C 22.284 -14.457 5.866 1.00 . A A . 53 PRO CA 1 1
1 797 1 1 53 PRO CB C 23.736 -14.544 6.353 1.00 . A A . 53 PRO CB 1 1
1 798 1 1 53 PRO CD C 23.119 -16.683 5.435 1.00 . A A . 53 PRO CD 1 1
1 799 1 1 53 PRO CG C 24.322 -15.779 5.656 1.00 . A A . 53 PRO CG 1 1
1 800 1 1 53 PRO HA H 21.616 -14.165 6.677 1.00 . A A . 53 PRO HA 1 1
1 801 1 1 53 PRO HB2 H 24.301 -13.647 6.098 1.00 . A A . 53 PRO HB2 1 1
1 802 1 1 53 PRO HB3 H 23.742 -14.704 7.431 1.00 . A A . 53 PRO HB3 1 1
1 803 1 1 53 PRO HD2 H 23.223 -17.222 4.492 1.00 . A A . 53 PRO HD2 1 1
1 804 1 1 53 PRO HD3 H 23.006 -17.382 6.264 1.00 . A A . 53 PRO HD3 1 1
1 805 1 1 53 PRO HG2 H 24.746 -15.502 4.689 1.00 . A A . 53 PRO HG2 1 1
1 806 1 1 53 PRO HG3 H 25.075 -16.275 6.266 1.00 . A A . 53 PRO HG3 1 1
1 807 1 1 53 PRO N N 21.981 -15.796 5.396 1.00 . A A . 53 PRO N 1 1
1 808 1 1 53 PRO O O 21.505 -12.436 4.800 1.00 . A A . 53 PRO O 1 1
1 809 1 1 54 ASP C C 22.128 -13.785 1.335 1.00 . A A . 54 ASP C 1 1
1 810 1 1 54 ASP CA C 22.941 -13.077 2.417 1.00 . A A . 54 ASP CA 1 1
1 811 1 1 54 ASP CB C 24.454 -12.985 2.121 1.00 . A A . 54 ASP CB 1 1
1 812 1 1 54 ASP CG C 24.941 -11.572 1.766 1.00 . A A . 54 ASP CG 1 1
1 813 1 1 54 ASP H H 23.245 -14.753 3.620 1.00 . A A . 54 ASP H 1 1
1 814 1 1 54 ASP HA H 22.541 -12.074 2.574 1.00 . A A . 54 ASP HA 1 1
1 815 1 1 54 ASP HB2 H 25.005 -13.311 3.007 1.00 . A A . 54 ASP HB2 1 1
1 816 1 1 54 ASP HB3 H 24.738 -13.678 1.327 1.00 . A A . 54 ASP HB3 1 1
1 817 1 1 54 ASP N N 22.775 -13.865 3.612 1.00 . A A . 54 ASP N 1 1
1 818 1 1 54 ASP O O 22.574 -13.879 0.193 1.00 . A A . 54 ASP O 1 1
1 819 1 1 54 ASP OD1 O 24.125 -10.722 1.327 1.00 . A A . 54 ASP OD1 1 1
1 820 1 1 54 ASP OD2 O 26.155 -11.347 1.960 1.00 . A A . 54 ASP OD2 1 1
1 821 1 1 55 SER C C 19.843 -13.969 -0.381 1.00 . A A . 55 SER C 1 1
1 822 1 1 55 SER CA C 20.219 -15.042 0.616 1.00 . A A . 55 SER CA 1 1
1 823 1 1 55 SER CB C 18.912 -15.742 1.005 1.00 . A A . 55 SER CB 1 1
1 824 1 1 55 SER H H 20.559 -14.244 2.596 1.00 . A A . 55 SER H 1 1
1 825 1 1 55 SER HA H 20.885 -15.779 0.175 1.00 . A A . 55 SER HA 1 1
1 826 1 1 55 SER HB2 H 18.089 -15.333 0.419 1.00 . A A . 55 SER HB2 1 1
1 827 1 1 55 SER HB3 H 18.966 -16.790 0.726 1.00 . A A . 55 SER HB3 1 1
1 828 1 1 55 SER HG H 19.262 -16.011 2.903 1.00 . A A . 55 SER HG 1 1
1 829 1 1 55 SER N N 20.970 -14.386 1.680 1.00 . A A . 55 SER N 1 1
1 830 1 1 55 SER O O 19.174 -13.013 -0.004 1.00 . A A . 55 SER O 1 1
1 831 1 1 55 SER OG O 18.583 -15.604 2.357 1.00 . A A . 55 SER OG 1 1
1 832 1 1 56 PRO C C 18.477 -12.779 -2.895 1.00 . A A . 56 PRO C 1 1
1 833 1 1 56 PRO CA C 19.950 -13.189 -2.710 1.00 . A A . 56 PRO CA 1 1
1 834 1 1 56 PRO CB C 20.540 -13.862 -3.956 1.00 . A A . 56 PRO CB 1 1
1 835 1 1 56 PRO CD C 20.689 -15.414 -2.170 1.00 . A A . 56 PRO CD 1 1
1 836 1 1 56 PRO CG C 20.418 -15.359 -3.662 1.00 . A A . 56 PRO CG 1 1
1 837 1 1 56 PRO HA H 20.534 -12.297 -2.477 1.00 . A A . 56 PRO HA 1 1
1 838 1 1 56 PRO HB2 H 20.008 -13.588 -4.867 1.00 . A A . 56 PRO HB2 1 1
1 839 1 1 56 PRO HB3 H 21.598 -13.606 -4.037 1.00 . A A . 56 PRO HB3 1 1
1 840 1 1 56 PRO HD2 H 20.189 -16.280 -1.734 1.00 . A A . 56 PRO HD2 1 1
1 841 1 1 56 PRO HD3 H 21.763 -15.449 -1.974 1.00 . A A . 56 PRO HD3 1 1
1 842 1 1 56 PRO HG2 H 19.396 -15.692 -3.848 1.00 . A A . 56 PRO HG2 1 1
1 843 1 1 56 PRO HG3 H 21.136 -15.959 -4.220 1.00 . A A . 56 PRO HG3 1 1
1 844 1 1 56 PRO N N 20.146 -14.174 -1.659 1.00 . A A . 56 PRO N 1 1
1 845 1 1 56 PRO O O 18.189 -11.847 -3.631 1.00 . A A . 56 PRO O 1 1
1 846 1 1 57 GLU C C 15.595 -12.467 -1.078 1.00 . A A . 57 GLU C 1 1
1 847 1 1 57 GLU CA C 16.098 -13.272 -2.242 1.00 . A A . 57 GLU CA 1 1
1 848 1 1 57 GLU CB C 15.469 -14.624 -1.926 1.00 . A A . 57 GLU CB 1 1
1 849 1 1 57 GLU CD C 14.904 -16.848 -2.916 1.00 . A A . 57 GLU CD 1 1
1 850 1 1 57 GLU CG C 15.153 -15.366 -3.203 1.00 . A A . 57 GLU CG 1 1
1 851 1 1 57 GLU H H 17.879 -14.178 -1.607 1.00 . A A . 57 GLU H 1 1
1 852 1 1 57 GLU HA H 15.746 -12.848 -3.184 1.00 . A A . 57 GLU HA 1 1
1 853 1 1 57 GLU HB2 H 16.168 -15.176 -1.294 1.00 . A A . 57 GLU HB2 1 1
1 854 1 1 57 GLU HB3 H 14.535 -14.513 -1.367 1.00 . A A . 57 GLU HB3 1 1
1 855 1 1 57 GLU HG2 H 14.260 -14.903 -3.631 1.00 . A A . 57 GLU HG2 1 1
1 856 1 1 57 GLU HG3 H 15.982 -15.243 -3.901 1.00 . A A . 57 GLU HG3 1 1
1 857 1 1 57 GLU N N 17.546 -13.460 -2.222 1.00 . A A . 57 GLU N 1 1
1 858 1 1 57 GLU O O 14.592 -11.789 -1.172 1.00 . A A . 57 GLU O 1 1
1 859 1 1 57 GLU OE1 O 15.298 -17.319 -1.819 1.00 . A A . 57 GLU OE1 1 1
1 860 1 1 57 GLU OE2 O 14.320 -17.497 -3.807 1.00 . A A . 57 GLU OE2 1 1
1 861 1 1 58 MET C C 16.403 -10.770 1.399 1.00 . A A . 58 MET C 1 1
1 862 1 1 58 MET CA C 15.902 -12.187 1.373 1.00 . A A . 58 MET CA 1 1
1 863 1 1 58 MET CB C 16.772 -12.988 2.329 1.00 . A A . 58 MET CB 1 1
1 864 1 1 58 MET CE C 17.162 -11.737 5.170 1.00 . A A . 58 MET CE 1 1
1 865 1 1 58 MET CG C 15.991 -13.509 3.501 1.00 . A A . 58 MET CG 1 1
1 866 1 1 58 MET H H 17.026 -13.306 -0.002 1.00 . A A . 58 MET H 1 1
1 867 1 1 58 MET HA H 14.844 -12.258 1.611 1.00 . A A . 58 MET HA 1 1
1 868 1 1 58 MET HB2 H 17.162 -13.842 1.802 1.00 . A A . 58 MET HB2 1 1
1 869 1 1 58 MET HB3 H 17.613 -12.390 2.669 1.00 . A A . 58 MET HB3 1 1
1 870 1 1 58 MET HE1 H 17.767 -12.633 5.326 1.00 . A A . 58 MET HE1 1 1
1 871 1 1 58 MET HE2 H 17.620 -11.122 4.396 1.00 . A A . 58 MET HE2 1 1
1 872 1 1 58 MET HE3 H 17.106 -11.168 6.095 1.00 . A A . 58 MET HE3 1 1
1 873 1 1 58 MET HG2 H 15.139 -14.050 3.102 1.00 . A A . 58 MET HG2 1 1
1 874 1 1 58 MET HG3 H 16.629 -14.206 4.029 1.00 . A A . 58 MET HG3 1 1
1 875 1 1 58 MET N N 16.208 -12.721 0.063 1.00 . A A . 58 MET N 1 1
1 876 1 1 58 MET O O 15.782 -9.806 1.817 1.00 . A A . 58 MET O 1 1
1 877 1 1 58 MET SD S 15.495 -12.223 4.661 1.00 . A A . 58 MET SD 1 1
1 878 1 1 59 LYS C C 17.421 -8.551 -0.275 1.00 . A A . 59 LYS C 1 1
1 879 1 1 59 LYS CA C 18.253 -9.441 0.624 1.00 . A A . 59 LYS CA 1 1
1 880 1 1 59 LYS CB C 19.528 -9.838 -0.084 1.00 . A A . 59 LYS CB 1 1
1 881 1 1 59 LYS CD C 21.675 -8.803 -0.491 1.00 . A A . 59 LYS CD 1 1
1 882 1 1 59 LYS CE C 22.252 -7.474 -0.062 1.00 . A A . 59 LYS CE 1 1
1 883 1 1 59 LYS CG C 20.500 -8.843 0.445 1.00 . A A . 59 LYS CG 1 1
1 884 1 1 59 LYS H H 17.974 -11.503 0.434 1.00 . A A . 59 LYS H 1 1
1 885 1 1 59 LYS HA H 18.432 -8.959 1.587 1.00 . A A . 59 LYS HA 1 1
1 886 1 1 59 LYS HB2 H 19.889 -10.822 0.201 1.00 . A A . 59 LYS HB2 1 1
1 887 1 1 59 LYS HB3 H 19.404 -9.780 -1.168 1.00 . A A . 59 LYS HB3 1 1
1 888 1 1 59 LYS HD2 H 22.332 -9.651 -0.288 1.00 . A A . 59 LYS HD2 1 1
1 889 1 1 59 LYS HD3 H 21.362 -8.779 -1.538 1.00 . A A . 59 LYS HD3 1 1
1 890 1 1 59 LYS HE2 H 21.809 -6.684 -0.675 1.00 . A A . 59 LYS HE2 1 1
1 891 1 1 59 LYS HE3 H 21.960 -7.302 0.977 1.00 . A A . 59 LYS HE3 1 1
1 892 1 1 59 LYS HG2 H 20.022 -7.863 0.492 1.00 . A A . 59 LYS HG2 1 1
1 893 1 1 59 LYS HG3 H 20.819 -9.153 1.443 1.00 . A A . 59 LYS HG3 1 1
1 894 1 1 59 LYS HZ1 H 23.990 -7.451 -1.112 1.00 . A A . 59 LYS HZ1 1 1
1 895 1 1 59 LYS HZ2 H 24.084 -6.732 0.381 1.00 . A A . 59 LYS HZ2 1 1
1 896 1 1 59 LYS HZ3 H 24.035 -8.384 0.262 1.00 . A A . 59 LYS HZ3 1 1
1 897 1 1 59 LYS N N 17.585 -10.668 0.840 1.00 . A A . 59 LYS N 1 1
1 898 1 1 59 LYS NZ N 23.710 -7.507 -0.144 1.00 . A A . 59 LYS NZ 1 1
1 899 1 1 59 LYS O O 17.414 -7.329 -0.156 1.00 . A A . 59 LYS O 1 1
1 900 1 1 60 ASP C C 14.440 -9.006 -1.864 1.00 . A A . 60 ASP C 1 1
1 901 1 1 60 ASP CA C 15.881 -8.636 -2.179 1.00 . A A . 60 ASP CA 1 1
1 902 1 1 60 ASP CB C 16.330 -9.147 -3.551 1.00 . A A . 60 ASP CB 1 1
1 903 1 1 60 ASP CG C 16.326 -7.993 -4.539 1.00 . A A . 60 ASP CG 1 1
1 904 1 1 60 ASP H H 16.780 -10.223 -1.220 1.00 . A A . 60 ASP H 1 1
1 905 1 1 60 ASP HA H 15.995 -7.550 -2.157 1.00 . A A . 60 ASP HA 1 1
1 906 1 1 60 ASP HB2 H 17.343 -9.538 -3.486 1.00 . A A . 60 ASP HB2 1 1
1 907 1 1 60 ASP HB3 H 15.677 -9.952 -3.898 1.00 . A A . 60 ASP HB3 1 1
1 908 1 1 60 ASP N N 16.716 -9.220 -1.177 1.00 . A A . 60 ASP N 1 1
1 909 1 1 60 ASP O O 13.625 -9.058 -2.772 1.00 . A A . 60 ASP O 1 1
1 910 1 1 60 ASP OD1 O 15.212 -7.563 -4.896 1.00 . A A . 60 ASP OD1 1 1
1 911 1 1 60 ASP OD2 O 17.430 -7.521 -4.884 1.00 . A A . 60 ASP OD2 1 1
1 912 1 1 61 PHE C C 11.890 -8.320 -0.543 1.00 . A A . 61 PHE C 1 1
1 913 1 1 61 PHE CA C 12.669 -9.606 -0.315 1.00 . A A . 61 PHE CA 1 1
1 914 1 1 61 PHE CB C 12.433 -10.193 1.090 1.00 . A A . 61 PHE CB 1 1
1 915 1 1 61 PHE CD1 C 11.774 -8.104 2.427 1.00 . A A . 61 PHE CD1 1 1
1 916 1 1 61 PHE CD2 C 13.503 -9.554 3.295 1.00 . A A . 61 PHE CD2 1 1
1 917 1 1 61 PHE CE1 C 12.045 -7.192 3.456 1.00 . A A . 61 PHE CE1 1 1
1 918 1 1 61 PHE CE2 C 13.769 -8.645 4.329 1.00 . A A . 61 PHE CE2 1 1
1 919 1 1 61 PHE CG C 12.570 -9.258 2.287 1.00 . A A . 61 PHE CG 1 1
1 920 1 1 61 PHE CZ C 13.048 -7.448 4.395 1.00 . A A . 61 PHE CZ 1 1
1 921 1 1 61 PHE H H 14.799 -9.427 0.107 1.00 . A A . 61 PHE H 1 1
1 922 1 1 61 PHE HA H 12.334 -10.341 -1.047 1.00 . A A . 61 PHE HA 1 1
1 923 1 1 61 PHE HB2 H 11.431 -10.619 1.112 1.00 . A A . 61 PHE HB2 1 1
1 924 1 1 61 PHE HB3 H 13.129 -11.021 1.208 1.00 . A A . 61 PHE HB3 1 1
1 925 1 1 61 PHE HD1 H 10.973 -7.879 1.740 1.00 . A A . 61 PHE HD1 1 1
1 926 1 1 61 PHE HD2 H 14.061 -10.471 3.252 1.00 . A A . 61 PHE HD2 1 1
1 927 1 1 61 PHE HE1 H 11.514 -6.267 3.528 1.00 . A A . 61 PHE HE1 1 1
1 928 1 1 61 PHE HE2 H 14.527 -8.865 5.068 1.00 . A A . 61 PHE HE2 1 1
1 929 1 1 61 PHE HZ H 13.238 -6.734 5.177 1.00 . A A . 61 PHE HZ 1 1
1 930 1 1 61 PHE N N 14.085 -9.317 -0.603 1.00 . A A . 61 PHE N 1 1
1 931 1 1 61 PHE O O 10.736 -8.302 -0.972 1.00 . A A . 61 PHE O 1 1
1 932 1 1 62 ARG C C 11.824 -5.859 -2.302 1.00 . A A . 62 ARG C 1 1
1 933 1 1 62 ARG CA C 12.513 -5.921 -0.935 1.00 . A A . 62 ARG CA 1 1
1 934 1 1 62 ARG CB C 13.944 -5.437 -1.128 1.00 . A A . 62 ARG CB 1 1
1 935 1 1 62 ARG CD C 15.108 -3.548 -2.067 1.00 . A A . 62 ARG CD 1 1
1 936 1 1 62 ARG CG C 14.014 -3.918 -1.086 1.00 . A A . 62 ARG CG 1 1
1 937 1 1 62 ARG CZ C 16.458 -1.613 -2.681 1.00 . A A . 62 ARG CZ 1 1
1 938 1 1 62 ARG H H 13.497 -7.446 0.160 1.00 . A A . 62 ARG H 1 1
1 939 1 1 62 ARG HA H 11.992 -5.259 -0.247 1.00 . A A . 62 ARG HA 1 1
1 940 1 1 62 ARG HB2 H 14.606 -5.828 -0.354 1.00 . A A . 62 ARG HB2 1 1
1 941 1 1 62 ARG HB3 H 14.306 -5.808 -2.091 1.00 . A A . 62 ARG HB3 1 1
1 942 1 1 62 ARG HD2 H 15.969 -4.198 -1.900 1.00 . A A . 62 ARG HD2 1 1
1 943 1 1 62 ARG HD3 H 14.727 -3.702 -3.079 1.00 . A A . 62 ARG HD3 1 1
1 944 1 1 62 ARG HE H 15.086 -1.640 -1.153 1.00 . A A . 62 ARG HE 1 1
1 945 1 1 62 ARG HG2 H 13.076 -3.459 -1.396 1.00 . A A . 62 ARG HG2 1 1
1 946 1 1 62 ARG HG3 H 14.272 -3.600 -0.075 1.00 . A A . 62 ARG HG3 1 1
1 947 1 1 62 ARG HH11 H 16.630 -3.254 -3.869 1.00 . A A . 62 ARG HH11 1 1
1 948 1 1 62 ARG HH12 H 17.666 -1.954 -4.320 1.00 . A A . 62 ARG HH12 1 1
1 949 1 1 62 ARG HH21 H 16.507 0.139 -1.649 1.00 . A A . 62 ARG HH21 1 1
1 950 1 1 62 ARG HH22 H 17.557 0.078 -3.024 1.00 . A A . 62 ARG HH22 1 1
1 951 1 1 62 ARG N N 12.631 -7.234 -0.335 1.00 . A A . 62 ARG N 1 1
1 952 1 1 62 ARG NE N 15.527 -2.161 -1.902 1.00 . A A . 62 ARG NE 1 1
1 953 1 1 62 ARG NH1 N 16.977 -2.322 -3.686 1.00 . A A . 62 ARG NH1 1 1
1 954 1 1 62 ARG NH2 N 16.871 -0.371 -2.439 1.00 . A A . 62 ARG NH2 1 1
1 955 1 1 62 ARG O O 11.259 -4.820 -2.606 1.00 . A A . 62 ARG O 1 1
1 956 1 1 63 HIS C C 9.745 -6.647 -4.303 1.00 . A A . 63 HIS C 1 1
1 957 1 1 63 HIS CA C 11.221 -6.981 -4.429 1.00 . A A . 63 HIS CA 1 1
1 958 1 1 63 HIS CB C 11.357 -8.398 -5.023 1.00 . A A . 63 HIS CB 1 1
1 959 1 1 63 HIS CD2 C 11.847 -8.010 -7.507 1.00 . A A . 63 HIS CD2 1 1
1 960 1 1 63 HIS CE1 C 13.863 -8.868 -7.632 1.00 . A A . 63 HIS CE1 1 1
1 961 1 1 63 HIS CG C 12.198 -8.466 -6.267 1.00 . A A . 63 HIS CG 1 1
1 962 1 1 63 HIS H H 12.271 -7.757 -2.790 1.00 . A A . 63 HIS H 1 1
1 963 1 1 63 HIS HA H 11.701 -6.258 -5.090 1.00 . A A . 63 HIS HA 1 1
1 964 1 1 63 HIS HB2 H 11.764 -9.089 -4.287 1.00 . A A . 63 HIS HB2 1 1
1 965 1 1 63 HIS HB3 H 10.372 -8.782 -5.288 1.00 . A A . 63 HIS HB3 1 1
1 966 1 1 63 HIS HD1 H 14.077 -9.157 -5.565 1.00 . A A . 63 HIS HD1 1 1
1 967 1 1 63 HIS HD2 H 10.925 -7.507 -7.758 1.00 . A A . 63 HIS HD2 1 1
1 968 1 1 63 HIS HE1 H 14.845 -9.136 -7.995 1.00 . A A . 63 HIS HE1 1 1
1 969 1 1 63 HIS N N 11.840 -6.915 -3.116 1.00 . A A . 63 HIS N 1 1
1 970 1 1 63 HIS ND1 N 13.460 -8.996 -6.357 1.00 . A A . 63 HIS ND1 1 1
1 971 1 1 63 HIS NE2 N 12.907 -8.285 -8.376 1.00 . A A . 63 HIS NE2 1 1
1 972 1 1 63 HIS O O 9.175 -6.025 -5.187 1.00 . A A . 63 HIS O 1 1
1 973 1 1 64 GLY C C 7.375 -5.473 -2.614 1.00 . A A . 64 GLY C 1 1
1 974 1 1 64 GLY CA C 7.688 -6.879 -3.010 1.00 . A A . 64 GLY CA 1 1
1 975 1 1 64 GLY H H 9.654 -7.546 -2.494 1.00 . A A . 64 GLY H 1 1
1 976 1 1 64 GLY HA2 H 7.140 -7.154 -3.912 1.00 . A A . 64 GLY HA2 1 1
1 977 1 1 64 GLY HA3 H 7.345 -7.464 -2.173 1.00 . A A . 64 GLY HA3 1 1
1 978 1 1 64 GLY N N 9.117 -7.062 -3.202 1.00 . A A . 64 GLY N 1 1
1 979 1 1 64 GLY O O 6.390 -4.919 -3.058 1.00 . A A . 64 GLY O 1 1
1 980 1 1 65 PHE C C 8.446 -2.681 -2.741 1.00 . A A . 65 PHE C 1 1
1 981 1 1 65 PHE CA C 8.169 -3.488 -1.481 1.00 . A A . 65 PHE CA 1 1
1 982 1 1 65 PHE CB C 9.150 -3.129 -0.358 1.00 . A A . 65 PHE CB 1 1
1 983 1 1 65 PHE CD1 C 7.417 -3.331 1.467 1.00 . A A . 65 PHE CD1 1 1
1 984 1 1 65 PHE CD2 C 9.585 -4.382 1.816 1.00 . A A . 65 PHE CD2 1 1
1 985 1 1 65 PHE CE1 C 6.971 -3.817 2.705 1.00 . A A . 65 PHE CE1 1 1
1 986 1 1 65 PHE CE2 C 9.141 -4.831 3.073 1.00 . A A . 65 PHE CE2 1 1
1 987 1 1 65 PHE CG C 8.712 -3.634 1.002 1.00 . A A . 65 PHE CG 1 1
1 988 1 1 65 PHE CZ C 7.833 -4.585 3.498 1.00 . A A . 65 PHE CZ 1 1
1 989 1 1 65 PHE H H 8.887 -5.508 -1.351 1.00 . A A . 65 PHE H 1 1
1 990 1 1 65 PHE HA H 7.157 -3.236 -1.170 1.00 . A A . 65 PHE HA 1 1
1 991 1 1 65 PHE HB2 H 10.138 -3.518 -0.605 1.00 . A A . 65 PHE HB2 1 1
1 992 1 1 65 PHE HB3 H 9.228 -2.042 -0.299 1.00 . A A . 65 PHE HB3 1 1
1 993 1 1 65 PHE HD1 H 6.752 -2.720 0.877 1.00 . A A . 65 PHE HD1 1 1
1 994 1 1 65 PHE HD2 H 10.592 -4.600 1.492 1.00 . A A . 65 PHE HD2 1 1
1 995 1 1 65 PHE HE1 H 5.976 -3.586 3.051 1.00 . A A . 65 PHE HE1 1 1
1 996 1 1 65 PHE HE2 H 9.776 -5.359 3.757 1.00 . A A . 65 PHE HE2 1 1
1 997 1 1 65 PHE HZ H 7.518 -4.974 4.453 1.00 . A A . 65 PHE HZ 1 1
1 998 1 1 65 PHE N N 8.210 -4.903 -1.765 1.00 . A A . 65 PHE N 1 1
1 999 1 1 65 PHE O O 7.853 -1.628 -2.888 1.00 . A A . 65 PHE O 1 1
1 1000 1 1 66 ASP C C 8.349 -2.460 -5.814 1.00 . A A . 66 ASP C 1 1
1 1001 1 1 66 ASP CA C 9.572 -2.413 -4.892 1.00 . A A . 66 ASP CA 1 1
1 1002 1 1 66 ASP CB C 10.823 -3.012 -5.557 1.00 . A A . 66 ASP CB 1 1
1 1003 1 1 66 ASP CG C 11.673 -1.929 -6.217 1.00 . A A . 66 ASP CG 1 1
1 1004 1 1 66 ASP H H 9.757 -4.022 -3.521 1.00 . A A . 66 ASP H 1 1
1 1005 1 1 66 ASP HA H 9.783 -1.375 -4.634 1.00 . A A . 66 ASP HA 1 1
1 1006 1 1 66 ASP HB2 H 11.439 -3.502 -4.803 1.00 . A A . 66 ASP HB2 1 1
1 1007 1 1 66 ASP HB3 H 10.542 -3.764 -6.296 1.00 . A A . 66 ASP HB3 1 1
1 1008 1 1 66 ASP N N 9.273 -3.151 -3.670 1.00 . A A . 66 ASP N 1 1
1 1009 1 1 66 ASP O O 7.907 -1.452 -6.358 1.00 . A A . 66 ASP O 1 1
1 1010 1 1 66 ASP OD1 O 11.192 -1.344 -7.209 1.00 . A A . 66 ASP OD1 1 1
1 1011 1 1 66 ASP OD2 O 12.790 -1.690 -5.700 1.00 . A A . 66 ASP OD2 1 1
1 1012 1 1 67 ILE C C 5.342 -3.185 -6.227 1.00 . A A . 67 ILE C 1 1
1 1013 1 1 67 ILE CA C 6.580 -3.894 -6.777 1.00 . A A . 67 ILE CA 1 1
1 1014 1 1 67 ILE CB C 6.418 -5.430 -6.870 1.00 . A A . 67 ILE CB 1 1
1 1015 1 1 67 ILE CD1 C 7.691 -7.393 -7.934 1.00 . A A . 67 ILE CD1 1 1
1 1016 1 1 67 ILE CG1 C 7.284 -5.919 -8.045 1.00 . A A . 67 ILE CG1 1 1
1 1017 1 1 67 ILE CG2 C 4.969 -5.911 -7.013 1.00 . A A . 67 ILE CG2 1 1
1 1018 1 1 67 ILE H H 8.096 -4.409 -5.372 1.00 . A A . 67 ILE H 1 1
1 1019 1 1 67 ILE HA H 6.776 -3.487 -7.769 1.00 . A A . 67 ILE HA 1 1
1 1020 1 1 67 ILE HB H 6.793 -5.878 -5.950 1.00 . A A . 67 ILE HB 1 1
1 1021 1 1 67 ILE HD11 H 6.812 -8.034 -7.889 1.00 . A A . 67 ILE HD11 1 1
1 1022 1 1 67 ILE HD12 H 8.284 -7.666 -8.807 1.00 . A A . 67 ILE HD12 1 1
1 1023 1 1 67 ILE HD13 H 8.295 -7.546 -7.041 1.00 . A A . 67 ILE HD13 1 1
1 1024 1 1 67 ILE HG12 H 6.741 -5.764 -8.978 1.00 . A A . 67 ILE HG12 1 1
1 1025 1 1 67 ILE HG13 H 8.201 -5.329 -8.085 1.00 . A A . 67 ILE HG13 1 1
1 1026 1 1 67 ILE HG21 H 4.495 -5.434 -7.871 1.00 . A A . 67 ILE HG21 1 1
1 1027 1 1 67 ILE HG22 H 4.948 -6.992 -7.138 1.00 . A A . 67 ILE HG22 1 1
1 1028 1 1 67 ILE HG23 H 4.415 -5.677 -6.103 1.00 . A A . 67 ILE HG23 1 1
1 1029 1 1 67 ILE N N 7.731 -3.637 -5.918 1.00 . A A . 67 ILE N 1 1
1 1030 1 1 67 ILE O O 4.564 -2.579 -6.963 1.00 . A A . 67 ILE O 1 1
1 1031 1 1 68 LEU C C 4.125 -1.239 -4.188 1.00 . A A . 68 LEU C 1 1
1 1032 1 1 68 LEU CA C 4.022 -2.745 -4.193 1.00 . A A . 68 LEU CA 1 1
1 1033 1 1 68 LEU CB C 4.021 -3.262 -2.749 1.00 . A A . 68 LEU CB 1 1
1 1034 1 1 68 LEU CD1 C 1.516 -3.356 -2.390 1.00 . A A . 68 LEU CD1 1 1
1 1035 1 1 68 LEU CD2 C 3.033 -3.116 -0.485 1.00 . A A . 68 LEU CD2 1 1
1 1036 1 1 68 LEU CG C 2.835 -2.729 -1.941 1.00 . A A . 68 LEU CG 1 1
1 1037 1 1 68 LEU H H 5.895 -3.712 -4.397 1.00 . A A . 68 LEU H 1 1
1 1038 1 1 68 LEU HA H 3.108 -3.047 -4.704 1.00 . A A . 68 LEU HA 1 1
1 1039 1 1 68 LEU HB2 H 3.984 -4.349 -2.748 1.00 . A A . 68 LEU HB2 1 1
1 1040 1 1 68 LEU HB3 H 4.944 -2.950 -2.259 1.00 . A A . 68 LEU HB3 1 1
1 1041 1 1 68 LEU HD11 H 1.534 -4.431 -2.214 1.00 . A A . 68 LEU HD11 1 1
1 1042 1 1 68 LEU HD12 H 0.701 -2.915 -1.821 1.00 . A A . 68 LEU HD12 1 1
1 1043 1 1 68 LEU HD13 H 1.349 -3.168 -3.447 1.00 . A A . 68 LEU HD13 1 1
1 1044 1 1 68 LEU HD21 H 3.929 -2.644 -0.081 1.00 . A A . 68 LEU HD21 1 1
1 1045 1 1 68 LEU HD22 H 2.162 -2.797 0.077 1.00 . A A . 68 LEU HD22 1 1
1 1046 1 1 68 LEU HD23 H 3.115 -4.194 -0.423 1.00 . A A . 68 LEU HD23 1 1
1 1047 1 1 68 LEU HG H 2.775 -1.645 -2.008 1.00 . A A . 68 LEU HG 1 1
1 1048 1 1 68 LEU N N 5.160 -3.270 -4.915 1.00 . A A . 68 LEU N 1 1
1 1049 1 1 68 LEU O O 3.177 -0.567 -4.569 1.00 . A A . 68 LEU O 1 1
1 1050 1 1 69 VAL C C 5.355 1.312 -5.118 1.00 . A A . 69 VAL C 1 1
1 1051 1 1 69 VAL CA C 5.445 0.737 -3.705 1.00 . A A . 69 VAL CA 1 1
1 1052 1 1 69 VAL CB C 6.731 1.128 -2.951 1.00 . A A . 69 VAL CB 1 1
1 1053 1 1 69 VAL CG1 C 7.980 1.171 -3.841 1.00 . A A . 69 VAL CG1 1 1
1 1054 1 1 69 VAL CG2 C 6.560 2.490 -2.276 1.00 . A A . 69 VAL CG2 1 1
1 1055 1 1 69 VAL H H 6.017 -1.319 -3.443 1.00 . A A . 69 VAL H 1 1
1 1056 1 1 69 VAL HA H 4.610 1.131 -3.138 1.00 . A A . 69 VAL HA 1 1
1 1057 1 1 69 VAL HB H 6.883 0.416 -2.142 1.00 . A A . 69 VAL HB 1 1
1 1058 1 1 69 VAL HG11 H 7.922 2.002 -4.543 1.00 . A A . 69 VAL HG11 1 1
1 1059 1 1 69 VAL HG12 H 8.868 1.290 -3.221 1.00 . A A . 69 VAL HG12 1 1
1 1060 1 1 69 VAL HG13 H 8.073 0.247 -4.408 1.00 . A A . 69 VAL HG13 1 1
1 1061 1 1 69 VAL HG21 H 5.731 2.445 -1.569 1.00 . A A . 69 VAL HG21 1 1
1 1062 1 1 69 VAL HG22 H 7.471 2.740 -1.732 1.00 . A A . 69 VAL HG22 1 1
1 1063 1 1 69 VAL HG23 H 6.360 3.255 -3.026 1.00 . A A . 69 VAL HG23 1 1
1 1064 1 1 69 VAL N N 5.268 -0.707 -3.751 1.00 . A A . 69 VAL N 1 1
1 1065 1 1 69 VAL O O 4.815 2.399 -5.298 1.00 . A A . 69 VAL O 1 1
1 1066 1 1 70 GLY C C 4.133 1.125 -7.839 1.00 . A A . 70 GLY C 1 1
1 1067 1 1 70 GLY CA C 5.614 0.944 -7.521 1.00 . A A . 70 GLY CA 1 1
1 1068 1 1 70 GLY H H 6.255 -0.323 -5.949 1.00 . A A . 70 GLY H 1 1
1 1069 1 1 70 GLY HA2 H 6.143 1.880 -7.704 1.00 . A A . 70 GLY HA2 1 1
1 1070 1 1 70 GLY HA3 H 6.028 0.166 -8.163 1.00 . A A . 70 GLY HA3 1 1
1 1071 1 1 70 GLY N N 5.785 0.556 -6.133 1.00 . A A . 70 GLY N 1 1
1 1072 1 1 70 GLY O O 3.716 2.171 -8.331 1.00 . A A . 70 GLY O 1 1
1 1073 1 1 71 GLN C C 1.209 1.235 -6.864 1.00 . A A . 71 GLN C 1 1
1 1074 1 1 71 GLN CA C 1.884 0.200 -7.766 1.00 . A A . 71 GLN CA 1 1
1 1075 1 1 71 GLN CB C 1.241 -1.174 -7.554 1.00 . A A . 71 GLN CB 1 1
1 1076 1 1 71 GLN CD C 0.598 -2.589 -9.610 1.00 . A A . 71 GLN CD 1 1
1 1077 1 1 71 GLN CG C 1.689 -2.201 -8.609 1.00 . A A . 71 GLN CG 1 1
1 1078 1 1 71 GLN H H 3.689 -0.712 -7.077 1.00 . A A . 71 GLN H 1 1
1 1079 1 1 71 GLN HA H 1.721 0.507 -8.800 1.00 . A A . 71 GLN HA 1 1
1 1080 1 1 71 GLN HB2 H 1.515 -1.541 -6.564 1.00 . A A . 71 GLN HB2 1 1
1 1081 1 1 71 GLN HB3 H 0.158 -1.057 -7.578 1.00 . A A . 71 GLN HB3 1 1
1 1082 1 1 71 GLN HE21 H 1.964 -3.171 -11.010 1.00 . A A . 71 GLN HE21 1 1
1 1083 1 1 71 GLN HE22 H 0.263 -3.338 -11.429 1.00 . A A . 71 GLN HE22 1 1
1 1084 1 1 71 GLN HG2 H 2.548 -1.810 -9.156 1.00 . A A . 71 GLN HG2 1 1
1 1085 1 1 71 GLN HG3 H 2.006 -3.108 -8.095 1.00 . A A . 71 GLN HG3 1 1
1 1086 1 1 71 GLN N N 3.315 0.122 -7.516 1.00 . A A . 71 GLN N 1 1
1 1087 1 1 71 GLN NE2 N 0.989 -3.079 -10.779 1.00 . A A . 71 GLN NE2 1 1
1 1088 1 1 71 GLN O O 0.164 1.750 -7.238 1.00 . A A . 71 GLN O 1 1
1 1089 1 1 71 GLN OE1 O -0.595 -2.497 -9.344 1.00 . A A . 71 GLN OE1 1 1
1 1090 1 1 72 ILE C C 1.483 3.970 -5.533 1.00 . A A . 72 ILE C 1 1
1 1091 1 1 72 ILE CA C 1.249 2.632 -4.851 1.00 . A A . 72 ILE CA 1 1
1 1092 1 1 72 ILE CB C 1.910 2.593 -3.456 1.00 . A A . 72 ILE CB 1 1
1 1093 1 1 72 ILE CD1 C 2.051 1.138 -1.351 1.00 . A A . 72 ILE CD1 1 1
1 1094 1 1 72 ILE CG1 C 1.291 1.439 -2.648 1.00 . A A . 72 ILE CG1 1 1
1 1095 1 1 72 ILE CG2 C 1.764 3.916 -2.680 1.00 . A A . 72 ILE CG2 1 1
1 1096 1 1 72 ILE H H 2.644 1.129 -5.437 1.00 . A A . 72 ILE H 1 1
1 1097 1 1 72 ILE HA H 0.172 2.498 -4.739 1.00 . A A . 72 ILE HA 1 1
1 1098 1 1 72 ILE HB H 2.972 2.411 -3.585 1.00 . A A . 72 ILE HB 1 1
1 1099 1 1 72 ILE HD11 H 1.950 1.961 -0.645 1.00 . A A . 72 ILE HD11 1 1
1 1100 1 1 72 ILE HD12 H 1.642 0.237 -0.895 1.00 . A A . 72 ILE HD12 1 1
1 1101 1 1 72 ILE HD13 H 3.104 0.967 -1.563 1.00 . A A . 72 ILE HD13 1 1
1 1102 1 1 72 ILE HG12 H 0.256 1.684 -2.408 1.00 . A A . 72 ILE HG12 1 1
1 1103 1 1 72 ILE HG13 H 1.289 0.536 -3.257 1.00 . A A . 72 ILE HG13 1 1
1 1104 1 1 72 ILE HG21 H 0.711 4.157 -2.541 1.00 . A A . 72 ILE HG21 1 1
1 1105 1 1 72 ILE HG22 H 2.254 3.847 -1.712 1.00 . A A . 72 ILE HG22 1 1
1 1106 1 1 72 ILE HG23 H 2.250 4.730 -3.220 1.00 . A A . 72 ILE HG23 1 1
1 1107 1 1 72 ILE N N 1.778 1.574 -5.704 1.00 . A A . 72 ILE N 1 1
1 1108 1 1 72 ILE O O 0.643 4.856 -5.421 1.00 . A A . 72 ILE O 1 1
1 1109 1 1 73 ASP C C 1.948 5.568 -8.046 1.00 . A A . 73 ASP C 1 1
1 1110 1 1 73 ASP CA C 2.918 5.388 -6.887 1.00 . A A . 73 ASP CA 1 1
1 1111 1 1 73 ASP CB C 4.375 5.409 -7.361 1.00 . A A . 73 ASP CB 1 1
1 1112 1 1 73 ASP CG C 4.899 6.844 -7.348 1.00 . A A . 73 ASP CG 1 1
1 1113 1 1 73 ASP H H 3.281 3.381 -6.296 1.00 . A A . 73 ASP H 1 1
1 1114 1 1 73 ASP HA H 2.776 6.201 -6.173 1.00 . A A . 73 ASP HA 1 1
1 1115 1 1 73 ASP HB2 H 4.990 4.810 -6.689 1.00 . A A . 73 ASP HB2 1 1
1 1116 1 1 73 ASP HB3 H 4.455 4.983 -8.364 1.00 . A A . 73 ASP HB3 1 1
1 1117 1 1 73 ASP N N 2.610 4.133 -6.225 1.00 . A A . 73 ASP N 1 1
1 1118 1 1 73 ASP O O 1.364 6.635 -8.216 1.00 . A A . 73 ASP O 1 1
1 1119 1 1 73 ASP OD1 O 5.207 7.322 -6.231 1.00 . A A . 73 ASP OD1 1 1
1 1120 1 1 73 ASP OD2 O 4.971 7.449 -8.440 1.00 . A A . 73 ASP OD2 1 1
1 1121 1 1 74 ASP C C -0.651 4.817 -9.405 1.00 . A A . 74 ASP C 1 1
1 1122 1 1 74 ASP CA C 0.761 4.507 -9.908 1.00 . A A . 74 ASP CA 1 1
1 1123 1 1 74 ASP CB C 0.806 3.160 -10.653 1.00 . A A . 74 ASP CB 1 1
1 1124 1 1 74 ASP CG C 0.660 3.304 -12.171 1.00 . A A . 74 ASP CG 1 1
1 1125 1 1 74 ASP H H 2.220 3.640 -8.600 1.00 . A A . 74 ASP H 1 1
1 1126 1 1 74 ASP HA H 1.075 5.306 -10.578 1.00 . A A . 74 ASP HA 1 1
1 1127 1 1 74 ASP HB2 H 1.758 2.667 -10.455 1.00 . A A . 74 ASP HB2 1 1
1 1128 1 1 74 ASP HB3 H 0.015 2.507 -10.278 1.00 . A A . 74 ASP HB3 1 1
1 1129 1 1 74 ASP N N 1.695 4.487 -8.788 1.00 . A A . 74 ASP N 1 1
1 1130 1 1 74 ASP O O -1.343 5.678 -9.944 1.00 . A A . 74 ASP O 1 1
1 1131 1 1 74 ASP OD1 O 0.705 4.452 -12.670 1.00 . A A . 74 ASP OD1 1 1
1 1132 1 1 74 ASP OD2 O 0.545 2.244 -12.824 1.00 . A A . 74 ASP OD2 1 1
1 1133 1 1 75 ALA C C -2.458 5.880 -7.231 1.00 . A A . 75 ALA C 1 1
1 1134 1 1 75 ALA CA C -2.368 4.433 -7.703 1.00 . A A . 75 ALA CA 1 1
1 1135 1 1 75 ALA CB C -2.658 3.462 -6.545 1.00 . A A . 75 ALA CB 1 1
1 1136 1 1 75 ALA H H -0.447 3.498 -7.888 1.00 . A A . 75 ALA H 1 1
1 1137 1 1 75 ALA HA H -3.115 4.286 -8.472 1.00 . A A . 75 ALA HA 1 1
1 1138 1 1 75 ALA HB1 H -2.840 4.012 -5.621 1.00 . A A . 75 ALA HB1 1 1
1 1139 1 1 75 ALA HB2 H -3.544 2.871 -6.780 1.00 . A A . 75 ALA HB2 1 1
1 1140 1 1 75 ALA HB3 H -1.825 2.785 -6.377 1.00 . A A . 75 ALA HB3 1 1
1 1141 1 1 75 ALA N N -1.066 4.177 -8.307 1.00 . A A . 75 ALA N 1 1
1 1142 1 1 75 ALA O O -3.491 6.537 -7.373 1.00 . A A . 75 ALA O 1 1
1 1143 1 1 76 LEU C C -1.448 8.703 -7.487 1.00 . A A . 76 LEU C 1 1
1 1144 1 1 76 LEU CA C -1.332 7.798 -6.281 1.00 . A A . 76 LEU CA 1 1
1 1145 1 1 76 LEU CB C -0.039 8.127 -5.531 1.00 . A A . 76 LEU CB 1 1
1 1146 1 1 76 LEU CD1 C 1.121 8.232 -3.359 1.00 . A A . 76 LEU CD1 1 1
1 1147 1 1 76 LEU CD2 C -1.149 9.169 -3.519 1.00 . A A . 76 LEU CD2 1 1
1 1148 1 1 76 LEU CG C -0.236 8.046 -4.019 1.00 . A A . 76 LEU CG 1 1
1 1149 1 1 76 LEU H H -0.514 5.851 -6.670 1.00 . A A . 76 LEU H 1 1
1 1150 1 1 76 LEU HA H -2.199 7.979 -5.652 1.00 . A A . 76 LEU HA 1 1
1 1151 1 1 76 LEU HB2 H 0.750 7.443 -5.840 1.00 . A A . 76 LEU HB2 1 1
1 1152 1 1 76 LEU HB3 H 0.286 9.137 -5.783 1.00 . A A . 76 LEU HB3 1 1
1 1153 1 1 76 LEU HD11 H 1.524 9.198 -3.662 1.00 . A A . 76 LEU HD11 1 1
1 1154 1 1 76 LEU HD12 H 1.007 8.194 -2.277 1.00 . A A . 76 LEU HD12 1 1
1 1155 1 1 76 LEU HD13 H 1.787 7.435 -3.686 1.00 . A A . 76 LEU HD13 1 1
1 1156 1 1 76 LEU HD21 H -2.162 9.024 -3.883 1.00 . A A . 76 LEU HD21 1 1
1 1157 1 1 76 LEU HD22 H -1.170 9.169 -2.431 1.00 . A A . 76 LEU HD22 1 1
1 1158 1 1 76 LEU HD23 H -0.769 10.132 -3.863 1.00 . A A . 76 LEU HD23 1 1
1 1159 1 1 76 LEU HG H -0.645 7.074 -3.746 1.00 . A A . 76 LEU HG 1 1
1 1160 1 1 76 LEU N N -1.360 6.409 -6.698 1.00 . A A . 76 LEU N 1 1
1 1161 1 1 76 LEU O O -2.009 9.785 -7.384 1.00 . A A . 76 LEU O 1 1
1 1162 1 1 77 LYS C C -2.436 9.175 -10.388 1.00 . A A . 77 LYS C 1 1
1 1163 1 1 77 LYS CA C -1.013 9.043 -9.857 1.00 . A A . 77 LYS CA 1 1
1 1164 1 1 77 LYS CB C -0.122 8.353 -10.888 1.00 . A A . 77 LYS CB 1 1
1 1165 1 1 77 LYS CD C 1.603 8.642 -12.601 1.00 . A A . 77 LYS CD 1 1
1 1166 1 1 77 LYS CE C 2.246 9.659 -13.534 1.00 . A A . 77 LYS CE 1 1
1 1167 1 1 77 LYS CG C 0.726 9.390 -11.605 1.00 . A A . 77 LYS CG 1 1
1 1168 1 1 77 LYS H H -0.501 7.361 -8.670 1.00 . A A . 77 LYS H 1 1
1 1169 1 1 77 LYS HA H -0.631 10.040 -9.645 1.00 . A A . 77 LYS HA 1 1
1 1170 1 1 77 LYS HB2 H 0.552 7.646 -10.405 1.00 . A A . 77 LYS HB2 1 1
1 1171 1 1 77 LYS HB3 H -0.735 7.804 -11.606 1.00 . A A . 77 LYS HB3 1 1
1 1172 1 1 77 LYS HD2 H 2.368 8.072 -12.068 1.00 . A A . 77 LYS HD2 1 1
1 1173 1 1 77 LYS HD3 H 0.978 7.955 -13.174 1.00 . A A . 77 LYS HD3 1 1
1 1174 1 1 77 LYS HE2 H 1.492 10.400 -13.811 1.00 . A A . 77 LYS HE2 1 1
1 1175 1 1 77 LYS HE3 H 3.057 10.166 -13.005 1.00 . A A . 77 LYS HE3 1 1
1 1176 1 1 77 LYS HG2 H 0.078 10.095 -12.126 1.00 . A A . 77 LYS HG2 1 1
1 1177 1 1 77 LYS HG3 H 1.353 9.923 -10.888 1.00 . A A . 77 LYS HG3 1 1
1 1178 1 1 77 LYS HZ1 H 3.155 9.676 -15.375 1.00 . A A . 77 LYS HZ1 1 1
1 1179 1 1 77 LYS HZ2 H 3.446 8.304 -14.498 1.00 . A A . 77 LYS HZ2 1 1
1 1180 1 1 77 LYS HZ3 H 1.984 8.526 -15.216 1.00 . A A . 77 LYS HZ3 1 1
1 1181 1 1 77 LYS N N -0.960 8.265 -8.639 1.00 . A A . 77 LYS N 1 1
1 1182 1 1 77 LYS NZ N 2.751 8.994 -14.750 1.00 . A A . 77 LYS NZ 1 1
1 1183 1 1 77 LYS O O -2.694 10.049 -11.206 1.00 . A A . 77 LYS O 1 1
1 1184 1 1 78 LEU C C -5.428 9.418 -9.536 1.00 . A A . 78 LEU C 1 1
1 1185 1 1 78 LEU CA C -4.743 8.341 -10.349 1.00 . A A . 78 LEU CA 1 1
1 1186 1 1 78 LEU CB C -5.372 6.953 -10.128 1.00 . A A . 78 LEU CB 1 1
1 1187 1 1 78 LEU CD1 C -5.166 4.485 -10.576 1.00 . A A . 78 LEU CD1 1 1
1 1188 1 1 78 LEU CD2 C -5.220 6.051 -12.488 1.00 . A A . 78 LEU CD2 1 1
1 1189 1 1 78 LEU CG C -4.756 5.880 -11.041 1.00 . A A . 78 LEU CG 1 1
1 1190 1 1 78 LEU H H -3.124 7.731 -9.161 1.00 . A A . 78 LEU H 1 1
1 1191 1 1 78 LEU HA H -4.810 8.620 -11.401 1.00 . A A . 78 LEU HA 1 1
1 1192 1 1 78 LEU HB2 H -5.233 6.655 -9.092 1.00 . A A . 78 LEU HB2 1 1
1 1193 1 1 78 LEU HB3 H -6.444 7.002 -10.308 1.00 . A A . 78 LEU HB3 1 1
1 1194 1 1 78 LEU HD11 H -6.237 4.361 -10.677 1.00 . A A . 78 LEU HD11 1 1
1 1195 1 1 78 LEU HD12 H -4.666 3.728 -11.180 1.00 . A A . 78 LEU HD12 1 1
1 1196 1 1 78 LEU HD13 H -4.898 4.339 -9.535 1.00 . A A . 78 LEU HD13 1 1
1 1197 1 1 78 LEU HD21 H -4.870 7.001 -12.887 1.00 . A A . 78 LEU HD21 1 1
1 1198 1 1 78 LEU HD22 H -4.804 5.245 -13.093 1.00 . A A . 78 LEU HD22 1 1
1 1199 1 1 78 LEU HD23 H -6.306 6.002 -12.541 1.00 . A A . 78 LEU HD23 1 1
1 1200 1 1 78 LEU HG H -3.671 5.946 -11.005 1.00 . A A . 78 LEU HG 1 1
1 1201 1 1 78 LEU N N -3.362 8.336 -9.926 1.00 . A A . 78 LEU N 1 1
1 1202 1 1 78 LEU O O -5.858 10.426 -10.081 1.00 . A A . 78 LEU O 1 1
1 1203 1 1 79 ALA C C -5.471 11.609 -7.456 1.00 . A A . 79 ALA C 1 1
1 1204 1 1 79 ALA CA C -6.140 10.244 -7.369 1.00 . A A . 79 ALA CA 1 1
1 1205 1 1 79 ALA CB C -6.115 9.769 -5.921 1.00 . A A . 79 ALA CB 1 1
1 1206 1 1 79 ALA H H -5.081 8.422 -7.811 1.00 . A A . 79 ALA H 1 1
1 1207 1 1 79 ALA HA H -7.173 10.378 -7.697 1.00 . A A . 79 ALA HA 1 1
1 1208 1 1 79 ALA HB1 H -5.428 8.932 -5.808 1.00 . A A . 79 ALA HB1 1 1
1 1209 1 1 79 ALA HB2 H -5.779 10.588 -5.293 1.00 . A A . 79 ALA HB2 1 1
1 1210 1 1 79 ALA HB3 H -7.114 9.485 -5.610 1.00 . A A . 79 ALA HB3 1 1
1 1211 1 1 79 ALA N N -5.492 9.254 -8.217 1.00 . A A . 79 ALA N 1 1
1 1212 1 1 79 ALA O O -6.155 12.623 -7.399 1.00 . A A . 79 ALA O 1 1
1 1213 1 1 80 ASN C C -3.902 13.636 -9.032 1.00 . A A . 80 ASN C 1 1
1 1214 1 1 80 ASN CA C -3.455 12.935 -7.757 1.00 . A A . 80 ASN CA 1 1
1 1215 1 1 80 ASN CB C -1.936 12.733 -7.755 1.00 . A A . 80 ASN CB 1 1
1 1216 1 1 80 ASN CG C -1.205 14.064 -7.673 1.00 . A A . 80 ASN CG 1 1
1 1217 1 1 80 ASN H H -3.639 10.790 -7.541 1.00 . A A . 80 ASN H 1 1
1 1218 1 1 80 ASN HA H -3.722 13.592 -6.933 1.00 . A A . 80 ASN HA 1 1
1 1219 1 1 80 ASN HB2 H -1.647 12.151 -6.882 1.00 . A A . 80 ASN HB2 1 1
1 1220 1 1 80 ASN HB3 H -1.645 12.196 -8.659 1.00 . A A . 80 ASN HB3 1 1
1 1221 1 1 80 ASN HD21 H 0.339 13.417 -8.845 1.00 . A A . 80 ASN HD21 1 1
1 1222 1 1 80 ASN HD22 H 0.406 15.079 -8.287 1.00 . A A . 80 ASN HD22 1 1
1 1223 1 1 80 ASN N N -4.150 11.659 -7.600 1.00 . A A . 80 ASN N 1 1
1 1224 1 1 80 ASN ND2 N -0.058 14.186 -8.328 1.00 . A A . 80 ASN ND2 1 1
1 1225 1 1 80 ASN O O -3.936 14.861 -9.081 1.00 . A A . 80 ASN O 1 1
1 1226 1 1 80 ASN OD1 O -1.639 14.966 -6.964 1.00 . A A . 80 ASN OD1 1 1
1 1227 1 1 81 GLU C C -6.397 13.716 -11.023 1.00 . A A . 81 GLU C 1 1
1 1228 1 1 81 GLU CA C -4.903 13.466 -11.234 1.00 . A A . 81 GLU CA 1 1
1 1229 1 1 81 GLU CB C -4.705 12.564 -12.462 1.00 . A A . 81 GLU CB 1 1
1 1230 1 1 81 GLU CD C -4.095 12.868 -14.877 1.00 . A A . 81 GLU CD 1 1
1 1231 1 1 81 GLU CG C -3.652 13.115 -13.433 1.00 . A A . 81 GLU CG 1 1
1 1232 1 1 81 GLU H H -4.299 11.854 -9.921 1.00 . A A . 81 GLU H 1 1
1 1233 1 1 81 GLU HA H -4.444 14.438 -11.417 1.00 . A A . 81 GLU HA 1 1
1 1234 1 1 81 GLU HB2 H -4.428 11.558 -12.154 1.00 . A A . 81 GLU HB2 1 1
1 1235 1 1 81 GLU HB3 H -5.655 12.479 -12.991 1.00 . A A . 81 GLU HB3 1 1
1 1236 1 1 81 GLU HG2 H -3.525 14.188 -13.283 1.00 . A A . 81 GLU HG2 1 1
1 1237 1 1 81 GLU HG3 H -2.689 12.635 -13.243 1.00 . A A . 81 GLU HG3 1 1
1 1238 1 1 81 GLU N N -4.295 12.866 -10.047 1.00 . A A . 81 GLU N 1 1
1 1239 1 1 81 GLU O O -6.998 14.529 -11.720 1.00 . A A . 81 GLU O 1 1
1 1240 1 1 81 GLU OE1 O -4.015 11.699 -15.318 1.00 . A A . 81 GLU OE1 1 1
1 1241 1 1 81 GLU OE2 O -4.555 13.845 -15.508 1.00 . A A . 81 GLU OE2 1 1
1 1242 1 1 82 GLY C C -9.208 11.897 -9.937 1.00 . A A . 82 GLY C 1 1
1 1243 1 1 82 GLY CA C -8.413 13.178 -9.716 1.00 . A A . 82 GLY CA 1 1
1 1244 1 1 82 GLY H H -6.449 12.349 -9.550 1.00 . A A . 82 GLY H 1 1
1 1245 1 1 82 GLY HA2 H -8.485 13.464 -8.667 1.00 . A A . 82 GLY HA2 1 1
1 1246 1 1 82 GLY HA3 H -8.861 13.965 -10.315 1.00 . A A . 82 GLY HA3 1 1
1 1247 1 1 82 GLY N N -7.008 13.022 -10.064 1.00 . A A . 82 GLY N 1 1
1 1248 1 1 82 GLY O O -10.370 11.815 -9.547 1.00 . A A . 82 GLY O 1 1
1 1249 1 1 83 LYS C C -9.154 8.758 -9.303 1.00 . A A . 83 LYS C 1 1
1 1250 1 1 83 LYS CA C -9.153 9.516 -10.631 1.00 . A A . 83 LYS CA 1 1
1 1251 1 1 83 LYS CB C -8.368 8.752 -11.702 1.00 . A A . 83 LYS CB 1 1
1 1252 1 1 83 LYS CD C -7.563 8.867 -14.069 1.00 . A A . 83 LYS CD 1 1
1 1253 1 1 83 LYS CE C -7.678 9.704 -15.344 1.00 . A A . 83 LYS CE 1 1
1 1254 1 1 83 LYS CG C -8.656 9.310 -13.093 1.00 . A A . 83 LYS CG 1 1
1 1255 1 1 83 LYS H H -7.626 10.975 -10.788 1.00 . A A . 83 LYS H 1 1
1 1256 1 1 83 LYS HA H -10.189 9.608 -10.955 1.00 . A A . 83 LYS HA 1 1
1 1257 1 1 83 LYS HB2 H -7.305 8.829 -11.488 1.00 . A A . 83 LYS HB2 1 1
1 1258 1 1 83 LYS HB3 H -8.649 7.703 -11.701 1.00 . A A . 83 LYS HB3 1 1
1 1259 1 1 83 LYS HD2 H -6.587 9.062 -13.624 1.00 . A A . 83 LYS HD2 1 1
1 1260 1 1 83 LYS HD3 H -7.647 7.799 -14.283 1.00 . A A . 83 LYS HD3 1 1
1 1261 1 1 83 LYS HE2 H -8.019 10.704 -15.067 1.00 . A A . 83 LYS HE2 1 1
1 1262 1 1 83 LYS HE3 H -6.687 9.803 -15.794 1.00 . A A . 83 LYS HE3 1 1
1 1263 1 1 83 LYS HG2 H -9.631 8.956 -13.431 1.00 . A A . 83 LYS HG2 1 1
1 1264 1 1 83 LYS HG3 H -8.669 10.399 -13.052 1.00 . A A . 83 LYS HG3 1 1
1 1265 1 1 83 LYS HZ1 H -8.825 9.777 -17.042 1.00 . A A . 83 LYS HZ1 1 1
1 1266 1 1 83 LYS HZ2 H -8.188 8.291 -16.742 1.00 . A A . 83 LYS HZ2 1 1
1 1267 1 1 83 LYS HZ3 H -9.470 8.826 -15.859 1.00 . A A . 83 LYS HZ3 1 1
1 1268 1 1 83 LYS N N -8.586 10.854 -10.491 1.00 . A A . 83 LYS N 1 1
1 1269 1 1 83 LYS NZ N -8.613 9.104 -16.318 1.00 . A A . 83 LYS NZ 1 1
1 1270 1 1 83 LYS O O -8.827 7.576 -9.269 1.00 . A A . 83 LYS O 1 1
1 1271 1 1 84 VAL C C -10.508 7.419 -7.047 1.00 . A A . 84 VAL C 1 1
1 1272 1 1 84 VAL CA C -9.827 8.792 -6.920 1.00 . A A . 84 VAL CA 1 1
1 1273 1 1 84 VAL CB C -10.574 9.802 -6.043 1.00 . A A . 84 VAL CB 1 1
1 1274 1 1 84 VAL CG1 C -11.999 10.047 -6.505 1.00 . A A . 84 VAL CG1 1 1
1 1275 1 1 84 VAL CG2 C -10.594 9.336 -4.597 1.00 . A A . 84 VAL CG2 1 1
1 1276 1 1 84 VAL H H -9.690 10.403 -8.268 1.00 . A A . 84 VAL H 1 1
1 1277 1 1 84 VAL HA H -8.884 8.637 -6.429 1.00 . A A . 84 VAL HA 1 1
1 1278 1 1 84 VAL HB H -10.043 10.753 -6.084 1.00 . A A . 84 VAL HB 1 1
1 1279 1 1 84 VAL HG11 H -12.579 9.139 -6.364 1.00 . A A . 84 VAL HG11 1 1
1 1280 1 1 84 VAL HG12 H -12.430 10.842 -5.897 1.00 . A A . 84 VAL HG12 1 1
1 1281 1 1 84 VAL HG13 H -11.991 10.346 -7.550 1.00 . A A . 84 VAL HG13 1 1
1 1282 1 1 84 VAL HG21 H -9.579 9.379 -4.215 1.00 . A A . 84 VAL HG21 1 1
1 1283 1 1 84 VAL HG22 H -11.237 9.978 -4.003 1.00 . A A . 84 VAL HG22 1 1
1 1284 1 1 84 VAL HG23 H -10.983 8.320 -4.527 1.00 . A A . 84 VAL HG23 1 1
1 1285 1 1 84 VAL N N -9.560 9.406 -8.212 1.00 . A A . 84 VAL N 1 1
1 1286 1 1 84 VAL O O -10.111 6.469 -6.377 1.00 . A A . 84 VAL O 1 1
1 1287 1 1 85 LYS C C -11.090 4.954 -8.683 1.00 . A A . 85 LYS C 1 1
1 1288 1 1 85 LYS CA C -12.097 5.999 -8.266 1.00 . A A . 85 LYS CA 1 1
1 1289 1 1 85 LYS CB C -13.078 6.126 -9.428 1.00 . A A . 85 LYS CB 1 1
1 1290 1 1 85 LYS CD C -14.864 7.906 -9.441 1.00 . A A . 85 LYS CD 1 1
1 1291 1 1 85 LYS CE C -16.388 7.878 -9.433 1.00 . A A . 85 LYS CE 1 1
1 1292 1 1 85 LYS CG C -14.466 6.520 -8.948 1.00 . A A . 85 LYS CG 1 1
1 1293 1 1 85 LYS H H -11.757 8.100 -8.481 1.00 . A A . 85 LYS H 1 1
1 1294 1 1 85 LYS HA H -12.600 5.621 -7.374 1.00 . A A . 85 LYS HA 1 1
1 1295 1 1 85 LYS HB2 H -12.690 6.824 -10.171 1.00 . A A . 85 LYS HB2 1 1
1 1296 1 1 85 LYS HB3 H -13.174 5.153 -9.916 1.00 . A A . 85 LYS HB3 1 1
1 1297 1 1 85 LYS HD2 H -14.466 8.670 -8.770 1.00 . A A . 85 LYS HD2 1 1
1 1298 1 1 85 LYS HD3 H -14.508 8.070 -10.460 1.00 . A A . 85 LYS HD3 1 1
1 1299 1 1 85 LYS HE2 H -16.707 7.133 -10.165 1.00 . A A . 85 LYS HE2 1 1
1 1300 1 1 85 LYS HE3 H -16.730 7.558 -8.446 1.00 . A A . 85 LYS HE3 1 1
1 1301 1 1 85 LYS HG2 H -15.168 5.786 -9.346 1.00 . A A . 85 LYS HG2 1 1
1 1302 1 1 85 LYS HG3 H -14.527 6.492 -7.860 1.00 . A A . 85 LYS HG3 1 1
1 1303 1 1 85 LYS HZ1 H -17.941 9.064 -10.029 1.00 . A A . 85 LYS HZ1 1 1
1 1304 1 1 85 LYS HZ2 H -16.921 9.800 -8.967 1.00 . A A . 85 LYS HZ2 1 1
1 1305 1 1 85 LYS HZ3 H -16.471 9.602 -10.544 1.00 . A A . 85 LYS HZ3 1 1
1 1306 1 1 85 LYS N N -11.471 7.282 -7.966 1.00 . A A . 85 LYS N 1 1
1 1307 1 1 85 LYS NZ N -16.972 9.188 -9.770 1.00 . A A . 85 LYS NZ 1 1
1 1308 1 1 85 LYS O O -11.049 3.882 -8.099 1.00 . A A . 85 LYS O 1 1
1 1309 1 1 86 GLU C C -8.386 3.872 -9.275 1.00 . A A . 86 GLU C 1 1
1 1310 1 1 86 GLU CA C -9.452 4.225 -10.311 1.00 . A A . 86 GLU CA 1 1
1 1311 1 1 86 GLU CB C -8.778 4.760 -11.577 1.00 . A A . 86 GLU CB 1 1
1 1312 1 1 86 GLU CD C -10.210 4.106 -13.627 1.00 . A A . 86 GLU CD 1 1
1 1313 1 1 86 GLU CG C -9.730 5.221 -12.695 1.00 . A A . 86 GLU CG 1 1
1 1314 1 1 86 GLU H H -10.343 6.150 -10.145 1.00 . A A . 86 GLU H 1 1
1 1315 1 1 86 GLU HA H -10.026 3.332 -10.562 1.00 . A A . 86 GLU HA 1 1
1 1316 1 1 86 GLU HB2 H -8.181 5.615 -11.273 1.00 . A A . 86 GLU HB2 1 1
1 1317 1 1 86 GLU HB3 H -8.093 4.006 -11.961 1.00 . A A . 86 GLU HB3 1 1
1 1318 1 1 86 GLU HG2 H -10.593 5.730 -12.262 1.00 . A A . 86 GLU HG2 1 1
1 1319 1 1 86 GLU HG3 H -9.197 5.950 -13.307 1.00 . A A . 86 GLU HG3 1 1
1 1320 1 1 86 GLU N N -10.339 5.225 -9.745 1.00 . A A . 86 GLU N 1 1
1 1321 1 1 86 GLU O O -7.882 2.759 -9.271 1.00 . A A . 86 GLU O 1 1
1 1322 1 1 86 GLU OE1 O -9.459 3.124 -13.805 1.00 . A A . 86 GLU OE1 1 1
1 1323 1 1 86 GLU OE2 O -11.313 4.288 -14.187 1.00 . A A . 86 GLU OE2 1 1
1 1324 1 1 87 ALA C C -7.725 3.463 -6.358 1.00 . A A . 87 ALA C 1 1
1 1325 1 1 87 ALA CA C -7.139 4.541 -7.273 1.00 . A A . 87 ALA CA 1 1
1 1326 1 1 87 ALA CB C -6.874 5.849 -6.510 1.00 . A A . 87 ALA CB 1 1
1 1327 1 1 87 ALA H H -8.492 5.711 -8.437 1.00 . A A . 87 ALA H 1 1
1 1328 1 1 87 ALA HA H -6.197 4.167 -7.672 1.00 . A A . 87 ALA HA 1 1
1 1329 1 1 87 ALA HB1 H -6.981 5.692 -5.438 1.00 . A A . 87 ALA HB1 1 1
1 1330 1 1 87 ALA HB2 H -5.862 6.188 -6.712 1.00 . A A . 87 ALA HB2 1 1
1 1331 1 1 87 ALA HB3 H -7.568 6.632 -6.815 1.00 . A A . 87 ALA HB3 1 1
1 1332 1 1 87 ALA N N -8.052 4.803 -8.375 1.00 . A A . 87 ALA N 1 1
1 1333 1 1 87 ALA O O -7.050 2.500 -6.003 1.00 . A A . 87 ALA O 1 1
1 1334 1 1 88 GLN C C -9.880 1.347 -5.831 1.00 . A A . 88 GLN C 1 1
1 1335 1 1 88 GLN CA C -9.735 2.713 -5.132 1.00 . A A . 88 GLN CA 1 1
1 1336 1 1 88 GLN CB C -11.031 3.465 -4.754 1.00 . A A . 88 GLN CB 1 1
1 1337 1 1 88 GLN CD C -12.958 1.794 -4.389 1.00 . A A . 88 GLN CD 1 1
1 1338 1 1 88 GLN CG C -12.041 2.850 -3.774 1.00 . A A . 88 GLN CG 1 1
1 1339 1 1 88 GLN H H -9.489 4.438 -6.337 1.00 . A A . 88 GLN H 1 1
1 1340 1 1 88 GLN HA H -9.158 2.550 -4.224 1.00 . A A . 88 GLN HA 1 1
1 1341 1 1 88 GLN HB2 H -10.695 4.388 -4.275 1.00 . A A . 88 GLN HB2 1 1
1 1342 1 1 88 GLN HB3 H -11.563 3.760 -5.656 1.00 . A A . 88 GLN HB3 1 1
1 1343 1 1 88 GLN HE21 H -14.669 2.840 -3.970 1.00 . A A . 88 GLN HE21 1 1
1 1344 1 1 88 GLN HE22 H -14.841 1.252 -4.711 1.00 . A A . 88 GLN HE22 1 1
1 1345 1 1 88 GLN HG2 H -11.522 2.435 -2.912 1.00 . A A . 88 GLN HG2 1 1
1 1346 1 1 88 GLN HG3 H -12.670 3.669 -3.417 1.00 . A A . 88 GLN HG3 1 1
1 1347 1 1 88 GLN N N -8.993 3.628 -5.986 1.00 . A A . 88 GLN N 1 1
1 1348 1 1 88 GLN NE2 N -14.268 2.006 -4.366 1.00 . A A . 88 GLN NE2 1 1
1 1349 1 1 88 GLN O O -9.643 0.313 -5.211 1.00 . A A . 88 GLN O 1 1
1 1350 1 1 88 GLN OE1 O -12.516 0.768 -4.881 1.00 . A A . 88 GLN OE1 1 1
1 1351 1 1 89 ALA C C -8.846 -0.641 -7.893 1.00 . A A . 89 ALA C 1 1
1 1352 1 1 89 ALA CA C -10.190 0.088 -7.920 1.00 . A A . 89 ALA CA 1 1
1 1353 1 1 89 ALA CB C -10.616 0.402 -9.360 1.00 . A A . 89 ALA CB 1 1
1 1354 1 1 89 ALA H H -10.238 2.197 -7.626 1.00 . A A . 89 ALA H 1 1
1 1355 1 1 89 ALA HA H -10.934 -0.570 -7.470 1.00 . A A . 89 ALA HA 1 1
1 1356 1 1 89 ALA HB1 H -10.325 -0.413 -10.024 1.00 . A A . 89 ALA HB1 1 1
1 1357 1 1 89 ALA HB2 H -11.699 0.525 -9.406 1.00 . A A . 89 ALA HB2 1 1
1 1358 1 1 89 ALA HB3 H -10.137 1.316 -9.705 1.00 . A A . 89 ALA HB3 1 1
1 1359 1 1 89 ALA N N -10.122 1.321 -7.144 1.00 . A A . 89 ALA N 1 1
1 1360 1 1 89 ALA O O -8.774 -1.819 -7.554 1.00 . A A . 89 ALA O 1 1
1 1361 1 1 90 ALA C C -5.974 -0.860 -6.798 1.00 . A A . 90 ALA C 1 1
1 1362 1 1 90 ALA CA C -6.430 -0.534 -8.218 1.00 . A A . 90 ALA CA 1 1
1 1363 1 1 90 ALA CB C -5.436 0.409 -8.897 1.00 . A A . 90 ALA CB 1 1
1 1364 1 1 90 ALA H H -7.853 1.015 -8.496 1.00 . A A . 90 ALA H 1 1
1 1365 1 1 90 ALA HA H -6.455 -1.468 -8.781 1.00 . A A . 90 ALA HA 1 1
1 1366 1 1 90 ALA HB1 H -5.530 1.414 -8.485 1.00 . A A . 90 ALA HB1 1 1
1 1367 1 1 90 ALA HB2 H -4.422 0.043 -8.728 1.00 . A A . 90 ALA HB2 1 1
1 1368 1 1 90 ALA HB3 H -5.630 0.434 -9.970 1.00 . A A . 90 ALA HB3 1 1
1 1369 1 1 90 ALA N N -7.760 0.048 -8.234 1.00 . A A . 90 ALA N 1 1
1 1370 1 1 90 ALA O O -5.032 -1.631 -6.632 1.00 . A A . 90 ALA O 1 1
1 1371 1 1 91 ALA C C -6.539 -2.279 -4.241 1.00 . A A . 91 ALA C 1 1
1 1372 1 1 91 ALA CA C -6.299 -0.778 -4.410 1.00 . A A . 91 ALA CA 1 1
1 1373 1 1 91 ALA CB C -7.054 0.044 -3.366 1.00 . A A . 91 ALA CB 1 1
1 1374 1 1 91 ALA H H -7.374 0.327 -5.897 1.00 . A A . 91 ALA H 1 1
1 1375 1 1 91 ALA HA H -5.235 -0.595 -4.266 1.00 . A A . 91 ALA HA 1 1
1 1376 1 1 91 ALA HB1 H -6.317 0.571 -2.765 1.00 . A A . 91 ALA HB1 1 1
1 1377 1 1 91 ALA HB2 H -7.702 0.777 -3.838 1.00 . A A . 91 ALA HB2 1 1
1 1378 1 1 91 ALA HB3 H -7.655 -0.604 -2.726 1.00 . A A . 91 ALA HB3 1 1
1 1379 1 1 91 ALA N N -6.635 -0.352 -5.757 1.00 . A A . 91 ALA N 1 1
1 1380 1 1 91 ALA O O -5.781 -2.943 -3.535 1.00 . A A . 91 ALA O 1 1
1 1381 1 1 92 GLU C C -6.460 -4.992 -5.505 1.00 . A A . 92 GLU C 1 1
1 1382 1 1 92 GLU CA C -7.705 -4.296 -4.938 1.00 . A A . 92 GLU CA 1 1
1 1383 1 1 92 GLU CB C -8.959 -4.668 -5.742 1.00 . A A . 92 GLU CB 1 1
1 1384 1 1 92 GLU CD C -10.721 -5.663 -4.158 1.00 . A A . 92 GLU CD 1 1
1 1385 1 1 92 GLU CG C -10.252 -4.422 -4.941 1.00 . A A . 92 GLU CG 1 1
1 1386 1 1 92 GLU H H -8.142 -2.288 -5.520 1.00 . A A . 92 GLU H 1 1
1 1387 1 1 92 GLU HA H -7.840 -4.634 -3.910 1.00 . A A . 92 GLU HA 1 1
1 1388 1 1 92 GLU HB2 H -8.983 -4.076 -6.654 1.00 . A A . 92 GLU HB2 1 1
1 1389 1 1 92 GLU HB3 H -8.896 -5.709 -6.054 1.00 . A A . 92 GLU HB3 1 1
1 1390 1 1 92 GLU HG2 H -10.093 -3.593 -4.249 1.00 . A A . 92 GLU HG2 1 1
1 1391 1 1 92 GLU HG3 H -11.036 -4.116 -5.636 1.00 . A A . 92 GLU HG3 1 1
1 1392 1 1 92 GLU N N -7.523 -2.850 -4.942 1.00 . A A . 92 GLU N 1 1
1 1393 1 1 92 GLU O O -6.091 -6.070 -5.046 1.00 . A A . 92 GLU O 1 1
1 1394 1 1 92 GLU OE1 O -10.562 -6.787 -4.682 1.00 . A A . 92 GLU OE1 1 1
1 1395 1 1 92 GLU OE2 O -11.206 -5.497 -3.016 1.00 . A A . 92 GLU OE2 1 1
1 1396 1 1 93 GLN C C -3.415 -4.999 -5.915 1.00 . A A . 93 GLN C 1 1
1 1397 1 1 93 GLN CA C -4.518 -4.980 -6.971 1.00 . A A . 93 GLN CA 1 1
1 1398 1 1 93 GLN CB C -4.009 -4.224 -8.207 1.00 . A A . 93 GLN CB 1 1
1 1399 1 1 93 GLN CD C -5.011 -5.283 -10.305 1.00 . A A . 93 GLN CD 1 1
1 1400 1 1 93 GLN CG C -5.030 -4.093 -9.347 1.00 . A A . 93 GLN CG 1 1
1 1401 1 1 93 GLN H H -6.011 -3.449 -6.763 1.00 . A A . 93 GLN H 1 1
1 1402 1 1 93 GLN HA H -4.729 -6.014 -7.226 1.00 . A A . 93 GLN HA 1 1
1 1403 1 1 93 GLN HB2 H -3.702 -3.226 -7.901 1.00 . A A . 93 GLN HB2 1 1
1 1404 1 1 93 GLN HB3 H -3.116 -4.724 -8.586 1.00 . A A . 93 GLN HB3 1 1
1 1405 1 1 93 GLN HE21 H -5.302 -6.689 -8.841 1.00 . A A . 93 GLN HE21 1 1
1 1406 1 1 93 GLN HE22 H -5.097 -7.258 -10.487 1.00 . A A . 93 GLN HE22 1 1
1 1407 1 1 93 GLN HG2 H -6.037 -3.948 -8.958 1.00 . A A . 93 GLN HG2 1 1
1 1408 1 1 93 GLN HG3 H -4.770 -3.203 -9.922 1.00 . A A . 93 GLN HG3 1 1
1 1409 1 1 93 GLN N N -5.742 -4.376 -6.449 1.00 . A A . 93 GLN N 1 1
1 1410 1 1 93 GLN NE2 N -5.137 -6.510 -9.815 1.00 . A A . 93 GLN NE2 1 1
1 1411 1 1 93 GLN O O -2.599 -5.919 -5.871 1.00 . A A . 93 GLN O 1 1
1 1412 1 1 93 GLN OE1 O -4.878 -5.116 -11.509 1.00 . A A . 93 GLN OE1 1 1
1 1413 1 1 94 LEU C C -2.601 -5.205 -3.026 1.00 . A A . 94 LEU C 1 1
1 1414 1 1 94 LEU CA C -2.385 -4.018 -3.959 1.00 . A A . 94 LEU CA 1 1
1 1415 1 1 94 LEU CB C -2.444 -2.686 -3.203 1.00 . A A . 94 LEU CB 1 1
1 1416 1 1 94 LEU CD1 C -2.309 -0.179 -3.393 1.00 . A A . 94 LEU CD1 1 1
1 1417 1 1 94 LEU CD2 C -0.951 -1.575 -4.920 1.00 . A A . 94 LEU CD2 1 1
1 1418 1 1 94 LEU CG C -2.275 -1.496 -4.161 1.00 . A A . 94 LEU CG 1 1
1 1419 1 1 94 LEU H H -4.114 -3.310 -5.033 1.00 . A A . 94 LEU H 1 1
1 1420 1 1 94 LEU HA H -1.400 -4.138 -4.405 1.00 . A A . 94 LEU HA 1 1
1 1421 1 1 94 LEU HB2 H -3.401 -2.605 -2.689 1.00 . A A . 94 LEU HB2 1 1
1 1422 1 1 94 LEU HB3 H -1.652 -2.669 -2.456 1.00 . A A . 94 LEU HB3 1 1
1 1423 1 1 94 LEU HD11 H -1.526 -0.178 -2.638 1.00 . A A . 94 LEU HD11 1 1
1 1424 1 1 94 LEU HD12 H -2.149 0.649 -4.083 1.00 . A A . 94 LEU HD12 1 1
1 1425 1 1 94 LEU HD13 H -3.285 -0.051 -2.928 1.00 . A A . 94 LEU HD13 1 1
1 1426 1 1 94 LEU HD21 H -0.948 -2.431 -5.593 1.00 . A A . 94 LEU HD21 1 1
1 1427 1 1 94 LEU HD22 H -0.832 -0.676 -5.522 1.00 . A A . 94 LEU HD22 1 1
1 1428 1 1 94 LEU HD23 H -0.122 -1.644 -4.218 1.00 . A A . 94 LEU HD23 1 1
1 1429 1 1 94 LEU HG H -3.090 -1.483 -4.881 1.00 . A A . 94 LEU HG 1 1
1 1430 1 1 94 LEU N N -3.393 -4.024 -5.011 1.00 . A A . 94 LEU N 1 1
1 1431 1 1 94 LEU O O -1.674 -5.698 -2.381 1.00 . A A . 94 LEU O 1 1
1 1432 1 1 95 LYS C C -3.593 -8.126 -2.583 1.00 . A A . 95 LYS C 1 1
1 1433 1 1 95 LYS CA C -4.179 -6.795 -2.109 1.00 . A A . 95 LYS CA 1 1
1 1434 1 1 95 LYS CB C -5.707 -6.872 -2.089 1.00 . A A . 95 LYS CB 1 1
1 1435 1 1 95 LYS CD C -7.807 -7.427 -1.001 1.00 . A A . 95 LYS CD 1 1
1 1436 1 1 95 LYS CE C -8.538 -8.079 0.166 1.00 . A A . 95 LYS CE 1 1
1 1437 1 1 95 LYS CG C -6.294 -7.634 -0.906 1.00 . A A . 95 LYS CG 1 1
1 1438 1 1 95 LYS H H -4.567 -5.294 -3.549 1.00 . A A . 95 LYS H 1 1
1 1439 1 1 95 LYS HA H -3.771 -6.521 -1.126 1.00 . A A . 95 LYS HA 1 1
1 1440 1 1 95 LYS HB2 H -6.104 -5.856 -2.074 1.00 . A A . 95 LYS HB2 1 1
1 1441 1 1 95 LYS HB3 H -6.047 -7.361 -3.002 1.00 . A A . 95 LYS HB3 1 1
1 1442 1 1 95 LYS HD2 H -8.016 -6.355 -0.983 1.00 . A A . 95 LYS HD2 1 1
1 1443 1 1 95 LYS HD3 H -8.174 -7.839 -1.943 1.00 . A A . 95 LYS HD3 1 1
1 1444 1 1 95 LYS HE2 H -8.374 -9.159 0.137 1.00 . A A . 95 LYS HE2 1 1
1 1445 1 1 95 LYS HE3 H -8.121 -7.684 1.094 1.00 . A A . 95 LYS HE3 1 1
1 1446 1 1 95 LYS HG2 H -6.050 -8.695 -0.975 1.00 . A A . 95 LYS HG2 1 1
1 1447 1 1 95 LYS HG3 H -5.915 -7.220 0.029 1.00 . A A . 95 LYS HG3 1 1
1 1448 1 1 95 LYS HZ1 H -10.133 -6.831 -0.249 1.00 . A A . 95 LYS HZ1 1 1
1 1449 1 1 95 LYS HZ2 H -10.443 -8.401 -0.556 1.00 . A A . 95 LYS HZ2 1 1
1 1450 1 1 95 LYS HZ3 H -10.411 -7.863 1.005 1.00 . A A . 95 LYS HZ3 1 1
1 1451 1 1 95 LYS N N -3.830 -5.713 -2.992 1.00 . A A . 95 LYS N 1 1
1 1452 1 1 95 LYS NZ N -9.985 -7.775 0.093 1.00 . A A . 95 LYS NZ 1 1
1 1453 1 1 95 LYS O O -3.434 -9.026 -1.764 1.00 . A A . 95 LYS O 1 1
1 1454 1 1 96 THR C C -1.221 -9.552 -3.632 1.00 . A A . 96 THR C 1 1
1 1455 1 1 96 THR CA C -2.587 -9.531 -4.271 1.00 . A A . 96 THR CA 1 1
1 1456 1 1 96 THR CB C -2.412 -9.700 -5.789 1.00 . A A . 96 THR CB 1 1
1 1457 1 1 96 THR CG2 C -3.429 -9.011 -6.695 1.00 . A A . 96 THR CG2 1 1
1 1458 1 1 96 THR H H -3.262 -7.542 -4.525 1.00 . A A . 96 THR H 1 1
1 1459 1 1 96 THR HA H -3.172 -10.368 -3.888 1.00 . A A . 96 THR HA 1 1
1 1460 1 1 96 THR HB H -2.482 -10.764 -5.937 1.00 . A A . 96 THR HB 1 1
1 1461 1 1 96 THR HG1 H -1.164 -9.022 -7.140 1.00 . A A . 96 THR HG1 1 1
1 1462 1 1 96 THR HG21 H -3.153 -7.970 -6.830 1.00 . A A . 96 THR HG21 1 1
1 1463 1 1 96 THR HG22 H -3.409 -9.487 -7.676 1.00 . A A . 96 THR HG22 1 1
1 1464 1 1 96 THR HG23 H -4.433 -9.078 -6.279 1.00 . A A . 96 THR HG23 1 1
1 1465 1 1 96 THR N N -3.233 -8.294 -3.863 1.00 . A A . 96 THR N 1 1
1 1466 1 1 96 THR O O -0.765 -10.546 -3.094 1.00 . A A . 96 THR O 1 1
1 1467 1 1 96 THR OG1 O -1.125 -9.331 -6.233 1.00 . A A . 96 THR OG1 1 1
1 1468 1 1 97 THR C C 0.788 -8.546 -1.628 1.00 . A A . 97 THR C 1 1
1 1469 1 1 97 THR CA C 0.805 -8.447 -3.154 1.00 . A A . 97 THR CA 1 1
1 1470 1 1 97 THR CB C 1.469 -7.203 -3.731 1.00 . A A . 97 THR CB 1 1
1 1471 1 1 97 THR CG2 C 2.904 -7.015 -3.267 1.00 . A A . 97 THR CG2 1 1
1 1472 1 1 97 THR H H -0.850 -7.664 -4.230 1.00 . A A . 97 THR H 1 1
1 1473 1 1 97 THR HA H 1.272 -9.359 -3.535 1.00 . A A . 97 THR HA 1 1
1 1474 1 1 97 THR HB H 0.864 -6.345 -3.450 1.00 . A A . 97 THR HB 1 1
1 1475 1 1 97 THR HG1 H 1.196 -6.459 -5.506 1.00 . A A . 97 THR HG1 1 1
1 1476 1 1 97 THR HG21 H 3.457 -7.951 -3.360 1.00 . A A . 97 THR HG21 1 1
1 1477 1 1 97 THR HG22 H 3.389 -6.243 -3.860 1.00 . A A . 97 THR HG22 1 1
1 1478 1 1 97 THR HG23 H 2.879 -6.693 -2.236 1.00 . A A . 97 THR HG23 1 1
1 1479 1 1 97 THR N N -0.537 -8.429 -3.653 1.00 . A A . 97 THR N 1 1
1 1480 1 1 97 THR O O 1.751 -9.027 -1.038 1.00 . A A . 97 THR O 1 1
1 1481 1 1 97 THR OG1 O 1.450 -7.308 -5.136 1.00 . A A . 97 THR OG1 1 1
1 1482 1 1 98 ARG C C -1.081 -9.969 0.631 1.00 . A A . 98 ARG C 1 1
1 1483 1 1 98 ARG CA C -0.501 -8.559 0.432 1.00 . A A . 98 ARG CA 1 1
1 1484 1 1 98 ARG CB C -1.310 -7.472 1.177 1.00 . A A . 98 ARG CB 1 1
1 1485 1 1 98 ARG CD C -3.664 -7.081 2.331 1.00 . A A . 98 ARG CD 1 1
1 1486 1 1 98 ARG CG C -2.765 -7.884 1.403 1.00 . A A . 98 ARG CG 1 1
1 1487 1 1 98 ARG CZ C -5.218 -8.246 3.932 1.00 . A A . 98 ARG CZ 1 1
1 1488 1 1 98 ARG H H -1.098 -7.794 -1.495 1.00 . A A . 98 ARG H 1 1
1 1489 1 1 98 ARG HA H 0.492 -8.575 0.890 1.00 . A A . 98 ARG HA 1 1
1 1490 1 1 98 ARG HB2 H -0.857 -7.351 2.157 1.00 . A A . 98 ARG HB2 1 1
1 1491 1 1 98 ARG HB3 H -1.264 -6.527 0.634 1.00 . A A . 98 ARG HB3 1 1
1 1492 1 1 98 ARG HD2 H -3.093 -6.774 3.209 1.00 . A A . 98 ARG HD2 1 1
1 1493 1 1 98 ARG HD3 H -4.076 -6.212 1.816 1.00 . A A . 98 ARG HD3 1 1
1 1494 1 1 98 ARG HE H -4.819 -8.783 2.043 1.00 . A A . 98 ARG HE 1 1
1 1495 1 1 98 ARG HG2 H -3.259 -8.013 0.447 1.00 . A A . 98 ARG HG2 1 1
1 1496 1 1 98 ARG HG3 H -2.748 -8.835 1.912 1.00 . A A . 98 ARG HG3 1 1
1 1497 1 1 98 ARG HH11 H -4.898 -6.349 4.557 1.00 . A A . 98 ARG HH11 1 1
1 1498 1 1 98 ARG HH12 H -5.570 -7.385 5.766 1.00 . A A . 98 ARG HH12 1 1
1 1499 1 1 98 ARG HH21 H -5.654 -10.216 3.585 1.00 . A A . 98 ARG HH21 1 1
1 1500 1 1 98 ARG HH22 H -6.128 -9.634 5.136 1.00 . A A . 98 ARG HH22 1 1
1 1501 1 1 98 ARG N N -0.335 -8.217 -0.977 1.00 . A A . 98 ARG N 1 1
1 1502 1 1 98 ARG NE N -4.721 -8.034 2.713 1.00 . A A . 98 ARG NE 1 1
1 1503 1 1 98 ARG NH1 N -5.204 -7.276 4.836 1.00 . A A . 98 ARG NH1 1 1
1 1504 1 1 98 ARG NH2 N -5.723 -9.444 4.232 1.00 . A A . 98 ARG NH2 1 1
1 1505 1 1 98 ARG O O -1.162 -10.412 1.765 1.00 . A A . 98 ARG O 1 1
1 1506 1 1 99 ASN C C -1.277 -13.067 -0.807 1.00 . A A . 99 ASN C 1 1
1 1507 1 1 99 ASN CA C -2.171 -11.997 -0.197 1.00 . A A . 99 ASN CA 1 1
1 1508 1 1 99 ASN CB C -3.592 -12.055 -0.780 1.00 . A A . 99 ASN CB 1 1
1 1509 1 1 99 ASN CG C -4.299 -13.328 -0.324 1.00 . A A . 99 ASN CG 1 1
1 1510 1 1 99 ASN H H -1.617 -10.242 -1.296 1.00 . A A . 99 ASN H 1 1
1 1511 1 1 99 ASN HA H -2.249 -12.213 0.870 1.00 . A A . 99 ASN HA 1 1
1 1512 1 1 99 ASN HB2 H -4.162 -11.200 -0.422 1.00 . A A . 99 ASN HB2 1 1
1 1513 1 1 99 ASN HB3 H -3.558 -12.015 -1.868 1.00 . A A . 99 ASN HB3 1 1
1 1514 1 1 99 ASN HD21 H -5.476 -13.459 -2.002 1.00 . A A . 99 ASN HD21 1 1
1 1515 1 1 99 ASN HD22 H -5.664 -14.702 -0.778 1.00 . A A . 99 ASN HD22 1 1
1 1516 1 1 99 ASN N N -1.570 -10.674 -0.388 1.00 . A A . 99 ASN N 1 1
1 1517 1 1 99 ASN ND2 N -5.219 -13.862 -1.116 1.00 . A A . 99 ASN ND2 1 1
1 1518 1 1 99 ASN O O -0.724 -13.908 -0.104 1.00 . A A . 99 ASN O 1 1
1 1519 1 1 99 ASN OD1 O -4.040 -13.830 0.760 1.00 . A A . 99 ASN OD1 1 1
1 1520 1 1 100 ALA C C 1.249 -13.689 -2.257 1.00 . A A . 100 ALA C 1 1
1 1521 1 1 100 ALA CA C -0.148 -13.856 -2.829 1.00 . A A . 100 ALA CA 1 1
1 1522 1 1 100 ALA CB C -0.129 -13.521 -4.324 1.00 . A A . 100 ALA CB 1 1
1 1523 1 1 100 ALA H H -1.469 -12.202 -2.620 1.00 . A A . 100 ALA H 1 1
1 1524 1 1 100 ALA HA H -0.447 -14.896 -2.696 1.00 . A A . 100 ALA HA 1 1
1 1525 1 1 100 ALA HB1 H -0.663 -12.594 -4.521 1.00 . A A . 100 ALA HB1 1 1
1 1526 1 1 100 ALA HB2 H 0.901 -13.397 -4.662 1.00 . A A . 100 ALA HB2 1 1
1 1527 1 1 100 ALA HB3 H -0.589 -14.334 -4.884 1.00 . A A . 100 ALA HB3 1 1
1 1528 1 1 100 ALA N N -1.085 -13.000 -2.123 1.00 . A A . 100 ALA N 1 1
1 1529 1 1 100 ALA O O 1.857 -14.672 -1.830 1.00 . A A . 100 ALA O 1 1
1 1530 1 1 101 TYR C C 3.316 -12.648 -0.369 1.00 . A A . 101 TYR C 1 1
1 1531 1 1 101 TYR CA C 3.181 -12.363 -1.853 1.00 . A A . 101 TYR CA 1 1
1 1532 1 1 101 TYR CB C 3.820 -11.022 -2.229 1.00 . A A . 101 TYR CB 1 1
1 1533 1 1 101 TYR CD1 C 5.818 -12.226 -3.317 1.00 . A A . 101 TYR CD1 1 1
1 1534 1 1 101 TYR CD2 C 6.094 -9.969 -2.468 1.00 . A A . 101 TYR CD2 1 1
1 1535 1 1 101 TYR CE1 C 7.150 -12.241 -3.756 1.00 . A A . 101 TYR CE1 1 1
1 1536 1 1 101 TYR CE2 C 7.437 -10.002 -2.879 1.00 . A A . 101 TYR CE2 1 1
1 1537 1 1 101 TYR CG C 5.272 -11.088 -2.680 1.00 . A A . 101 TYR CG 1 1
1 1538 1 1 101 TYR CZ C 7.956 -11.105 -3.572 1.00 . A A . 101 TYR CZ 1 1
1 1539 1 1 101 TYR H H 1.320 -11.663 -2.670 1.00 . A A . 101 TYR H 1 1
1 1540 1 1 101 TYR HA H 3.687 -13.166 -2.360 1.00 . A A . 101 TYR HA 1 1
1 1541 1 1 101 TYR HB2 H 3.242 -10.553 -3.025 1.00 . A A . 101 TYR HB2 1 1
1 1542 1 1 101 TYR HB3 H 3.770 -10.371 -1.355 1.00 . A A . 101 TYR HB3 1 1
1 1543 1 1 101 TYR HD1 H 5.244 -13.110 -3.517 1.00 . A A . 101 TYR HD1 1 1
1 1544 1 1 101 TYR HD2 H 5.687 -9.092 -1.987 1.00 . A A . 101 TYR HD2 1 1
1 1545 1 1 101 TYR HE1 H 7.567 -13.114 -4.233 1.00 . A A . 101 TYR HE1 1 1
1 1546 1 1 101 TYR HE2 H 8.116 -9.211 -2.665 1.00 . A A . 101 TYR HE2 1 1
1 1547 1 1 101 TYR HH H 9.675 -10.237 -3.902 1.00 . A A . 101 TYR HH 1 1
1 1548 1 1 101 TYR N N 1.798 -12.467 -2.279 1.00 . A A . 101 TYR N 1 1
1 1549 1 1 101 TYR O O 4.345 -13.162 0.067 1.00 . A A . 101 TYR O 1 1
1 1550 1 1 101 TYR OH O 9.235 -11.079 -4.035 1.00 . A A . 101 TYR OH 1 1
1 1551 1 1 102 HIS C C 2.398 -14.355 1.861 1.00 . A A . 102 HIS C 1 1
1 1552 1 1 102 HIS CA C 2.247 -12.840 1.775 1.00 . A A . 102 HIS CA 1 1
1 1553 1 1 102 HIS CB C 0.966 -12.429 2.492 1.00 . A A . 102 HIS CB 1 1
1 1554 1 1 102 HIS CD2 C 1.929 -10.176 3.425 1.00 . A A . 102 HIS CD2 1 1
1 1555 1 1 102 HIS CE1 C 0.226 -9.654 4.709 1.00 . A A . 102 HIS CE1 1 1
1 1556 1 1 102 HIS CG C 0.992 -11.180 3.345 1.00 . A A . 102 HIS CG 1 1
1 1557 1 1 102 HIS H H 1.390 -12.078 -0.022 1.00 . A A . 102 HIS H 1 1
1 1558 1 1 102 HIS HA H 3.112 -12.375 2.244 1.00 . A A . 102 HIS HA 1 1
1 1559 1 1 102 HIS HB2 H 0.168 -12.363 1.760 1.00 . A A . 102 HIS HB2 1 1
1 1560 1 1 102 HIS HB3 H 0.678 -13.241 3.154 1.00 . A A . 102 HIS HB3 1 1
1 1561 1 1 102 HIS HD1 H -0.949 -11.309 4.180 1.00 . A A . 102 HIS HD1 1 1
1 1562 1 1 102 HIS HD2 H 2.864 -10.127 2.888 1.00 . A A . 102 HIS HD2 1 1
1 1563 1 1 102 HIS HE1 H -0.457 -9.141 5.365 1.00 . A A . 102 HIS HE1 1 1
1 1564 1 1 102 HIS N N 2.243 -12.423 0.394 1.00 . A A . 102 HIS N 1 1
1 1565 1 1 102 HIS ND1 N -0.055 -10.840 4.164 1.00 . A A . 102 HIS ND1 1 1
1 1566 1 1 102 HIS NE2 N 1.436 -9.215 4.325 1.00 . A A . 102 HIS NE2 1 1
1 1567 1 1 102 HIS O O 3.143 -14.818 2.702 1.00 . A A . 102 HIS O 1 1
1 1568 1 1 103 GLN C C 3.521 -16.909 0.999 1.00 . A A . 103 GLN C 1 1
1 1569 1 1 103 GLN CA C 2.030 -16.601 1.133 1.00 . A A . 103 GLN CA 1 1
1 1570 1 1 103 GLN CB C 1.349 -17.444 0.061 1.00 . A A . 103 GLN CB 1 1
1 1571 1 1 103 GLN CD C -0.544 -18.912 -0.429 1.00 . A A . 103 GLN CD 1 1
1 1572 1 1 103 GLN CG C -0.175 -17.520 0.078 1.00 . A A . 103 GLN CG 1 1
1 1573 1 1 103 GLN H H 1.114 -14.809 0.325 1.00 . A A . 103 GLN H 1 1
1 1574 1 1 103 GLN HA H 1.699 -16.933 2.120 1.00 . A A . 103 GLN HA 1 1
1 1575 1 1 103 GLN HB2 H 1.682 -17.127 -0.926 1.00 . A A . 103 GLN HB2 1 1
1 1576 1 1 103 GLN HB3 H 1.724 -18.458 0.219 1.00 . A A . 103 GLN HB3 1 1
1 1577 1 1 103 GLN HE21 H -1.350 -19.485 1.360 1.00 . A A . 103 GLN HE21 1 1
1 1578 1 1 103 GLN HE22 H -1.212 -20.712 0.109 1.00 . A A . 103 GLN HE22 1 1
1 1579 1 1 103 GLN HG2 H -0.558 -17.368 1.088 1.00 . A A . 103 GLN HG2 1 1
1 1580 1 1 103 GLN HG3 H -0.590 -16.760 -0.586 1.00 . A A . 103 GLN HG3 1 1
1 1581 1 1 103 GLN N N 1.769 -15.169 1.009 1.00 . A A . 103 GLN N 1 1
1 1582 1 1 103 GLN NE2 N -1.104 -19.761 0.423 1.00 . A A . 103 GLN NE2 1 1
1 1583 1 1 103 GLN O O 4.035 -17.783 1.697 1.00 . A A . 103 GLN O 1 1
1 1584 1 1 103 GLN OE1 O -0.242 -19.264 -1.562 1.00 . A A . 103 GLN OE1 1 1
1 1585 1 1 104 LYS C C 6.404 -16.112 1.197 1.00 . A A . 104 LYS C 1 1
1 1586 1 1 104 LYS CA C 5.654 -16.533 -0.053 1.00 . A A . 104 LYS CA 1 1
1 1587 1 1 104 LYS CB C 6.318 -15.817 -1.229 1.00 . A A . 104 LYS CB 1 1
1 1588 1 1 104 LYS CD C 5.000 -17.104 -3.048 1.00 . A A . 104 LYS CD 1 1
1 1589 1 1 104 LYS CE C 4.459 -16.786 -4.447 1.00 . A A . 104 LYS CE 1 1
1 1590 1 1 104 LYS CG C 5.524 -15.770 -2.525 1.00 . A A . 104 LYS CG 1 1
1 1591 1 1 104 LYS H H 3.803 -15.460 -0.412 1.00 . A A . 104 LYS H 1 1
1 1592 1 1 104 LYS HA H 5.759 -17.607 -0.194 1.00 . A A . 104 LYS HA 1 1
1 1593 1 1 104 LYS HB2 H 6.523 -14.784 -0.948 1.00 . A A . 104 LYS HB2 1 1
1 1594 1 1 104 LYS HB3 H 7.277 -16.303 -1.417 1.00 . A A . 104 LYS HB3 1 1
1 1595 1 1 104 LYS HD2 H 5.812 -17.831 -3.089 1.00 . A A . 104 LYS HD2 1 1
1 1596 1 1 104 LYS HD3 H 4.194 -17.474 -2.410 1.00 . A A . 104 LYS HD3 1 1
1 1597 1 1 104 LYS HE2 H 3.404 -16.514 -4.362 1.00 . A A . 104 LYS HE2 1 1
1 1598 1 1 104 LYS HE3 H 4.996 -15.919 -4.839 1.00 . A A . 104 LYS HE3 1 1
1 1599 1 1 104 LYS HG2 H 4.680 -15.102 -2.389 1.00 . A A . 104 LYS HG2 1 1
1 1600 1 1 104 LYS HG3 H 6.192 -15.351 -3.277 1.00 . A A . 104 LYS HG3 1 1
1 1601 1 1 104 LYS HZ1 H 5.615 -18.029 -5.599 1.00 . A A . 104 LYS HZ1 1 1
1 1602 1 1 104 LYS HZ2 H 4.263 -18.759 -4.998 1.00 . A A . 104 LYS HZ2 1 1
1 1603 1 1 104 LYS HZ3 H 4.145 -17.701 -6.255 1.00 . A A . 104 LYS HZ3 1 1
1 1604 1 1 104 LYS N N 4.238 -16.217 0.104 1.00 . A A . 104 LYS N 1 1
1 1605 1 1 104 LYS NZ N 4.632 -17.906 -5.393 1.00 . A A . 104 LYS NZ 1 1
1 1606 1 1 104 LYS O O 7.255 -16.841 1.699 1.00 . A A . 104 LYS O 1 1
1 1607 1 1 105 TYR C C 6.235 -13.714 3.863 1.00 . A A . 105 TYR C 1 1
1 1608 1 1 105 TYR CA C 6.927 -14.178 2.599 1.00 . A A . 105 TYR CA 1 1
1 1609 1 1 105 TYR CB C 7.532 -13.031 1.796 1.00 . A A . 105 TYR CB 1 1
1 1610 1 1 105 TYR CD1 C 9.391 -14.571 0.997 1.00 . A A . 105 TYR CD1 1 1
1 1611 1 1 105 TYR CD2 C 8.545 -12.861 -0.514 1.00 . A A . 105 TYR CD2 1 1
1 1612 1 1 105 TYR CE1 C 10.322 -14.980 0.034 1.00 . A A . 105 TYR CE1 1 1
1 1613 1 1 105 TYR CE2 C 9.533 -13.222 -1.447 1.00 . A A . 105 TYR CE2 1 1
1 1614 1 1 105 TYR CG C 8.503 -13.506 0.734 1.00 . A A . 105 TYR CG 1 1
1 1615 1 1 105 TYR CZ C 10.443 -14.258 -1.163 1.00 . A A . 105 TYR CZ 1 1
1 1616 1 1 105 TYR H H 5.269 -14.446 1.336 1.00 . A A . 105 TYR H 1 1
1 1617 1 1 105 TYR HA H 7.738 -14.806 2.934 1.00 . A A . 105 TYR HA 1 1
1 1618 1 1 105 TYR HB2 H 6.725 -12.455 1.341 1.00 . A A . 105 TYR HB2 1 1
1 1619 1 1 105 TYR HB3 H 8.079 -12.370 2.468 1.00 . A A . 105 TYR HB3 1 1
1 1620 1 1 105 TYR HD1 H 9.413 -15.084 1.943 1.00 . A A . 105 TYR HD1 1 1
1 1621 1 1 105 TYR HD2 H 7.845 -12.068 -0.739 1.00 . A A . 105 TYR HD2 1 1
1 1622 1 1 105 TYR HE1 H 11.008 -15.786 0.243 1.00 . A A . 105 TYR HE1 1 1
1 1623 1 1 105 TYR HE2 H 9.630 -12.707 -2.383 1.00 . A A . 105 TYR HE2 1 1
1 1624 1 1 105 TYR HH H 12.210 -13.910 -1.848 1.00 . A A . 105 TYR HH 1 1
1 1625 1 1 105 TYR N N 6.049 -14.950 1.739 1.00 . A A . 105 TYR N 1 1
1 1626 1 1 105 TYR O O 6.706 -12.785 4.506 1.00 . A A . 105 TYR O 1 1
1 1627 1 1 105 TYR OH O 11.479 -14.516 -2.002 1.00 . A A . 105 TYR OH 1 1
1 1628 1 1 106 ARG C C 3.661 -15.389 5.927 1.00 . A A . 106 ARG C 1 1
1 1629 1 1 106 ARG CA C 4.309 -14.128 5.363 1.00 . A A . 106 ARG CA 1 1
1 1630 1 1 106 ARG CB C 3.749 -12.705 5.272 1.00 . A A . 106 ARG CB 1 1
1 1631 1 1 106 ARG CD C 1.930 -13.260 7.009 1.00 . A A . 106 ARG CD 1 1
1 1632 1 1 106 ARG CG C 2.773 -12.214 6.328 1.00 . A A . 106 ARG CG 1 1
1 1633 1 1 106 ARG CZ C 0.006 -13.451 8.458 1.00 . A A . 106 ARG CZ 1 1
1 1634 1 1 106 ARG H H 4.896 -15.254 3.775 1.00 . A A . 106 ARG H 1 1
1 1635 1 1 106 ARG HA H 4.901 -13.987 6.153 1.00 . A A . 106 ARG HA 1 1
1 1636 1 1 106 ARG HB2 H 4.646 -12.034 5.389 1.00 . A A . 106 ARG HB2 1 1
1 1637 1 1 106 ARG HB3 H 3.268 -12.606 4.308 1.00 . A A . 106 ARG HB3 1 1
1 1638 1 1 106 ARG HD2 H 1.715 -14.081 6.332 1.00 . A A . 106 ARG HD2 1 1
1 1639 1 1 106 ARG HD3 H 2.527 -13.564 7.868 1.00 . A A . 106 ARG HD3 1 1
1 1640 1 1 106 ARG HE H 0.250 -11.985 7.026 1.00 . A A . 106 ARG HE 1 1
1 1641 1 1 106 ARG HG2 H 3.384 -11.831 7.117 1.00 . A A . 106 ARG HG2 1 1
1 1642 1 1 106 ARG HG3 H 2.161 -11.413 5.924 1.00 . A A . 106 ARG HG3 1 1
1 1643 1 1 106 ARG HH11 H 1.533 -14.775 8.779 1.00 . A A . 106 ARG HH11 1 1
1 1644 1 1 106 ARG HH12 H 0.186 -14.969 9.844 1.00 . A A . 106 ARG HH12 1 1
1 1645 1 1 106 ARG HH21 H -1.699 -12.344 8.310 1.00 . A A . 106 ARG HH21 1 1
1 1646 1 1 106 ARG HH22 H -1.739 -13.584 9.511 1.00 . A A . 106 ARG HH22 1 1
1 1647 1 1 106 ARG N N 5.169 -14.411 4.250 1.00 . A A . 106 ARG N 1 1
1 1648 1 1 106 ARG NE N 0.652 -12.777 7.502 1.00 . A A . 106 ARG NE 1 1
1 1649 1 1 106 ARG NH1 N 0.603 -14.479 9.070 1.00 . A A . 106 ARG NH1 1 1
1 1650 1 1 106 ARG NH2 N -1.239 -13.108 8.778 1.00 . A A . 106 ARG NH2 1 1
1 1651 1 1 106 ARG O O 3.473 -15.444 7.163 1.00 . A A . 106 ARG O 1 1
1 1652 1 1 106 ARG OXT O 3.593 -16.371 5.160 1.00 . A A . 106 ARG OXT 1 1
1 1653 2 2 1 HEM C1A C 1.226 -8.250 7.755 1.00 . B A . 107 HEM C1A 1 1
1 1654 2 2 1 HEM C1B C -0.156 -5.832 4.532 1.00 . B A . 107 HEM C1B 1 1
1 1655 2 2 1 HEM C1C C 3.427 -6.904 2.311 1.00 . B A . 107 HEM C1C 1 1
1 1656 2 2 1 HEM C1D C 4.870 -9.139 5.664 1.00 . B A . 107 HEM C1D 1 1
1 1657 2 2 1 HEM C2A C 0.107 -8.117 8.630 1.00 . B A . 107 HEM C2A 1 1
1 1658 2 2 1 HEM C2B C -0.669 -4.922 3.536 1.00 . B A . 107 HEM C2B 1 1
1 1659 2 2 1 HEM C2C C 4.529 -7.184 1.431 1.00 . B A . 107 HEM C2C 1 1
1 1660 2 2 1 HEM C2D C 5.437 -9.871 6.774 1.00 . B A . 107 HEM C2D 1 1
1 1661 2 2 1 HEM C3A C -0.757 -7.265 8.011 1.00 . B A . 107 HEM C3A 1 1
1 1662 2 2 1 HEM C3B C 0.206 -4.945 2.470 1.00 . B A . 107 HEM C3B 1 1
1 1663 2 2 1 HEM C3C C 5.431 -7.971 2.114 1.00 . B A . 107 HEM C3C 1 1
1 1664 2 2 1 HEM C3D C 4.524 -9.875 7.778 1.00 . B A . 107 HEM C3D 1 1
1 1665 2 2 1 HEM C4A C -0.191 -6.899 6.728 1.00 . B A . 107 HEM C4A 1 1
1 1666 2 2 1 HEM C4B C 1.260 -5.860 2.806 1.00 . B A . 107 HEM C4B 1 1
1 1667 2 2 1 HEM C4C C 4.860 -8.208 3.420 1.00 . B A . 107 HEM C4C 1 1
1 1668 2 2 1 HEM C4D C 3.412 -9.117 7.329 1.00 . B A . 107 HEM C4D 1 1
1 1669 2 2 1 HEM CAA C 0.025 -8.751 10.003 1.00 . B A . 107 HEM CAA 1 1
1 1670 2 2 1 HEM CAB C 0.182 -4.178 1.173 1.00 . B A . 107 HEM CAB 1 1
1 1671 2 2 1 HEM CAC C 6.755 -8.516 1.615 1.00 . B A . 107 HEM CAC 1 1
1 1672 2 2 1 HEM CAD C 4.537 -10.691 9.042 1.00 . B A . 107 HEM CAD 1 1
1 1673 2 2 1 HEM CBA C -0.643 -8.068 11.217 1.00 . B A . 107 HEM CBA 1 1
1 1674 2 2 1 HEM CBB C -1.055 -3.366 0.836 1.00 . B A . 107 HEM CBB 1 1
1 1675 2 2 1 HEM CBC C 7.420 -7.741 0.480 1.00 . B A . 107 HEM CBC 1 1
1 1676 2 2 1 HEM CBD C 5.019 -9.893 10.237 1.00 . B A . 107 HEM CBD 1 1
1 1677 2 2 1 HEM CGA C -0.866 -9.024 12.375 1.00 . B A . 107 HEM CGA 1 1
1 1678 2 2 1 HEM CGD C 4.080 -10.031 11.412 1.00 . B A . 107 HEM CGD 1 1
1 1679 2 2 1 HEM CHA C 2.314 -8.973 8.107 1.00 . B A . 107 HEM CHA 1 1
1 1680 2 2 1 HEM CHB C -0.757 -6.058 5.779 1.00 . B A . 107 HEM CHB 1 1
1 1681 2 2 1 HEM CHC C 2.335 -6.110 1.965 1.00 . B A . 107 HEM CHC 1 1
1 1682 2 2 1 HEM CHD C 5.465 -8.968 4.422 1.00 . B A . 107 HEM CHD 1 1
1 1683 2 2 1 HEM CMA C -2.005 -6.837 8.669 1.00 . B A . 107 HEM CMA 1 1
1 1684 2 2 1 HEM CMB C -1.853 -4.028 3.762 1.00 . B A . 107 HEM CMB 1 1
1 1685 2 2 1 HEM CMC C 4.516 -6.824 -0.022 1.00 . B A . 107 HEM CMC 1 1
1 1686 2 2 1 HEM CMD C 6.738 -10.558 6.920 1.00 . B A . 107 HEM CMD 1 1
1 1687 2 2 1 HEM FE FE 2.258 -7.553 5.013 1.00 . B A . 107 HEM FE 1 1
1 1688 2 2 1 HEM HAA1 H 0.999 -8.495 10.306 1.00 . B A . 107 HEM HAA1 1 1
1 1689 2 2 1 HEM HAA2 H 0.074 -9.856 9.977 1.00 . B A . 107 HEM HAA2 1 1
1 1690 2 2 1 HEM HAB H 0.456 -4.822 0.331 1.00 . B A . 107 HEM HAB 1 1
1 1691 2 2 1 HEM HAC H 7.464 -8.578 2.440 1.00 . B A . 107 HEM HAC 1 1
1 1692 2 2 1 HEM HAD1 H 4.910 -11.691 9.020 1.00 . B A . 107 HEM HAD1 1 1
1 1693 2 2 1 HEM HAD2 H 3.545 -11.020 9.192 1.00 . B A . 107 HEM HAD2 1 1
1 1694 2 2 1 HEM HBA1 H -1.591 -7.597 11.021 1.00 . B A . 107 HEM HBA1 1 1
1 1695 2 2 1 HEM HBA2 H 0.034 -7.278 11.560 1.00 . B A . 107 HEM HBA2 1 1
1 1696 2 2 1 HEM HBB1 H -1.958 -3.953 0.983 1.00 . B A . 107 HEM HBB1 1 1
1 1697 2 2 1 HEM HBB2 H -0.961 -3.086 -0.205 1.00 . B A . 107 HEM HBB2 1 1
1 1698 2 2 1 HEM HBC1 H 7.525 -6.692 0.758 1.00 . B A . 107 HEM HBC1 1 1
1 1699 2 2 1 HEM HBC2 H 8.402 -8.170 0.276 1.00 . B A . 107 HEM HBC2 1 1
1 1700 2 2 1 HEM HBD1 H 4.974 -8.851 9.953 1.00 . B A . 107 HEM HBD1 1 1
1 1701 2 2 1 HEM HBD2 H 6.036 -10.179 10.508 1.00 . B A . 107 HEM HBD2 1 1
1 1702 2 2 1 HEM HHA H 2.334 -9.411 9.085 1.00 . B A . 107 HEM HHA 1 1
1 1703 2 2 1 HEM HHB H -1.686 -5.569 6.019 1.00 . B A . 107 HEM HHB 1 1
1 1704 2 2 1 HEM HHC H 2.316 -5.623 1.005 1.00 . B A . 107 HEM HHC 1 1
1 1705 2 2 1 HEM HHD H 6.418 -9.439 4.239 1.00 . B A . 107 HEM HHD 1 1
1 1706 2 2 1 HEM HMA1 H -1.677 -6.140 9.440 1.00 . B A . 107 HEM HMA1 1 1
1 1707 2 2 1 HEM HMA2 H -2.746 -6.429 7.988 1.00 . B A . 107 HEM HMA2 1 1
1 1708 2 2 1 HEM HMA3 H -2.345 -7.759 9.139 1.00 . B A . 107 HEM HMA3 1 1
1 1709 2 2 1 HEM HMB1 H -1.732 -3.646 4.768 1.00 . B A . 107 HEM HMB1 1 1
1 1710 2 2 1 HEM HMB2 H -1.898 -3.178 3.088 1.00 . B A . 107 HEM HMB2 1 1
1 1711 2 2 1 HEM HMB3 H -2.776 -4.598 3.706 1.00 . B A . 107 HEM HMB3 1 1
1 1712 2 2 1 HEM HMC1 H 4.603 -5.747 -0.139 1.00 . B A . 107 HEM HMC1 1 1
1 1713 2 2 1 HEM HMC2 H 5.288 -7.325 -0.593 1.00 . B A . 107 HEM HMC2 1 1
1 1714 2 2 1 HEM HMC3 H 3.540 -7.158 -0.366 1.00 . B A . 107 HEM HMC3 1 1
1 1715 2 2 1 HEM HMD1 H 7.470 -9.817 7.227 1.00 . B A . 107 HEM HMD1 1 1
1 1716 2 2 1 HEM HMD2 H 6.536 -11.273 7.724 1.00 . B A . 107 HEM HMD2 1 1
1 1717 2 2 1 HEM HMD3 H 7.033 -11.061 6.010 1.00 . B A . 107 HEM HMD3 1 1
1 1718 2 2 1 HEM NA N 1.007 -7.536 6.637 1.00 . B A . 107 HEM NA 1 1
1 1719 2 2 1 HEM NB N 1.002 -6.365 4.033 1.00 . B A . 107 HEM NB 1 1
1 1720 2 2 1 HEM NC N 3.649 -7.553 3.467 1.00 . B A . 107 HEM NC 1 1
1 1721 2 2 1 HEM ND N 3.652 -8.675 6.086 1.00 . B A . 107 HEM ND 1 1
1 1722 2 2 1 HEM O1A O -0.739 -8.550 13.523 1.00 . B A . 107 HEM O1A 1 1
1 1723 2 2 1 HEM O1D O 3.575 -8.969 11.830 1.00 . B A . 107 HEM O1D 1 1
1 1724 2 2 1 HEM O2A O -1.210 -10.192 12.089 1.00 . B A . 107 HEM O2A 1 1
1 1725 2 2 1 HEM O2D O 3.845 -11.190 11.812 1.00 . B A . 107 HEM O2D 1 1
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