NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
396251 |
1sf0   |
6187 | cing | 4-filtered-FRED | STAR | entry | full | 478 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1sf0
# This FRED archive file contains, for PDB entry <1sf0>:
#
# - 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_1sf0
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1sf0
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 4549.65
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 $hypothetical_protein_PF1061 A . 1 1
stop_
save_
save_hypothetical_protein_PF1061
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "hypothetical protein PF1061"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code AHHHHHHGSKMIKVKVIGRNIEKEIEWREGMKVRDILRAVGFNTESAIAKVNGKVVLEDDEVKDGDFVEVIPVVSGG
_Entity.Number_of_monomers 77
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 HIS . 1 1
3 HIS . 1 1
4 HIS . 1 1
5 HIS . 1 1
6 HIS . 1 1
7 HIS . 1 1
8 GLY . 1 1
9 SER . 1 1
10 LYS . 1 1
11 MET . 1 1
12 ILE . 1 1
13 LYS . 1 1
14 VAL . 1 1
15 LYS . 1 1
16 VAL . 1 1
17 ILE . 1 1
18 GLY . 1 1
19 ARG . 1 1
20 ASN . 1 1
21 ILE . 1 1
22 GLU . 1 1
23 LYS . 1 1
24 GLU . 1 1
25 ILE . 1 1
26 GLU . 1 1
27 TRP . 1 1
28 ARG . 1 1
29 GLU . 1 1
30 GLY . 1 1
31 MET . 1 1
32 LYS . 1 1
33 VAL . 1 1
34 ARG . 1 1
35 ASP . 1 1
36 ILE . 1 1
37 LEU . 1 1
38 ARG . 1 1
39 ALA . 1 1
40 VAL . 1 1
41 GLY . 1 1
42 PHE . 1 1
43 ASN . 1 1
44 THR . 1 1
45 GLU . 1 1
46 SER . 1 1
47 ALA . 1 1
48 ILE . 1 1
49 ALA . 1 1
50 LYS . 1 1
51 VAL . 1 1
52 ASN . 1 1
53 GLY . 1 1
54 LYS . 1 1
55 VAL . 1 1
56 VAL . 1 1
57 LEU . 1 1
58 GLU . 1 1
59 ASP . 1 1
60 ASP . 1 1
61 GLU . 1 1
62 VAL . 1 1
63 LYS . 1 1
64 ASP . 1 1
65 GLY . 1 1
66 ASP . 1 1
67 PHE . 1 1
68 VAL . 1 1
69 GLU . 1 1
70 VAL . 1 1
71 ILE . 1 1
72 PRO . 1 1
73 VAL . 1 1
74 VAL . 1 1
75 SER . 1 1
76 GLY . 1 1
77 GLY . 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
HIS 2 2 1 1
HIS 3 3 1 1
HIS 4 4 1 1
HIS 5 5 1 1
HIS 6 6 1 1
HIS 7 7 1 1
GLY 8 8 1 1
SER 9 9 1 1
LYS 10 10 1 1
MET 11 11 1 1
ILE 12 12 1 1
LYS 13 13 1 1
VAL 14 14 1 1
LYS 15 15 1 1
VAL 16 16 1 1
ILE 17 17 1 1
GLY 18 18 1 1
ARG 19 19 1 1
ASN 20 20 1 1
ILE 21 21 1 1
GLU 22 22 1 1
LYS 23 23 1 1
GLU 24 24 1 1
ILE 25 25 1 1
GLU 26 26 1 1
TRP 27 27 1 1
ARG 28 28 1 1
GLU 29 29 1 1
GLY 30 30 1 1
MET 31 31 1 1
LYS 32 32 1 1
VAL 33 33 1 1
ARG 34 34 1 1
ASP 35 35 1 1
ILE 36 36 1 1
LEU 37 37 1 1
ARG 38 38 1 1
ALA 39 39 1 1
VAL 40 40 1 1
GLY 41 41 1 1
PHE 42 42 1 1
ASN 43 43 1 1
THR 44 44 1 1
GLU 45 45 1 1
SER 46 46 1 1
ALA 47 47 1 1
ILE 48 48 1 1
ALA 49 49 1 1
LYS 50 50 1 1
VAL 51 51 1 1
ASN 52 52 1 1
GLY 53 53 1 1
LYS 54 54 1 1
VAL 55 55 1 1
VAL 56 56 1 1
LEU 57 57 1 1
GLU 58 58 1 1
ASP 59 59 1 1
ASP 60 60 1 1
GLU 61 61 1 1
VAL 62 62 1 1
LYS 63 63 1 1
ASP 64 64 1 1
GLY 65 65 1 1
ASP 66 66 1 1
PHE 67 67 1 1
VAL 68 68 1 1
GLU 69 69 1 1
VAL 70 70 1 1
ILE 71 71 1 1
PRO 72 72 1 1
VAL 73 73 1 1
VAL 74 74 1 1
SER 75 75 1 1
GLY 76 76 1 1
GLY 77 77 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
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 10 LYS H . 2 . HN 1 1
1 1 2 1 1 11 MET H . 3 . HN 1 1
2 1 1 1 1 10 LYS HA . 2 . HA 1 1
2 1 2 1 1 11 MET H . 3 . HN 1 1
3 1 1 1 1 11 MET HA . 3 . HA 1 1
3 1 2 1 1 12 ILE H . 4 . HN 1 1
4 1 1 1 1 12 ILE H . 4 . HN 1 1
4 1 2 1 1 13 LYS H . 5 . HN 1 1
5 1 1 1 1 12 ILE HA . 4 . HA 1 1
5 1 2 1 1 13 LYS H . 5 . HN 1 1
6 1 1 1 1 13 LYS H . 5 . HN 1 1
6 1 2 1 1 14 VAL H . 6 . HN 1 1
7 1 1 1 1 13 LYS H . 5 . HN 1 1
7 1 2 1 1 66 ASP H . 58 . HN 1 1
8 1 1 1 1 13 LYS H . 5 . HN 1 1
8 1 2 1 1 67 PHE HA . 59 . HA 1 1
9 1 1 1 1 13 LYS HA . 5 . HA 1 1
9 1 2 1 1 14 VAL H . 6 . HN 1 1
10 1 1 1 1 14 VAL H . 6 . HN 1 1
10 1 2 1 1 15 LYS H . 7 . HN 1 1
11 1 1 1 1 15 LYS H . 7 . HN 1 1
11 1 2 1 1 70 VAL H . 62 . HN 1 1
12 1 1 1 1 18 GLY H . 10 . HN 1 1
12 1 2 1 1 19 ARG H . 11 . HN 1 1
13 1 1 1 1 18 GLY HA2 . 10 . HA1 1 1
13 1 2 1 1 19 ARG H . 11 . HN 1 1
14 1 1 1 1 18 GLY HA3 . 10 . HA2 1 1
14 1 2 1 1 19 ARG H . 11 . HN 1 1
15 1 1 1 1 19 ARG H . 11 . HN 1 1
15 1 2 1 1 20 ASN H . 12 . HN 1 1
16 1 1 1 1 20 ASN H . 12 . HN 1 1
16 1 2 1 1 21 ILE H . 13 . HN 1 1
17 1 1 1 1 20 ASN HA . 12 . HA 1 1
17 1 2 1 1 21 ILE H . 13 . HN 1 1
18 1 1 1 1 28 ARG H . 20 . HN 1 1
18 1 2 1 1 29 GLU H . 21 . HN 1 1
19 1 1 1 1 28 ARG HA . 20 . HA 1 1
19 1 2 1 1 29 GLU H . 21 . HN 1 1
20 1 1 1 1 29 GLU HA . 21 . HA 1 1
20 1 2 1 1 30 GLY H . 22 . HN 1 1
21 1 1 1 1 30 GLY H . 22 . HN 1 1
21 1 2 1 1 31 MET H . 23 . HN 1 1
22 1 1 1 1 30 GLY HA3 . 22 . HA2 1 1
22 1 2 1 1 31 MET H . 23 . HN 1 1
23 1 1 1 1 31 MET H . 23 . HN 1 1
23 1 2 1 1 32 LYS H . 24 . HN 1 1
24 1 1 1 1 31 MET HA . 23 . HA 1 1
24 1 2 1 1 32 LYS H . 24 . HN 1 1
25 1 1 1 1 32 LYS HA . 24 . HA 1 1
25 1 2 1 1 33 VAL H . 25 . HN 1 1
26 1 1 1 1 32 LYS HA . 24 . HA 1 1
26 1 2 1 1 35 ASP H . 27 . HN 1 1
27 1 1 1 1 32 LYS HA . 24 . HA 1 1
27 1 2 1 1 61 GLU H . 53 . HN 1 1
28 1 1 1 1 33 VAL H . 25 . HN 1 1
28 1 2 1 1 62 VAL H . 54 . HN 1 1
29 1 1 1 1 33 VAL HA . 25 . HA 1 1
29 1 2 1 1 34 ARG H . 26 . HN 1 1
30 1 1 1 1 34 ARG H . 26 . HN 1 1
30 1 2 1 1 35 ASP H . 27 . HN 1 1
31 1 1 1 1 34 ARG H . 26 . HN 1 1
31 1 2 1 1 59 ASP HA . 51 . HA 1 1
32 1 1 1 1 35 ASP HA . 27 . HA 1 1
32 1 2 1 1 36 ILE H . 28 . HN 1 1
33 1 1 1 1 35 ASP HA . 27 . HA 1 1
33 1 2 1 1 38 ARG H . 30 . HN 1 1
34 1 1 1 1 36 ILE H . 28 . HN 1 1
34 1 2 1 1 37 LEU H . 29 . HN 1 1
35 1 1 1 1 36 ILE HA . 28 . HA 1 1
35 1 2 1 1 39 ALA H . 31 . HN 1 1
36 1 1 1 1 37 LEU HA . 29 . HA 1 1
36 1 2 1 1 38 ARG H . 30 . HN 1 1
37 1 1 1 1 38 ARG HA . 30 . HA 1 1
37 1 2 1 1 41 GLY H . 33 . HN 1 1
38 1 1 1 1 39 ALA H . 31 . HN 1 1
38 1 2 1 1 40 VAL H . 32 . HN 1 1
39 1 1 1 1 39 ALA HA . 31 . HA 1 1
39 1 2 1 1 40 VAL H . 32 . HN 1 1
40 1 1 1 1 39 ALA HA . 31 . HA 1 1
40 1 2 1 1 42 PHE H . 34 . HN 1 1
41 1 1 1 1 40 VAL H . 32 . HN 1 1
41 1 2 1 1 42 PHE H . 34 . HN 1 1
42 1 1 1 1 40 VAL HA . 32 . HA 1 1
42 1 2 1 1 41 GLY H . 33 . HN 1 1
43 1 1 1 1 41 GLY H . 33 . HN 1 1
43 1 2 1 1 42 PHE H . 34 . HN 1 1
44 1 1 1 1 41 GLY HA2 . 33 . HA1 1 1
44 1 2 1 1 42 PHE H . 34 . HN 1 1
45 1 1 1 1 41 GLY HA3 . 33 . HA2 1 1
45 1 2 1 1 42 PHE H . 34 . HN 1 1
46 1 1 1 1 42 PHE H . 34 . HN 1 1
46 1 2 1 1 43 ASN H . 35 . HN 1 1
47 1 1 1 1 43 ASN H . 35 . HN 1 1
47 1 2 1 1 44 THR H . 36 . HN 1 1
48 1 1 1 1 43 ASN HA . 35 . HA 1 1
48 1 2 1 1 44 THR H . 36 . HN 1 1
49 1 1 1 1 45 GLU H . 37 . HN 1 1
49 1 2 1 1 46 SER H . 38 . HN 1 1
50 1 1 1 1 45 GLU HA . 37 . HA 1 1
50 1 2 1 1 46 SER H . 38 . HN 1 1
51 1 1 1 1 46 SER HA . 38 . HA 1 1
51 1 2 1 1 47 ALA H . 39 . HN 1 1
52 1 1 1 1 47 ALA HA . 39 . HA 1 1
52 1 2 1 1 48 ILE H . 40 . HN 1 1
53 1 1 1 1 48 ILE HA . 40 . HA 1 1
53 1 2 1 1 49 ALA H . 41 . HN 1 1
54 1 1 1 1 49 ALA H . 41 . HN 1 1
54 1 2 1 1 56 VAL H . 48 . HN 1 1
55 1 1 1 1 49 ALA HA . 41 . HA 1 1
55 1 2 1 1 50 LYS H . 42 . HN 1 1
56 1 1 1 1 50 LYS HA . 42 . HA 1 1
56 1 2 1 1 56 VAL H . 48 . HN 1 1
57 1 1 1 1 51 VAL H . 43 . HN 1 1
57 1 2 1 1 52 ASN H . 44 . HN 1 1
58 1 1 1 1 51 VAL H . 43 . HN 1 1
58 1 2 1 1 54 LYS H . 46 . HN 1 1
59 1 1 1 1 51 VAL H . 43 . HN 1 1
59 1 2 1 1 56 VAL H . 48 . HN 1 1
60 1 1 1 1 51 VAL HA . 43 . HA 1 1
60 1 2 1 1 52 ASN H . 44 . HN 1 1
61 1 1 1 1 52 ASN H . 44 . HN 1 1
61 1 2 1 1 53 GLY H . 45 . HN 1 1
62 1 1 1 1 52 ASN H . 44 . HN 1 1
62 1 2 1 1 54 LYS H . 46 . HN 1 1
63 1 1 1 1 52 ASN H . 44 . HN 1 1
63 1 2 1 1 67 PHE H . 59 . HN 1 1
64 1 1 1 1 52 ASN HA . 44 . HA 1 1
64 1 2 1 1 53 GLY H . 45 . HN 1 1
65 1 1 1 1 53 GLY H . 45 . HN 1 1
65 1 2 1 1 54 LYS H . 46 . HN 1 1
66 1 1 1 1 53 GLY HA2 . 45 . HA1 1 1
66 1 2 1 1 54 LYS H . 46 . HN 1 1
67 1 1 1 1 53 GLY HA3 . 45 . HA2 1 1
67 1 2 1 1 54 LYS H . 46 . HN 1 1
68 1 1 1 1 54 LYS H . 46 . HN 1 1
68 1 2 1 1 55 VAL H . 47 . HN 1 1
69 1 1 1 1 55 VAL HA . 47 . HA 1 1
69 1 2 1 1 56 VAL H . 48 . HN 1 1
70 1 1 1 1 58 GLU H . 50 . HN 1 1
70 1 2 1 1 59 ASP H . 51 . HN 1 1
71 1 1 1 1 58 GLU HA . 50 . HA 1 1
71 1 2 1 1 59 ASP H . 51 . HN 1 1
72 1 1 1 1 60 ASP H . 52 . HN 1 1
72 1 2 1 1 61 GLU H . 53 . HN 1 1
73 1 1 1 1 61 GLU H . 53 . HN 1 1
73 1 2 1 1 62 VAL H . 54 . HN 1 1
74 1 1 1 1 61 GLU HA . 53 . HA 1 1
74 1 2 1 1 62 VAL H . 54 . HN 1 1
75 1 1 1 1 62 VAL H . 54 . HN 1 1
75 1 2 1 1 63 LYS H . 55 . HN 1 1
76 1 1 1 1 63 LYS H . 55 . HN 1 1
76 1 2 1 1 64 ASP H . 56 . HN 1 1
77 1 1 1 1 63 LYS H . 55 . HN 1 1
77 1 2 1 1 66 ASP H . 58 . HN 1 1
78 1 1 1 1 64 ASP H . 56 . HN 1 1
78 1 2 1 1 65 GLY H . 57 . HN 1 1
79 1 1 1 1 64 ASP HA . 56 . HA 1 1
79 1 2 1 1 65 GLY H . 57 . HN 1 1
80 1 1 1 1 64 ASP HA . 56 . HA 1 1
80 1 2 1 1 66 ASP H . 58 . HN 1 1
81 1 1 1 1 65 GLY HA2 . 57 . HA1 1 1
81 1 2 1 1 66 ASP H . 58 . HN 1 1
82 1 1 1 1 65 GLY HA3 . 57 . HA2 1 1
82 1 2 1 1 66 ASP H . 58 . HN 1 1
83 1 1 1 1 66 ASP HA . 58 . HA 1 1
83 1 2 1 1 67 PHE H . 59 . HN 1 1
84 1 1 1 1 67 PHE HA . 59 . HA 1 1
84 1 2 1 1 68 VAL H . 60 . HN 1 1
85 1 1 1 1 69 GLU HA . 61 . HA 1 1
85 1 2 1 1 70 VAL H . 62 . HN 1 1
86 1 1 1 1 70 VAL HA . 62 . HA 1 1
86 1 2 1 1 71 ILE H . 63 . HN 1 1
87 1 1 1 1 73 VAL HA . 65 . HA 1 1
87 1 2 1 1 74 VAL H . 66 . HN 1 1
88 1 1 1 1 74 VAL HA . 66 . HA 1 1
88 1 2 1 1 75 SER H . 67 . HN 1 1
89 1 1 1 1 75 SER HA . 67 . HA 1 1
89 1 2 1 1 76 GLY H . 68 . HN 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.7 1.8 3.1 1 1
2 1 . . . . . 2.7 1.8 2.9 1 1
3 1 . . . . . 2.7 1.8 2.9 1 1
4 1 . . . . . 5.0 1.8 5.4 1 1
5 1 . . . . . 2.7 1.8 2.9 1 1
6 1 . . . . . 5.0 1.8 5.4 1 1
7 1 . . . . . 5.0 1.8 5.4 1 1
8 1 . . . . . 3.3 1.8 3.5 1 1
9 1 . . . . . 2.7 1.8 2.9 1 1
10 1 . . . . . 5.0 1.8 5.4 1 1
11 1 . . . . . 3.3 1.8 3.7 1 1
12 1 . . . . . 2.7 1.8 3.1 1 1
13 1 . . . . . 3.3 1.8 3.5 1 1
14 1 . . . . . 3.3 1.8 3.5 1 1
15 1 . . . . . 2.7 1.8 3.1 1 1
16 1 . . . . . 3.3 1.8 3.7 1 1
17 1 . . . . . 2.7 1.8 2.9 1 1
18 1 . . . . . 5.0 1.8 5.4 1 1
19 1 . . . . . 3.3 1.8 3.5 1 1
20 1 . . . . . 2.7 1.8 2.9 1 1
21 1 . . . . . 2.7 1.8 3.1 1 1
22 1 . . . . . 3.3 1.8 3.5 1 1
23 1 . . . . . 5.0 1.8 5.4 1 1
24 1 . . . . . 2.7 1.8 2.9 1 1
25 1 . . . . . 2.7 1.8 2.9 1 1
26 1 . . . . . 5.0 1.8 5.2 1 1
27 1 . . . . . 5.0 1.8 5.2 1 1
28 1 . . . . . 5.0 1.8 5.4 1 1
29 1 . . . . . 3.3 1.8 3.5 1 1
30 1 . . . . . 2.7 1.8 3.1 1 1
31 1 . . . . . 3.3 1.8 3.5 1 1
32 1 . . . . . 5.0 1.8 5.2 1 1
33 1 . . . . . 3.3 1.8 3.5 1 1
34 1 . . . . . 2.7 1.8 3.1 1 1
35 1 . . . . . 3.3 1.8 3.5 1 1
36 1 . . . . . 3.3 1.8 3.5 1 1
37 1 . . . . . 3.3 1.8 3.5 1 1
38 1 . . . . . 2.7 1.8 3.1 1 1
39 1 . . . . . 3.3 1.8 3.5 1 1
40 1 . . . . . 5.0 1.8 5.2 1 1
41 1 . . . . . 3.3 1.8 3.7 1 1
42 1 . . . . . 3.3 1.8 3.5 1 1
43 1 . . . . . 2.7 1.8 3.1 1 1
44 1 . . . . . 3.3 1.8 3.5 1 1
45 1 . . . . . 3.3 1.8 3.5 1 1
46 1 . . . . . 3.3 1.8 3.7 1 1
47 1 . . . . . 3.3 1.8 3.7 1 1
48 1 . . . . . 2.7 1.8 2.9 1 1
49 1 . . . . . 2.7 1.8 3.1 1 1
50 1 . . . . . 2.7 1.8 2.9 1 1
51 1 . . . . . 2.7 1.8 2.9 1 1
52 1 . . . . . 3.3 1.8 3.5 1 1
53 1 . . . . . 2.7 1.8 2.9 1 1
54 1 . . . . . 5.0 1.8 5.4 1 1
55 1 . . . . . 2.7 1.8 2.9 1 1
56 1 . . . . . 3.3 1.8 3.5 1 1
57 1 . . . . . 5.0 1.8 5.4 1 1
58 1 . . . . . 3.3 1.8 3.7 1 1
59 1 . . . . . 5.0 1.8 5.4 1 1
60 1 . . . . . 2.7 1.8 2.9 1 1
61 1 . . . . . 3.3 1.8 3.7 1 1
62 1 . . . . . 5.0 1.8 5.4 1 1
63 1 . . . . . 5.0 1.8 5.4 1 1
64 1 . . . . . 2.7 1.8 2.9 1 1
65 1 . . . . . 3.3 1.8 3.7 1 1
66 1 . . . . . 2.7 1.8 2.9 1 1
67 1 . . . . . 3.3 1.8 3.5 1 1
68 1 . . . . . 5.0 1.8 5.4 1 1
69 1 . . . . . 2.7 1.8 2.9 1 1
70 1 . . . . . 3.3 1.8 3.7 1 1
71 1 . . . . . 3.3 1.8 3.5 1 1
72 1 . . . . . 5.0 1.8 5.4 1 1
73 1 . . . . . 5.0 1.8 5.4 1 1
74 1 . . . . . 2.7 1.8 2.9 1 1
75 1 . . . . . 5.0 1.8 5.4 1 1
76 1 . . . . . 5.0 1.8 5.4 1 1
77 1 . . . . . 5.0 1.8 5.4 1 1
78 1 . . . . . 5.0 1.8 5.4 1 1
79 1 . . . . . 2.7 1.8 2.9 1 1
80 1 . . . . . 5.0 1.8 5.2 1 1
81 1 . . . . . 3.3 1.8 3.5 1 1
82 1 . . . . . 3.3 1.8 3.5 1 1
83 1 . . . . . 2.7 1.8 2.9 1 1
84 1 . . . . . 2.7 1.8 2.9 1 1
85 1 . . . . . 2.7 1.8 2.9 1 1
86 1 . . . . . 2.7 1.8 2.9 1 1
87 1 . . . . . 2.7 1.8 2.9 1 1
88 1 . . . . . 2.7 1.8 2.9 1 1
89 1 . . . . . 3.3 1.8 3.5 1 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 18 GLY C 1 1 19 ARG N 1 1 19 ARG CA 1 1 19 ARG C -150.0 -89.99999 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1
2 . 1 1 20 ASN C 1 1 21 ILE N 1 1 21 ILE CA 1 1 21 ILE C -150.0 -89.99999 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1
3 . 1 1 24 GLU C 1 1 25 ILE N 1 1 25 ILE CA 1 1 25 ILE C -150.0 -89.99999 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1
4 . 1 1 37 LEU C 1 1 38 ARG N 1 1 38 ARG CA 1 1 38 ARG C -60.0 -30.0 . 29 . C . 30 . N . 30 . CA . 30 . C 1 1
5 . 1 1 39 ALA C 1 1 40 VAL N 1 1 40 VAL CA 1 1 40 VAL C -150.0 -89.99999 . 31 . C . 32 . N . 32 . CA . 32 . C 1 1
6 . 1 1 41 GLY C 1 1 42 PHE N 1 1 42 PHE CA 1 1 42 PHE C -150.0 -89.99999 . 33 . C . 34 . N . 34 . CA . 34 . C 1 1
7 . 1 1 11 MET C 1 1 12 ILE N 1 1 12 ILE CA 1 1 12 ILE C -150.0 -89.99999 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1
8 . 1 1 47 ALA C 1 1 48 ILE N 1 1 48 ILE CA 1 1 48 ILE C -150.0 -89.99999 . 39 . C . 40 . N . 40 . CA . 40 . C 1 1
9 . 1 1 49 ALA C 1 1 50 LYS N 1 1 50 LYS CA 1 1 50 LYS C -150.0 -89.99999 . 41 . C . 42 . N . 42 . CA . 42 . C 1 1
10 . 1 1 53 GLY C 1 1 54 LYS N 1 1 54 LYS CA 1 1 54 LYS C -150.0 -89.99999 . 45 . C . 46 . N . 46 . CA . 46 . C 1 1
11 . 1 1 55 VAL C 1 1 56 VAL N 1 1 56 VAL CA 1 1 56 VAL C -150.0 -89.99999 . 47 . C . 48 . N . 48 . CA . 48 . C 1 1
12 . 1 1 57 LEU C 1 1 58 GLU N 1 1 58 GLU CA 1 1 58 GLU C -60.0 -30.0 . 49 . C . 50 . N . 50 . CA . 50 . C 1 1
13 . 1 1 61 GLU C 1 1 62 VAL N 1 1 62 VAL CA 1 1 62 VAL C -150.0 -89.99999 . 53 . C . 54 . N . 54 . CA . 54 . C 1 1
14 . 1 1 13 LYS C 1 1 14 VAL N 1 1 14 VAL CA 1 1 14 VAL C -150.0 -89.99999 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
15 . 1 1 67 PHE C 1 1 68 VAL N 1 1 68 VAL CA 1 1 68 VAL C -150.0 -89.99999 . 59 . C . 60 . N . 60 . CA . 60 . C 1 1
16 . 1 1 69 GLU C 1 1 70 VAL N 1 1 70 VAL CA 1 1 70 VAL C -150.0 -89.99999 . 61 . C . 62 . N . 62 . CA . 62 . C 1 1
17 . 1 1 15 LYS C 1 1 16 VAL N 1 1 16 VAL CA 1 1 16 VAL C -150.0 -89.99999 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1
18 . 1 1 44 THR C 1 1 45 GLU N 1 1 45 GLU CA 1 1 45 GLU C -100.0 -40.0 . 36 . C . 37 . N . 37 . CA . 37 . C 1 1
19 . 1 1 45 GLU N 1 1 45 GLU CA 1 1 45 GLU C 1 1 46 SER N -60.0 0.0 . 37 . N . 37 . CA . 37 . C . 38 . N 1 1
20 . 1 1 62 VAL C 1 1 63 LYS N 1 1 63 LYS CA 1 1 63 LYS C -160.0 -100.0 . 54 . C . 55 . N . 55 . CA . 55 . C 1 1
21 . 1 1 63 LYS N 1 1 63 LYS CA 1 1 63 LYS C 1 1 64 ASP N -210.0 -150.0 . 55 . N . 55 . CA . 55 . C . 56 . N 1 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID 1
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID .
_RDC_constraint_list.Block_ID .
loop_
_RDC_constraint.ID
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 1 1 49 ALA N 1 1 49 ALA H -4.232 . . . . 41 . N . 41 . HN 1 1
2 1 1 69 GLU N 1 1 69 GLU H -5.393 . . . . 61 . N . 61 . HN 1 1
3 1 1 10 LYS N 1 1 10 LYS H -6.104 . . . . 2 . N . 2 . HN 1 1
4 1 1 32 LYS N 1 1 32 LYS H -13.404 . . . . 24 . N . 24 . HN 1 1
5 1 1 12 ILE N 1 1 12 ILE H -12.635 . . . . 4 . N . 4 . HN 1 1
6 1 1 63 LYS N 1 1 63 LYS H -2.933 . . . . 55 . N . 55 . HN 1 1
7 1 1 71 ILE N 1 1 71 ILE H -4.315 . . . . 63 . N . 63 . HN 1 1
8 1 1 68 VAL N 1 1 68 VAL H -1.18 . . . . 60 . N . 60 . HN 1 1
9 1 1 17 ILE N 1 1 17 ILE H -3.786 . . . . 9 . N . 9 . HN 1 1
10 1 1 53 GLY N 1 1 53 GLY H -10.005 . . . . 45 . N . 45 . HN 1 1
11 1 1 52 ASN N 1 1 52 ASN H -7.566 . . . . 44 . N . 44 . HN 1 1
12 1 1 70 VAL N 1 1 70 VAL H -0.608 . . . . 62 . N . 62 . HN 1 1
13 1 1 14 VAL N 1 1 14 VAL H -3.539 . . . . 6 . N . 6 . HN 1 1
14 1 1 25 ILE N 1 1 25 ILE H -12.934 . . . . 17 . N . 17 . HN 1 1
15 1 1 23 LYS N 1 1 23 LYS H -3.727 . . . . 15 . N . 15 . HN 1 1
16 1 1 33 VAL N 1 1 33 VAL H -7.0 . . . . 25 . N . 25 . HN 1 1
17 1 1 55 VAL N 1 1 55 VAL H -8.074 . . . . 47 . N . 47 . HN 1 1
18 1 1 16 VAL N 1 1 16 VAL H -1.236 . . . . 8 . N . 8 . HN 1 1
19 1 1 27 TRP N 1 1 27 TRP H 5.604 . . . . 19 . N . 19 . HN 1 1
20 1 1 26 GLU N 1 1 26 GLU H -9.353 . . . . 18 . N . 18 . HN 1 1
21 1 1 15 LYS N 1 1 15 LYS H -4.353 . . . . 7 . N . 7 . HN 1 1
22 1 1 22 GLU N 1 1 22 GLU H -6.594 . . . . 14 . N . 14 . HN 1 1
23 1 1 51 VAL N 1 1 51 VAL H -3.678 . . . . 43 . N . 43 . HN 1 1
24 1 1 13 LYS N 1 1 13 LYS H -8.995 . . . . 5 . N . 5 . HN 1 1
25 1 1 74 VAL N 1 1 74 VAL H -6.633 . . . . 66 . N . 66 . HN 1 1
26 1 1 47 ALA N 1 1 47 ALA H -4.65 . . . . 39 . N . 39 . HN 1 1
27 1 1 73 VAL N 1 1 73 VAL H -7.076 . . . . 65 . N . 65 . HN 1 1
28 1 1 56 VAL N 1 1 56 VAL H -3.137 . . . . 48 . N . 48 . HN 1 1
29 1 1 67 PHE N 1 1 67 PHE H -9.715 . . . . 59 . N . 59 . HN 1 1
30 1 1 24 GLU N 1 1 24 GLU H -5.521 . . . . 16 . N . 16 . HN 1 1
31 1 1 57 LEU N 1 1 57 LEU H 6.296 . . . . 49 . N . 49 . HN 1 1
32 1 1 75 SER N 1 1 75 SER H -3.259 . . . . 67 . N . 67 . HN 1 1
33 1 1 61 GLU N 1 1 61 GLU H -7.066 . . . . 53 . N . 53 . HN 1 1
34 1 1 11 MET N 1 1 11 MET H -7.25 . . . . 3 . N . 3 . HN 1 1
35 1 1 42 PHE N 1 1 42 PHE H 14.948 . . . . 34 . N . 34 . HN 1 1
36 1 1 45 GLU N 1 1 45 GLU H -4.789 . . . . 37 . N . 37 . HN 1 1
37 1 1 20 ASN N 1 1 20 ASN H -5.459 . . . . 12 . N . 12 . HN 1 1
38 1 1 50 LYS N 1 1 50 LYS H -4.216 . . . . 42 . N . 42 . HN 1 1
39 1 1 48 ILE N 1 1 48 ILE H -5.035 . . . . 40 . N . 40 . HN 1 1
40 1 1 37 LEU N 1 1 37 LEU H -6.419 . . . . 29 . N . 29 . HN 1 1
41 1 1 34 ARG N 1 1 34 ARG H -4.465 . . . . 26 . N . 26 . HN 1 1
42 1 1 18 GLY N 1 1 18 GLY H 3.218 . . . . 10 . N . 10 . HN 1 1
43 1 1 30 GLY N 1 1 30 GLY H -9.083 . . . . 22 . N . 22 . HN 1 1
44 1 1 58 GLU N 1 1 58 GLU H 17.042 . . . . 50 . N . 50 . HN 1 1
45 1 1 76 GLY N 1 1 76 GLY H -2.389 . . . . 68 . N . 68 . HN 1 1
46 1 1 44 THR N 1 1 44 THR H -5.295 . . . . 36 . N . 36 . HN 1 1
47 1 1 43 ASN N 1 1 43 ASN H 3.914 . . . . 35 . N . 35 . HN 1 1
48 1 1 77 GLY N 1 1 77 GLY H 0.004 . . . . 69 . N . 69 . HN 1 1
49 1 1 65 GLY N 1 1 65 GLY H -9.775 . . . . 57 . N . 57 . HN 1 1
50 1 1 46 SER N 1 1 46 SER H 6.158 . . . . 38 . N . 38 . HN 1 1
51 1 1 59 ASP N 1 1 59 ASP H 4.691 . . . . 51 . N . 51 . HN 1 1
52 1 1 62 VAL N 1 1 62 VAL H -7.431 . . . . 54 . N . 54 . HN 1 1
53 1 1 28 ARG N 1 1 28 ARG H 9.419 . . . . 20 . N . 20 . HN 1 1
54 1 1 36 ILE N 1 1 36 ILE H -3.32 . . . . 28 . N . 28 . HN 1 1
55 1 1 31 MET N 1 1 31 MET H 12.624 . . . . 23 . N . 23 . HN 1 1
56 1 1 39 ALA N 1 1 39 ALA H -9.935 . . . . 31 . N . 31 . HN 1 1
57 1 1 54 LYS N 1 1 54 LYS H 7.886 . . . . 46 . N . 46 . HN 1 1
58 1 1 66 ASP N 1 1 66 ASP H -8.685 . . . . 58 . N . 58 . HN 1 1
59 1 1 29 GLU N 1 1 29 GLU H 10.407 . . . . 21 . N . 21 . HN 1 1
60 1 1 60 ASP N 1 1 60 ASP H 4.955 . . . . 52 . N . 52 . HN 1 1
61 1 1 35 ASP N 1 1 35 ASP H -3.004 . . . . 27 . N . 27 . HN 1 1
62 1 1 38 ARG N 1 1 38 ARG H -0.721 . . . . 30 . N . 30 . HN 1 1
63 1 1 64 ASP N 1 1 64 ASP H 0.887 . . . . 56 . N . 56 . HN 1 1
64 1 1 19 ARG N 1 1 19 ARG H 0.936 . . . . 11 . N . 11 . HN 1 1
65 1 1 21 ILE N 1 1 21 ILE H -1.727 . . . . 13 . N . 13 . HN 1 1
66 1 1 40 VAL N 1 1 40 VAL H -5.655 . . . . 32 . N . 32 . HN 1 1
67 1 1 41 GLY N 1 1 41 GLY H 3.466 . . . . 33 . N . 33 . HN 1 1
68 1 1 49 ALA HA 1 1 49 ALA CA 4.625 . . . . 41 . HA . 41 . CA 1 1
69 1 1 69 GLU HA 1 1 69 GLU CA 3.0955 . . . . 61 . HA . 61 . CA 1 1
70 1 1 10 LYS HA 1 1 10 LYS CA 6.7865 . . . . 2 . HA . 2 . CA 1 1
71 1 1 32 LYS HA 1 1 32 LYS CA 8.434 . . . . 24 . HA . 24 . CA 1 1
72 1 1 12 ILE HA 1 1 12 ILE CA 9.837 . . . . 4 . HA . 4 . CA 1 1
73 1 1 63 LYS HA 1 1 63 LYS CA 6.3445 . . . . 55 . HA . 55 . CA 1 1
74 1 1 71 ILE HA 1 1 71 ILE CA 2.4135 . . . . 63 . HA . 63 . CA 1 1
75 1 1 68 VAL HA 1 1 68 VAL CA 5.5565 . . . . 60 . HA . 60 . CA 1 1
76 1 1 17 ILE HA 1 1 17 ILE CA -4.291 . . . . 9 . HA . 9 . CA 1 1
77 1 1 52 ASN HA 1 1 52 ASN CA 0.1165 . . . . 44 . HA . 44 . CA 1 1
78 1 1 70 VAL HA 1 1 70 VAL CA 1.293 . . . . 62 . HA . 62 . CA 1 1
79 1 1 14 VAL HA 1 1 14 VAL CA 5.1855 . . . . 6 . HA . 6 . CA 1 1
80 1 1 25 ILE HA 1 1 25 ILE CA 9.862 . . . . 17 . HA . 17 . CA 1 1
81 1 1 23 LYS HA 1 1 23 LYS CA 1.2035 . . . . 15 . HA . 15 . CA 1 1
82 1 1 33 VAL HA 1 1 33 VAL CA -0.2985 . . . . 25 . HA . 25 . CA 1 1
83 1 1 55 VAL HA 1 1 55 VAL CA 6.1345 . . . . 47 . HA . 47 . CA 1 1
84 1 1 16 VAL HA 1 1 16 VAL CA 5.283 . . . . 8 . HA . 8 . CA 1 1
85 1 1 26 GLU HA 1 1 26 GLU CA 1.816 . . . . 18 . HA . 18 . CA 1 1
86 1 1 15 LYS HA 1 1 15 LYS CA 6.5205 . . . . 7 . HA . 7 . CA 1 1
87 1 1 22 GLU HA 1 1 22 GLU CA 4.663 . . . . 14 . HA . 14 . CA 1 1
88 1 1 51 VAL HA 1 1 51 VAL CA 5.115 . . . . 43 . HA . 43 . CA 1 1
89 1 1 13 LYS HA 1 1 13 LYS CA 7.167 . . . . 5 . HA . 5 . CA 1 1
90 1 1 74 VAL HA 1 1 74 VAL CA 3.5175 . . . . 66 . HA . 66 . CA 1 1
91 1 1 47 ALA HA 1 1 47 ALA CA 0.971 . . . . 39 . HA . 39 . CA 1 1
92 1 1 56 VAL HA 1 1 56 VAL CA 6.7405 . . . . 48 . HA . 48 . CA 1 1
93 1 1 67 PHE HA 1 1 67 PHE CA -10.5925 . . . . 59 . HA . 59 . CA 1 1
94 1 1 24 GLU HA 1 1 24 GLU CA 4.1135 . . . . 16 . HA . 16 . CA 1 1
95 1 1 57 LEU HA 1 1 57 LEU CA -9.385 . . . . 49 . HA . 49 . CA 1 1
96 1 1 75 SER HA 1 1 75 SER CA 1.3465 . . . . 67 . HA . 67 . CA 1 1
97 1 1 61 GLU HA 1 1 61 GLU CA 11.4045 . . . . 53 . HA . 53 . CA 1 1
98 1 1 11 MET HA 1 1 11 MET CA 7.3445 . . . . 3 . HA . 3 . CA 1 1
99 1 1 42 PHE HA 1 1 42 PHE CA -10.5 . . . . 34 . HA . 34 . CA 1 1
100 1 1 45 GLU HA 1 1 45 GLU CA 3.5775 . . . . 37 . HA . 37 . CA 1 1
101 1 1 20 ASN HA 1 1 20 ASN CA 8.764 . . . . 12 . HA . 12 . CA 1 1
102 1 1 50 LYS HA 1 1 50 LYS CA 3.643 . . . . 42 . HA . 42 . CA 1 1
103 1 1 48 ILE HA 1 1 48 ILE CA 4.5855 . . . . 40 . HA . 40 . CA 1 1
104 1 1 37 LEU HA 1 1 37 LEU CA 5.346 . . . . 29 . HA . 29 . CA 1 1
105 1 1 34 ARG HA 1 1 34 ARG CA -8.422 . . . . 26 . HA . 26 . CA 1 1
106 1 1 58 GLU HA 1 1 58 GLU CA 0.7695 . . . . 50 . HA . 50 . CA 1 1
107 1 1 44 THR HA 1 1 44 THR CA 2.258 . . . . 36 . HA . 36 . CA 1 1
108 1 1 43 ASN HA 1 1 43 ASN CA -13.697 . . . . 35 . HA . 35 . CA 1 1
109 1 1 46 SER HA 1 1 46 SER CA -16.122 . . . . 38 . HA . 38 . CA 1 1
110 1 1 59 ASP HA 1 1 59 ASP CA 6.8215 . . . . 51 . HA . 51 . CA 1 1
111 1 1 62 VAL HA 1 1 62 VAL CA 9.794 . . . . 54 . HA . 54 . CA 1 1
112 1 1 28 ARG HA 1 1 28 ARG CA -15.3065 . . . . 20 . HA . 20 . CA 1 1
113 1 1 36 ILE HA 1 1 36 ILE CA -0.3355 . . . . 28 . HA . 28 . CA 1 1
114 1 1 31 MET HA 1 1 31 MET CA 4.4555 . . . . 23 . HA . 23 . CA 1 1
115 1 1 39 ALA HA 1 1 39 ALA CA 12.2565 . . . . 31 . HA . 31 . CA 1 1
116 1 1 54 LYS HA 1 1 54 LYS CA -0.1735 . . . . 46 . HA . 46 . CA 1 1
117 1 1 66 ASP HA 1 1 66 ASP CA 10.794 . . . . 58 . HA . 58 . CA 1 1
118 1 1 29 GLU HA 1 1 29 GLU CA 9.0355 . . . . 21 . HA . 21 . CA 1 1
119 1 1 60 ASP HA 1 1 60 ASP CA 2.681 . . . . 52 . HA . 52 . CA 1 1
120 1 1 35 ASP HA 1 1 35 ASP CA 4.8745 . . . . 27 . HA . 27 . CA 1 1
121 1 1 38 ARG HA 1 1 38 ARG CA -13.69 . . . . 30 . HA . 30 . CA 1 1
122 1 1 19 ARG HA 1 1 19 ARG CA -6.2735 . . . . 11 . HA . 11 . CA 1 1
123 1 1 21 ILE HA 1 1 21 ILE CA 1.161 . . . . 13 . HA . 13 . CA 1 1
124 1 1 40 VAL HA 1 1 40 VAL CA 1.658 . . . . 32 . HA . 32 . CA 1 1
125 1 1 48 ILE C 1 1 49 ALA N -5.00335 . . . . 40 . C . 41 . N 1 1
126 1 1 68 VAL C 1 1 69 GLU N 18.57442 . . . . 60 . C . 61 . N 1 1
127 1 1 31 MET C 1 1 32 LYS N 22.20495 . . . . 23 . C . 24 . N 1 1
128 1 1 11 MET C 1 1 12 ILE N 7.92266 . . . . 3 . C . 4 . N 1 1
129 1 1 62 VAL C 1 1 63 LYS N 9.50223 . . . . 54 . C . 55 . N 1 1
130 1 1 70 VAL C 1 1 71 ILE N 11.95015 . . . . 62 . C . 63 . N 1 1
131 1 1 67 PHE C 1 1 68 VAL N 9.68417 . . . . 59 . C . 60 . N 1 1
132 1 1 16 VAL C 1 1 17 ILE N -5.16875 . . . . 8 . C . 9 . N 1 1
133 1 1 52 ASN C 1 1 53 GLY N 3.82074 . . . . 44 . C . 45 . N 1 1
134 1 1 51 VAL C 1 1 52 ASN N -7.71591 . . . . 43 . C . 44 . N 1 1
135 1 1 69 GLU C 1 1 70 VAL N -6.10326 . . . . 61 . C . 62 . N 1 1
136 1 1 13 LYS C 1 1 14 VAL N -7.7738 . . . . 5 . C . 6 . N 1 1
137 1 1 24 GLU C 1 1 25 ILE N 1.97653 . . . . 16 . C . 17 . N 1 1
138 1 1 22 GLU C 1 1 23 LYS N -3.7215 . . . . 14 . C . 15 . N 1 1
139 1 1 32 LYS C 1 1 33 VAL N -3.20049 . . . . 24 . C . 25 . N 1 1
140 1 1 54 LYS C 1 1 55 VAL N 12.41327 . . . . 46 . C . 47 . N 1 1
141 1 1 15 LYS C 1 1 16 VAL N 4.99508 . . . . 7 . C . 8 . N 1 1
142 1 1 26 GLU C 1 1 27 TRP N -8.46021 . . . . 18 . C . 19 . N 1 1
143 1 1 25 ILE C 1 1 26 GLU N 2.49754 . . . . 17 . C . 18 . N 1 1
144 1 1 14 VAL C 1 1 15 LYS N 0.43831 . . . . 6 . C . 7 . N 1 1
145 1 1 21 ILE C 1 1 22 GLU N 9.50223 . . . . 13 . C . 14 . N 1 1
146 1 1 50 LYS C 1 1 51 VAL N 13.84398 . . . . 42 . C . 43 . N 1 1
147 1 1 12 ILE C 1 1 13 LYS N -9.25413 . . . . 4 . C . 5 . N 1 1
148 1 1 73 VAL C 1 1 74 VAL N -3.07644 . . . . 65 . C . 66 . N 1 1
149 1 1 46 SER C 1 1 47 ALA N -5.73938 . . . . 38 . C . 39 . N 1 1
150 1 1 72 PRO C 1 1 73 VAL N 1.71189 . . . . 64 . C . 65 . N 1 1
151 1 1 55 VAL C 1 1 56 VAL N -5.56571 . . . . 47 . C . 48 . N 1 1
152 1 1 66 ASP C 1 1 67 PHE N -3.2253 . . . . 58 . C . 59 . N 1 1
153 1 1 23 LYS C 1 1 24 GLU N 10.86678 . . . . 15 . C . 16 . N 1 1
154 1 1 56 VAL C 1 1 57 LEU N -20.69154 . . . . 48 . C . 49 . N 1 1
155 1 1 74 VAL C 1 1 75 SER N -0.70295 . . . . 66 . C . 67 . N 1 1
156 1 1 60 ASP C 1 1 61 GLU N 15.10102 . . . . 52 . C . 53 . N 1 1
157 1 1 10 LYS C 1 1 11 MET N -11.75994 . . . . 2 . C . 3 . N 1 1
158 1 1 41 GLY C 1 1 42 PHE N -1.83594 . . . . 33 . C . 34 . N 1 1
159 1 1 44 THR C 1 1 45 GLU N -5.0447 . . . . 36 . C . 37 . N 1 1
160 1 1 19 ARG C 1 1 20 ASN N 4.86276 . . . . 11 . C . 12 . N 1 1
161 1 1 49 ALA C 1 1 50 LYS N 16.64751 . . . . 41 . C . 42 . N 1 1
162 1 1 47 ALA C 1 1 48 ILE N -9.0143 . . . . 39 . C . 40 . N 1 1
163 1 1 36 ILE C 1 1 37 LEU N 6.0371 . . . . 28 . C . 29 . N 1 1
164 1 1 33 VAL C 1 1 34 ARG N 3.45686 . . . . 25 . C . 26 . N 1 1
165 1 1 17 ILE C 1 1 18 GLY N 0.9924 . . . . 9 . C . 10 . N 1 1
166 1 1 29 GLU C 1 1 30 GLY N -1.83594 . . . . 21 . C . 22 . N 1 1
167 1 1 57 LEU C 1 1 58 GLU N 1.02548 . . . . 49 . C . 50 . N 1 1
168 1 1 75 SER C 1 1 76 GLY N -3.77939 . . . . 67 . C . 68 . N 1 1
169 1 1 43 ASN C 1 1 44 THR N -2.62159 . . . . 35 . C . 36 . N 1 1
170 1 1 42 PHE C 1 1 43 ASN N -2.36522 . . . . 34 . C . 35 . N 1 1
171 1 1 76 GLY C 1 1 77 GLY N 1.67054 . . . . 68 . C . 69 . N 1 1
172 1 1 64 ASP C 1 1 65 GLY N -1.13299 . . . . 56 . C . 57 . N 1 1
173 1 1 45 GLU C 1 1 46 SER N 6.16942 . . . . 37 . C . 38 . N 1 1
174 1 1 58 GLU C 1 1 59 ASP N -6.24385 . . . . 50 . C . 51 . N 1 1
175 1 1 61 GLU C 1 1 62 VAL N 2.68775 . . . . 53 . C . 54 . N 1 1
176 1 1 27 TRP C 1 1 28 ARG N -24.93405 . . . . 19 . C . 20 . N 1 1
177 1 1 35 ASP C 1 1 36 ILE N -10.73446 . . . . 27 . C . 28 . N 1 1
178 1 1 30 GLY C 1 1 31 MET N 8.79928 . . . . 22 . C . 23 . N 1 1
179 1 1 38 ARG C 1 1 39 ALA N 8.7662 . . . . 30 . C . 31 . N 1 1
180 1 1 53 GLY C 1 1 54 LYS N -4.04403 . . . . 45 . C . 46 . N 1 1
181 1 1 65 GLY C 1 1 66 ASP N 3.01855 . . . . 57 . C . 58 . N 1 1
182 1 1 28 ARG C 1 1 29 GLU N 0.75257 . . . . 20 . C . 21 . N 1 1
183 1 1 59 ASP C 1 1 60 ASP N -8.46021 . . . . 51 . C . 52 . N 1 1
184 1 1 34 ARG C 1 1 35 ASP N 17.33392 . . . . 26 . C . 27 . N 1 1
185 1 1 37 LEU C 1 1 38 ARG N -2.90277 . . . . 29 . C . 30 . N 1 1
186 1 1 63 LYS C 1 1 64 ASP N 17.20987 . . . . 55 . C . 56 . N 1 1
187 1 1 18 GLY C 1 1 19 ARG N -9.74206 . . . . 10 . C . 11 . N 1 1
188 1 1 20 ASN C 1 1 21 ILE N -4.26732 . . . . 12 . C . 13 . N 1 1
189 1 1 39 ALA C 1 1 40 VAL N -11.45395 . . . . 31 . C . 32 . N 1 1
190 1 1 40 VAL C 1 1 41 GLY N -13.47183 . . . . 32 . C . 33 . N 1 1
191 1 1 48 ILE C 1 1 49 ALA H 0.8984 . . . . 40 . C . 41 . HN 1 1
192 1 1 68 VAL C 1 1 69 GLU H -2.7272 . . . . 60 . C . 61 . HN 1 1
193 1 1 31 MET C 1 1 32 LYS H -1.9988 . . . . 23 . C . 24 . HN 1 1
194 1 1 11 MET C 1 1 12 ILE H 0.8696 . . . . 3 . C . 4 . HN 1 1
195 1 1 62 VAL C 1 1 63 LYS H -2.0852 . . . . 54 . C . 55 . HN 1 1
196 1 1 70 VAL C 1 1 71 ILE H -1.816 . . . . 62 . C . 63 . HN 1 1
197 1 1 67 PHE C 1 1 68 VAL H -2.3292 . . . . 59 . C . 60 . HN 1 1
198 1 1 16 VAL C 1 1 17 ILE H -1.0308 . . . . 8 . C . 9 . HN 1 1
199 1 1 52 ASN C 1 1 53 GLY H 0.0412 . . . . 44 . C . 45 . HN 1 1
200 1 1 51 VAL C 1 1 52 ASN H -0.9092 . . . . 43 . C . 44 . HN 1 1
201 1 1 69 GLU C 1 1 70 VAL H 1.2212 . . . . 61 . C . 62 . HN 1 1
202 1 1 13 LYS C 1 1 14 VAL H -0.1468 . . . . 5 . C . 6 . HN 1 1
203 1 1 24 GLU C 1 1 25 ILE H -3.576 . . . . 16 . C . 17 . HN 1 1
204 1 1 22 GLU C 1 1 23 LYS H -0.9484 . . . . 14 . C . 15 . HN 1 1
205 1 1 32 LYS C 1 1 33 VAL H 2.082 . . . . 24 . C . 25 . HN 1 1
206 1 1 54 LYS C 1 1 55 VAL H -0.5548 . . . . 46 . C . 47 . HN 1 1
207 1 1 15 LYS C 1 1 16 VAL H 0.2732 . . . . 7 . C . 8 . HN 1 1
208 1 1 26 GLU C 1 1 27 TRP H 0.2192 . . . . 18 . C . 19 . HN 1 1
209 1 1 25 ILE C 1 1 26 GLU H 1.2832 . . . . 17 . C . 18 . HN 1 1
210 1 1 14 VAL C 1 1 15 LYS H -2.3232 . . . . 6 . C . 7 . HN 1 1
211 1 1 21 ILE C 1 1 22 GLU H 0.5704 . . . . 13 . C . 14 . HN 1 1
212 1 1 50 LYS C 1 1 51 VAL H 0.2308 . . . . 42 . C . 43 . HN 1 1
213 1 1 12 ILE C 1 1 13 LYS H -0.1268 . . . . 4 . C . 5 . HN 1 1
214 1 1 73 VAL C 1 1 74 VAL H 0.4228 . . . . 65 . C . 66 . HN 1 1
215 1 1 46 SER C 1 1 47 ALA H -0.2352 . . . . 38 . C . 39 . HN 1 1
216 1 1 72 PRO C 1 1 73 VAL H 0.4344 . . . . 64 . C . 65 . HN 1 1
217 1 1 55 VAL C 1 1 56 VAL H 0.138 . . . . 47 . C . 48 . HN 1 1
218 1 1 66 ASP C 1 1 67 PHE H 0.386 . . . . 58 . C . 59 . HN 1 1
219 1 1 23 LYS C 1 1 24 GLU H -1.9592 . . . . 15 . C . 16 . HN 1 1
220 1 1 56 VAL C 1 1 57 LEU H -0.37 . . . . 48 . C . 49 . HN 1 1
221 1 1 74 VAL C 1 1 75 SER H 0.048 . . . . 66 . C . 67 . HN 1 1
222 1 1 60 ASP C 1 1 61 GLU H -0.6668 . . . . 52 . C . 53 . HN 1 1
223 1 1 10 LYS C 1 1 11 MET H 2.7416 . . . . 2 . C . 3 . HN 1 1
224 1 1 41 GLY C 1 1 42 PHE H 1.5568 . . . . 33 . C . 34 . HN 1 1
225 1 1 44 THR C 1 1 45 GLU H 0.5996 . . . . 36 . C . 37 . HN 1 1
226 1 1 19 ARG C 1 1 20 ASN H 1.4732 . . . . 11 . C . 12 . HN 1 1
227 1 1 49 ALA C 1 1 50 LYS H 0.3528 . . . . 41 . C . 42 . HN 1 1
228 1 1 47 ALA C 1 1 48 ILE H 1.8772 . . . . 39 . C . 40 . HN 1 1
229 1 1 36 ILE C 1 1 37 LEU H 0.384 . . . . 28 . C . 29 . HN 1 1
230 1 1 33 VAL C 1 1 34 ARG H -0.5824 . . . . 25 . C . 26 . HN 1 1
231 1 1 17 ILE C 1 1 18 GLY H -0.2312 . . . . 9 . C . 10 . HN 1 1
232 1 1 29 GLU C 1 1 30 GLY H 0.798 . . . . 21 . C . 22 . HN 1 1
233 1 1 57 LEU C 1 1 58 GLU H -0.2604 . . . . 49 . C . 50 . HN 1 1
234 1 1 75 SER C 1 1 76 GLY H 0.1484 . . . . 67 . C . 68 . HN 1 1
235 1 1 43 ASN C 1 1 44 THR H -0.114 . . . . 35 . C . 36 . HN 1 1
236 1 1 42 PHE C 1 1 43 ASN H -1.9364 . . . . 34 . C . 35 . HN 1 1
237 1 1 76 GLY C 1 1 77 GLY H -0.0708 . . . . 68 . C . 69 . HN 1 1
238 1 1 64 ASP C 1 1 65 GLY H -1.006 . . . . 56 . C . 57 . HN 1 1
239 1 1 45 GLU C 1 1 46 SER H -0.992 . . . . 37 . C . 38 . HN 1 1
240 1 1 58 GLU C 1 1 59 ASP H 0.844 . . . . 50 . C . 51 . HN 1 1
241 1 1 61 GLU C 1 1 62 VAL H 0.5328 . . . . 53 . C . 54 . HN 1 1
242 1 1 27 TRP C 1 1 28 ARG H -0.928 . . . . 19 . C . 20 . HN 1 1
243 1 1 35 ASP C 1 1 36 ILE H 0.046 . . . . 27 . C . 28 . HN 1 1
244 1 1 30 GLY C 1 1 31 MET H -0.3292 . . . . 22 . C . 23 . HN 1 1
245 1 1 38 ARG C 1 1 39 ALA H 0.106 . . . . 30 . C . 31 . HN 1 1
246 1 1 53 GLY C 1 1 54 LYS H 0.264 . . . . 45 . C . 46 . HN 1 1
247 1 1 65 GLY C 1 1 66 ASP H -0.02 . . . . 57 . C . 58 . HN 1 1
248 1 1 28 ARG C 1 1 29 GLU H -1.1812 . . . . 20 . C . 21 . HN 1 1
249 1 1 59 ASP C 1 1 60 ASP H 0.3956 . . . . 51 . C . 52 . HN 1 1
250 1 1 34 ARG C 1 1 35 ASP H -1.1992 . . . . 26 . C . 27 . HN 1 1
251 1 1 37 LEU C 1 1 38 ARG H 0.1276 . . . . 29 . C . 30 . HN 1 1
252 1 1 63 LYS C 1 1 64 ASP H -1.7712 . . . . 55 . C . 56 . HN 1 1
253 1 1 18 GLY C 1 1 19 ARG H -1.1212 . . . . 10 . C . 11 . HN 1 1
254 1 1 20 ASN C 1 1 21 ILE H 2.9356 . . . . 12 . C . 13 . HN 1 1
255 1 1 39 ALA C 1 1 40 VAL H -1.1148 . . . . 31 . C . 32 . HN 1 1
256 1 1 40 VAL C 1 1 41 GLY H 1.0516 . . . . 32 . C . 33 . HN 1 1
257 1 1 49 ALA HA 1 1 49 ALA H -0.0242 -0.3242 0.2758 . . 41 . HA . 41 . HN 1 1
258 1 1 69 GLU HA 1 1 69 GLU H -0.1232 -0.4232 0.1768 . . 61 . HA . 61 . HN 1 1
259 1 1 10 LYS HA 1 1 10 LYS H 0.310605 -0.289395 0.910605 . . 2 . HA . 2 . HN 1 1
260 1 1 32 LYS HA 1 1 32 LYS H 0.4715 -0.1285 1.0715 . . 24 . HA . 24 . HN 1 1
261 1 1 12 ILE HA 1 1 12 ILE H 0.2865 -0.0135 0.5865 . . 4 . HA . 4 . HN 1 1
262 1 1 63 LYS HA 1 1 63 LYS H -0.3801 -0.6801 -0.0801 . . 55 . HA . 55 . HN 1 1
263 1 1 71 ILE HA 1 1 71 ILE H 0.1104 -0.1896 0.4104 . . 63 . HA . 63 . HN 1 1
264 1 1 68 VAL HA 1 1 68 VAL H -0.0821 -0.3821 0.2179 . . 60 . HA . 60 . HN 1 1
265 1 1 17 ILE HA 1 1 17 ILE H 0.122649 -0.477351 0.722649 . . 9 . HA . 9 . HN 1 1
266 1 1 52 ASN HA 1 1 52 ASN H 0.8053 0.5053 1.1053 . . 44 . HA . 44 . HN 1 1
267 1 1 70 VAL HA 1 1 70 VAL H -0.2719 -0.5719 0.0281 . . 62 . HA . 62 . HN 1 1
268 1 1 14 VAL HA 1 1 14 VAL H -0.3306 -0.6306 -0.0306 . . 6 . HA . 6 . HN 1 1
269 1 1 25 ILE HA 1 1 25 ILE H 0.2375 -0.3625 0.8375 . . 17 . HA . 17 . HN 1 1
270 1 1 23 LYS HA 1 1 23 LYS H -0.0022 -0.6022 0.5978 . . 15 . HA . 15 . HN 1 1
271 1 1 33 VAL HA 1 1 33 VAL H 0.0558 -0.2442 0.3558 . . 25 . HA . 25 . HN 1 1
272 1 1 55 VAL HA 1 1 55 VAL H 0.2457 -0.0543 0.5457 . . 47 . HA . 47 . HN 1 1
273 1 1 16 VAL HA 1 1 16 VAL H -0.4324 -0.7324 -0.1324 . . 8 . HA . 8 . HN 1 1
274 1 1 26 GLU HA 1 1 26 GLU H -0.0544 -0.6544 0.5456 . . 18 . HA . 18 . HN 1 1
275 1 1 15 LYS HA 1 1 15 LYS H 0.1326 -0.1674 0.4326 . . 7 . HA . 7 . HN 1 1
276 1 1 22 GLU HA 1 1 22 GLU H -0.2883 -0.5883 0.0117 . . 14 . HA . 14 . HN 1 1
277 1 1 51 VAL HA 1 1 51 VAL H -0.2105 -0.5105 0.0895 . . 43 . HA . 43 . HN 1 1
278 1 1 13 LYS HA 1 1 13 LYS H 0.1933 -0.1067 0.4933 . . 5 . HA . 5 . HN 1 1
279 1 1 74 VAL HA 1 1 74 VAL H 0.1157 -0.1843 0.4157 . . 66 . HA . 66 . HN 1 1
280 1 1 47 ALA HA 1 1 47 ALA H 0.2536 -0.0464 0.5536 . . 39 . HA . 39 . HN 1 1
281 1 1 56 VAL HA 1 1 56 VAL H 0.0394 -0.2606 0.3394 . . 48 . HA . 48 . HN 1 1
282 1 1 67 PHE HA 1 1 67 PHE H -0.14057 -0.44057 0.15943 . . 59 . HA . 59 . HN 1 1
283 1 1 24 GLU HA 1 1 24 GLU H 0.1431 -0.1569 0.4431 . . 16 . HA . 16 . HN 1 1
284 1 1 57 LEU HA 1 1 57 LEU H -0.2718 -0.5718 0.0282 . . 49 . HA . 49 . HN 1 1
285 1 1 75 SER HA 1 1 75 SER H 0.0659 -0.2341 0.3659 . . 67 . HA . 67 . HN 1 1
286 1 1 61 GLU HA 1 1 61 GLU H 0.352 0.052 0.652 . . 53 . HA . 53 . HN 1 1
287 1 1 11 MET HA 1 1 11 MET H 0.0702 -0.2298 0.3702 . . 3 . HA . 3 . HN 1 1
288 1 1 42 PHE HA 1 1 42 PHE H -0.4946 -0.7946 -0.1946 . . 34 . HA . 34 . HN 1 1
289 1 1 45 GLU HA 1 1 45 GLU H -0.1082 -0.4082 0.1918 . . 37 . HA . 37 . HN 1 1
290 1 1 20 ASN HA 1 1 20 ASN H -0.7971 -1.0971 -0.4971 . . 12 . HA . 12 . HN 1 1
291 1 1 50 LYS HA 1 1 50 LYS H 0.3038 0.0038 0.6038 . . 42 . HA . 42 . HN 1 1
292 1 1 48 ILE HA 1 1 48 ILE H 0.0283 -0.2717 0.3283 . . 40 . HA . 40 . HN 1 1
293 1 1 37 LEU HA 1 1 37 LEU H -0.0696 -0.3696 0.2304 . . 29 . HA . 29 . HN 1 1
294 1 1 34 ARG HA 1 1 34 ARG H -0.1571 -0.4571 0.1429 . . 26 . HA . 26 . HN 1 1
295 1 1 58 GLU HA 1 1 58 GLU H 0.0995 -0.2005 0.3995 . . 50 . HA . 50 . HN 1 1
296 1 1 44 THR HA 1 1 44 THR H 0.324 0.024 0.624 . . 36 . HA . 36 . HN 1 1
297 1 1 43 ASN HA 1 1 43 ASN H 0.0224 -0.2776 0.3224 . . 35 . HA . 35 . HN 1 1
298 1 1 46 SER HA 1 1 46 SER H -0.1887 -0.4887 0.1113 . . 38 . HA . 38 . HN 1 1
299 1 1 59 ASP HA 1 1 59 ASP H -0.245 -0.545 0.055 . . 51 . HA . 51 . HN 1 1
300 1 1 62 VAL HA 1 1 62 VAL H 0.5453 0.2453 0.8453 . . 54 . HA . 54 . HN 1 1
301 1 1 28 ARG HA 1 1 28 ARG H -0.1999 -0.4999 0.1001 . . 20 . HA . 20 . HN 1 1
302 1 1 36 ILE HA 1 1 36 ILE H 0.1587 -0.1413 0.4587 . . 28 . HA . 28 . HN 1 1
303 1 1 31 MET HA 1 1 31 MET H -0.2317 -0.5317 0.0683 . . 23 . HA . 23 . HN 1 1
304 1 1 39 ALA HA 1 1 39 ALA H 0.1224 -0.1776 0.4224 . . 31 . HA . 31 . HN 1 1
305 1 1 54 LYS HA 1 1 54 LYS H -0.1724 -0.4724 0.1276 . . 46 . HA . 46 . HN 1 1
306 1 1 66 ASP HA 1 1 66 ASP H 0.2017 -0.0983 0.5017 . . 58 . HA . 58 . HN 1 1
307 1 1 29 GLU HA 1 1 29 GLU H 0.1865 -0.1135 0.4865 . . 21 . HA . 21 . HN 1 1
308 1 1 60 ASP HA 1 1 60 ASP H -0.1148 -0.4148 0.1852 . . 52 . HA . 52 . HN 1 1
309 1 1 35 ASP HA 1 1 35 ASP H 0.2032 -0.0968 0.5032 . . 27 . HA . 27 . HN 1 1
310 1 1 38 ARG HA 1 1 38 ARG H 0.2119 -0.0881 0.5119 . . 30 . HA . 30 . HN 1 1
311 1 1 19 ARG HA 1 1 19 ARG H 0.1115 -0.1885 0.4115 . . 11 . HA . 11 . HN 1 1
312 1 1 21 ILE HA 1 1 21 ILE H 0.0117 -0.2883 0.3117 . . 13 . HA . 13 . HN 1 1
313 1 1 40 VAL HA 1 1 40 VAL H 0.1994 -0.1006 0.4994 . . 32 . HA . 32 . HN 1 1
314 1 1 48 ILE HA 1 1 49 ALA H -0.7975 -1.0975 -0.4975 . . 40 . HA . 41 . HN 1 1
315 1 1 68 VAL HA 1 1 69 GLU H -0.4725 -0.7725 -0.1725 . . 60 . HA . 61 . HN 1 1
316 1 1 31 MET HA 1 1 32 LYS H 0.4387 -0.1613 1.0387 . . 23 . HA . 24 . HN 1 1
317 1 1 11 MET HA 1 1 12 ILE H -0.7174 -1.0174 -0.4174 . . 3 . HA . 4 . HN 1 1
318 1 1 62 VAL HA 1 1 63 LYS H -0.7253 -1.0253 -0.4253 . . 54 . HA . 55 . HN 1 1
319 1 1 70 VAL HA 1 1 71 ILE H -1.1169 -1.4169 -0.8169 . . 62 . HA . 63 . HN 1 1
320 1 1 67 PHE HA 1 1 68 VAL H -0.7739 -1.0739 -0.4739 . . 59 . HA . 60 . HN 1 1
321 1 1 16 VAL HA 1 1 17 ILE H -0.363574 -0.963574 0.236426 . . 8 . HA . 9 . HN 1 1
322 1 1 52 ASN HA 1 1 53 GLY H -0.4475 -0.7475 -0.1475 . . 44 . HA . 45 . HN 1 1
323 1 1 51 VAL HA 1 1 52 ASN H -0.3112 -0.6112 -0.0112 . . 43 . HA . 44 . HN 1 1
324 1 1 69 GLU HA 1 1 70 VAL H -0.3896 -0.6896 -0.0896 . . 61 . HA . 62 . HN 1 1
325 1 1 13 LYS HA 1 1 14 VAL H -1.367 -1.667 -1.067 . . 5 . HA . 6 . HN 1 1
326 1 1 24 GLU HA 1 1 25 ILE H 0.15 -0.45 0.75 . . 16 . HA . 17 . HN 1 1
327 1 1 22 GLU HA 1 1 23 LYS H -0.2725 -0.8725 0.3275 . . 14 . HA . 15 . HN 1 1
328 1 1 32 LYS HA 1 1 33 VAL H -0.0954 -0.3954 0.2046 . . 24 . HA . 25 . HN 1 1
329 1 1 54 LYS HA 1 1 55 VAL H -0.3173 -0.6173 -0.0173 . . 46 . HA . 47 . HN 1 1
330 1 1 15 LYS HA 1 1 16 VAL H -0.8575 -1.1575 -0.5575 . . 7 . HA . 8 . HN 1 1
331 1 1 25 ILE HA 1 1 26 GLU H -0.1986 -0.7986 0.4014 . . 17 . HA . 18 . HN 1 1
332 1 1 14 VAL HA 1 1 15 LYS H -0.2153 -0.5153 0.0847 . . 6 . HA . 7 . HN 1 1
333 1 1 21 ILE HA 1 1 22 GLU H -0.8523 -1.1523 -0.5523 . . 13 . HA . 14 . HN 1 1
334 1 1 50 LYS HA 1 1 51 VAL H -1.0389 -1.3389 -0.7389 . . 42 . HA . 43 . HN 1 1
335 1 1 12 ILE HA 1 1 13 LYS H -0.225 -0.525 0.075 . . 4 . HA . 5 . HN 1 1
336 1 1 73 VAL HA 1 1 74 VAL H -0.4986 -0.7986 -0.1986 . . 65 . HA . 66 . HN 1 1
337 1 1 46 SER HA 1 1 47 ALA H 0.3327 0.0327 0.6327 . . 38 . HA . 39 . HN 1 1
338 1 1 55 VAL HA 1 1 56 VAL H 0.766 0.466 1.066 . . 47 . HA . 48 . HN 1 1
339 1 1 66 ASP HA 1 1 67 PHE H -0.5501 -0.8501 -0.2501 . . 58 . HA . 59 . HN 1 1
340 1 1 23 LYS HA 1 1 24 GLU H -0.2517 -0.5517 0.0483 . . 15 . HA . 16 . HN 1 1
341 1 1 56 VAL HA 1 1 57 LEU H 0.3826 0.0826 0.6826 . . 48 . HA . 49 . HN 1 1
342 1 1 74 VAL HA 1 1 75 SER H -0.2466 -0.5466 0.0534 . . 66 . HA . 67 . HN 1 1
343 1 1 60 ASP HA 1 1 61 GLU H -0.7971 -1.0971 -0.4971 . . 52 . HA . 53 . HN 1 1
344 1 1 10 LYS HA 1 1 11 MET H -0.2512 -0.5512 0.0488 . . 2 . HA . 3 . HN 1 1
345 1 1 44 THR HA 1 1 45 GLU H -0.1793 -0.4793 0.1207 . . 36 . HA . 37 . HN 1 1
346 1 1 49 ALA HA 1 1 50 LYS H -0.0932 -0.3932 0.2068 . . 41 . HA . 42 . HN 1 1
347 1 1 47 ALA HA 1 1 48 ILE H 0.1051 -0.1949 0.4051 . . 39 . HA . 40 . HN 1 1
348 1 1 36 ILE HA 1 1 37 LEU H -0.4423 -0.7423 -0.1423 . . 28 . HA . 29 . HN 1 1
349 1 1 33 VAL HA 1 1 34 ARG H 0.0394 -0.2606 0.3394 . . 25 . HA . 26 . HN 1 1
350 1 1 17 ILE HA 1 1 18 GLY H 0.0552 -0.2448 0.3552 . . 9 . HA . 10 . HN 1 1
351 1 1 29 GLU HA 1 1 30 GLY H -0.8527 -1.1527 -0.5527 . . 21 . HA . 22 . HN 1 1
352 1 1 57 LEU HA 1 1 58 GLU H 0.6215 0.3215 0.9215 . . 49 . HA . 50 . HN 1 1
353 1 1 75 SER HA 1 1 76 GLY H -0.3387 -0.6387 -0.0387 . . 67 . HA . 68 . HN 1 1
354 1 1 43 ASN HA 1 1 44 THR H 0.0261 -0.2739 0.3261 . . 35 . HA . 36 . HN 1 1
355 1 1 42 PHE HA 1 1 43 ASN H 0.2042 -0.0958 0.5042 . . 34 . HA . 35 . HN 1 1
356 1 1 64 ASP HA 1 1 65 GLY H 0.2861 -0.0139 0.5861 . . 56 . HA . 57 . HN 1 1
357 1 1 58 GLU HA 1 1 59 ASP H 0.0345 -0.2655 0.3345 . . 50 . HA . 51 . HN 1 1
358 1 1 61 GLU HA 1 1 62 VAL H -0.1556 -0.4556 0.1444 . . 53 . HA . 54 . HN 1 1
359 1 1 27 TRP HA 1 1 28 ARG H 0.0148 -0.2852 0.3148 . . 19 . HA . 20 . HN 1 1
360 1 1 35 ASP HA 1 1 36 ILE H 0.0772 -0.2228 0.3772 . . 27 . HA . 28 . HN 1 1
361 1 1 38 ARG HA 1 1 39 ALA H -0.1765 -0.4765 0.1235 . . 30 . HA . 31 . HN 1 1
362 1 1 28 ARG HA 1 1 29 GLU H 0.3463 0.0463 0.6463 . . 20 . HA . 21 . HN 1 1
363 1 1 59 ASP HA 1 1 60 ASP H 0.0362 -0.2638 0.3362 . . 51 . HA . 52 . HN 1 1
364 1 1 34 ARG HA 1 1 35 ASP H 0.1749 -0.1251 0.4749 . . 26 . HA . 27 . HN 1 1
365 1 1 37 LEU HA 1 1 38 ARG H 0.1996 -0.1004 0.4996 . . 29 . HA . 30 . HN 1 1
366 1 1 20 ASN HA 1 1 21 ILE H 0.459 0.159 0.759 . . 12 . HA . 13 . HN 1 1
367 1 1 39 ALA HA 1 1 40 VAL H -0.3701 -0.6701 -0.0701 . . 31 . HA . 32 . HN 1 1
368 1 1 40 VAL HA 1 1 41 GLY H -0.0083 -0.3083 0.2917 . . 32 . HA . 33 . HN 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 10 LYS C C -0.333 -0.621 -0.242 1.00 . A A . 2 LYS C 1 1
1 2 1 1 10 LYS CA C -0.110 -1.837 0.660 1.00 . A A . 2 LYS CA 1 1
1 3 1 1 10 LYS CB C -0.177 -3.113 -0.182 1.00 . A A . 2 LYS CB 1 1
1 4 1 1 10 LYS H H -0.722 -1.957 2.647 1.00 . A A . 2 LYS H 1 1
1 5 1 1 10 LYS HA H 0.861 -1.764 1.127 1.00 . A A . 2 LYS HA 1 1
1 6 1 1 10 LYS N N -1.166 -1.878 1.710 1.00 . A A . 2 LYS N 1 1
1 7 1 1 10 LYS O O -1.431 -0.364 -0.694 1.00 . A A . 2 LYS O 1 1
1 8 1 1 11 MET C C 1.546 1.244 -2.537 1.00 . A A . 3 MET C 1 1
1 9 1 1 11 MET CA C 0.551 1.327 -1.378 1.00 . A A . 3 MET CA 1 1
1 10 1 1 11 MET CB C 0.822 2.592 -0.561 1.00 . A A . 3 MET CB 1 1
1 11 1 1 11 MET H H 1.578 -0.097 -0.131 1.00 . A A . 3 MET H 1 1
1 12 1 1 11 MET HA H -0.453 1.362 -1.774 1.00 . A A . 3 MET HA 1 1
1 13 1 1 11 MET N N 0.702 0.129 -0.506 1.00 . A A . 3 MET N 1 1
1 14 1 1 11 MET O O 2.582 0.615 -2.437 1.00 . A A . 3 MET O 1 1
1 15 1 1 12 ILE C C 2.340 3.241 -5.369 1.00 . A A . 4 ILE C 1 1
1 16 1 1 12 ILE CA C 2.160 1.829 -4.807 1.00 . A A . 4 ILE CA 1 1
1 17 1 1 12 ILE CB C 1.567 0.925 -5.889 1.00 . A A . 4 ILE CB 1 1
1 18 1 1 12 ILE H H 0.395 2.369 -3.696 1.00 . A A . 4 ILE H 1 1
1 19 1 1 12 ILE HA H 3.120 1.440 -4.502 1.00 . A A . 4 ILE HA 1 1
1 20 1 1 12 ILE N N 1.237 1.871 -3.638 1.00 . A A . 4 ILE N 1 1
1 21 1 1 12 ILE O O 1.485 4.092 -5.222 1.00 . A A . 4 ILE O 1 1
1 22 1 1 13 LYS C C 3.776 4.737 -8.116 1.00 . A A . 5 LYS C 1 1
1 23 1 1 13 LYS CA C 3.677 4.850 -6.594 1.00 . A A . 5 LYS CA 1 1
1 24 1 1 13 LYS CB C 4.981 5.426 -6.037 1.00 . A A . 5 LYS CB 1 1
1 25 1 1 13 LYS H H 4.120 2.793 -6.128 1.00 . A A . 5 LYS H 1 1
1 26 1 1 13 LYS HA H 2.854 5.501 -6.334 1.00 . A A . 5 LYS HA 1 1
1 27 1 1 13 LYS N N 3.444 3.495 -6.017 1.00 . A A . 5 LYS N 1 1
1 28 1 1 13 LYS O O 4.587 3.999 -8.638 1.00 . A A . 5 LYS O 1 1
1 29 1 1 14 VAL C C 3.779 6.571 -10.884 1.00 . A A . 6 VAL C 1 1
1 30 1 1 14 VAL CA C 3.005 5.377 -10.320 1.00 . A A . 6 VAL CA 1 1
1 31 1 1 14 VAL CB C 1.579 5.387 -10.877 1.00 . A A . 6 VAL CB 1 1
1 32 1 1 14 VAL H H 2.307 6.043 -8.392 1.00 . A A . 6 VAL H 1 1
1 33 1 1 14 VAL HA H 3.496 4.461 -10.612 1.00 . A A . 6 VAL HA 1 1
1 34 1 1 14 VAL N N 2.956 5.456 -8.833 1.00 . A A . 6 VAL N 1 1
1 35 1 1 14 VAL O O 3.619 7.692 -10.444 1.00 . A A . 6 VAL O 1 1
1 36 1 1 15 LYS C C 5.591 7.186 -13.954 1.00 . A A . 7 LYS C 1 1
1 37 1 1 15 LYS CA C 5.398 7.454 -12.459 1.00 . A A . 7 LYS CA 1 1
1 38 1 1 15 LYS CB C 6.765 7.543 -11.777 1.00 . A A . 7 LYS CB 1 1
1 39 1 1 15 LYS H H 4.725 5.425 -12.201 1.00 . A A . 7 LYS H 1 1
1 40 1 1 15 LYS HA H 4.864 8.383 -12.325 1.00 . A A . 7 LYS HA 1 1
1 41 1 1 15 LYS N N 4.614 6.338 -11.860 1.00 . A A . 7 LYS N 1 1
1 42 1 1 15 LYS O O 5.642 6.052 -14.386 1.00 . A A . 7 LYS O 1 1
1 43 1 1 16 VAL C C 7.377 7.921 -16.530 1.00 . A A . 8 VAL C 1 1
1 44 1 1 16 VAL CA C 5.883 8.001 -16.212 1.00 . A A . 8 VAL CA 1 1
1 45 1 1 16 VAL CB C 5.251 9.160 -16.987 1.00 . A A . 8 VAL CB 1 1
1 46 1 1 16 VAL H H 5.653 9.124 -14.386 1.00 . A A . 8 VAL H 1 1
1 47 1 1 16 VAL HA H 5.407 7.075 -16.496 1.00 . A A . 8 VAL HA 1 1
1 48 1 1 16 VAL N N 5.697 8.215 -14.749 1.00 . A A . 8 VAL N 1 1
1 49 1 1 16 VAL O O 8.198 8.521 -15.865 1.00 . A A . 8 VAL O 1 1
1 50 1 1 17 ILE C C 9.843 8.432 -17.836 1.00 . A A . 9 ILE C 1 1
1 51 1 1 17 ILE CA C 9.181 7.052 -17.890 1.00 . A A . 9 ILE CA 1 1
1 52 1 1 17 ILE CB C 9.319 6.471 -19.299 1.00 . A A . 9 ILE CB 1 1
1 53 1 1 17 ILE H H 7.060 6.693 -18.059 1.00 . A A . 9 ILE H 1 1
1 54 1 1 17 ILE HA H 9.664 6.397 -17.180 1.00 . A A . 9 ILE HA 1 1
1 55 1 1 17 ILE N N 7.738 7.175 -17.539 1.00 . A A . 9 ILE N 1 1
1 56 1 1 17 ILE O O 9.555 9.301 -18.635 1.00 . A A . 9 ILE O 1 1
1 57 1 1 18 GLY C C 10.401 11.051 -16.475 1.00 . A A . 10 GLY C 1 1
1 58 1 1 18 GLY CA C 11.419 9.956 -16.800 1.00 . A A . 10 GLY CA 1 1
1 59 1 1 18 GLY H H 10.954 7.921 -16.271 1.00 . A A . 10 GLY H 1 1
1 60 1 1 18 GLY HA2 H 12.162 9.913 -16.017 1.00 . A A . 10 GLY HA2 1 1
1 61 1 1 18 GLY HA3 H 11.899 10.185 -17.739 1.00 . A A . 10 GLY HA3 1 1
1 62 1 1 18 GLY N N 10.733 8.637 -16.903 1.00 . A A . 10 GLY N 1 1
1 63 1 1 18 GLY O O 10.441 12.132 -17.029 1.00 . A A . 10 GLY O 1 1
1 64 1 1 19 ARG C C 8.857 12.467 -13.892 1.00 . A A . 11 ARG C 1 1
1 65 1 1 19 ARG CA C 8.475 11.817 -15.223 1.00 . A A . 11 ARG CA 1 1
1 66 1 1 19 ARG CB C 7.101 11.158 -15.092 1.00 . A A . 11 ARG CB 1 1
1 67 1 1 19 ARG H H 9.473 9.909 -15.142 1.00 . A A . 11 ARG H 1 1
1 68 1 1 19 ARG HA H 8.440 12.570 -15.996 1.00 . A A . 11 ARG HA 1 1
1 69 1 1 19 ARG N N 9.489 10.785 -15.580 1.00 . A A . 11 ARG N 1 1
1 70 1 1 19 ARG O O 8.495 13.593 -13.614 1.00 . A A . 11 ARG O 1 1
1 71 1 1 20 ASN C C 8.831 12.234 -10.766 1.00 . A A . 12 ASN C 1 1
1 72 1 1 20 ASN CA C 9.994 12.341 -11.756 1.00 . A A . 12 ASN CA 1 1
1 73 1 1 20 ASN CB C 10.369 13.813 -11.940 1.00 . A A . 12 ASN CB 1 1
1 74 1 1 20 ASN H H 9.869 10.860 -13.312 1.00 . A A . 12 ASN H 1 1
1 75 1 1 20 ASN HA H 10.848 11.798 -11.381 1.00 . A A . 12 ASN HA 1 1
1 76 1 1 20 ASN N N 9.586 11.766 -13.068 1.00 . A A . 12 ASN N 1 1
1 77 1 1 20 ASN O O 8.378 13.221 -10.221 1.00 . A A . 12 ASN O 1 1
1 78 1 1 21 ILE C C 7.620 9.978 -8.423 1.00 . A A . 13 ILE C 1 1
1 79 1 1 21 ILE CA C 7.206 10.893 -9.578 1.00 . A A . 13 ILE CA 1 1
1 80 1 1 21 ILE CB C 6.005 10.287 -10.305 1.00 . A A . 13 ILE CB 1 1
1 81 1 1 21 ILE H H 8.717 10.262 -10.980 1.00 . A A . 13 ILE H 1 1
1 82 1 1 21 ILE HA H 6.936 11.861 -9.183 1.00 . A A . 13 ILE HA 1 1
1 83 1 1 21 ILE N N 8.341 11.048 -10.530 1.00 . A A . 13 ILE N 1 1
1 84 1 1 21 ILE O O 7.569 8.769 -8.522 1.00 . A A . 13 ILE O 1 1
1 85 1 1 22 GLU C C 7.314 9.726 -5.119 1.00 . A A . 14 GLU C 1 1
1 86 1 1 22 GLU CA C 8.441 9.733 -6.153 1.00 . A A . 14 GLU CA 1 1
1 87 1 1 22 GLU CB C 9.700 10.338 -5.529 1.00 . A A . 14 GLU CB 1 1
1 88 1 1 22 GLU H H 8.054 11.533 -7.271 1.00 . A A . 14 GLU H 1 1
1 89 1 1 22 GLU HA H 8.647 8.720 -6.468 1.00 . A A . 14 GLU HA 1 1
1 90 1 1 22 GLU N N 8.026 10.555 -7.325 1.00 . A A . 14 GLU N 1 1
1 91 1 1 22 GLU O O 6.791 10.759 -4.752 1.00 . A A . 14 GLU O 1 1
1 92 1 1 23 LYS C C 6.022 7.265 -2.762 1.00 . A A . 15 LYS C 1 1
1 93 1 1 23 LYS CA C 5.840 8.508 -3.636 1.00 . A A . 15 LYS CA 1 1
1 94 1 1 23 LYS CB C 4.493 8.427 -4.356 1.00 . A A . 15 LYS CB 1 1
1 95 1 1 23 LYS H H 7.368 7.747 -4.952 1.00 . A A . 15 LYS H 1 1
1 96 1 1 23 LYS HA H 5.868 9.402 -3.030 1.00 . A A . 15 LYS HA 1 1
1 97 1 1 23 LYS N N 6.935 8.570 -4.645 1.00 . A A . 15 LYS N 1 1
1 98 1 1 23 LYS O O 5.523 6.202 -3.078 1.00 . A A . 15 LYS O 1 1
1 99 1 1 24 GLU C C 5.657 5.344 -0.795 1.00 . A A . 16 GLU C 1 1
1 100 1 1 24 GLU CA C 6.934 6.187 -0.799 1.00 . A A . 16 GLU CA 1 1
1 101 1 1 24 GLU CB C 7.263 6.638 0.625 1.00 . A A . 16 GLU CB 1 1
1 102 1 1 24 GLU H H 7.131 8.240 -1.432 1.00 . A A . 16 GLU H 1 1
1 103 1 1 24 GLU HA H 7.747 5.595 -1.193 1.00 . A A . 16 GLU HA 1 1
1 104 1 1 24 GLU N N 6.731 7.378 -1.672 1.00 . A A . 16 GLU N 1 1
1 105 1 1 24 GLU O O 4.580 5.834 -1.072 1.00 . A A . 16 GLU O 1 1
1 106 1 1 25 ILE C C 4.710 2.101 0.553 1.00 . A A . 17 ILE C 1 1
1 107 1 1 25 ILE CA C 4.554 3.211 -0.488 1.00 . A A . 17 ILE CA 1 1
1 108 1 1 25 ILE CB C 4.380 2.585 -1.873 1.00 . A A . 17 ILE CB 1 1
1 109 1 1 25 ILE H H 6.645 3.699 -0.282 1.00 . A A . 17 ILE H 1 1
1 110 1 1 25 ILE HA H 3.683 3.805 -0.256 1.00 . A A . 17 ILE HA 1 1
1 111 1 1 25 ILE N N 5.766 4.079 -0.494 1.00 . A A . 17 ILE N 1 1
1 112 1 1 25 ILE O O 5.765 1.517 0.701 1.00 . A A . 17 ILE O 1 1
1 113 1 1 26 GLU C C 3.811 -0.637 1.612 1.00 . A A . 18 GLU C 1 1
1 114 1 1 26 GLU CA C 3.739 0.727 2.302 1.00 . A A . 18 GLU CA 1 1
1 115 1 1 26 GLU CB C 2.490 0.783 3.183 1.00 . A A . 18 GLU CB 1 1
1 116 1 1 26 GLU H H 2.821 2.285 1.134 1.00 . A A . 18 GLU H 1 1
1 117 1 1 26 GLU HA H 4.616 0.872 2.916 1.00 . A A . 18 GLU HA 1 1
1 118 1 1 26 GLU N N 3.663 1.802 1.273 1.00 . A A . 18 GLU N 1 1
1 119 1 1 26 GLU O O 4.563 -0.834 0.679 1.00 . A A . 18 GLU O 1 1
1 120 1 1 27 TRP C C 1.992 -3.812 2.118 1.00 . A A . 19 TRP C 1 1
1 121 1 1 27 TRP CA C 3.045 -2.932 1.439 1.00 . A A . 19 TRP CA 1 1
1 122 1 1 27 TRP CB C 4.428 -3.561 1.616 1.00 . A A . 19 TRP CB 1 1
1 123 1 1 27 TRP H H 2.430 -1.396 2.818 1.00 . A A . 19 TRP H 1 1
1 124 1 1 27 TRP HA H 2.819 -2.845 0.387 1.00 . A A . 19 TRP HA 1 1
1 125 1 1 27 TRP N N 3.029 -1.579 2.065 1.00 . A A . 19 TRP N 1 1
1 126 1 1 27 TRP O O 1.389 -3.425 3.099 1.00 . A A . 19 TRP O 1 1
1 127 1 1 28 ARG C C 1.237 -7.329 2.216 1.00 . A A . 20 ARG C 1 1
1 128 1 1 28 ARG CA C 0.741 -5.881 2.231 1.00 . A A . 20 ARG CA 1 1
1 129 1 1 28 ARG CB C -0.572 -5.783 1.453 1.00 . A A . 20 ARG CB 1 1
1 130 1 1 28 ARG H H 2.251 -5.288 0.812 1.00 . A A . 20 ARG H 1 1
1 131 1 1 28 ARG HA H 0.577 -5.574 3.254 1.00 . A A . 20 ARG HA 1 1
1 132 1 1 28 ARG N N 1.760 -4.990 1.606 1.00 . A A . 20 ARG N 1 1
1 133 1 1 28 ARG O O 1.913 -7.770 3.124 1.00 . A A . 20 ARG O 1 1
1 134 1 1 29 GLU C C 0.451 -10.291 0.208 1.00 . A A . 21 GLU C 1 1
1 135 1 1 29 GLU CA C 1.368 -9.493 1.138 1.00 . A A . 21 GLU CA 1 1
1 136 1 1 29 GLU CB C 1.318 -10.100 2.542 1.00 . A A . 21 GLU CB 1 1
1 137 1 1 29 GLU H H 0.366 -7.708 0.468 1.00 . A A . 21 GLU H 1 1
1 138 1 1 29 GLU HA H 2.381 -9.531 0.767 1.00 . A A . 21 GLU HA 1 1
1 139 1 1 29 GLU N N 0.909 -8.076 1.196 1.00 . A A . 21 GLU N 1 1
1 140 1 1 29 GLU O O -0.735 -10.409 0.443 1.00 . A A . 21 GLU O 1 1
1 141 1 1 30 GLY C C -0.005 -10.873 -3.107 1.00 . A A . 22 GLY C 1 1
1 142 1 1 30 GLY CA C 0.144 -11.632 -1.787 1.00 . A A . 22 GLY CA 1 1
1 143 1 1 30 GLY H H 1.947 -10.736 -1.020 1.00 . A A . 22 GLY H 1 1
1 144 1 1 30 GLY HA2 H 0.611 -12.589 -1.970 1.00 . A A . 22 GLY HA2 1 1
1 145 1 1 30 GLY HA3 H -0.832 -11.785 -1.352 1.00 . A A . 22 GLY HA3 1 1
1 146 1 1 30 GLY N N 0.989 -10.841 -0.847 1.00 . A A . 22 GLY N 1 1
1 147 1 1 30 GLY O O -0.191 -11.460 -4.154 1.00 . A A . 22 GLY O 1 1
1 148 1 1 31 MET C C 1.022 -9.191 -5.314 1.00 . A A . 23 MET C 1 1
1 149 1 1 31 MET CA C -0.061 -8.774 -4.317 1.00 . A A . 23 MET CA 1 1
1 150 1 1 31 MET CB C 0.087 -7.286 -3.994 1.00 . A A . 23 MET CB 1 1
1 151 1 1 31 MET H H 0.227 -9.119 -2.209 1.00 . A A . 23 MET H 1 1
1 152 1 1 31 MET HA H -1.029 -8.952 -4.764 1.00 . A A . 23 MET HA 1 1
1 153 1 1 31 MET N N 0.075 -9.572 -3.065 1.00 . A A . 23 MET N 1 1
1 154 1 1 31 MET O O 1.681 -10.199 -5.149 1.00 . A A . 23 MET O 1 1
1 155 1 1 32 LYS C C 2.341 -7.635 -8.395 1.00 . A A . 24 LYS C 1 1
1 156 1 1 32 LYS CA C 2.226 -8.772 -7.378 1.00 . A A . 24 LYS CA 1 1
1 157 1 1 32 LYS CB C 1.807 -10.055 -8.100 1.00 . A A . 24 LYS CB 1 1
1 158 1 1 32 LYS H H 0.648 -7.623 -6.467 1.00 . A A . 24 LYS H 1 1
1 159 1 1 32 LYS HA H 3.184 -8.926 -6.906 1.00 . A A . 24 LYS HA 1 1
1 160 1 1 32 LYS N N 1.200 -8.425 -6.356 1.00 . A A . 24 LYS N 1 1
1 161 1 1 32 LYS O O 1.357 -7.033 -8.778 1.00 . A A . 24 LYS O 1 1
1 162 1 1 33 VAL C C 2.499 -6.172 -10.754 1.00 . A A . 25 VAL C 1 1
1 163 1 1 33 VAL CA C 3.715 -6.239 -9.827 1.00 . A A . 25 VAL CA 1 1
1 164 1 1 33 VAL CB C 4.972 -6.504 -10.657 1.00 . A A . 25 VAL CB 1 1
1 165 1 1 33 VAL H H 4.314 -7.834 -8.511 1.00 . A A . 25 VAL H 1 1
1 166 1 1 33 VAL HA H 3.821 -5.298 -9.308 1.00 . A A . 25 VAL HA 1 1
1 167 1 1 33 VAL N N 3.534 -7.336 -8.835 1.00 . A A . 25 VAL N 1 1
1 168 1 1 33 VAL O O 1.871 -5.141 -10.892 1.00 . A A . 25 VAL O 1 1
1 169 1 1 34 ARG C C -0.200 -6.593 -11.591 1.00 . A A . 26 ARG C 1 1
1 170 1 1 34 ARG CA C 0.985 -7.243 -12.307 1.00 . A A . 26 ARG CA 1 1
1 171 1 1 34 ARG CB C 0.623 -8.676 -12.703 1.00 . A A . 26 ARG CB 1 1
1 172 1 1 34 ARG H H 2.677 -8.083 -11.270 1.00 . A A . 26 ARG H 1 1
1 173 1 1 34 ARG HA H 1.228 -6.672 -13.191 1.00 . A A . 26 ARG HA 1 1
1 174 1 1 34 ARG N N 2.161 -7.259 -11.392 1.00 . A A . 26 ARG N 1 1
1 175 1 1 34 ARG O O -0.639 -5.517 -11.947 1.00 . A A . 26 ARG O 1 1
1 176 1 1 35 ASP C C -1.666 -5.137 -9.700 1.00 . A A . 27 ASP C 1 1
1 177 1 1 35 ASP CA C -1.873 -6.646 -9.842 1.00 . A A . 27 ASP CA 1 1
1 178 1 1 35 ASP CB C -1.965 -7.280 -8.452 1.00 . A A . 27 ASP CB 1 1
1 179 1 1 35 ASP H H -0.350 -8.100 -10.306 1.00 . A A . 27 ASP H 1 1
1 180 1 1 35 ASP HA H -2.787 -6.834 -10.385 1.00 . A A . 27 ASP HA 1 1
1 181 1 1 35 ASP N N -0.720 -7.234 -10.580 1.00 . A A . 27 ASP N 1 1
1 182 1 1 35 ASP O O -2.409 -4.345 -10.245 1.00 . A A . 27 ASP O 1 1
1 183 1 1 36 ILE C C -0.525 -2.573 -10.155 1.00 . A A . 28 ILE C 1 1
1 184 1 1 36 ILE CA C -0.406 -3.274 -8.801 1.00 . A A . 28 ILE CA 1 1
1 185 1 1 36 ILE CB C 1.001 -3.064 -8.238 1.00 . A A . 28 ILE CB 1 1
1 186 1 1 36 ILE H H -0.071 -5.387 -8.544 1.00 . A A . 28 ILE H 1 1
1 187 1 1 36 ILE HA H -1.133 -2.861 -8.118 1.00 . A A . 28 ILE HA 1 1
1 188 1 1 36 ILE N N -0.660 -4.732 -8.974 1.00 . A A . 28 ILE N 1 1
1 189 1 1 36 ILE O O -1.130 -1.526 -10.272 1.00 . A A . 28 ILE O 1 1
1 190 1 1 37 LEU C C -1.493 -2.517 -12.996 1.00 . A A . 29 LEU C 1 1
1 191 1 1 37 LEU CA C -0.038 -2.509 -12.527 1.00 . A A . 29 LEU CA 1 1
1 192 1 1 37 LEU CB C 0.823 -3.297 -13.516 1.00 . A A . 29 LEU CB 1 1
1 193 1 1 37 LEU H H 0.528 -3.988 -11.067 1.00 . A A . 29 LEU H 1 1
1 194 1 1 37 LEU HA H 0.318 -1.492 -12.469 1.00 . A A . 29 LEU HA 1 1
1 195 1 1 37 LEU N N 0.046 -3.143 -11.181 1.00 . A A . 29 LEU N 1 1
1 196 1 1 37 LEU O O -2.045 -1.497 -13.360 1.00 . A A . 29 LEU O 1 1
1 197 1 1 38 ARG C C -4.399 -2.839 -12.527 1.00 . A A . 30 ARG C 1 1
1 198 1 1 38 ARG CA C -3.543 -3.736 -13.423 1.00 . A A . 30 ARG CA 1 1
1 199 1 1 38 ARG CB C -4.033 -5.181 -13.318 1.00 . A A . 30 ARG CB 1 1
1 200 1 1 38 ARG H H -1.658 -4.469 -12.681 1.00 . A A . 30 ARG H 1 1
1 201 1 1 38 ARG HA H -3.623 -3.401 -14.447 1.00 . A A . 30 ARG HA 1 1
1 202 1 1 38 ARG N N -2.121 -3.660 -12.985 1.00 . A A . 30 ARG N 1 1
1 203 1 1 38 ARG O O -5.542 -2.558 -12.826 1.00 . A A . 30 ARG O 1 1
1 204 1 1 39 ALA C C -4.762 -0.116 -11.130 1.00 . A A . 31 ALA C 1 1
1 205 1 1 39 ALA CA C -4.644 -1.512 -10.517 1.00 . A A . 31 ALA CA 1 1
1 206 1 1 39 ALA CB C -3.945 -1.420 -9.159 1.00 . A A . 31 ALA CB 1 1
1 207 1 1 39 ALA H H -2.932 -2.627 -11.203 1.00 . A A . 31 ALA H 1 1
1 208 1 1 39 ALA HA H -5.633 -1.926 -10.389 1.00 . A A . 31 ALA HA 1 1
1 209 1 1 39 ALA N N -3.856 -2.389 -11.428 1.00 . A A . 31 ALA N 1 1
1 210 1 1 39 ALA O O -5.584 0.683 -10.727 1.00 . A A . 31 ALA O 1 1
1 211 1 1 40 VAL C C -4.609 1.366 -14.158 1.00 . A A . 32 VAL C 1 1
1 212 1 1 40 VAL CA C -4.024 1.521 -12.753 1.00 . A A . 32 VAL CA 1 1
1 213 1 1 40 VAL CB C -2.620 2.123 -12.845 1.00 . A A . 32 VAL CB 1 1
1 214 1 1 40 VAL H H -3.301 -0.480 -12.424 1.00 . A A . 32 VAL H 1 1
1 215 1 1 40 VAL HA H -4.660 2.171 -12.171 1.00 . A A . 32 VAL HA 1 1
1 216 1 1 40 VAL N N -3.952 0.181 -12.109 1.00 . A A . 32 VAL N 1 1
1 217 1 1 40 VAL O O -4.469 2.230 -15.000 1.00 . A A . 32 VAL O 1 1
1 218 1 1 41 GLY C C -4.733 -0.187 -16.777 1.00 . A A . 33 GLY C 1 1
1 219 1 1 41 GLY CA C -5.854 0.049 -15.765 1.00 . A A . 33 GLY CA 1 1
1 220 1 1 41 GLY H H -5.361 -0.421 -13.723 1.00 . A A . 33 GLY H 1 1
1 221 1 1 41 GLY HA2 H -6.506 -0.812 -15.738 1.00 . A A . 33 GLY HA2 1 1
1 222 1 1 41 GLY HA3 H -6.419 0.922 -16.056 1.00 . A A . 33 GLY HA3 1 1
1 223 1 1 41 GLY N N -5.262 0.266 -14.415 1.00 . A A . 33 GLY N 1 1
1 224 1 1 41 GLY O O -4.914 -0.029 -17.968 1.00 . A A . 33 GLY O 1 1
1 225 1 1 42 PHE C C -1.510 -1.872 -16.666 1.00 . A A . 34 PHE C 1 1
1 226 1 1 42 PHE CA C -2.439 -0.805 -17.248 1.00 . A A . 34 PHE CA 1 1
1 227 1 1 42 PHE CB C -1.658 0.495 -17.449 1.00 . A A . 34 PHE CB 1 1
1 228 1 1 42 PHE H H -3.446 -0.683 -15.347 1.00 . A A . 34 PHE H 1 1
1 229 1 1 42 PHE HA H -2.824 -1.143 -18.199 1.00 . A A . 34 PHE HA 1 1
1 230 1 1 42 PHE N N -3.572 -0.562 -16.311 1.00 . A A . 34 PHE N 1 1
1 231 1 1 42 PHE O O -0.696 -1.596 -15.806 1.00 . A A . 34 PHE O 1 1
1 232 1 1 43 ASN C C 0.654 -4.035 -17.233 1.00 . A A . 35 ASN C 1 1
1 233 1 1 43 ASN CA C -0.734 -4.165 -16.602 1.00 . A A . 35 ASN CA 1 1
1 234 1 1 43 ASN CB C -1.329 -5.532 -16.948 1.00 . A A . 35 ASN CB 1 1
1 235 1 1 43 ASN H H -2.278 -3.290 -17.825 1.00 . A A . 35 ASN H 1 1
1 236 1 1 43 ASN HA H -0.648 -4.069 -15.529 1.00 . A A . 35 ASN HA 1 1
1 237 1 1 43 ASN N N -1.618 -3.087 -17.128 1.00 . A A . 35 ASN N 1 1
1 238 1 1 43 ASN O O 1.226 -4.996 -17.706 1.00 . A A . 35 ASN O 1 1
1 239 1 1 44 THR C C 2.523 -3.038 -19.319 1.00 . A A . 36 THR C 1 1
1 240 1 1 44 THR CA C 2.548 -2.647 -17.840 1.00 . A A . 36 THR CA 1 1
1 241 1 1 44 THR CB C 3.568 -3.515 -17.101 1.00 . A A . 36 THR CB 1 1
1 242 1 1 44 THR H H 0.714 -2.088 -16.854 1.00 . A A . 36 THR H 1 1
1 243 1 1 44 THR HA H 2.828 -1.608 -17.750 1.00 . A A . 36 THR HA 1 1
1 244 1 1 44 THR N N 1.197 -2.848 -17.242 1.00 . A A . 36 THR N 1 1
1 245 1 1 44 THR O O 3.271 -3.888 -19.759 1.00 . A A . 36 THR O 1 1
1 246 1 1 45 GLU C C 2.370 -1.694 -22.338 1.00 . A A . 37 GLU C 1 1
1 247 1 1 45 GLU CA C 1.604 -2.753 -21.543 1.00 . A A . 37 GLU CA 1 1
1 248 1 1 45 GLU CB C 0.142 -2.772 -21.995 1.00 . A A . 37 GLU CB 1 1
1 249 1 1 45 GLU H H 1.079 -1.734 -19.720 1.00 . A A . 37 GLU H 1 1
1 250 1 1 45 GLU HA H 2.047 -3.721 -21.714 1.00 . A A . 37 GLU HA 1 1
1 251 1 1 45 GLU N N 1.671 -2.421 -20.092 1.00 . A A . 37 GLU N 1 1
1 252 1 1 45 GLU O O 3.026 -1.986 -23.318 1.00 . A A . 37 GLU O 1 1
1 253 1 1 46 SER C C 4.309 0.946 -21.914 1.00 . A A . 38 SER C 1 1
1 254 1 1 46 SER CA C 2.994 0.632 -22.631 1.00 . A A . 38 SER CA 1 1
1 255 1 1 46 SER CB C 2.113 1.883 -22.634 1.00 . A A . 38 SER CB 1 1
1 256 1 1 46 SER H H 1.742 -0.263 -21.124 1.00 . A A . 38 SER H 1 1
1 257 1 1 46 SER HA H 3.192 0.336 -23.650 1.00 . A A . 38 SER HA 1 1
1 258 1 1 46 SER N N 2.283 -0.465 -21.916 1.00 . A A . 38 SER N 1 1
1 259 1 1 46 SER O O 4.553 2.070 -21.521 1.00 . A A . 38 SER O 1 1
1 260 1 1 47 ALA C C 6.964 -1.060 -20.392 1.00 . A A . 39 ALA C 1 1
1 261 1 1 47 ALA CA C 6.445 0.230 -21.031 1.00 . A A . 39 ALA CA 1 1
1 262 1 1 47 ALA CB C 6.220 1.273 -19.933 1.00 . A A . 39 ALA CB 1 1
1 263 1 1 47 ALA H H 4.942 -0.933 -22.051 1.00 . A A . 39 ALA H 1 1
1 264 1 1 47 ALA HA H 7.180 0.604 -21.728 1.00 . A A . 39 ALA HA 1 1
1 265 1 1 47 ALA N N 5.156 -0.031 -21.733 1.00 . A A . 39 ALA N 1 1
1 266 1 1 47 ALA O O 6.218 -1.985 -20.137 1.00 . A A . 39 ALA O 1 1
1 267 1 1 48 ILE C C 8.826 -2.156 -17.974 1.00 . A A . 40 ILE C 1 1
1 268 1 1 48 ILE CA C 8.819 -2.339 -19.494 1.00 . A A . 40 ILE CA 1 1
1 269 1 1 48 ILE CB C 10.253 -2.535 -19.989 1.00 . A A . 40 ILE CB 1 1
1 270 1 1 48 ILE H H 8.818 -0.357 -20.335 1.00 . A A . 40 ILE H 1 1
1 271 1 1 48 ILE HA H 8.225 -3.202 -19.757 1.00 . A A . 40 ILE HA 1 1
1 272 1 1 48 ILE N N 8.240 -1.120 -20.125 1.00 . A A . 40 ILE N 1 1
1 273 1 1 48 ILE O O 9.646 -1.439 -17.435 1.00 . A A . 40 ILE O 1 1
1 274 1 1 49 ALA C C 9.262 -2.977 -15.212 1.00 . A A . 41 ALA C 1 1
1 275 1 1 49 ALA CA C 7.890 -2.628 -15.795 1.00 . A A . 41 ALA CA 1 1
1 276 1 1 49 ALA CB C 6.831 -3.559 -15.202 1.00 . A A . 41 ALA CB 1 1
1 277 1 1 49 ALA H H 7.261 -3.359 -17.722 1.00 . A A . 41 ALA H 1 1
1 278 1 1 49 ALA HA H 7.647 -1.604 -15.552 1.00 . A A . 41 ALA HA 1 1
1 279 1 1 49 ALA N N 7.921 -2.787 -17.276 1.00 . A A . 41 ALA N 1 1
1 280 1 1 49 ALA O O 9.834 -4.004 -15.517 1.00 . A A . 41 ALA O 1 1
1 281 1 1 50 LYS C C 11.203 -1.769 -12.385 1.00 . A A . 42 LYS C 1 1
1 282 1 1 50 LYS CA C 11.126 -2.411 -13.771 1.00 . A A . 42 LYS CA 1 1
1 283 1 1 50 LYS CB C 12.224 -1.831 -14.665 1.00 . A A . 42 LYS CB 1 1
1 284 1 1 50 LYS H H 9.314 -1.305 -14.140 1.00 . A A . 42 LYS H 1 1
1 285 1 1 50 LYS HA H 11.261 -3.478 -13.681 1.00 . A A . 42 LYS HA 1 1
1 286 1 1 50 LYS N N 9.793 -2.128 -14.374 1.00 . A A . 42 LYS N 1 1
1 287 1 1 50 LYS O O 10.730 -0.671 -12.172 1.00 . A A . 42 LYS O 1 1
1 288 1 1 51 VAL C C 13.351 -1.919 -9.592 1.00 . A A . 43 VAL C 1 1
1 289 1 1 51 VAL CA C 11.897 -1.870 -10.067 1.00 . A A . 43 VAL CA 1 1
1 290 1 1 51 VAL CB C 11.020 -2.677 -9.108 1.00 . A A . 43 VAL CB 1 1
1 291 1 1 51 VAL H H 12.169 -3.331 -11.628 1.00 . A A . 43 VAL H 1 1
1 292 1 1 51 VAL HA H 11.561 -0.844 -10.083 1.00 . A A . 43 VAL HA 1 1
1 293 1 1 51 VAL N N 11.795 -2.445 -11.438 1.00 . A A . 43 VAL N 1 1
1 294 1 1 51 VAL O O 14.109 -2.792 -9.963 1.00 . A A . 43 VAL O 1 1
1 295 1 1 52 ASN C C 16.123 -1.025 -9.437 1.00 . A A . 44 ASN C 1 1
1 296 1 1 52 ASN CA C 15.143 -0.967 -8.263 1.00 . A A . 44 ASN CA 1 1
1 297 1 1 52 ASN CB C 15.370 -2.170 -7.346 1.00 . A A . 44 ASN CB 1 1
1 298 1 1 52 ASN H H 13.110 -0.290 -8.484 1.00 . A A . 44 ASN H 1 1
1 299 1 1 52 ASN HA H 15.310 -0.055 -7.708 1.00 . A A . 44 ASN HA 1 1
1 300 1 1 52 ASN N N 13.742 -0.983 -8.770 1.00 . A A . 44 ASN N 1 1
1 301 1 1 52 ASN O O 17.186 -1.605 -9.340 1.00 . A A . 44 ASN O 1 1
1 302 1 1 53 GLY C C 16.675 -1.815 -12.382 1.00 . A A . 45 GLY C 1 1
1 303 1 1 53 GLY CA C 16.703 -0.440 -11.714 1.00 . A A . 45 GLY CA 1 1
1 304 1 1 53 GLY H H 14.922 0.046 -10.603 1.00 . A A . 45 GLY H 1 1
1 305 1 1 53 GLY HA2 H 16.395 0.313 -12.425 1.00 . A A . 45 GLY HA2 1 1
1 306 1 1 53 GLY HA3 H 17.707 -0.230 -11.380 1.00 . A A . 45 GLY HA3 1 1
1 307 1 1 53 GLY N N 15.781 -0.422 -10.543 1.00 . A A . 45 GLY N 1 1
1 308 1 1 53 GLY O O 17.288 -2.029 -13.409 1.00 . A A . 45 GLY O 1 1
1 309 1 1 54 LYS C C 14.613 -4.246 -13.223 1.00 . A A . 46 LYS C 1 1
1 310 1 1 54 LYS CA C 15.905 -4.109 -12.415 1.00 . A A . 46 LYS CA 1 1
1 311 1 1 54 LYS CB C 15.936 -5.168 -11.311 1.00 . A A . 46 LYS CB 1 1
1 312 1 1 54 LYS H H 15.481 -2.556 -10.982 1.00 . A A . 46 LYS H 1 1
1 313 1 1 54 LYS HA H 16.746 -4.250 -13.077 1.00 . A A . 46 LYS HA 1 1
1 314 1 1 54 LYS N N 15.969 -2.750 -11.809 1.00 . A A . 46 LYS N 1 1
1 315 1 1 54 LYS O O 13.573 -3.744 -12.845 1.00 . A A . 46 LYS O 1 1
1 316 1 1 55 VAL C C 12.727 -6.371 -14.778 1.00 . A A . 47 VAL C 1 1
1 317 1 1 55 VAL CA C 13.457 -5.088 -15.180 1.00 . A A . 47 VAL CA 1 1
1 318 1 1 55 VAL CB C 13.864 -5.175 -16.653 1.00 . A A . 47 VAL CB 1 1
1 319 1 1 55 VAL H H 15.527 -5.313 -14.626 1.00 . A A . 47 VAL H 1 1
1 320 1 1 55 VAL HA H 12.802 -4.242 -15.038 1.00 . A A . 47 VAL HA 1 1
1 321 1 1 55 VAL N N 14.676 -4.919 -14.339 1.00 . A A . 47 VAL N 1 1
1 322 1 1 55 VAL O O 13.315 -7.293 -14.248 1.00 . A A . 47 VAL O 1 1
1 323 1 1 56 VAL C C 9.515 -7.832 -15.646 1.00 . A A . 48 VAL C 1 1
1 324 1 1 56 VAL CA C 10.678 -7.657 -14.666 1.00 . A A . 48 VAL CA 1 1
1 325 1 1 56 VAL CB C 10.131 -7.511 -13.245 1.00 . A A . 48 VAL CB 1 1
1 326 1 1 56 VAL H H 10.997 -5.679 -15.460 1.00 . A A . 48 VAL H 1 1
1 327 1 1 56 VAL HA H 11.326 -8.519 -14.717 1.00 . A A . 48 VAL HA 1 1
1 328 1 1 56 VAL N N 11.449 -6.435 -15.030 1.00 . A A . 48 VAL N 1 1
1 329 1 1 56 VAL O O 9.319 -7.029 -16.537 1.00 . A A . 48 VAL O 1 1
1 330 1 1 57 LEU C C 6.298 -8.654 -15.730 1.00 . A A . 49 LEU C 1 1
1 331 1 1 57 LEU CA C 7.595 -9.086 -16.418 1.00 . A A . 49 LEU CA 1 1
1 332 1 1 57 LEU CB C 7.508 -10.568 -16.790 1.00 . A A . 49 LEU CB 1 1
1 333 1 1 57 LEU H H 8.913 -9.509 -14.767 1.00 . A A . 49 LEU H 1 1
1 334 1 1 57 LEU HA H 7.742 -8.498 -17.312 1.00 . A A . 49 LEU HA 1 1
1 335 1 1 57 LEU N N 8.741 -8.871 -15.491 1.00 . A A . 49 LEU N 1 1
1 336 1 1 57 LEU O O 6.272 -8.397 -14.543 1.00 . A A . 49 LEU O 1 1
1 337 1 1 58 GLU C C 3.543 -9.147 -14.748 1.00 . A A . 50 GLU C 1 1
1 338 1 1 58 GLU CA C 3.929 -8.156 -15.849 1.00 . A A . 50 GLU CA 1 1
1 339 1 1 58 GLU CB C 2.838 -8.137 -16.922 1.00 . A A . 50 GLU CB 1 1
1 340 1 1 58 GLU H H 5.261 -8.784 -17.419 1.00 . A A . 50 GLU H 1 1
1 341 1 1 58 GLU HA H 4.032 -7.169 -15.424 1.00 . A A . 50 GLU HA 1 1
1 342 1 1 58 GLU N N 5.221 -8.572 -16.464 1.00 . A A . 50 GLU N 1 1
1 343 1 1 58 GLU O O 2.835 -8.812 -13.820 1.00 . A A . 50 GLU O 1 1
1 344 1 1 59 ASP C C 4.770 -11.442 -12.759 1.00 . A A . 51 ASP C 1 1
1 345 1 1 59 ASP CA C 3.655 -11.374 -13.805 1.00 . A A . 51 ASP CA 1 1
1 346 1 1 59 ASP CB C 3.491 -12.746 -14.462 1.00 . A A . 51 ASP CB 1 1
1 347 1 1 59 ASP H H 4.569 -10.617 -15.602 1.00 . A A . 51 ASP H 1 1
1 348 1 1 59 ASP HA H 2.726 -11.093 -13.329 1.00 . A A . 51 ASP HA 1 1
1 349 1 1 59 ASP N N 4.001 -10.365 -14.845 1.00 . A A . 51 ASP N 1 1
1 350 1 1 59 ASP O O 4.734 -12.250 -11.853 1.00 . A A . 51 ASP O 1 1
1 351 1 1 60 ASP C C 6.414 -9.925 -10.598 1.00 . A A . 52 ASP C 1 1
1 352 1 1 60 ASP CA C 6.871 -10.621 -11.881 1.00 . A A . 52 ASP CA 1 1
1 353 1 1 60 ASP CB C 8.086 -9.890 -12.456 1.00 . A A . 52 ASP CB 1 1
1 354 1 1 60 ASP H H 5.773 -9.951 -13.609 1.00 . A A . 52 ASP H 1 1
1 355 1 1 60 ASP HA H 7.137 -11.644 -11.659 1.00 . A A . 52 ASP HA 1 1
1 356 1 1 60 ASP N N 5.760 -10.599 -12.874 1.00 . A A . 52 ASP N 1 1
1 357 1 1 60 ASP O O 6.420 -8.714 -10.502 1.00 . A A . 52 ASP O 1 1
1 358 1 1 61 GLU C C 6.443 -8.864 -7.997 1.00 . A A . 53 GLU C 1 1
1 359 1 1 61 GLU CA C 5.555 -10.063 -8.337 1.00 . A A . 53 GLU CA 1 1
1 360 1 1 61 GLU CB C 5.643 -11.096 -7.212 1.00 . A A . 53 GLU CB 1 1
1 361 1 1 61 GLU H H 6.017 -11.656 -9.709 1.00 . A A . 53 GLU H 1 1
1 362 1 1 61 GLU HA H 4.531 -9.737 -8.445 1.00 . A A . 53 GLU HA 1 1
1 363 1 1 61 GLU N N 6.015 -10.681 -9.612 1.00 . A A . 53 GLU N 1 1
1 364 1 1 61 GLU O O 7.577 -8.777 -8.424 1.00 . A A . 53 GLU O 1 1
1 365 1 1 62 VAL C C 6.791 -6.638 -5.323 1.00 . A A . 54 VAL C 1 1
1 366 1 1 62 VAL CA C 6.749 -6.751 -6.847 1.00 . A A . 54 VAL CA 1 1
1 367 1 1 62 VAL CB C 6.115 -5.489 -7.437 1.00 . A A . 54 VAL CB 1 1
1 368 1 1 62 VAL H H 5.022 -8.035 -6.886 1.00 . A A . 54 VAL H 1 1
1 369 1 1 62 VAL HA H 7.755 -6.861 -7.222 1.00 . A A . 54 VAL HA 1 1
1 370 1 1 62 VAL N N 5.937 -7.942 -7.224 1.00 . A A . 54 VAL N 1 1
1 371 1 1 62 VAL O O 5.971 -7.202 -4.625 1.00 . A A . 54 VAL O 1 1
1 372 1 1 63 LYS C C 8.445 -4.407 -2.981 1.00 . A A . 55 LYS C 1 1
1 373 1 1 63 LYS CA C 7.846 -5.773 -3.320 1.00 . A A . 55 LYS CA 1 1
1 374 1 1 63 LYS CB C 8.748 -6.876 -2.763 1.00 . A A . 55 LYS CB 1 1
1 375 1 1 63 LYS H H 8.398 -5.475 -5.379 1.00 . A A . 55 LYS H 1 1
1 376 1 1 63 LYS HA H 6.864 -5.855 -2.877 1.00 . A A . 55 LYS HA 1 1
1 377 1 1 63 LYS N N 7.744 -5.919 -4.799 1.00 . A A . 55 LYS N 1 1
1 378 1 1 63 LYS O O 8.276 -3.447 -3.706 1.00 . A A . 55 LYS O 1 1
1 379 1 1 64 ASP C C 8.895 -1.861 -1.970 1.00 . A A . 56 ASP C 1 1
1 380 1 1 64 ASP CA C 9.765 -3.022 -1.487 1.00 . A A . 56 ASP CA 1 1
1 381 1 1 64 ASP CB C 11.158 -2.909 -2.110 1.00 . A A . 56 ASP CB 1 1
1 382 1 1 64 ASP H H 9.271 -5.112 -1.322 1.00 . A A . 56 ASP H 1 1
1 383 1 1 64 ASP HA H 9.848 -2.981 -0.412 1.00 . A A . 56 ASP HA 1 1
1 384 1 1 64 ASP N N 9.147 -4.319 -1.884 1.00 . A A . 56 ASP N 1 1
1 385 1 1 64 ASP O O 9.384 -0.792 -2.275 1.00 . A A . 56 ASP O 1 1
1 386 1 1 65 GLY C C 7.149 -0.522 -3.911 1.00 . A A . 57 GLY C 1 1
1 387 1 1 65 GLY CA C 6.714 -0.967 -2.514 1.00 . A A . 57 GLY CA 1 1
1 388 1 1 65 GLY H H 7.231 -2.933 -1.801 1.00 . A A . 57 GLY H 1 1
1 389 1 1 65 GLY HA2 H 5.694 -1.325 -2.548 1.00 . A A . 57 GLY HA2 1 1
1 390 1 1 65 GLY HA3 H 6.781 -0.130 -1.837 1.00 . A A . 57 GLY HA3 1 1
1 391 1 1 65 GLY N N 7.608 -2.063 -2.046 1.00 . A A . 57 GLY N 1 1
1 392 1 1 65 GLY O O 7.659 0.565 -4.098 1.00 . A A . 57 GLY O 1 1
1 393 1 1 66 ASP C C 6.467 0.169 -6.764 1.00 . A A . 58 ASP C 1 1
1 394 1 1 66 ASP CA C 7.349 -0.983 -6.282 1.00 . A A . 58 ASP CA 1 1
1 395 1 1 66 ASP CB C 7.170 -2.187 -7.208 1.00 . A A . 58 ASP CB 1 1
1 396 1 1 66 ASP H H 6.534 -2.225 -4.723 1.00 . A A . 58 ASP H 1 1
1 397 1 1 66 ASP HA H 8.384 -0.672 -6.287 1.00 . A A . 58 ASP HA 1 1
1 398 1 1 66 ASP N N 6.949 -1.355 -4.896 1.00 . A A . 58 ASP N 1 1
1 399 1 1 66 ASP O O 5.369 0.363 -6.282 1.00 . A A . 58 ASP O 1 1
1 400 1 1 67 PHE C C 5.097 1.572 -9.219 1.00 . A A . 59 PHE C 1 1
1 401 1 1 67 PHE CA C 6.112 2.082 -8.194 1.00 . A A . 59 PHE CA 1 1
1 402 1 1 67 PHE CB C 7.021 3.125 -8.847 1.00 . A A . 59 PHE CB 1 1
1 403 1 1 67 PHE H H 7.828 0.778 -8.078 1.00 . A A . 59 PHE H 1 1
1 404 1 1 67 PHE HA H 5.606 2.524 -7.349 1.00 . A A . 59 PHE HA 1 1
1 405 1 1 67 PHE N N 6.937 0.942 -7.704 1.00 . A A . 59 PHE N 1 1
1 406 1 1 67 PHE O O 4.645 0.446 -9.157 1.00 . A A . 59 PHE O 1 1
1 407 1 1 68 VAL C C 4.088 2.722 -12.507 1.00 . A A . 60 VAL C 1 1
1 408 1 1 68 VAL CA C 3.771 1.972 -11.212 1.00 . A A . 60 VAL CA 1 1
1 409 1 1 68 VAL CB C 2.350 2.308 -10.755 1.00 . A A . 60 VAL CB 1 1
1 410 1 1 68 VAL H H 5.131 3.295 -10.198 1.00 . A A . 60 VAL H 1 1
1 411 1 1 68 VAL HA H 3.858 0.908 -11.377 1.00 . A A . 60 VAL HA 1 1
1 412 1 1 68 VAL N N 4.746 2.394 -10.169 1.00 . A A . 60 VAL N 1 1
1 413 1 1 68 VAL O O 3.643 3.834 -12.715 1.00 . A A . 60 VAL O 1 1
1 414 1 1 69 GLU C C 4.130 2.574 -15.697 1.00 . A A . 61 GLU C 1 1
1 415 1 1 69 GLU CA C 5.213 2.825 -14.647 1.00 . A A . 61 GLU CA 1 1
1 416 1 1 69 GLU CB C 6.554 2.300 -15.161 1.00 . A A . 61 GLU CB 1 1
1 417 1 1 69 GLU H H 5.219 1.239 -13.190 1.00 . A A . 61 GLU H 1 1
1 418 1 1 69 GLU HA H 5.290 3.886 -14.462 1.00 . A A . 61 GLU HA 1 1
1 419 1 1 69 GLU N N 4.862 2.132 -13.376 1.00 . A A . 61 GLU N 1 1
1 420 1 1 69 GLU O O 3.805 1.447 -16.015 1.00 . A A . 61 GLU O 1 1
1 421 1 1 70 VAL C C 2.667 4.534 -18.343 1.00 . A A . 62 VAL C 1 1
1 422 1 1 70 VAL CA C 2.514 3.451 -17.275 1.00 . A A . 62 VAL CA 1 1
1 423 1 1 70 VAL CB C 1.136 3.567 -16.620 1.00 . A A . 62 VAL CB 1 1
1 424 1 1 70 VAL H H 3.854 4.520 -15.968 1.00 . A A . 62 VAL H 1 1
1 425 1 1 70 VAL HA H 2.616 2.478 -17.732 1.00 . A A . 62 VAL HA 1 1
1 426 1 1 70 VAL N N 3.573 3.621 -16.241 1.00 . A A . 62 VAL N 1 1
1 427 1 1 70 VAL O O 2.349 5.686 -18.122 1.00 . A A . 62 VAL O 1 1
1 428 1 1 71 ILE C C 4.478 4.729 -21.501 1.00 . A A . 63 ILE C 1 1
1 429 1 1 71 ILE CA C 3.334 5.173 -20.587 1.00 . A A . 63 ILE CA 1 1
1 430 1 1 71 ILE CB C 3.671 6.538 -19.982 1.00 . A A . 63 ILE CB 1 1
1 431 1 1 71 ILE H H 3.403 3.235 -19.649 1.00 . A A . 63 ILE H 1 1
1 432 1 1 71 ILE HA H 2.426 5.249 -21.166 1.00 . A A . 63 ILE HA 1 1
1 433 1 1 71 ILE N N 3.154 4.171 -19.498 1.00 . A A . 63 ILE N 1 1
1 434 1 1 71 ILE O O 5.414 4.085 -21.070 1.00 . A A . 63 ILE O 1 1
1 435 1 1 72 PRO C C 6.859 4.855 -23.219 1.00 . A A . 64 PRO C 1 1
1 436 1 1 72 PRO CA C 5.436 4.712 -23.765 1.00 . A A . 64 PRO CA 1 1
1 437 1 1 72 PRO CB C 5.195 5.710 -24.897 1.00 . A A . 64 PRO CB 1 1
1 438 1 1 72 PRO HA H 5.272 3.710 -24.130 1.00 . A A . 64 PRO HA 1 1
1 439 1 1 72 PRO N N 4.399 5.074 -22.758 1.00 . A A . 64 PRO N 1 1
1 440 1 1 72 PRO O O 7.507 5.866 -23.406 1.00 . A A . 64 PRO O 1 1
1 441 1 1 73 VAL C C 9.714 3.337 -23.018 1.00 . A A . 65 VAL C 1 1
1 442 1 1 73 VAL CA C 8.736 3.929 -22.001 1.00 . A A . 65 VAL CA 1 1
1 443 1 1 73 VAL CB C 8.815 3.137 -20.694 1.00 . A A . 65 VAL CB 1 1
1 444 1 1 73 VAL H H 6.817 3.041 -22.413 1.00 . A A . 65 VAL H 1 1
1 445 1 1 73 VAL HA H 8.991 4.962 -21.814 1.00 . A A . 65 VAL HA 1 1
1 446 1 1 73 VAL N N 7.353 3.850 -22.550 1.00 . A A . 65 VAL N 1 1
1 447 1 1 73 VAL O O 10.729 2.771 -22.664 1.00 . A A . 65 VAL O 1 1
1 448 1 1 74 VAL C C 11.365 3.959 -25.704 1.00 . A A . 66 VAL C 1 1
1 449 1 1 74 VAL CA C 10.318 2.910 -25.325 1.00 . A A . 66 VAL CA 1 1
1 450 1 1 74 VAL CB C 9.500 2.537 -26.563 1.00 . A A . 66 VAL CB 1 1
1 451 1 1 74 VAL H H 8.587 3.925 -24.542 1.00 . A A . 66 VAL H 1 1
1 452 1 1 74 VAL HA H 10.814 2.030 -24.943 1.00 . A A . 66 VAL HA 1 1
1 453 1 1 74 VAL N N 9.412 3.465 -24.280 1.00 . A A . 66 VAL N 1 1
1 454 1 1 74 VAL O O 11.277 5.108 -25.318 1.00 . A A . 66 VAL O 1 1
1 455 1 1 75 SER C C 14.368 3.876 -27.853 1.00 . A A . 67 SER C 1 1
1 456 1 1 75 SER CA C 13.411 4.545 -26.863 1.00 . A A . 67 SER CA 1 1
1 457 1 1 75 SER CB C 14.191 4.997 -25.627 1.00 . A A . 67 SER CB 1 1
1 458 1 1 75 SER H H 12.410 2.641 -26.758 1.00 . A A . 67 SER H 1 1
1 459 1 1 75 SER HA H 12.952 5.402 -27.333 1.00 . A A . 67 SER HA 1 1
1 460 1 1 75 SER N N 12.358 3.572 -26.458 1.00 . A A . 67 SER N 1 1
1 461 1 1 75 SER O O 14.726 2.725 -27.704 1.00 . A A . 67 SER O 1 1
1 462 1 1 76 GLY C C 17.057 4.730 -29.811 1.00 . A A . 68 GLY C 1 1
1 463 1 1 76 GLY CA C 15.716 3.995 -29.862 1.00 . A A . 68 GLY CA 1 1
1 464 1 1 76 GLY H H 14.483 5.517 -28.966 1.00 . A A . 68 GLY H 1 1
1 465 1 1 76 GLY HA2 H 15.868 2.950 -29.633 1.00 . A A . 68 GLY HA2 1 1
1 466 1 1 76 GLY HA3 H 15.295 4.091 -30.851 1.00 . A A . 68 GLY HA3 1 1
1 467 1 1 76 GLY N N 14.784 4.590 -28.863 1.00 . A A . 68 GLY N 1 1
1 468 1 1 76 GLY O O 17.213 5.796 -30.372 1.00 . A A . 68 GLY O 1 1
1 469 1 1 77 GLY C C 20.368 4.076 -29.919 1.00 . A A . 69 GLY C 1 1
1 470 1 1 77 GLY CA C 19.357 4.836 -29.058 1.00 . A A . 69 GLY CA 1 1
1 471 1 1 77 GLY H H 17.882 3.308 -28.698 1.00 . A A . 69 GLY H 1 1
1 472 1 1 77 GLY HA2 H 19.271 5.853 -29.413 1.00 . A A . 69 GLY HA2 1 1
1 473 1 1 77 GLY HA3 H 19.694 4.839 -28.032 1.00 . A A . 69 GLY HA3 1 1
1 474 1 1 77 GLY N N 18.027 4.168 -29.143 1.00 . A A . 69 GLY N 1 1
1 475 1 1 77 GLY O O 21.378 4.663 -30.269 1.00 . A A . 69 GLY O 1 1
stop_
save_
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