NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
645150 |
6q8l   |
34337 | cing | 4-filtered-FRED | STAR | entry | full | 107 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6q8l
# This FRED archive file contains, for PDB entry <6q8l>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_6q8l
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6q8l
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1472.69
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 $ACE_ARG_PRO_LEU_ASP_THR_VAL_GLN_ARG_PRO_LYS_GLY_TYR_NH2 A . 1 1
stop_
save_
save_ACE_ARG_PRO_LEU_ASP_THR_VAL_GLN_ARG_PRO_LYS_GLY_TYR_NH2
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "ACE ARG PRO LEU ASP THR VAL GLN ARG PRO LYS GLY TYR NH2"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XRPLDTVQRPKGYX
_Entity.Number_of_monomers 14
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 ACE $ACE 1 1
2 ARG . 1 1
3 PRO . 1 1
4 LEU . 1 1
5 ASP . 1 1
6 THR . 1 1
7 VAL . 1 1
8 GLN . 1 1
9 ARG . 1 1
10 PRO . 1 1
11 LYS . 1 1
12 GLY . 1 1
13 TYR . 1 1
14 NH2 $NH2 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
ACE 1 1 1 1
ARG 2 2 1 1
PRO 3 3 1 1
LEU 4 4 1 1
ASP 5 5 1 1
THR 6 6 1 1
VAL 7 7 1 1
GLN 8 8 1 1
ARG 9 9 1 1
PRO 10 10 1 1
LYS 11 11 1 1
GLY 12 12 1 1
TYR 13 13 1 1
NH2 14 14 1 1
stop_
save_
save_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ACE
_Chem_comp.Type non-polymer
save_
save_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NH2
_Chem_comp.Type non-polymer
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
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 2 ARG H . 1 ARG+ HN 1 1
1 1 2 1 1 3 PRO QD . 2 PRO QD 1 1
2 1 1 1 1 2 ARG HA . 1 ARG+ HA 1 1
2 1 2 1 1 2 ARG HG2 . 1 ARG+ HG2 1 1
3 1 1 1 1 2 ARG HA . 1 ARG+ HA 1 1
3 1 2 1 1 2 ARG QG . 1 ARG+ QG 1 1
4 1 1 1 1 2 ARG HA . 1 ARG+ HA 1 1
4 1 2 1 1 2 ARG HG3 . 1 ARG+ HG3 1 1
5 1 1 1 1 2 ARG HA . 1 ARG+ HA 1 1
5 1 2 1 1 3 PRO HD2 . 2 PRO HD2 1 1
6 1 1 1 1 2 ARG HA . 1 ARG+ HA 1 1
6 1 2 1 1 3 PRO QD . 2 PRO QD 1 1
7 1 1 1 1 2 ARG HA . 1 ARG+ HA 1 1
7 1 2 1 1 3 PRO HD3 . 2 PRO HD3 1 1
8 1 1 1 1 3 PRO HA . 2 PRO HA 1 1
8 1 2 1 1 4 LEU H . 3 LEU HN 1 1
9 1 1 1 1 3 PRO HA . 2 PRO HA 1 1
9 1 2 1 1 6 THR MG . 5 THR QG2 1 1
10 1 1 1 1 3 PRO QB . 2 PRO QB 1 1
10 1 2 1 1 4 LEU H . 3 LEU HN 1 1
11 1 1 1 1 3 PRO QD . 2 PRO QD 1 1
11 1 2 1 1 4 LEU H . 3 LEU HN 1 1
12 1 1 1 1 3 PRO HD2 . 2 PRO HD2 1 1
12 1 2 1 1 4 LEU H . 3 LEU HN 1 1
13 1 1 1 1 3 PRO HD3 . 2 PRO HD3 1 1
13 1 2 1 1 4 LEU H . 3 LEU HN 1 1
14 1 1 1 1 4 LEU H . 3 LEU HN 1 1
14 1 2 1 1 4 LEU MD1 . 3 LEU QD1 1 1
15 1 1 1 1 4 LEU H . 3 LEU HN 1 1
15 1 2 1 1 4 LEU QD . 3 LEU QQD 1 1
16 1 1 1 1 4 LEU H . 3 LEU HN 1 1
16 1 2 1 1 4 LEU MD2 . 3 LEU QD2 1 1
17 1 1 1 1 4 LEU H . 3 LEU HN 1 1
17 1 2 1 1 4 LEU HG . 3 LEU HG 1 1
18 1 1 1 1 4 LEU HA . 3 LEU HA 1 1
18 1 2 1 1 4 LEU MD1 . 3 LEU QD1 1 1
19 1 1 1 1 4 LEU HA . 3 LEU HA 1 1
19 1 2 1 1 4 LEU QD . 3 LEU QQD 1 1
20 1 1 1 1 4 LEU HA . 3 LEU HA 1 1
20 1 2 1 1 4 LEU MD2 . 3 LEU QD2 1 1
21 1 1 1 1 4 LEU HA . 3 LEU HA 1 1
21 1 2 1 1 4 LEU HG . 3 LEU HG 1 1
22 1 1 1 1 4 LEU HA . 3 LEU HA 1 1
22 1 2 1 1 5 ASP QB . 4 ASP QB 1 1
23 1 1 1 1 4 LEU HA . 3 LEU HA 1 1
23 1 2 1 1 6 THR H . 5 THR HN 1 1
24 1 1 1 1 4 LEU HA . 3 LEU HA 1 1
24 1 2 1 1 7 VAL H . 6 VAL HN 1 1
25 1 1 1 1 4 LEU HA . 3 LEU HA 1 1
25 1 2 1 1 7 VAL HB . 6 VAL HB 1 1
26 1 1 1 1 4 LEU HA . 3 LEU HA 1 1
26 1 2 1 1 7 VAL QG . 6 VAL QQG 1 1
27 1 1 1 1 5 ASP H . 4 ASP HN 1 1
27 1 2 1 1 6 THR H . 5 THR HN 1 1
28 1 1 1 1 5 ASP HA . 4 ASP HA 1 1
28 1 2 1 1 6 THR H . 5 THR HN 1 1
29 1 1 1 1 5 ASP HA . 4 ASP HA 1 1
29 1 2 1 1 7 VAL H . 6 VAL HN 1 1
30 1 1 1 1 5 ASP QB . 4 ASP QB 1 1
30 1 2 1 1 6 THR H . 5 THR HN 1 1
31 1 1 1 1 5 ASP QB . 4 ASP QB 1 1
31 1 2 1 1 9 ARG QD . 8 ARG+ QD 1 1
32 1 1 1 1 5 ASP QB . 4 ASP QB 1 1
32 1 2 1 1 9 ARG QG . 8 ARG+ QG 1 1
33 1 1 1 1 6 THR H . 5 THR HN 1 1
33 1 2 1 1 6 THR MG . 5 THR QG2 1 1
34 1 1 1 1 6 THR H . 5 THR HN 1 1
34 1 2 1 1 7 VAL H . 6 VAL HN 1 1
35 1 1 1 1 6 THR H . 5 THR HN 1 1
35 1 2 1 1 7 VAL QG . 6 VAL QQG 1 1
36 1 1 1 1 6 THR HA . 5 THR HA 1 1
36 1 2 1 1 7 VAL H . 6 VAL HN 1 1
37 1 1 1 1 6 THR HA . 5 THR HA 1 1
37 1 2 1 1 8 GLN H . 7 GLN HN 1 1
38 1 1 1 1 6 THR MG . 5 THR QG2 1 1
38 1 2 1 1 7 VAL H . 6 VAL HN 1 1
39 1 1 1 1 7 VAL H . 6 VAL HN 1 1
39 1 2 1 1 7 VAL HB . 6 VAL HB 1 1
40 1 1 1 1 7 VAL H . 6 VAL HN 1 1
40 1 2 1 1 7 VAL QG . 6 VAL QQG 1 1
41 1 1 1 1 7 VAL H . 6 VAL HN 1 1
41 1 2 1 1 8 GLN H . 7 GLN HN 1 1
42 1 1 1 1 7 VAL HA . 6 VAL HA 1 1
42 1 2 1 1 7 VAL HB . 6 VAL HB 1 1
43 1 1 1 1 7 VAL HA . 6 VAL HA 1 1
43 1 2 1 1 8 GLN H . 7 GLN HN 1 1
44 1 1 1 1 7 VAL HA . 6 VAL HA 1 1
44 1 2 1 1 9 ARG H . 8 ARG+ HN 1 1
45 1 1 1 1 7 VAL HB . 6 VAL HB 1 1
45 1 2 1 1 8 GLN H . 7 GLN HN 1 1
46 1 1 1 1 7 VAL QG . 6 VAL QQG 1 1
46 1 2 1 1 8 GLN H . 7 GLN HN 1 1
47 1 1 1 1 7 VAL MG1 . 6 VAL QG1 1 1
47 1 2 1 1 8 GLN H . 7 GLN HN 1 1
48 1 1 1 1 7 VAL MG1 . 6 VAL QG1 1 1
48 1 2 1 1 8 GLN QG . 7 GLN QG 1 1
49 1 1 1 1 7 VAL MG2 . 6 VAL QG2 1 1
49 1 2 1 1 8 GLN H . 7 GLN HN 1 1
50 1 1 1 1 7 VAL MG2 . 6 VAL QG2 1 1
50 1 2 1 1 8 GLN QG . 7 GLN QG 1 1
51 1 1 1 1 8 GLN H . 7 GLN HN 1 1
51 1 2 1 1 8 GLN HB2 . 7 GLN HB2 1 1
52 1 1 1 1 8 GLN H . 7 GLN HN 1 1
52 1 2 1 1 8 GLN QB . 7 GLN QB 1 1
53 1 1 1 1 8 GLN H . 7 GLN HN 1 1
53 1 2 1 1 8 GLN HB3 . 7 GLN HB3 1 1
54 1 1 1 1 8 GLN H . 7 GLN HN 1 1
54 1 2 1 1 9 ARG H . 8 ARG+ HN 1 1
55 1 1 1 1 8 GLN HA . 7 GLN HA 1 1
55 1 2 1 1 8 GLN HB2 . 7 GLN HB2 1 1
56 1 1 1 1 8 GLN HA . 7 GLN HA 1 1
56 1 2 1 1 8 GLN QB . 7 GLN QB 1 1
57 1 1 1 1 8 GLN HA . 7 GLN HA 1 1
57 1 2 1 1 8 GLN HB3 . 7 GLN HB3 1 1
58 1 1 1 1 8 GLN HB2 . 7 GLN HB2 1 1
58 1 2 1 1 9 ARG H . 8 ARG+ HN 1 1
59 1 1 1 1 8 GLN HB3 . 7 GLN HB3 1 1
59 1 2 1 1 9 ARG H . 8 ARG+ HN 1 1
60 1 1 1 1 9 ARG H . 8 ARG+ HN 1 1
60 1 2 1 1 9 ARG QG . 8 ARG+ QG 1 1
61 1 1 1 1 9 ARG H . 8 ARG+ HN 1 1
61 1 2 1 1 10 PRO QB . 9 PRO QB 1 1
62 1 1 1 1 9 ARG H . 8 ARG+ HN 1 1
62 1 2 1 1 10 PRO QD . 9 PRO QD 1 1
63 1 1 1 1 9 ARG H . 8 ARG+ HN 1 1
63 1 2 1 1 10 PRO QG . 9 PRO QG 1 1
64 1 1 1 1 9 ARG HA . 8 ARG+ HA 1 1
64 1 2 1 1 10 PRO HD2 . 9 PRO HD2 1 1
65 1 1 1 1 9 ARG HA . 8 ARG+ HA 1 1
65 1 2 1 1 10 PRO HD3 . 9 PRO HD3 1 1
66 1 1 1 1 9 ARG QB . 8 ARG+ QB 1 1
66 1 2 1 1 10 PRO QD . 9 PRO QD 1 1
67 1 1 1 1 9 ARG QG . 8 ARG+ QG 1 1
67 1 2 1 1 10 PRO QD . 9 PRO QD 1 1
68 1 1 1 1 10 PRO HA . 9 PRO HA 1 1
68 1 2 1 1 11 LYS H . 10 LYS+ HN 1 1
69 1 1 1 1 10 PRO QB . 9 PRO QB 1 1
69 1 2 1 1 11 LYS H . 10 LYS+ HN 1 1
70 1 1 1 1 10 PRO QB . 9 PRO QB 1 1
70 1 2 1 1 13 TYR QD . 12 TYR QD 1 1
71 1 1 1 1 10 PRO QB . 9 PRO QB 1 1
71 1 2 1 1 13 TYR QE . 12 TYR QE 1 1
72 1 1 1 1 10 PRO QD . 9 PRO QD 1 1
72 1 2 1 1 13 TYR HB2 . 12 TYR HB2 1 1
73 1 1 1 1 10 PRO QD . 9 PRO QD 1 1
73 1 2 1 1 13 TYR HB3 . 12 TYR HB3 1 1
74 1 1 1 1 10 PRO HD2 . 9 PRO HD2 1 1
74 1 2 1 1 11 LYS H . 10 LYS+ HN 1 1
75 1 1 1 1 10 PRO HD2 . 9 PRO HD2 1 1
75 1 2 1 1 13 TYR HB2 . 12 TYR HB2 1 1
76 1 1 1 1 10 PRO HD2 . 9 PRO HD2 1 1
76 1 2 1 1 13 TYR QD . 12 TYR QD 1 1
77 1 1 1 1 10 PRO HD3 . 9 PRO HD3 1 1
77 1 2 1 1 11 LYS H . 10 LYS+ HN 1 1
78 1 1 1 1 10 PRO HD3 . 9 PRO HD3 1 1
78 1 2 1 1 13 TYR HB2 . 12 TYR HB2 1 1
79 1 1 1 1 10 PRO HD3 . 9 PRO HD3 1 1
79 1 2 1 1 13 TYR QD . 12 TYR QD 1 1
80 1 1 1 1 10 PRO QG . 9 PRO QG 1 1
80 1 2 1 1 11 LYS H . 10 LYS+ HN 1 1
81 1 1 1 1 10 PRO QG . 9 PRO QG 1 1
81 1 2 1 1 13 TYR HB2 . 12 TYR HB2 1 1
82 1 1 1 1 11 LYS H . 10 LYS+ HN 1 1
82 1 2 1 1 11 LYS QB . 10 LYS+ QB 1 1
83 1 1 1 1 11 LYS H . 10 LYS+ HN 1 1
83 1 2 1 1 11 LYS HG2 . 10 LYS+ HG2 1 1
84 1 1 1 1 11 LYS H . 10 LYS+ HN 1 1
84 1 2 1 1 11 LYS QG . 10 LYS+ QG 1 1
85 1 1 1 1 11 LYS H . 10 LYS+ HN 1 1
85 1 2 1 1 11 LYS HG3 . 10 LYS+ HG3 1 1
86 1 1 1 1 11 LYS H . 10 LYS+ HN 1 1
86 1 2 1 1 12 GLY H . 11 GLY HN 1 1
87 1 1 1 1 11 LYS HA . 10 LYS+ HA 1 1
87 1 2 1 1 11 LYS HG2 . 10 LYS+ HG2 1 1
88 1 1 1 1 11 LYS HA . 10 LYS+ HA 1 1
88 1 2 1 1 11 LYS QG . 10 LYS+ QG 1 1
89 1 1 1 1 11 LYS HA . 10 LYS+ HA 1 1
89 1 2 1 1 11 LYS HG3 . 10 LYS+ HG3 1 1
90 1 1 1 1 11 LYS HA . 10 LYS+ HA 1 1
90 1 2 1 1 12 GLY H . 11 GLY HN 1 1
91 1 1 1 1 11 LYS HA . 10 LYS+ HA 1 1
91 1 2 1 1 13 TYR H . 12 TYR HN 1 1
92 1 1 1 1 11 LYS QB . 10 LYS+ QB 1 1
92 1 2 1 1 12 GLY H . 11 GLY HN 1 1
93 1 1 1 1 11 LYS QD . 10 LYS+ QD 1 1
93 1 2 1 1 12 GLY H . 11 GLY HN 1 1
94 1 1 1 1 11 LYS HG2 . 10 LYS+ HG2 1 1
94 1 2 1 1 12 GLY H . 11 GLY HN 1 1
95 1 1 1 1 11 LYS HG3 . 10 LYS+ HG3 1 1
95 1 2 1 1 12 GLY H . 11 GLY HN 1 1
96 1 1 1 1 12 GLY H . 11 GLY HN 1 1
96 1 2 1 1 12 GLY HA2 . 11 GLY HA1 1 1
97 1 1 1 1 12 GLY H . 11 GLY HN 1 1
97 1 2 1 1 12 GLY QA . 11 GLY QA 1 1
98 1 1 1 1 12 GLY H . 11 GLY HN 1 1
98 1 2 1 1 12 GLY HA3 . 11 GLY HA2 1 1
99 1 1 1 1 12 GLY H . 11 GLY HN 1 1
99 1 2 1 1 13 TYR H . 12 TYR HN 1 1
100 1 1 1 1 12 GLY H . 11 GLY HN 1 1
100 1 2 1 1 13 TYR QD . 12 TYR QD 1 1
101 1 1 1 1 12 GLY HA2 . 11 GLY HA1 1 1
101 1 2 1 1 13 TYR H . 12 TYR HN 1 1
102 1 1 1 1 12 GLY HA2 . 11 GLY HA1 1 1
102 1 2 1 1 13 TYR QD . 12 TYR QD 1 1
103 1 1 1 1 12 GLY HA3 . 11 GLY HA2 1 1
103 1 2 1 1 13 TYR H . 12 TYR HN 1 1
104 1 1 1 1 12 GLY HA3 . 11 GLY HA2 1 1
104 1 2 1 1 13 TYR QD . 12 TYR QD 1 1
105 1 1 1 1 13 TYR H . 12 TYR HN 1 1
105 1 2 1 1 13 TYR HB2 . 12 TYR HB2 1 1
106 1 1 1 1 13 TYR H . 12 TYR HN 1 1
106 1 2 1 1 13 TYR HB3 . 12 TYR HB3 1 1
107 1 1 1 1 13 TYR HA . 12 TYR HA 1 1
107 1 2 1 1 13 TYR HB3 . 12 TYR HB3 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 . . . . . . . 5.34 1 1
2 1 . . . . . . . 3.61 1 1
3 1 . . . . . . . 3.15 1 1
4 1 . . . . . . . 3.61 1 1
5 1 . . . . . . . 3.86 1 1
6 1 . . . . . . . 3.3 1 1
7 1 . . . . . . . 3.86 1 1
8 1 . . . . . . . 3.41 1 1
9 1 . . . . . . . 6.28 1 1
10 1 . . . . . . . 3.77 1 1
11 1 . . . . . . . 4.75 1 1
12 1 . . . . . . . 5.5 1 1
13 1 . . . . . . . 5.5 1 1
14 1 . . . . . . . 5.23 1 1
15 1 . . . . . . . 4.58 1 1
16 1 . . . . . . . 5.23 1 1
17 1 . . . . . . . 3.11 1 1
18 1 . . . . . . . 4.36 1 1
19 1 . . . . . . . 3.87 1 1
20 1 . . . . . . . 4.36 1 1
21 1 . . . . . . . 2.74 1 1
22 1 . . . . . . . 5.04 1 1
23 1 . . . . . . . 3.86 1 1
24 1 . . . . . . . 4.2 1 1
25 1 . . . . . . . 3.83 1 1
26 1 . . . . . . . 4.51 1 1
27 1 . . . . . . . 3.24 1 1
28 1 . . . . . . . 3.33 1 1
29 1 . . . . . . . 4.45 1 1
30 1 . . . . . . . 5.04 1 1
31 1 . . . . . . . 7.25 1 1
32 1 . . . . . . . 7.25 1 1
33 1 . . . . . . . 4.76 1 1
34 1 . . . . . . . 3.11 1 1
35 1 . . . . . . . 5.92 1 1
36 1 . . . . . . . 3.05 1 1
37 1 . . . . . . . 4.32 1 1
38 1 . . . . . . . 6.53 1 1
39 1 . . . . . . . 3.21 1 1
40 1 . . . . . . . 4.12 1 1
41 1 . . . . . . . 3.64 1 1
42 1 . . . . . . . 3.02 1 1
43 1 . . . . . . . 3.49 1 1
44 1 . . . . . . . 4.57 1 1
45 1 . . . . . . . 3.33 1 1
46 1 . . . . . . . 4.17 1 1
47 1 . . . . . . . 5.04 1 1
48 1 . . . . . . . 7.4 1 1
49 1 . . . . . . . 5.04 1 1
50 1 . . . . . . . 7.4 1 1
51 1 . . . . . . . 3.27 1 1
52 1 . . . . . . . 2.77 1 1
53 1 . . . . . . . 3.27 1 1
54 1 . . . . . . . 3.79 1 1
55 1 . . . . . . . 3.05 1 1
56 1 . . . . . . . 2.62 1 1
57 1 . . . . . . . 3.05 1 1
58 1 . . . . . . . 3.52 1 1
59 1 . . . . . . . 3.52 1 1
60 1 . . . . . . . 4.92 1 1
61 1 . . . . . . . 5.35 1 1
62 1 . . . . . . . 4.38 1 1
63 1 . . . . . . . 5.88 1 1
64 1 . . . . . . . 3.02 1 1
65 1 . . . . . . . 3.02 1 1
66 1 . . . . . . . 4.78 1 1
67 1 . . . . . . . 5.36 1 1
68 1 . . . . . . . 2.59 1 1
69 1 . . . . . . . 4.7 1 1
70 1 . . . . . . . 8.52 1 1
71 1 . . . . . . . 8.51 1 1
72 1 . . . . . . . 4.84 1 1
73 1 . . . . . . . 5.34 1 1
74 1 . . . . . . . 5.5 1 1
75 1 . . . . . . . 5.5 1 1
76 1 . . . . . . . 7.64 1 1
77 1 . . . . . . . 5.5 1 1
78 1 . . . . . . . 5.5 1 1
79 1 . . . . . . . 7.64 1 1
80 1 . . . . . . . 5.6 1 1
81 1 . . . . . . . 6.38 1 1
82 1 . . . . . . . 3.9 1 1
83 1 . . . . . . . 4.91 1 1
84 1 . . . . . . . 4.22 1 1
85 1 . . . . . . . 4.91 1 1
86 1 . . . . . . . 3.58 1 1
87 1 . . . . . . . 4.07 1 1
88 1 . . . . . . . 3.57 1 1
89 1 . . . . . . . 4.07 1 1
90 1 . . . . . . . 2.62 1 1
91 1 . . . . . . . 3.76 1 1
92 1 . . . . . . . 4.55 1 1
93 1 . . . . . . . 6.38 1 1
94 1 . . . . . . . 5.5 1 1
95 1 . . . . . . . 5.5 1 1
96 1 . . . . . . . 2.93 1 1
97 1 . . . . . . . 2.55 1 1
98 1 . . . . . . . 2.93 1 1
99 1 . . . . . . . 3.14 1 1
100 1 . . . . . . . 7.64 1 1
101 1 . . . . . . . 3.33 1 1
102 1 . . . . . . . 7.64 1 1
103 1 . . . . . . . 3.33 1 1
104 1 . . . . . . . 7.64 1 1
105 1 . . . . . . . 2.9 1 1
106 1 . . . . . . . 3.21 1 1
107 1 . . . . . . . 2.99 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ACE C C -10.088 -3.874 -0.027 1.00 . A A . 0 ACE C 1 1
1 2 1 1 1 ACE CH3 C -10.999 -4.934 -0.613 1.00 . A A . 0 ACE CH3 1 1
1 3 1 1 1 ACE H1 H -10.779 -5.922 -0.175 1.00 . A A . 0 ACE H1 1 1
1 4 1 1 1 ACE H2 H -12.055 -4.697 -0.391 1.00 . A A . 0 ACE H2 1 1
1 5 1 1 1 ACE H3 H -10.910 -5.014 -1.713 1.00 . A A . 0 ACE H3 1 1
1 6 1 1 1 ACE O O -10.452 -3.192 0.932 1.00 . A A . 0 ACE O 1 1
1 7 1 1 2 ARG C C -7.297 -2.097 -1.549 1.00 . A A . 1 ARG C 1 1
1 8 1 1 2 ARG CA C -7.910 -2.708 -0.247 1.00 . A A . 1 ARG CA 1 1
1 9 1 1 2 ARG CB C -6.870 -3.255 0.785 1.00 . A A . 1 ARG CB 1 1
1 10 1 1 2 ARG CD C -6.831 -3.964 3.288 1.00 . A A . 1 ARG CD 1 1
1 11 1 1 2 ARG CG C -7.243 -2.904 2.248 1.00 . A A . 1 ARG CG 1 1
1 12 1 1 2 ARG CZ C -8.747 -3.914 4.922 1.00 . A A . 1 ARG CZ 1 1
1 13 1 1 2 ARG H H -8.753 -4.403 -1.396 1.00 . A A . 1 ARG H 1 1
1 14 1 1 2 ARG HA H -8.426 -1.873 0.258 1.00 . A A . 1 ARG HA 1 1
1 15 1 1 2 ARG HB2 H -6.740 -4.348 0.647 1.00 . A A . 1 ARG HB2 1 1
1 16 1 1 2 ARG HB3 H -5.859 -2.849 0.579 1.00 . A A . 1 ARG HB3 1 1
1 17 1 1 2 ARG HD2 H -7.071 -4.989 2.937 1.00 . A A . 1 ARG HD2 1 1
1 18 1 1 2 ARG HD3 H -5.726 -3.960 3.390 1.00 . A A . 1 ARG HD3 1 1
1 19 1 1 2 ARG HE H -6.906 -3.330 5.393 1.00 . A A . 1 ARG HE 1 1
1 20 1 1 2 ARG HG2 H -6.814 -1.918 2.518 1.00 . A A . 1 ARG HG2 1 1
1 21 1 1 2 ARG HG3 H -8.335 -2.739 2.316 1.00 . A A . 1 ARG HG3 1 1
1 22 1 1 2 ARG HH11 H -10.137 -3.806 6.335 1.00 . A A . 1 ARG HH11 1 1
1 23 1 1 2 ARG HH12 H -8.449 -3.291 6.785 1.00 . A A . 1 ARG HH12 1 1
1 24 1 1 2 ARG HH21 H -10.608 -4.447 4.357 1.00 . A A . 1 ARG HH21 1 1
1 25 1 1 2 ARG HH22 H -9.268 -4.484 3.118 1.00 . A A . 1 ARG HH22 1 1
1 26 1 1 2 ARG N N -8.895 -3.764 -0.608 1.00 . A A . 1 ARG N 1 1
1 27 1 1 2 ARG NE N -7.461 -3.700 4.616 1.00 . A A . 1 ARG NE 1 1
1 28 1 1 2 ARG NH1 N -9.148 -3.647 6.131 1.00 . A A . 1 ARG NH1 1 1
1 29 1 1 2 ARG NH2 N -9.634 -4.362 4.065 1.00 . A A . 1 ARG NH2 1 1
1 30 1 1 2 ARG O O -6.267 -2.604 -2.008 1.00 . A A . 1 ARG O 1 1
1 31 1 1 3 PRO C C -5.858 0.520 -2.825 1.00 . A A . 2 PRO C 1 1
1 32 1 1 3 PRO CA C -7.146 -0.266 -3.260 1.00 . A A . 2 PRO CA 1 1
1 33 1 1 3 PRO CB C -8.279 0.640 -3.783 1.00 . A A . 2 PRO CB 1 1
1 34 1 1 3 PRO CD C -9.090 -0.324 -1.721 1.00 . A A . 2 PRO CD 1 1
1 35 1 1 3 PRO CG C -9.118 0.966 -2.546 1.00 . A A . 2 PRO CG 1 1
1 36 1 1 3 PRO HA H -6.847 -0.970 -4.062 1.00 . A A . 2 PRO HA 1 1
1 37 1 1 3 PRO HB2 H -7.911 1.544 -4.303 1.00 . A A . 2 PRO HB2 1 1
1 38 1 1 3 PRO HB3 H -8.896 0.087 -4.516 1.00 . A A . 2 PRO HB3 1 1
1 39 1 1 3 PRO HD2 H -9.091 -0.074 -0.642 1.00 . A A . 2 PRO HD2 1 1
1 40 1 1 3 PRO HD3 H -9.976 -0.955 -1.924 1.00 . A A . 2 PRO HD3 1 1
1 41 1 1 3 PRO HG2 H -8.642 1.793 -1.983 1.00 . A A . 2 PRO HG2 1 1
1 42 1 1 3 PRO HG3 H -10.143 1.300 -2.786 1.00 . A A . 2 PRO HG3 1 1
1 43 1 1 3 PRO N N -7.850 -1.004 -2.167 1.00 . A A . 2 PRO N 1 1
1 44 1 1 3 PRO O O -4.889 0.603 -3.582 1.00 . A A . 2 PRO O 1 1
1 45 1 1 4 LEU C C -3.601 0.604 -0.356 1.00 . A A . 3 LEU C 1 1
1 46 1 1 4 LEU CA C -4.635 1.638 -0.940 1.00 . A A . 3 LEU CA 1 1
1 47 1 1 4 LEU CB C -5.153 2.633 0.142 1.00 . A A . 3 LEU CB 1 1
1 48 1 1 4 LEU CD1 C -7.557 3.520 0.212 1.00 . A A . 3 LEU CD1 1 1
1 49 1 1 4 LEU CD2 C -5.640 5.161 0.042 1.00 . A A . 3 LEU CD2 1 1
1 50 1 1 4 LEU CG C -6.133 3.753 -0.331 1.00 . A A . 3 LEU CG 1 1
1 51 1 1 4 LEU H H -6.680 0.798 -1.051 1.00 . A A . 3 LEU H 1 1
1 52 1 1 4 LEU HA H -4.081 2.233 -1.694 1.00 . A A . 3 LEU HA 1 1
1 53 1 1 4 LEU HB2 H -5.601 2.052 0.974 1.00 . A A . 3 LEU HB2 1 1
1 54 1 1 4 LEU HB3 H -4.268 3.091 0.623 1.00 . A A . 3 LEU HB3 1 1
1 55 1 1 4 LEU HD11 H -8.302 4.111 -0.351 1.00 . A A . 3 LEU HD11 1 1
1 56 1 1 4 LEU HD12 H -7.867 2.462 0.130 1.00 . A A . 3 LEU HD12 1 1
1 57 1 1 4 LEU HD13 H -7.651 3.798 1.278 1.00 . A A . 3 LEU HD13 1 1
1 58 1 1 4 LEU HD21 H -5.241 5.204 1.073 1.00 . A A . 3 LEU HD21 1 1
1 59 1 1 4 LEU HD22 H -4.831 5.488 -0.637 1.00 . A A . 3 LEU HD22 1 1
1 60 1 1 4 LEU HD23 H -6.440 5.920 -0.027 1.00 . A A . 3 LEU HD23 1 1
1 61 1 1 4 LEU HG H -6.205 3.727 -1.437 1.00 . A A . 3 LEU HG 1 1
1 62 1 1 4 LEU N N -5.834 1.029 -1.579 1.00 . A A . 3 LEU N 1 1
1 63 1 1 4 LEU O O -2.945 0.848 0.662 1.00 . A A . 3 LEU O 1 1
1 64 1 1 5 ASP C C -0.799 -0.740 -1.289 1.00 . A A . 4 ASP C 1 1
1 65 1 1 5 ASP CA C -2.187 -1.386 -0.899 1.00 . A A . 4 ASP CA 1 1
1 66 1 1 5 ASP CB C -2.557 -2.667 -1.702 1.00 . A A . 4 ASP CB 1 1
1 67 1 1 5 ASP CG C -1.699 -3.882 -1.400 1.00 . A A . 4 ASP CG 1 1
1 68 1 1 5 ASP H H -3.925 -0.545 -1.946 1.00 . A A . 4 ASP H 1 1
1 69 1 1 5 ASP HA H -2.124 -1.655 0.173 1.00 . A A . 4 ASP HA 1 1
1 70 1 1 5 ASP HB2 H -3.595 -2.986 -1.480 1.00 . A A . 4 ASP HB2 1 1
1 71 1 1 5 ASP HB3 H -2.540 -2.475 -2.791 1.00 . A A . 4 ASP HB3 1 1
1 72 1 1 5 ASP N N -3.371 -0.505 -1.081 1.00 . A A . 4 ASP N 1 1
1 73 1 1 5 ASP O O 0.250 -1.212 -0.845 1.00 . A A . 4 ASP O 1 1
1 74 1 1 5 ASP OD1 O -1.954 -4.534 -0.360 1.00 . A A . 4 ASP OD1 1 1
1 75 1 1 5 ASP OD2 O -0.738 -4.157 -2.145 1.00 . A A . 4 ASP OD2 1 1
1 76 1 1 6 THR C C 0.618 2.527 -2.024 1.00 . A A . 5 THR C 1 1
1 77 1 1 6 THR CA C 0.402 1.066 -2.593 1.00 . A A . 5 THR CA 1 1
1 78 1 1 6 THR CB C 0.489 0.952 -4.170 1.00 . A A . 5 THR CB 1 1
1 79 1 1 6 THR CG2 C -0.395 -0.090 -4.896 1.00 . A A . 5 THR CG2 1 1
1 80 1 1 6 THR H H -1.757 0.613 -2.370 1.00 . A A . 5 THR H 1 1
1 81 1 1 6 THR HA H 1.283 0.537 -2.204 1.00 . A A . 5 THR HA 1 1
1 82 1 1 6 THR HB H 1.538 0.688 -4.412 1.00 . A A . 5 THR HB 1 1
1 83 1 1 6 THR HG1 H 0.837 2.834 -4.456 1.00 . A A . 5 THR HG1 1 1
1 84 1 1 6 THR HG21 H -0.298 -1.098 -4.447 1.00 . A A . 5 THR HG21 1 1
1 85 1 1 6 THR HG22 H -1.465 0.185 -4.824 1.00 . A A . 5 THR HG22 1 1
1 86 1 1 6 THR HG23 H -0.156 -0.173 -5.969 1.00 . A A . 5 THR HG23 1 1
1 87 1 1 6 THR N N -0.810 0.356 -2.074 1.00 . A A . 5 THR N 1 1
1 88 1 1 6 THR O O 1.460 3.273 -2.531 1.00 . A A . 5 THR O 1 1
1 89 1 1 6 THR OG1 O 0.211 2.193 -4.814 1.00 . A A . 5 THR OG1 1 1
1 90 1 1 7 VAL C C 0.689 4.053 1.108 1.00 . A A . 6 VAL C 1 1
1 91 1 1 7 VAL CA C -0.044 4.229 -0.265 1.00 . A A . 6 VAL CA 1 1
1 92 1 1 7 VAL CB C -1.503 4.841 -0.206 1.00 . A A . 6 VAL CB 1 1
1 93 1 1 7 VAL CG1 C -1.872 5.665 1.054 1.00 . A A . 6 VAL CG1 1 1
1 94 1 1 7 VAL CG2 C -1.844 5.670 -1.472 1.00 . A A . 6 VAL CG2 1 1
1 95 1 1 7 VAL H H -0.784 2.175 -0.695 1.00 . A A . 6 VAL H 1 1
1 96 1 1 7 VAL HA H 0.604 4.929 -0.830 1.00 . A A . 6 VAL HA 1 1
1 97 1 1 7 VAL HB H -2.228 4.003 -0.178 1.00 . A A . 6 VAL HB 1 1
1 98 1 1 7 VAL HG11 H -2.894 6.082 0.998 1.00 . A A . 6 VAL HG11 1 1
1 99 1 1 7 VAL HG12 H -1.856 5.040 1.967 1.00 . A A . 6 VAL HG12 1 1
1 100 1 1 7 VAL HG13 H -1.176 6.507 1.224 1.00 . A A . 6 VAL HG13 1 1
1 101 1 1 7 VAL HG21 H -2.214 6.690 -1.249 1.00 . A A . 6 VAL HG21 1 1
1 102 1 1 7 VAL HG22 H -0.983 5.806 -2.153 1.00 . A A . 6 VAL HG22 1 1
1 103 1 1 7 VAL HG23 H -2.632 5.178 -2.071 1.00 . A A . 6 VAL HG23 1 1
1 104 1 1 7 VAL N N -0.131 2.914 -0.977 1.00 . A A . 6 VAL N 1 1
1 105 1 1 7 VAL O O 1.690 4.725 1.367 1.00 . A A . 6 VAL O 1 1
1 106 1 1 8 GLN C C 2.159 1.945 3.143 1.00 . A A . 7 GLN C 1 1
1 107 1 1 8 GLN CA C 0.858 2.799 3.262 1.00 . A A . 7 GLN CA 1 1
1 108 1 1 8 GLN CB C -0.213 2.112 4.163 1.00 . A A . 7 GLN CB 1 1
1 109 1 1 8 GLN CD C -1.935 2.499 6.088 1.00 . A A . 7 GLN CD 1 1
1 110 1 1 8 GLN CG C -0.856 3.091 5.174 1.00 . A A . 7 GLN CG 1 1
1 111 1 1 8 GLN H H -0.598 2.619 1.606 1.00 . A A . 7 GLN H 1 1
1 112 1 1 8 GLN HA H 1.194 3.737 3.751 1.00 . A A . 7 GLN HA 1 1
1 113 1 1 8 GLN HB2 H -1.007 1.618 3.562 1.00 . A A . 7 GLN HB2 1 1
1 114 1 1 8 GLN HB3 H 0.229 1.271 4.733 1.00 . A A . 7 GLN HB3 1 1
1 115 1 1 8 GLN HE21 H -1.863 4.151 7.202 1.00 . A A . 7 GLN HE21 1 1
1 116 1 1 8 GLN HE22 H -3.029 2.808 7.693 1.00 . A A . 7 GLN HE22 1 1
1 117 1 1 8 GLN HG2 H -0.049 3.512 5.806 1.00 . A A . 7 GLN HG2 1 1
1 118 1 1 8 GLN HG3 H -1.293 3.949 4.631 1.00 . A A . 7 GLN HG3 1 1
1 119 1 1 8 GLN N N 0.187 3.161 1.982 1.00 . A A . 7 GLN N 1 1
1 120 1 1 8 GLN NE2 N -2.324 3.243 7.094 1.00 . A A . 7 GLN NE2 1 1
1 121 1 1 8 GLN O O 3.055 2.074 3.979 1.00 . A A . 7 GLN O 1 1
1 122 1 1 8 GLN OE1 O -2.446 1.396 5.923 1.00 . A A . 7 GLN OE1 1 1
1 123 1 1 9 ARG C C 3.388 -0.372 0.477 1.00 . A A . 8 ARG C 1 1
1 124 1 1 9 ARG CA C 3.381 0.123 1.962 1.00 . A A . 8 ARG CA 1 1
1 125 1 1 9 ARG CB C 3.357 -1.013 3.031 1.00 . A A . 8 ARG CB 1 1
1 126 1 1 9 ARG CD C 2.267 -3.354 2.835 1.00 . A A . 8 ARG CD 1 1
1 127 1 1 9 ARG CG C 2.059 -1.857 3.127 1.00 . A A . 8 ARG CG 1 1
1 128 1 1 9 ARG CZ C -0.062 -4.210 2.487 1.00 . A A . 8 ARG CZ 1 1
1 129 1 1 9 ARG H H 1.462 1.109 1.479 1.00 . A A . 8 ARG H 1 1
1 130 1 1 9 ARG HA H 4.327 0.670 2.134 1.00 . A A . 8 ARG HA 1 1
1 131 1 1 9 ARG HB2 H 4.243 -1.658 2.874 1.00 . A A . 8 ARG HB2 1 1
1 132 1 1 9 ARG HB3 H 3.540 -0.555 4.022 1.00 . A A . 8 ARG HB3 1 1
1 133 1 1 9 ARG HD2 H 2.547 -3.514 1.771 1.00 . A A . 8 ARG HD2 1 1
1 134 1 1 9 ARG HD3 H 3.137 -3.733 3.408 1.00 . A A . 8 ARG HD3 1 1
1 135 1 1 9 ARG HE H 1.048 -4.715 4.052 1.00 . A A . 8 ARG HE 1 1
1 136 1 1 9 ARG HG2 H 1.598 -1.710 4.122 1.00 . A A . 8 ARG HG2 1 1
1 137 1 1 9 ARG HG3 H 1.298 -1.461 2.424 1.00 . A A . 8 ARG HG3 1 1
1 138 1 1 9 ARG HH11 H -1.868 -4.968 2.321 1.00 . A A . 8 ARG HH11 1 1
1 139 1 1 9 ARG HH12 H -0.888 -5.461 3.792 1.00 . A A . 8 ARG HH12 1 1
1 140 1 1 9 ARG HH21 H -1.014 -3.896 0.736 1.00 . A A . 8 ARG HH21 1 1
1 141 1 1 9 ARG HH22 H 0.548 -2.990 1.056 1.00 . A A . 8 ARG HH22 1 1
1 142 1 1 9 ARG N N 2.240 1.052 2.146 1.00 . A A . 8 ARG N 1 1
1 143 1 1 9 ARG NE N 1.056 -4.135 3.209 1.00 . A A . 8 ARG NE 1 1
1 144 1 1 9 ARG NH1 N -1.030 -4.964 2.910 1.00 . A A . 8 ARG NH1 1 1
1 145 1 1 9 ARG NH2 N -0.241 -3.560 1.371 1.00 . A A . 8 ARG NH2 1 1
1 146 1 1 9 ARG O O 2.904 -1.481 0.222 1.00 . A A . 8 ARG O 1 1
1 147 1 1 10 PRO C C 5.050 -1.309 -2.091 1.00 . A A . 9 PRO C 1 1
1 148 1 1 10 PRO CA C 4.025 -0.150 -1.928 1.00 . A A . 9 PRO CA 1 1
1 149 1 1 10 PRO CB C 4.378 1.147 -2.696 1.00 . A A . 9 PRO CB 1 1
1 150 1 1 10 PRO CD C 4.496 1.726 -0.370 1.00 . A A . 9 PRO CD 1 1
1 151 1 1 10 PRO CG C 5.197 1.973 -1.705 1.00 . A A . 9 PRO CG 1 1
1 152 1 1 10 PRO HA H 3.053 -0.549 -2.269 1.00 . A A . 9 PRO HA 1 1
1 153 1 1 10 PRO HB2 H 4.920 0.977 -3.646 1.00 . A A . 9 PRO HB2 1 1
1 154 1 1 10 PRO HB3 H 3.457 1.697 -2.969 1.00 . A A . 9 PRO HB3 1 1
1 155 1 1 10 PRO HD2 H 5.218 1.794 0.466 1.00 . A A . 9 PRO HD2 1 1
1 156 1 1 10 PRO HD3 H 3.695 2.473 -0.194 1.00 . A A . 9 PRO HD3 1 1
1 157 1 1 10 PRO HG2 H 6.238 1.596 -1.664 1.00 . A A . 9 PRO HG2 1 1
1 158 1 1 10 PRO HG3 H 5.250 3.045 -1.972 1.00 . A A . 9 PRO HG3 1 1
1 159 1 1 10 PRO N N 3.918 0.374 -0.541 1.00 . A A . 9 PRO N 1 1
1 160 1 1 10 PRO O O 5.738 -1.737 -1.155 1.00 . A A . 9 PRO O 1 1
1 161 1 1 11 LYS C C 7.723 -2.090 -3.861 1.00 . A A . 10 LYS C 1 1
1 162 1 1 11 LYS CA C 6.290 -2.740 -3.695 1.00 . A A . 10 LYS CA 1 1
1 163 1 1 11 LYS CB C 5.777 -3.486 -4.954 1.00 . A A . 10 LYS CB 1 1
1 164 1 1 11 LYS CD C 3.647 -4.467 -6.046 1.00 . A A . 10 LYS CD 1 1
1 165 1 1 11 LYS CE C 3.282 -5.910 -6.452 1.00 . A A . 10 LYS CE 1 1
1 166 1 1 11 LYS CG C 4.502 -4.361 -4.761 1.00 . A A . 10 LYS CG 1 1
1 167 1 1 11 LYS H H 4.640 -1.297 -4.042 1.00 . A A . 10 LYS H 1 1
1 168 1 1 11 LYS HA H 6.395 -3.495 -2.889 1.00 . A A . 10 LYS HA 1 1
1 169 1 1 11 LYS HB2 H 5.633 -2.734 -5.756 1.00 . A A . 10 LYS HB2 1 1
1 170 1 1 11 LYS HB3 H 6.582 -4.138 -5.342 1.00 . A A . 10 LYS HB3 1 1
1 171 1 1 11 LYS HD2 H 2.714 -3.884 -5.898 1.00 . A A . 10 LYS HD2 1 1
1 172 1 1 11 LYS HD3 H 4.145 -3.920 -6.873 1.00 . A A . 10 LYS HD3 1 1
1 173 1 1 11 LYS HE2 H 3.977 -6.648 -5.990 1.00 . A A . 10 LYS HE2 1 1
1 174 1 1 11 LYS HE3 H 2.281 -6.176 -6.039 1.00 . A A . 10 LYS HE3 1 1
1 175 1 1 11 LYS HG2 H 4.806 -5.349 -4.361 1.00 . A A . 10 LYS HG2 1 1
1 176 1 1 11 LYS HG3 H 3.858 -3.955 -3.953 1.00 . A A . 10 LYS HG3 1 1
1 177 1 1 11 LYS HZ1 H 2.665 -5.392 -8.400 1.00 . A A . 10 LYS HZ1 1 1
1 178 1 1 11 LYS HZ2 H 4.246 -5.807 -8.310 1.00 . A A . 10 LYS HZ2 1 1
1 179 1 1 11 LYS HZ3 H 3.096 -6.980 -8.278 1.00 . A A . 10 LYS HZ3 1 1
1 180 1 1 11 LYS N N 5.210 -1.771 -3.335 1.00 . A A . 10 LYS N 1 1
1 181 1 1 11 LYS NZ N 3.316 -6.037 -7.934 1.00 . A A . 10 LYS NZ 1 1
1 182 1 1 11 LYS O O 8.518 -2.496 -4.710 1.00 . A A . 10 LYS O 1 1
1 183 1 1 12 GLY C C 9.900 -0.501 -1.292 1.00 . A A . 11 GLY C 1 1
1 184 1 1 12 GLY CA C 9.428 -0.598 -2.771 1.00 . A A . 11 GLY CA 1 1
1 185 1 1 12 GLY H H 7.283 -0.939 -2.328 1.00 . A A . 11 GLY H 1 1
1 186 1 1 12 GLY HA2 H 10.184 -1.174 -3.337 1.00 . A A . 11 GLY HA2 1 1
1 187 1 1 12 GLY HA3 H 9.471 0.423 -3.195 1.00 . A A . 11 GLY HA3 1 1
1 188 1 1 12 GLY N N 8.052 -1.122 -2.989 1.00 . A A . 11 GLY N 1 1
1 189 1 1 12 GLY O O 10.836 0.248 -1.013 1.00 . A A . 11 GLY O 1 1
1 190 1 1 13 TYR C C 9.848 -2.725 1.547 1.00 . A A . 12 TYR C 1 1
1 191 1 1 13 TYR CA C 9.613 -1.251 1.090 1.00 . A A . 12 TYR CA 1 1
1 192 1 1 13 TYR CB C 8.507 -0.477 1.890 1.00 . A A . 12 TYR CB 1 1
1 193 1 1 13 TYR CD1 C 9.168 1.962 1.523 1.00 . A A . 12 TYR CD1 1 1
1 194 1 1 13 TYR CD2 C 9.029 1.134 3.788 1.00 . A A . 12 TYR CD2 1 1
1 195 1 1 13 TYR CE1 C 9.551 3.215 2.003 1.00 . A A . 12 TYR CE1 1 1
1 196 1 1 13 TYR CE2 C 9.402 2.389 4.266 1.00 . A A . 12 TYR CE2 1 1
1 197 1 1 13 TYR CG C 8.916 0.912 2.409 1.00 . A A . 12 TYR CG 1 1
1 198 1 1 13 TYR CZ C 9.665 3.423 3.378 1.00 . A A . 12 TYR CZ 1 1
1 199 1 1 13 TYR H H 8.497 -1.793 -0.744 1.00 . A A . 12 TYR H 1 1
1 200 1 1 13 TYR HA H 10.590 -0.751 1.254 1.00 . A A . 12 TYR HA 1 1
1 201 1 1 13 TYR HB2 H 7.574 -0.373 1.301 1.00 . A A . 12 TYR HB2 1 1
1 202 1 1 13 TYR HB3 H 8.174 -1.089 2.750 1.00 . A A . 12 TYR HB3 1 1
1 203 1 1 13 TYR HD1 H 9.090 1.808 0.455 1.00 . A A . 12 TYR HD1 1 1
1 204 1 1 13 TYR HD2 H 8.831 0.341 4.493 1.00 . A A . 12 TYR HD2 1 1
1 205 1 1 13 TYR HE1 H 9.763 4.011 1.309 1.00 . A A . 12 TYR HE1 1 1
1 206 1 1 13 TYR HE2 H 9.489 2.559 5.331 1.00 . A A . 12 TYR HE2 1 1
1 207 1 1 13 TYR HH H 10.221 5.232 3.118 1.00 . A A . 12 TYR HH 1 1
1 208 1 1 13 TYR N N 9.272 -1.241 -0.360 1.00 . A A . 12 TYR N 1 1
1 209 1 1 13 TYR O O 10.980 -3.162 1.734 1.00 . A A . 12 TYR O 1 1
1 210 1 1 13 TYR OH O 10.045 4.648 3.857 1.00 . A A . 12 TYR OH 1 1
1 211 1 1 14 NH2 HN1 H 9.124 -4.494 2.053 1.00 . A A . 13 NH2 HN1 1 1
1 212 1 1 14 NH2 HN2 H 7.894 -3.192 1.610 1.00 . A A . 13 NH2 HN2 1 1
1 213 1 1 14 NH2 N N 8.840 -3.560 1.742 1.00 . A A . 13 NH2 N 1 1
2 214 1 1 1 ACE C C -8.971 -4.719 0.031 1.00 . A A . 0 ACE C 1 1
2 215 1 1 1 ACE CH3 C -8.622 -6.185 0.160 1.00 . A A . 0 ACE CH3 1 1
2 216 1 1 1 ACE H1 H -7.585 -6.422 -0.142 1.00 . A A . 0 ACE H1 1 1
2 217 1 1 1 ACE H2 H -8.767 -6.515 1.202 1.00 . A A . 0 ACE H2 1 1
2 218 1 1 1 ACE H3 H -9.296 -6.784 -0.476 1.00 . A A . 0 ACE H3 1 1
2 219 1 1 1 ACE O O -10.145 -4.364 -0.004 1.00 . A A . 0 ACE O 1 1
2 220 1 1 2 ARG C C -7.464 -1.833 -1.438 1.00 . A A . 1 ARG C 1 1
2 221 1 1 2 ARG CA C -8.119 -2.397 -0.125 1.00 . A A . 1 ARG CA 1 1
2 222 1 1 2 ARG CB C -7.536 -1.717 1.149 1.00 . A A . 1 ARG CB 1 1
2 223 1 1 2 ARG CD C -7.705 -1.460 3.723 1.00 . A A . 1 ARG CD 1 1
2 224 1 1 2 ARG CG C -8.412 -1.890 2.419 1.00 . A A . 1 ARG CG 1 1
2 225 1 1 2 ARG CZ C -6.691 -2.700 5.656 1.00 . A A . 1 ARG CZ 1 1
2 226 1 1 2 ARG H H -7.029 -4.324 -0.081 1.00 . A A . 1 ARG H 1 1
2 227 1 1 2 ARG HA H -9.198 -2.150 -0.175 1.00 . A A . 1 ARG HA 1 1
2 228 1 1 2 ARG HB2 H -6.503 -2.090 1.319 1.00 . A A . 1 ARG HB2 1 1
2 229 1 1 2 ARG HB3 H -7.404 -0.633 0.964 1.00 . A A . 1 ARG HB3 1 1
2 230 1 1 2 ARG HD2 H -6.754 -0.934 3.490 1.00 . A A . 1 ARG HD2 1 1
2 231 1 1 2 ARG HD3 H -8.334 -0.708 4.249 1.00 . A A . 1 ARG HD3 1 1
2 232 1 1 2 ARG HE H -7.998 -3.521 4.413 1.00 . A A . 1 ARG HE 1 1
2 233 1 1 2 ARG HG2 H -9.344 -1.302 2.291 1.00 . A A . 1 ARG HG2 1 1
2 234 1 1 2 ARG HG3 H -8.786 -2.934 2.468 1.00 . A A . 1 ARG HG3 1 1
2 235 1 1 2 ARG HH11 H -6.055 -3.814 7.169 1.00 . A A . 1 ARG HH11 1 1
2 236 1 1 2 ARG HH12 H -7.262 -4.554 6.020 1.00 . A A . 1 ARG HH12 1 1
2 237 1 1 2 ARG HH21 H -5.368 -1.808 6.876 1.00 . A A . 1 ARG HH21 1 1
2 238 1 1 2 ARG HH22 H -6.042 -0.872 5.454 1.00 . A A . 1 ARG HH22 1 1
2 239 1 1 2 ARG N N -7.946 -3.874 0.015 1.00 . A A . 1 ARG N 1 1
2 240 1 1 2 ARG NE N -7.488 -2.650 4.597 1.00 . A A . 1 ARG NE 1 1
2 241 1 1 2 ARG NH1 N -6.650 -3.798 6.339 1.00 . A A . 1 ARG NH1 1 1
2 242 1 1 2 ARG NH2 N -5.948 -1.702 6.045 1.00 . A A . 1 ARG NH2 1 1
2 243 1 1 2 ARG O O -6.401 -2.327 -1.829 1.00 . A A . 1 ARG O 1 1
2 244 1 1 3 PRO C C -5.943 0.656 -2.885 1.00 . A A . 2 PRO C 1 1
2 245 1 1 3 PRO CA C -7.270 -0.105 -3.251 1.00 . A A . 2 PRO CA 1 1
2 246 1 1 3 PRO CB C -8.380 0.812 -3.799 1.00 . A A . 2 PRO CB 1 1
2 247 1 1 3 PRO CD C -9.201 -0.025 -1.688 1.00 . A A . 2 PRO CD 1 1
2 248 1 1 3 PRO CG C -9.186 1.229 -2.566 1.00 . A A . 2 PRO CG 1 1
2 249 1 1 3 PRO HA H -7.006 -0.856 -4.023 1.00 . A A . 2 PRO HA 1 1
2 250 1 1 3 PRO HB2 H -7.988 1.677 -4.370 1.00 . A A . 2 PRO HB2 1 1
2 251 1 1 3 PRO HB3 H -9.027 0.247 -4.499 1.00 . A A . 2 PRO HB3 1 1
2 252 1 1 3 PRO HD2 H -9.179 0.248 -0.614 1.00 . A A . 2 PRO HD2 1 1
2 253 1 1 3 PRO HD3 H -10.114 -0.627 -1.866 1.00 . A A . 2 PRO HD3 1 1
2 254 1 1 3 PRO HG2 H -8.666 2.061 -2.057 1.00 . A A . 2 PRO HG2 1 1
2 255 1 1 3 PRO HG3 H -10.199 1.597 -2.810 1.00 . A A . 2 PRO HG3 1 1
2 256 1 1 3 PRO N N -7.996 -0.768 -2.118 1.00 . A A . 2 PRO N 1 1
2 257 1 1 3 PRO O O -5.010 0.730 -3.685 1.00 . A A . 2 PRO O 1 1
2 258 1 1 4 LEU C C -3.586 0.711 -0.506 1.00 . A A . 3 LEU C 1 1
2 259 1 1 4 LEU CA C -4.620 1.763 -1.064 1.00 . A A . 3 LEU CA 1 1
2 260 1 1 4 LEU CB C -5.075 2.787 0.026 1.00 . A A . 3 LEU CB 1 1
2 261 1 1 4 LEU CD1 C -7.516 3.549 0.092 1.00 . A A . 3 LEU CD1 1 1
2 262 1 1 4 LEU CD2 C -5.709 5.278 0.122 1.00 . A A . 3 LEU CD2 1 1
2 263 1 1 4 LEU CG C -6.095 3.888 -0.397 1.00 . A A . 3 LEU CG 1 1
2 264 1 1 4 LEU H H -6.691 0.971 -1.099 1.00 . A A . 3 LEU H 1 1
2 265 1 1 4 LEU HA H -4.080 2.333 -1.848 1.00 . A A . 3 LEU HA 1 1
2 266 1 1 4 LEU HB2 H -5.451 2.235 0.909 1.00 . A A . 3 LEU HB2 1 1
2 267 1 1 4 LEU HB3 H -4.162 3.269 0.417 1.00 . A A . 3 LEU HB3 1 1
2 268 1 1 4 LEU HD11 H -8.278 4.130 -0.460 1.00 . A A . 3 LEU HD11 1 1
2 269 1 1 4 LEU HD12 H -7.765 2.483 -0.052 1.00 . A A . 3 LEU HD12 1 1
2 270 1 1 4 LEU HD13 H -7.656 3.762 1.169 1.00 . A A . 3 LEU HD13 1 1
2 271 1 1 4 LEU HD21 H -4.747 5.609 -0.307 1.00 . A A . 3 LEU HD21 1 1
2 272 1 1 4 LEU HD22 H -6.456 6.045 -0.160 1.00 . A A . 3 LEU HD22 1 1
2 273 1 1 4 LEU HD23 H -5.609 5.304 1.223 1.00 . A A . 3 LEU HD23 1 1
2 274 1 1 4 LEU HG H -6.114 3.950 -1.506 1.00 . A A . 3 LEU HG 1 1
2 275 1 1 4 LEU N N -5.854 1.172 -1.649 1.00 . A A . 3 LEU N 1 1
2 276 1 1 4 LEU O O -2.912 0.953 0.504 1.00 . A A . 3 LEU O 1 1
2 277 1 1 5 ASP C C -0.808 -0.743 -1.464 1.00 . A A . 4 ASP C 1 1
2 278 1 1 5 ASP CA C -2.214 -1.322 -1.018 1.00 . A A . 4 ASP CA 1 1
2 279 1 1 5 ASP CB C -2.587 -2.672 -1.708 1.00 . A A . 4 ASP CB 1 1
2 280 1 1 5 ASP CG C -2.167 -3.907 -0.906 1.00 . A A . 4 ASP CG 1 1
2 281 1 1 5 ASP H H -3.955 -0.472 -2.072 1.00 . A A . 4 ASP H 1 1
2 282 1 1 5 ASP HA H -2.127 -1.504 0.070 1.00 . A A . 4 ASP HA 1 1
2 283 1 1 5 ASP HB2 H -3.674 -2.784 -1.885 1.00 . A A . 4 ASP HB2 1 1
2 284 1 1 5 ASP HB3 H -2.149 -2.724 -2.723 1.00 . A A . 4 ASP HB3 1 1
2 285 1 1 5 ASP N N -3.382 -0.412 -1.220 1.00 . A A . 4 ASP N 1 1
2 286 1 1 5 ASP O O 0.242 -1.291 -1.132 1.00 . A A . 4 ASP O 1 1
2 287 1 1 5 ASP OD1 O -1.404 -4.740 -1.434 1.00 . A A . 4 ASP OD1 1 1
2 288 1 1 5 ASP OD2 O -2.593 -4.053 0.266 1.00 . A A . 4 ASP OD2 1 1
2 289 1 1 6 THR C C 0.656 2.560 -2.047 1.00 . A A . 5 THR C 1 1
2 290 1 1 6 THR CA C 0.425 1.116 -2.659 1.00 . A A . 5 THR CA 1 1
2 291 1 1 6 THR CB C 0.514 1.063 -4.236 1.00 . A A . 5 THR CB 1 1
2 292 1 1 6 THR CG2 C -0.250 -0.055 -4.982 1.00 . A A . 5 THR CG2 1 1
2 293 1 1 6 THR H H -1.742 0.683 -2.457 1.00 . A A . 5 THR H 1 1
2 294 1 1 6 THR HA H 1.297 0.567 -2.284 1.00 . A A . 5 THR HA 1 1
2 295 1 1 6 THR HB H 1.584 0.940 -4.492 1.00 . A A . 5 THR HB 1 1
2 296 1 1 6 THR HG1 H 0.718 2.951 -4.615 1.00 . A A . 5 THR HG1 1 1
2 297 1 1 6 THR HG21 H -1.343 0.064 -4.851 1.00 . A A . 5 THR HG21 1 1
2 298 1 1 6 THR HG22 H -0.063 -0.042 -6.070 1.00 . A A . 5 THR HG22 1 1
2 299 1 1 6 THR HG23 H 0.003 -1.061 -4.598 1.00 . A A . 5 THR HG23 1 1
2 300 1 1 6 THR N N -0.799 0.404 -2.171 1.00 . A A . 5 THR N 1 1
2 301 1 1 6 THR O O 1.557 3.285 -2.473 1.00 . A A . 5 THR O 1 1
2 302 1 1 6 THR OG1 O 0.067 2.275 -4.834 1.00 . A A . 5 THR OG1 1 1
2 303 1 1 7 VAL C C 0.649 4.030 1.097 1.00 . A A . 6 VAL C 1 1
2 304 1 1 7 VAL CA C -0.044 4.250 -0.292 1.00 . A A . 6 VAL CA 1 1
2 305 1 1 7 VAL CB C -1.494 4.882 -0.241 1.00 . A A . 6 VAL CB 1 1
2 306 1 1 7 VAL CG1 C -1.864 5.711 1.015 1.00 . A A . 6 VAL CG1 1 1
2 307 1 1 7 VAL CG2 C -1.768 5.757 -1.483 1.00 . A A . 6 VAL CG2 1 1
2 308 1 1 7 VAL H H -0.823 2.225 -0.807 1.00 . A A . 6 VAL H 1 1
2 309 1 1 7 VAL HA H 0.626 4.955 -0.824 1.00 . A A . 6 VAL HA 1 1
2 310 1 1 7 VAL HB H -2.236 4.061 -0.260 1.00 . A A . 6 VAL HB 1 1
2 311 1 1 7 VAL HG11 H -1.158 6.545 1.192 1.00 . A A . 6 VAL HG11 1 1
2 312 1 1 7 VAL HG12 H -2.879 6.143 0.957 1.00 . A A . 6 VAL HG12 1 1
2 313 1 1 7 VAL HG13 H -1.861 5.086 1.928 1.00 . A A . 6 VAL HG13 1 1
2 314 1 1 7 VAL HG21 H -2.752 6.259 -1.445 1.00 . A A . 6 VAL HG21 1 1
2 315 1 1 7 VAL HG22 H -1.008 6.552 -1.604 1.00 . A A . 6 VAL HG22 1 1
2 316 1 1 7 VAL HG23 H -1.757 5.155 -2.411 1.00 . A A . 6 VAL HG23 1 1
2 317 1 1 7 VAL N N -0.145 2.958 -1.046 1.00 . A A . 6 VAL N 1 1
2 318 1 1 7 VAL O O 1.649 4.677 1.412 1.00 . A A . 6 VAL O 1 1
2 319 1 1 8 GLN C C 2.007 1.831 3.133 1.00 . A A . 7 GLN C 1 1
2 320 1 1 8 GLN CA C 0.723 2.724 3.221 1.00 . A A . 7 GLN CA 1 1
2 321 1 1 8 GLN CB C -0.417 2.066 4.065 1.00 . A A . 7 GLN CB 1 1
2 322 1 1 8 GLN CD C -0.046 3.137 6.388 1.00 . A A . 7 GLN CD 1 1
2 323 1 1 8 GLN CG C -0.978 2.989 5.177 1.00 . A A . 7 GLN CG 1 1
2 324 1 1 8 GLN H H -0.648 2.589 1.486 1.00 . A A . 7 GLN H 1 1
2 325 1 1 8 GLN HA H 1.077 3.639 3.738 1.00 . A A . 7 GLN HA 1 1
2 326 1 1 8 GLN HB2 H -1.257 1.714 3.430 1.00 . A A . 7 GLN HB2 1 1
2 327 1 1 8 GLN HB3 H -0.063 1.124 4.531 1.00 . A A . 7 GLN HB3 1 1
2 328 1 1 8 GLN HE21 H -0.260 5.120 6.388 1.00 . A A . 7 GLN HE21 1 1
2 329 1 1 8 GLN HE22 H 0.882 4.347 7.606 1.00 . A A . 7 GLN HE22 1 1
2 330 1 1 8 GLN HG2 H -1.236 3.974 4.743 1.00 . A A . 7 GLN HG2 1 1
2 331 1 1 8 GLN HG3 H -1.931 2.581 5.554 1.00 . A A . 7 GLN HG3 1 1
2 332 1 1 8 GLN N N 0.102 3.129 1.928 1.00 . A A . 7 GLN N 1 1
2 333 1 1 8 GLN NE2 N 0.161 4.329 6.880 1.00 . A A . 7 GLN NE2 1 1
2 334 1 1 8 GLN O O 2.858 1.877 4.022 1.00 . A A . 7 GLN O 1 1
2 335 1 1 8 GLN OE1 O 0.497 2.173 6.915 1.00 . A A . 7 GLN OE1 1 1
2 336 1 1 9 ARG C C 3.332 -0.397 0.410 1.00 . A A . 8 ARG C 1 1
2 337 1 1 9 ARG CA C 3.254 0.050 1.914 1.00 . A A . 8 ARG CA 1 1
2 338 1 1 9 ARG CB C 3.133 -1.137 2.913 1.00 . A A . 8 ARG CB 1 1
2 339 1 1 9 ARG CD C 2.038 -3.452 2.577 1.00 . A A . 8 ARG CD 1 1
2 340 1 1 9 ARG CG C 1.812 -1.952 2.823 1.00 . A A . 8 ARG CG 1 1
2 341 1 1 9 ARG CZ C 0.189 -4.464 3.922 1.00 . A A . 8 ARG CZ 1 1
2 342 1 1 9 ARG H H 1.385 1.103 1.392 1.00 . A A . 8 ARG H 1 1
2 343 1 1 9 ARG HA H 4.205 0.564 2.154 1.00 . A A . 8 ARG HA 1 1
2 344 1 1 9 ARG HB2 H 4.020 -1.785 2.777 1.00 . A A . 8 ARG HB2 1 1
2 345 1 1 9 ARG HB3 H 3.249 -0.743 3.942 1.00 . A A . 8 ARG HB3 1 1
2 346 1 1 9 ARG HD2 H 2.405 -3.591 1.535 1.00 . A A . 8 ARG HD2 1 1
2 347 1 1 9 ARG HD3 H 2.851 -3.863 3.212 1.00 . A A . 8 ARG HD3 1 1
2 348 1 1 9 ARG HE H 0.216 -4.494 1.928 1.00 . A A . 8 ARG HE 1 1
2 349 1 1 9 ARG HG2 H 1.205 -1.738 3.721 1.00 . A A . 8 ARG HG2 1 1
2 350 1 1 9 ARG HG3 H 1.171 -1.577 1.994 1.00 . A A . 8 ARG HG3 1 1
2 351 1 1 9 ARG HH11 H -1.334 -5.342 4.820 1.00 . A A . 8 ARG HH11 1 1
2 352 1 1 9 ARG HH12 H -1.273 -5.370 2.986 1.00 . A A . 8 ARG HH12 1 1
2 353 1 1 9 ARG HH21 H 0.182 -4.245 5.934 1.00 . A A . 8 ARG HH21 1 1
2 354 1 1 9 ARG HH22 H 1.531 -3.506 4.936 1.00 . A A . 8 ARG HH22 1 1
2 355 1 1 9 ARG N N 2.122 0.991 2.096 1.00 . A A . 8 ARG N 1 1
2 356 1 1 9 ARG NE N 0.760 -4.198 2.755 1.00 . A A . 8 ARG NE 1 1
2 357 1 1 9 ARG NH1 N -0.920 -5.121 3.917 1.00 . A A . 8 ARG NH1 1 1
2 358 1 1 9 ARG NH2 N 0.688 -4.074 5.066 1.00 . A A . 8 ARG NH2 1 1
2 359 1 1 9 ARG O O 2.887 -1.508 0.098 1.00 . A A . 8 ARG O 1 1
2 360 1 1 10 PRO C C 5.013 -1.309 -2.136 1.00 . A A . 9 PRO C 1 1
2 361 1 1 10 PRO CA C 4.025 -0.117 -1.964 1.00 . A A . 9 PRO CA 1 1
2 362 1 1 10 PRO CB C 4.432 1.192 -2.677 1.00 . A A . 9 PRO CB 1 1
2 363 1 1 10 PRO CD C 4.473 1.712 -0.329 1.00 . A A . 9 PRO CD 1 1
2 364 1 1 10 PRO CG C 5.228 1.973 -1.631 1.00 . A A . 9 PRO CG 1 1
2 365 1 1 10 PRO HA H 3.054 -0.485 -2.342 1.00 . A A . 9 PRO HA 1 1
2 366 1 1 10 PRO HB2 H 5.001 1.036 -3.613 1.00 . A A . 9 PRO HB2 1 1
2 367 1 1 10 PRO HB3 H 3.529 1.765 -2.964 1.00 . A A . 9 PRO HB3 1 1
2 368 1 1 10 PRO HD2 H 5.160 1.748 0.537 1.00 . A A . 9 PRO HD2 1 1
2 369 1 1 10 PRO HD3 H 3.676 2.467 -0.164 1.00 . A A . 9 PRO HD3 1 1
2 370 1 1 10 PRO HG2 H 6.260 1.574 -1.558 1.00 . A A . 9 PRO HG2 1 1
2 371 1 1 10 PRO HG3 H 5.312 3.051 -1.865 1.00 . A A . 9 PRO HG3 1 1
2 372 1 1 10 PRO N N 3.888 0.375 -0.565 1.00 . A A . 9 PRO N 1 1
2 373 1 1 10 PRO O O 5.672 -1.772 -1.195 1.00 . A A . 9 PRO O 1 1
2 374 1 1 11 LYS C C 7.741 -2.079 -3.808 1.00 . A A . 10 LYS C 1 1
2 375 1 1 11 LYS CA C 6.287 -2.702 -3.729 1.00 . A A . 10 LYS CA 1 1
2 376 1 1 11 LYS CB C 5.844 -3.478 -5.006 1.00 . A A . 10 LYS CB 1 1
2 377 1 1 11 LYS CD C 6.028 -5.770 -6.116 1.00 . A A . 10 LYS CD 1 1
2 378 1 1 11 LYS CE C 5.496 -7.220 -6.093 1.00 . A A . 10 LYS CE 1 1
2 379 1 1 11 LYS CG C 5.764 -5.010 -4.803 1.00 . A A . 10 LYS CG 1 1
2 380 1 1 11 LYS H H 4.658 -1.227 -4.084 1.00 . A A . 10 LYS H 1 1
2 381 1 1 11 LYS HA H 6.369 -3.432 -2.897 1.00 . A A . 10 LYS HA 1 1
2 382 1 1 11 LYS HB2 H 4.862 -3.139 -5.397 1.00 . A A . 10 LYS HB2 1 1
2 383 1 1 11 LYS HB3 H 6.531 -3.222 -5.836 1.00 . A A . 10 LYS HB3 1 1
2 384 1 1 11 LYS HD2 H 5.621 -5.175 -6.960 1.00 . A A . 10 LYS HD2 1 1
2 385 1 1 11 LYS HD3 H 7.124 -5.771 -6.300 1.00 . A A . 10 LYS HD3 1 1
2 386 1 1 11 LYS HE2 H 6.329 -7.927 -5.861 1.00 . A A . 10 LYS HE2 1 1
2 387 1 1 11 LYS HE3 H 4.775 -7.376 -5.257 1.00 . A A . 10 LYS HE3 1 1
2 388 1 1 11 LYS HG2 H 6.489 -5.354 -4.035 1.00 . A A . 10 LYS HG2 1 1
2 389 1 1 11 LYS HG3 H 4.765 -5.243 -4.377 1.00 . A A . 10 LYS HG3 1 1
2 390 1 1 11 LYS HZ1 H 4.107 -6.843 -7.625 1.00 . A A . 10 LYS HZ1 1 1
2 391 1 1 11 LYS HZ2 H 5.511 -7.454 -8.196 1.00 . A A . 10 LYS HZ2 1 1
2 392 1 1 11 LYS HZ3 H 4.415 -8.447 -7.464 1.00 . A A . 10 LYS HZ3 1 1
2 393 1 1 11 LYS N N 5.179 -1.763 -3.383 1.00 . A A . 10 LYS N 1 1
2 394 1 1 11 LYS NZ N 4.855 -7.518 -7.405 1.00 . A A . 10 LYS NZ 1 1
2 395 1 1 11 LYS O O 8.583 -2.528 -4.587 1.00 . A A . 10 LYS O 1 1
2 396 1 1 12 GLY C C 9.848 -0.561 -1.154 1.00 . A A . 11 GLY C 1 1
2 397 1 1 12 GLY CA C 9.421 -0.615 -2.649 1.00 . A A . 11 GLY CA 1 1
2 398 1 1 12 GLY H H 7.253 -0.917 -2.299 1.00 . A A . 11 GLY H 1 1
2 399 1 1 12 GLY HA2 H 10.188 -1.195 -3.195 1.00 . A A . 11 GLY HA2 1 1
2 400 1 1 12 GLY HA3 H 9.512 0.412 -3.047 1.00 . A A . 11 GLY HA3 1 1
2 401 1 1 12 GLY N N 8.039 -1.099 -2.940 1.00 . A A . 11 GLY N 1 1
2 402 1 1 12 GLY O O 10.795 0.151 -0.828 1.00 . A A . 11 GLY O 1 1
2 403 1 1 13 TYR C C 9.714 -2.884 1.605 1.00 . A A . 12 TYR C 1 1
2 404 1 1 13 TYR CA C 9.505 -1.389 1.191 1.00 . A A . 12 TYR CA 1 1
2 405 1 1 13 TYR CB C 8.401 -0.637 2.010 1.00 . A A . 12 TYR CB 1 1
2 406 1 1 13 TYR CD1 C 8.621 1.892 1.781 1.00 . A A . 12 TYR CD1 1 1
2 407 1 1 13 TYR CD2 C 9.413 0.842 3.807 1.00 . A A . 12 TYR CD2 1 1
2 408 1 1 13 TYR CE1 C 9.009 3.133 2.281 1.00 . A A . 12 TYR CE1 1 1
2 409 1 1 13 TYR CE2 C 9.806 2.083 4.302 1.00 . A A . 12 TYR CE2 1 1
2 410 1 1 13 TYR CG C 8.822 0.736 2.545 1.00 . A A . 12 TYR CG 1 1
2 411 1 1 13 TYR CZ C 9.606 3.230 3.531 1.00 . A A . 12 TYR CZ 1 1
2 412 1 1 13 TYR H H 8.407 -1.835 -0.684 1.00 . A A . 12 TYR H 1 1
2 413 1 1 13 TYR HA H 10.490 -0.913 1.388 1.00 . A A . 12 TYR HA 1 1
2 414 1 1 13 TYR HB2 H 7.459 -0.539 1.433 1.00 . A A . 12 TYR HB2 1 1
2 415 1 1 13 TYR HB3 H 8.087 -1.249 2.877 1.00 . A A . 12 TYR HB3 1 1
2 416 1 1 13 TYR HD1 H 8.185 1.829 0.796 1.00 . A A . 12 TYR HD1 1 1
2 417 1 1 13 TYR HD2 H 9.578 -0.042 4.411 1.00 . A A . 12 TYR HD2 1 1
2 418 1 1 13 TYR HE1 H 8.869 4.029 1.689 1.00 . A A . 12 TYR HE1 1 1
2 419 1 1 13 TYR HE2 H 10.261 2.155 5.277 1.00 . A A . 12 TYR HE2 1 1
2 420 1 1 13 TYR HH H 10.801 4.315 4.545 1.00 . A A . 12 TYR HH 1 1
2 421 1 1 13 TYR N N 9.173 -1.304 -0.261 1.00 . A A . 12 TYR N 1 1
2 422 1 1 13 TYR O O 10.826 -3.346 1.830 1.00 . A A . 12 TYR O 1 1
2 423 1 1 13 TYR OH O 10.035 4.446 3.983 1.00 . A A . 12 TYR OH 1 1
2 424 1 1 14 NH2 HN1 H 8.970 -4.645 2.063 1.00 . A A . 13 NH2 HN1 1 1
2 425 1 1 14 NH2 HN2 H 7.759 -3.321 1.615 1.00 . A A . 13 NH2 HN2 1 1
2 426 1 1 14 NH2 N N 8.694 -3.716 1.735 1.00 . A A . 13 NH2 N 1 1
3 427 1 1 1 ACE C C -10.129 -3.780 -0.282 1.00 . A A . 0 ACE C 1 1
3 428 1 1 1 ACE CH3 C -10.943 -4.946 -0.796 1.00 . A A . 0 ACE CH3 1 1
3 429 1 1 1 ACE H1 H -10.951 -4.967 -1.900 1.00 . A A . 0 ACE H1 1 1
3 430 1 1 1 ACE H2 H -10.556 -5.913 -0.425 1.00 . A A . 0 ACE H2 1 1
3 431 1 1 1 ACE H3 H -11.992 -4.858 -0.459 1.00 . A A . 0 ACE H3 1 1
3 432 1 1 1 ACE O O -10.678 -2.838 0.289 1.00 . A A . 0 ACE O 1 1
3 433 1 1 2 ARG C C -7.302 -2.108 -1.486 1.00 . A A . 1 ARG C 1 1
3 434 1 1 2 ARG CA C -7.888 -2.739 -0.173 1.00 . A A . 1 ARG CA 1 1
3 435 1 1 2 ARG CB C -6.801 -3.211 0.844 1.00 . A A . 1 ARG CB 1 1
3 436 1 1 2 ARG CD C -5.260 -2.414 2.761 1.00 . A A . 1 ARG CD 1 1
3 437 1 1 2 ARG CG C -6.585 -2.206 2.002 1.00 . A A . 1 ARG CG 1 1
3 438 1 1 2 ARG CZ C -5.810 -2.031 5.186 1.00 . A A . 1 ARG CZ 1 1
3 439 1 1 2 ARG H H -8.530 -4.662 -1.070 1.00 . A A . 1 ARG H 1 1
3 440 1 1 2 ARG HA H -8.456 -1.943 0.344 1.00 . A A . 1 ARG HA 1 1
3 441 1 1 2 ARG HB2 H -7.066 -4.192 1.286 1.00 . A A . 1 ARG HB2 1 1
3 442 1 1 2 ARG HB3 H -5.842 -3.411 0.324 1.00 . A A . 1 ARG HB3 1 1
3 443 1 1 2 ARG HD2 H -5.043 -3.488 2.930 1.00 . A A . 1 ARG HD2 1 1
3 444 1 1 2 ARG HD3 H -4.423 -2.075 2.112 1.00 . A A . 1 ARG HD3 1 1
3 445 1 1 2 ARG HE H -4.805 -0.716 4.084 1.00 . A A . 1 ARG HE 1 1
3 446 1 1 2 ARG HG2 H -6.612 -1.164 1.626 1.00 . A A . 1 ARG HG2 1 1
3 447 1 1 2 ARG HG3 H -7.454 -2.281 2.687 1.00 . A A . 1 ARG HG3 1 1
3 448 1 1 2 ARG HH11 H -6.169 -1.567 7.083 1.00 . A A . 1 ARG HH11 1 1
3 449 1 1 2 ARG HH12 H -5.225 -0.363 6.097 1.00 . A A . 1 ARG HH12 1 1
3 450 1 1 2 ARG HH21 H -6.880 -3.393 6.223 1.00 . A A . 1 ARG HH21 1 1
3 451 1 1 2 ARG HH22 H -6.511 -3.706 4.456 1.00 . A A . 1 ARG HH22 1 1
3 452 1 1 2 ARG N N -8.816 -3.850 -0.514 1.00 . A A . 1 ARG N 1 1
3 453 1 1 2 ARG NE N -5.250 -1.638 4.038 1.00 . A A . 1 ARG NE 1 1
3 454 1 1 2 ARG NH1 N -5.723 -1.248 6.221 1.00 . A A . 1 ARG NH1 1 1
3 455 1 1 2 ARG NH2 N -6.456 -3.165 5.322 1.00 . A A . 1 ARG NH2 1 1
3 456 1 1 2 ARG O O -6.278 -2.605 -1.969 1.00 . A A . 1 ARG O 1 1
3 457 1 1 3 PRO C C -5.912 0.535 -2.791 1.00 . A A . 2 PRO C 1 1
3 458 1 1 3 PRO CA C -7.184 -0.289 -3.207 1.00 . A A . 2 PRO CA 1 1
3 459 1 1 3 PRO CB C -8.343 0.562 -3.756 1.00 . A A . 2 PRO CB 1 1
3 460 1 1 3 PRO CD C -9.110 -0.358 -1.644 1.00 . A A . 2 PRO CD 1 1
3 461 1 1 3 PRO CG C -9.188 0.892 -2.525 1.00 . A A . 2 PRO CG 1 1
3 462 1 1 3 PRO HA H -6.866 -1.004 -3.992 1.00 . A A . 2 PRO HA 1 1
3 463 1 1 3 PRO HB2 H -8.003 1.467 -4.298 1.00 . A A . 2 PRO HB2 1 1
3 464 1 1 3 PRO HB3 H -8.944 -0.027 -4.475 1.00 . A A . 2 PRO HB3 1 1
3 465 1 1 3 PRO HD2 H -9.085 -0.073 -0.575 1.00 . A A . 2 PRO HD2 1 1
3 466 1 1 3 PRO HD3 H -9.985 -1.018 -1.799 1.00 . A A . 2 PRO HD3 1 1
3 467 1 1 3 PRO HG2 H -8.725 1.748 -2.011 1.00 . A A . 2 PRO HG2 1 1
3 468 1 1 3 PRO HG3 H -10.224 1.193 -2.764 1.00 . A A . 2 PRO HG3 1 1
3 469 1 1 3 PRO N N -7.866 -1.021 -2.096 1.00 . A A . 2 PRO N 1 1
3 470 1 1 3 PRO O O -4.964 0.648 -3.571 1.00 . A A . 2 PRO O 1 1
3 471 1 1 4 LEU C C -3.606 0.634 -0.376 1.00 . A A . 3 LEU C 1 1
3 472 1 1 4 LEU CA C -4.662 1.667 -0.935 1.00 . A A . 3 LEU CA 1 1
3 473 1 1 4 LEU CB C -5.133 2.671 0.164 1.00 . A A . 3 LEU CB 1 1
3 474 1 1 4 LEU CD1 C -7.623 3.359 0.340 1.00 . A A . 3 LEU CD1 1 1
3 475 1 1 4 LEU CD2 C -5.843 5.142 0.273 1.00 . A A . 3 LEU CD2 1 1
3 476 1 1 4 LEU CG C -6.220 3.732 -0.204 1.00 . A A . 3 LEU CG 1 1
3 477 1 1 4 LEU H H -6.701 0.803 -0.996 1.00 . A A . 3 LEU H 1 1
3 478 1 1 4 LEU HA H -4.132 2.258 -1.709 1.00 . A A . 3 LEU HA 1 1
3 479 1 1 4 LEU HB2 H -5.444 2.103 1.062 1.00 . A A . 3 LEU HB2 1 1
3 480 1 1 4 LEU HB3 H -4.227 3.195 0.522 1.00 . A A . 3 LEU HB3 1 1
3 481 1 1 4 LEU HD11 H -7.614 2.519 1.057 1.00 . A A . 3 LEU HD11 1 1
3 482 1 1 4 LEU HD12 H -8.135 4.194 0.852 1.00 . A A . 3 LEU HD12 1 1
3 483 1 1 4 LEU HD13 H -8.300 3.070 -0.476 1.00 . A A . 3 LEU HD13 1 1
3 484 1 1 4 LEU HD21 H -5.809 5.212 1.376 1.00 . A A . 3 LEU HD21 1 1
3 485 1 1 4 LEU HD22 H -4.857 5.454 -0.114 1.00 . A A . 3 LEU HD22 1 1
3 486 1 1 4 LEU HD23 H -6.573 5.894 -0.084 1.00 . A A . 3 LEU HD23 1 1
3 487 1 1 4 LEU HG H -6.287 3.796 -1.311 1.00 . A A . 3 LEU HG 1 1
3 488 1 1 4 LEU N N -5.870 1.044 -1.544 1.00 . A A . 3 LEU N 1 1
3 489 1 1 4 LEU O O -2.957 0.876 0.648 1.00 . A A . 3 LEU O 1 1
3 490 1 1 5 ASP C C -0.783 -0.792 -1.334 1.00 . A A . 4 ASP C 1 1
3 491 1 1 5 ASP CA C -2.180 -1.368 -0.872 1.00 . A A . 4 ASP CA 1 1
3 492 1 1 5 ASP CB C -2.537 -2.724 -1.548 1.00 . A A . 4 ASP CB 1 1
3 493 1 1 5 ASP CG C -1.959 -3.940 -0.825 1.00 . A A . 4 ASP CG 1 1
3 494 1 1 5 ASP H H -3.908 -0.530 -1.969 1.00 . A A . 4 ASP H 1 1
3 495 1 1 5 ASP HA H -2.100 -1.536 0.220 1.00 . A A . 4 ASP HA 1 1
3 496 1 1 5 ASP HB2 H -3.629 -2.902 -1.593 1.00 . A A . 4 ASP HB2 1 1
3 497 1 1 5 ASP HB3 H -2.215 -2.733 -2.607 1.00 . A A . 4 ASP HB3 1 1
3 498 1 1 5 ASP N N -3.356 -0.471 -1.103 1.00 . A A . 4 ASP N 1 1
3 499 1 1 5 ASP O O 0.266 -1.356 -1.026 1.00 . A A . 4 ASP O 1 1
3 500 1 1 5 ASP OD1 O -1.116 -4.651 -1.411 1.00 . A A . 4 ASP OD1 1 1
3 501 1 1 5 ASP OD2 O -2.352 -4.192 0.339 1.00 . A A . 4 ASP OD2 1 1
3 502 1 1 6 THR C C 0.641 2.511 -2.014 1.00 . A A . 5 THR C 1 1
3 503 1 1 6 THR CA C 0.425 1.050 -2.581 1.00 . A A . 5 THR CA 1 1
3 504 1 1 6 THR CB C 0.500 0.948 -4.160 1.00 . A A . 5 THR CB 1 1
3 505 1 1 6 THR CG2 C -0.469 -0.005 -4.898 1.00 . A A . 5 THR CG2 1 1
3 506 1 1 6 THR H H -1.736 0.653 -2.278 1.00 . A A . 5 THR H 1 1
3 507 1 1 6 THR HA H 1.307 0.522 -2.193 1.00 . A A . 5 THR HA 1 1
3 508 1 1 6 THR HB H 1.522 0.603 -4.409 1.00 . A A . 5 THR HB 1 1
3 509 1 1 6 THR HG1 H 0.868 2.843 -4.281 1.00 . A A . 5 THR HG1 1 1
3 510 1 1 6 THR HG21 H -0.306 -0.008 -5.990 1.00 . A A . 5 THR HG21 1 1
3 511 1 1 6 THR HG22 H -0.371 -1.047 -4.538 1.00 . A A . 5 THR HG22 1 1
3 512 1 1 6 THR HG23 H -1.522 0.293 -4.731 1.00 . A A . 5 THR HG23 1 1
3 513 1 1 6 THR N N -0.785 0.350 -2.047 1.00 . A A . 5 THR N 1 1
3 514 1 1 6 THR O O 1.487 3.251 -2.523 1.00 . A A . 5 THR O 1 1
3 515 1 1 6 THR OG1 O 0.326 2.219 -4.784 1.00 . A A . 5 THR OG1 1 1
3 516 1 1 7 VAL C C 0.694 4.064 1.084 1.00 . A A . 6 VAL C 1 1
3 517 1 1 7 VAL CA C -0.037 4.234 -0.287 1.00 . A A . 6 VAL CA 1 1
3 518 1 1 7 VAL CB C -1.496 4.840 -0.228 1.00 . A A . 6 VAL CB 1 1
3 519 1 1 7 VAL CG1 C -1.858 5.683 1.021 1.00 . A A . 6 VAL CG1 1 1
3 520 1 1 7 VAL CG2 C -1.795 5.687 -1.483 1.00 . A A . 6 VAL CG2 1 1
3 521 1 1 7 VAL H H -0.774 2.175 -0.698 1.00 . A A . 6 VAL H 1 1
3 522 1 1 7 VAL HA H 0.607 4.930 -0.862 1.00 . A A . 6 VAL HA 1 1
3 523 1 1 7 VAL HB H -2.231 4.011 -0.225 1.00 . A A . 6 VAL HB 1 1
3 524 1 1 7 VAL HG11 H -2.853 6.157 0.944 1.00 . A A . 6 VAL HG11 1 1
3 525 1 1 7 VAL HG12 H -1.898 5.053 1.930 1.00 . A A . 6 VAL HG12 1 1
3 526 1 1 7 VAL HG13 H -1.122 6.484 1.215 1.00 . A A . 6 VAL HG13 1 1
3 527 1 1 7 VAL HG21 H -1.676 5.096 -2.410 1.00 . A A . 6 VAL HG21 1 1
3 528 1 1 7 VAL HG22 H -2.830 6.078 -1.487 1.00 . A A . 6 VAL HG22 1 1
3 529 1 1 7 VAL HG23 H -1.118 6.559 -1.561 1.00 . A A . 6 VAL HG23 1 1
3 530 1 1 7 VAL N N -0.122 2.914 -0.985 1.00 . A A . 6 VAL N 1 1
3 531 1 1 7 VAL O O 1.703 4.726 1.338 1.00 . A A . 6 VAL O 1 1
3 532 1 1 8 GLN C C 2.146 1.947 3.115 1.00 . A A . 7 GLN C 1 1
3 533 1 1 8 GLN CA C 0.852 2.816 3.236 1.00 . A A . 7 GLN CA 1 1
3 534 1 1 8 GLN CB C -0.219 2.131 4.138 1.00 . A A . 7 GLN CB 1 1
3 535 1 1 8 GLN CD C -1.498 2.350 6.378 1.00 . A A . 7 GLN CD 1 1
3 536 1 1 8 GLN CG C -0.819 3.074 5.214 1.00 . A A . 7 GLN CG 1 1
3 537 1 1 8 GLN H H -0.603 2.640 1.581 1.00 . A A . 7 GLN H 1 1
3 538 1 1 8 GLN HA H 1.196 3.752 3.722 1.00 . A A . 7 GLN HA 1 1
3 539 1 1 8 GLN HB2 H -1.044 1.677 3.550 1.00 . A A . 7 GLN HB2 1 1
3 540 1 1 8 GLN HB3 H 0.228 1.252 4.644 1.00 . A A . 7 GLN HB3 1 1
3 541 1 1 8 GLN HE21 H 0.281 1.747 7.035 1.00 . A A . 7 GLN HE21 1 1
3 542 1 1 8 GLN HE22 H -1.212 1.269 8.008 1.00 . A A . 7 GLN HE22 1 1
3 543 1 1 8 GLN HG2 H -0.039 3.741 5.631 1.00 . A A . 7 GLN HG2 1 1
3 544 1 1 8 GLN HG3 H -1.548 3.760 4.743 1.00 . A A . 7 GLN HG3 1 1
3 545 1 1 8 GLN N N 0.181 3.182 1.960 1.00 . A A . 7 GLN N 1 1
3 546 1 1 8 GLN NE2 N -0.721 1.743 7.246 1.00 . A A . 7 GLN NE2 1 1
3 547 1 1 8 GLN O O 3.030 2.049 3.969 1.00 . A A . 7 GLN O 1 1
3 548 1 1 8 GLN OE1 O -2.715 2.315 6.516 1.00 . A A . 7 GLN OE1 1 1
3 549 1 1 9 ARG C C 3.390 -0.369 0.443 1.00 . A A . 8 ARG C 1 1
3 550 1 1 9 ARG CA C 3.353 0.115 1.934 1.00 . A A . 8 ARG CA 1 1
3 551 1 1 9 ARG CB C 3.269 -1.040 2.973 1.00 . A A . 8 ARG CB 1 1
3 552 1 1 9 ARG CD C 2.207 -3.383 2.704 1.00 . A A . 8 ARG CD 1 1
3 553 1 1 9 ARG CG C 1.964 -1.883 2.952 1.00 . A A . 8 ARG CG 1 1
3 554 1 1 9 ARG CZ C 0.528 -4.467 4.210 1.00 . A A . 8 ARG CZ 1 1
3 555 1 1 9 ARG H H 1.450 1.123 1.443 1.00 . A A . 8 ARG H 1 1
3 556 1 1 9 ARG HA H 4.307 0.638 2.138 1.00 . A A . 8 ARG HA 1 1
3 557 1 1 9 ARG HB2 H 4.163 -1.681 2.846 1.00 . A A . 8 ARG HB2 1 1
3 558 1 1 9 ARG HB3 H 3.398 -0.611 3.986 1.00 . A A . 8 ARG HB3 1 1
3 559 1 1 9 ARG HD2 H 2.504 -3.530 1.644 1.00 . A A . 8 ARG HD2 1 1
3 560 1 1 9 ARG HD3 H 3.073 -3.764 3.285 1.00 . A A . 8 ARG HD3 1 1
3 561 1 1 9 ARG HE H 0.372 -4.481 2.216 1.00 . A A . 8 ARG HE 1 1
3 562 1 1 9 ARG HG2 H 1.404 -1.694 3.886 1.00 . A A . 8 ARG HG2 1 1
3 563 1 1 9 ARG HG3 H 1.271 -1.522 2.162 1.00 . A A . 8 ARG HG3 1 1
3 564 1 1 9 ARG HH11 H -0.889 -5.373 5.256 1.00 . A A . 8 ARG HH11 1 1
3 565 1 1 9 ARG HH12 H -1.018 -5.421 3.433 1.00 . A A . 8 ARG HH12 1 1
3 566 1 1 9 ARG HH21 H 0.729 -4.318 6.219 1.00 . A A . 8 ARG HH21 1 1
3 567 1 1 9 ARG HH22 H 1.968 -3.524 5.126 1.00 . A A . 8 ARG HH22 1 1
3 568 1 1 9 ARG N N 2.227 1.063 2.110 1.00 . A A . 8 ARG N 1 1
3 569 1 1 9 ARG NE N 0.974 -4.166 2.988 1.00 . A A . 8 ARG NE 1 1
3 570 1 1 9 ARG NH1 N -0.570 -5.151 4.312 1.00 . A A . 8 ARG NH1 1 1
3 571 1 1 9 ARG NH2 N 1.136 -4.091 5.311 1.00 . A A . 8 ARG NH2 1 1
3 572 1 1 9 ARG O O 2.920 -1.477 0.166 1.00 . A A . 8 ARG O 1 1
3 573 1 1 10 PRO C C 5.054 -1.326 -2.116 1.00 . A A . 9 PRO C 1 1
3 574 1 1 10 PRO CA C 4.051 -0.146 -1.950 1.00 . A A . 9 PRO CA 1 1
3 575 1 1 10 PRO CB C 4.428 1.150 -2.705 1.00 . A A . 9 PRO CB 1 1
3 576 1 1 10 PRO CD C 4.520 1.721 -0.372 1.00 . A A . 9 PRO CD 1 1
3 577 1 1 10 PRO CG C 5.240 1.965 -1.697 1.00 . A A . 9 PRO CG 1 1
3 578 1 1 10 PRO HA H 3.076 -0.530 -2.302 1.00 . A A . 9 PRO HA 1 1
3 579 1 1 10 PRO HB2 H 4.979 0.976 -3.648 1.00 . A A . 9 PRO HB2 1 1
3 580 1 1 10 PRO HB3 H 3.514 1.707 -2.986 1.00 . A A . 9 PRO HB3 1 1
3 581 1 1 10 PRO HD2 H 5.231 1.776 0.475 1.00 . A A . 9 PRO HD2 1 1
3 582 1 1 10 PRO HD3 H 3.722 2.471 -0.201 1.00 . A A . 9 PRO HD3 1 1
3 583 1 1 10 PRO HG2 H 6.277 1.580 -1.643 1.00 . A A . 9 PRO HG2 1 1
3 584 1 1 10 PRO HG3 H 5.302 3.038 -1.957 1.00 . A A . 9 PRO HG3 1 1
3 585 1 1 10 PRO N N 3.938 0.374 -0.560 1.00 . A A . 9 PRO N 1 1
3 586 1 1 10 PRO O O 5.753 -1.738 -1.181 1.00 . A A . 9 PRO O 1 1
3 587 1 1 11 LYS C C 7.739 -2.061 -3.856 1.00 . A A . 10 LYS C 1 1
3 588 1 1 11 LYS CA C 6.314 -2.732 -3.719 1.00 . A A . 10 LYS CA 1 1
3 589 1 1 11 LYS CB C 5.852 -3.561 -4.959 1.00 . A A . 10 LYS CB 1 1
3 590 1 1 11 LYS CD C 5.773 -5.976 -5.798 1.00 . A A . 10 LYS CD 1 1
3 591 1 1 11 LYS CE C 5.316 -7.414 -5.509 1.00 . A A . 10 LYS CE 1 1
3 592 1 1 11 LYS CG C 5.446 -5.021 -4.634 1.00 . A A . 10 LYS CG 1 1
3 593 1 1 11 LYS H H 4.627 -1.332 -4.060 1.00 . A A . 10 LYS H 1 1
3 594 1 1 11 LYS HA H 6.457 -3.438 -2.876 1.00 . A A . 10 LYS HA 1 1
3 595 1 1 11 LYS HB2 H 5.019 -3.074 -5.508 1.00 . A A . 10 LYS HB2 1 1
3 596 1 1 11 LYS HB3 H 6.658 -3.559 -5.718 1.00 . A A . 10 LYS HB3 1 1
3 597 1 1 11 LYS HD2 H 5.312 -5.591 -6.730 1.00 . A A . 10 LYS HD2 1 1
3 598 1 1 11 LYS HD3 H 6.870 -5.946 -5.972 1.00 . A A . 10 LYS HD3 1 1
3 599 1 1 11 LYS HE2 H 5.762 -7.777 -4.557 1.00 . A A . 10 LYS HE2 1 1
3 600 1 1 11 LYS HE3 H 4.215 -7.437 -5.342 1.00 . A A . 10 LYS HE3 1 1
3 601 1 1 11 LYS HG2 H 5.968 -5.385 -3.726 1.00 . A A . 10 LYS HG2 1 1
3 602 1 1 11 LYS HG3 H 4.368 -5.053 -4.375 1.00 . A A . 10 LYS HG3 1 1
3 603 1 1 11 LYS HZ1 H 5.318 -7.954 -7.543 1.00 . A A . 10 LYS HZ1 1 1
3 604 1 1 11 LYS HZ2 H 6.726 -8.312 -6.789 1.00 . A A . 10 LYS HZ2 1 1
3 605 1 1 11 LYS HZ3 H 5.404 -9.261 -6.546 1.00 . A A . 10 LYS HZ3 1 1
3 606 1 1 11 LYS N N 5.191 -1.817 -3.355 1.00 . A A . 10 LYS N 1 1
3 607 1 1 11 LYS NZ N 5.707 -8.284 -6.650 1.00 . A A . 10 LYS NZ 1 1
3 608 1 1 11 LYS O O 8.564 -2.468 -4.679 1.00 . A A . 10 LYS O 1 1
3 609 1 1 12 GLY C C 9.891 -0.492 -1.254 1.00 . A A . 11 GLY C 1 1
3 610 1 1 12 GLY CA C 9.426 -0.581 -2.735 1.00 . A A . 11 GLY CA 1 1
3 611 1 1 12 GLY H H 7.276 -0.930 -2.314 1.00 . A A . 11 GLY H 1 1
3 612 1 1 12 GLY HA2 H 10.185 -1.161 -3.292 1.00 . A A . 11 GLY HA2 1 1
3 613 1 1 12 GLY HA3 H 9.484 0.439 -3.159 1.00 . A A . 11 GLY HA3 1 1
3 614 1 1 12 GLY N N 8.049 -1.096 -2.975 1.00 . A A . 11 GLY N 1 1
3 615 1 1 12 GLY O O 10.828 0.252 -0.969 1.00 . A A . 11 GLY O 1 1
3 616 1 1 13 TYR C C 9.852 -2.749 1.564 1.00 . A A . 12 TYR C 1 1
3 617 1 1 13 TYR CA C 9.615 -1.271 1.115 1.00 . A A . 12 TYR CA 1 1
3 618 1 1 13 TYR CB C 8.520 -0.507 1.935 1.00 . A A . 12 TYR CB 1 1
3 619 1 1 13 TYR CD1 C 9.579 0.999 3.677 1.00 . A A . 12 TYR CD1 1 1
3 620 1 1 13 TYR CD2 C 8.694 2.028 1.678 1.00 . A A . 12 TYR CD2 1 1
3 621 1 1 13 TYR CE1 C 9.945 2.250 4.162 1.00 . A A . 12 TYR CE1 1 1
3 622 1 1 13 TYR CE2 C 9.060 3.280 2.168 1.00 . A A . 12 TYR CE2 1 1
3 623 1 1 13 TYR CG C 8.947 0.877 2.436 1.00 . A A . 12 TYR CG 1 1
3 624 1 1 13 TYR CZ C 9.678 3.393 3.410 1.00 . A A . 12 TYR CZ 1 1
3 625 1 1 13 TYR H H 8.490 -1.795 -0.718 1.00 . A A . 12 TYR H 1 1
3 626 1 1 13 TYR HA H 10.596 -0.777 1.277 1.00 . A A . 12 TYR HA 1 1
3 627 1 1 13 TYR HB2 H 7.571 -0.425 1.368 1.00 . A A . 12 TYR HB2 1 1
3 628 1 1 13 TYR HB3 H 8.218 -1.102 2.817 1.00 . A A . 12 TYR HB3 1 1
3 629 1 1 13 TYR HD1 H 9.786 0.120 4.275 1.00 . A A . 12 TYR HD1 1 1
3 630 1 1 13 TYR HD2 H 8.219 1.949 0.712 1.00 . A A . 12 TYR HD2 1 1
3 631 1 1 13 TYR HE1 H 10.428 2.342 5.123 1.00 . A A . 12 TYR HE1 1 1
3 632 1 1 13 TYR HE2 H 8.861 4.164 1.576 1.00 . A A . 12 TYR HE2 1 1
3 633 1 1 13 TYR HH H 9.635 5.299 3.353 1.00 . A A . 12 TYR HH 1 1
3 634 1 1 13 TYR N N 9.262 -1.243 -0.331 1.00 . A A . 12 TYR N 1 1
3 635 1 1 13 TYR O O 10.983 -3.185 1.755 1.00 . A A . 12 TYR O 1 1
3 636 1 1 13 TYR OH O 10.014 4.620 3.912 1.00 . A A . 12 TYR OH 1 1
3 637 1 1 14 NH2 HN1 H 9.126 -4.513 2.078 1.00 . A A . 13 NH2 HN1 1 1
3 638 1 1 14 NH2 HN2 H 7.896 -3.209 1.636 1.00 . A A . 13 NH2 HN2 1 1
3 639 1 1 14 NH2 N N 8.842 -3.583 1.756 1.00 . A A . 13 NH2 N 1 1
4 640 1 1 1 ACE C C -8.176 -5.024 -0.857 1.00 . A A . 0 ACE C 1 1
4 641 1 1 1 ACE CH3 C -7.627 -6.433 -0.764 1.00 . A A . 0 ACE CH3 1 1
4 642 1 1 1 ACE H1 H -8.452 -7.163 -0.834 1.00 . A A . 0 ACE H1 1 1
4 643 1 1 1 ACE H2 H -6.936 -6.631 -1.603 1.00 . A A . 0 ACE H2 1 1
4 644 1 1 1 ACE H3 H -7.089 -6.626 0.182 1.00 . A A . 0 ACE H3 1 1
4 645 1 1 1 ACE O O -9.224 -4.803 -1.463 1.00 . A A . 0 ACE O 1 1
4 646 1 1 2 ARG C C -7.315 -1.893 -1.571 1.00 . A A . 1 ARG C 1 1
4 647 1 1 2 ARG CA C -7.846 -2.639 -0.293 1.00 . A A . 1 ARG CA 1 1
4 648 1 1 2 ARG CB C -7.363 -1.936 1.009 1.00 . A A . 1 ARG CB 1 1
4 649 1 1 2 ARG CD C -7.528 -3.355 3.189 1.00 . A A . 1 ARG CD 1 1
4 650 1 1 2 ARG CG C -8.165 -2.268 2.297 1.00 . A A . 1 ARG CG 1 1
4 651 1 1 2 ARG CZ C -7.891 -5.768 3.746 1.00 . A A . 1 ARG CZ 1 1
4 652 1 1 2 ARG H H -6.556 -4.397 0.105 1.00 . A A . 1 ARG H 1 1
4 653 1 1 2 ARG HA H -8.951 -2.572 -0.317 1.00 . A A . 1 ARG HA 1 1
4 654 1 1 2 ARG HB2 H -6.274 -2.085 1.151 1.00 . A A . 1 ARG HB2 1 1
4 655 1 1 2 ARG HB3 H -7.434 -0.839 0.869 1.00 . A A . 1 ARG HB3 1 1
4 656 1 1 2 ARG HD2 H -6.453 -3.475 2.939 1.00 . A A . 1 ARG HD2 1 1
4 657 1 1 2 ARG HD3 H -7.545 -3.001 4.242 1.00 . A A . 1 ARG HD3 1 1
4 658 1 1 2 ARG HE H -9.060 -4.764 2.486 1.00 . A A . 1 ARG HE 1 1
4 659 1 1 2 ARG HG2 H -8.239 -1.342 2.901 1.00 . A A . 1 ARG HG2 1 1
4 660 1 1 2 ARG HG3 H -9.226 -2.489 2.058 1.00 . A A . 1 ARG HG3 1 1
4 661 1 1 2 ARG HH11 H -8.337 -7.665 4.125 1.00 . A A . 1 ARG HH11 1 1
4 662 1 1 2 ARG HH12 H -9.444 -6.758 2.999 1.00 . A A . 1 ARG HH12 1 1
4 663 1 1 2 ARG HH21 H -6.637 -6.721 5.004 1.00 . A A . 1 ARG HH21 1 1
4 664 1 1 2 ARG HH22 H -6.318 -4.966 4.592 1.00 . A A . 1 ARG HH22 1 1
4 665 1 1 2 ARG N N -7.464 -4.079 -0.247 1.00 . A A . 1 ARG N 1 1
4 666 1 1 2 ARG NE N -8.238 -4.661 3.088 1.00 . A A . 1 ARG NE 1 1
4 667 1 1 2 ARG NH1 N -8.622 -6.835 3.601 1.00 . A A . 1 ARG NH1 1 1
4 668 1 1 2 ARG NH2 N -6.846 -5.840 4.534 1.00 . A A . 1 ARG NH2 1 1
4 669 1 1 2 ARG O O -6.257 -2.266 -2.090 1.00 . A A . 1 ARG O 1 1
4 670 1 1 3 PRO C C -6.040 0.822 -2.760 1.00 . A A . 2 PRO C 1 1
4 671 1 1 3 PRO CA C -7.352 0.054 -3.156 1.00 . A A . 2 PRO CA 1 1
4 672 1 1 3 PRO CB C -8.535 0.979 -3.505 1.00 . A A . 2 PRO CB 1 1
4 673 1 1 3 PRO CD C -9.188 -0.205 -1.507 1.00 . A A . 2 PRO CD 1 1
4 674 1 1 3 PRO CG C -9.286 1.163 -2.185 1.00 . A A . 2 PRO CG 1 1
4 675 1 1 3 PRO HA H -7.110 -0.570 -4.038 1.00 . A A . 2 PRO HA 1 1
4 676 1 1 3 PRO HB2 H -8.222 1.939 -3.959 1.00 . A A . 2 PRO HB2 1 1
4 677 1 1 3 PRO HB3 H -9.195 0.486 -4.244 1.00 . A A . 2 PRO HB3 1 1
4 678 1 1 3 PRO HD2 H -9.143 -0.087 -0.408 1.00 . A A . 2 PRO HD2 1 1
4 679 1 1 3 PRO HD3 H -10.069 -0.833 -1.741 1.00 . A A . 2 PRO HD3 1 1
4 680 1 1 3 PRO HG2 H -8.776 1.932 -1.577 1.00 . A A . 2 PRO HG2 1 1
4 681 1 1 3 PRO HG3 H -10.329 1.506 -2.315 1.00 . A A . 2 PRO HG3 1 1
4 682 1 1 3 PRO N N -7.959 -0.797 -2.084 1.00 . A A . 2 PRO N 1 1
4 683 1 1 3 PRO O O -5.137 0.987 -3.583 1.00 . A A . 2 PRO O 1 1
4 684 1 1 4 LEU C C -3.672 0.809 -0.332 1.00 . A A . 3 LEU C 1 1
4 685 1 1 4 LEU CA C -4.701 1.851 -0.908 1.00 . A A . 3 LEU CA 1 1
4 686 1 1 4 LEU CB C -5.152 2.899 0.157 1.00 . A A . 3 LEU CB 1 1
4 687 1 1 4 LEU CD1 C -7.588 3.697 0.287 1.00 . A A . 3 LEU CD1 1 1
4 688 1 1 4 LEU CD2 C -5.740 5.407 0.057 1.00 . A A . 3 LEU CD2 1 1
4 689 1 1 4 LEU CG C -6.186 3.978 -0.294 1.00 . A A . 3 LEU CG 1 1
4 690 1 1 4 LEU H H -6.724 0.950 -0.913 1.00 . A A . 3 LEU H 1 1
4 691 1 1 4 LEU HA H -4.158 2.410 -1.699 1.00 . A A . 3 LEU HA 1 1
4 692 1 1 4 LEU HB2 H -5.522 2.364 1.053 1.00 . A A . 3 LEU HB2 1 1
4 693 1 1 4 LEU HB3 H -4.239 3.396 0.536 1.00 . A A . 3 LEU HB3 1 1
4 694 1 1 4 LEU HD11 H -7.800 2.615 0.371 1.00 . A A . 3 LEU HD11 1 1
4 695 1 1 4 LEU HD12 H -7.726 4.124 1.297 1.00 . A A . 3 LEU HD12 1 1
4 696 1 1 4 LEU HD13 H -8.379 4.122 -0.359 1.00 . A A . 3 LEU HD13 1 1
4 697 1 1 4 LEU HD21 H -5.372 5.483 1.097 1.00 . A A . 3 LEU HD21 1 1
4 698 1 1 4 LEU HD22 H -4.923 5.741 -0.608 1.00 . A A . 3 LEU HD22 1 1
4 699 1 1 4 LEU HD23 H -6.561 6.139 -0.054 1.00 . A A . 3 LEU HD23 1 1
4 700 1 1 4 LEU HG H -6.278 3.941 -1.398 1.00 . A A . 3 LEU HG 1 1
4 701 1 1 4 LEU N N -5.927 1.236 -1.486 1.00 . A A . 3 LEU N 1 1
4 702 1 1 4 LEU O O -2.991 1.072 0.666 1.00 . A A . 3 LEU O 1 1
4 703 1 1 5 ASP C C -0.913 -0.688 -1.274 1.00 . A A . 4 ASP C 1 1
4 704 1 1 5 ASP CA C -2.313 -1.243 -0.794 1.00 . A A . 4 ASP CA 1 1
4 705 1 1 5 ASP CB C -2.695 -2.603 -1.446 1.00 . A A . 4 ASP CB 1 1
4 706 1 1 5 ASP CG C -2.118 -3.822 -0.726 1.00 . A A . 4 ASP CG 1 1
4 707 1 1 5 ASP H H -4.054 -0.411 -1.871 1.00 . A A . 4 ASP H 1 1
4 708 1 1 5 ASP HA H -2.228 -1.398 0.300 1.00 . A A . 4 ASP HA 1 1
4 709 1 1 5 ASP HB2 H -3.790 -2.768 -1.462 1.00 . A A . 4 ASP HB2 1 1
4 710 1 1 5 ASP HB3 H -2.400 -2.628 -2.512 1.00 . A A . 4 ASP HB3 1 1
4 711 1 1 5 ASP N N -3.472 -0.328 -1.027 1.00 . A A . 4 ASP N 1 1
4 712 1 1 5 ASP O O 0.129 -1.247 -0.932 1.00 . A A . 4 ASP O 1 1
4 713 1 1 5 ASP OD1 O -1.154 -4.429 -1.236 1.00 . A A . 4 ASP OD1 1 1
4 714 1 1 5 ASP OD2 O -2.636 -4.180 0.358 1.00 . A A . 4 ASP OD2 1 1
4 715 1 1 6 THR C C 0.602 2.550 -2.066 1.00 . A A . 5 THR C 1 1
4 716 1 1 6 THR CA C 0.338 1.077 -2.581 1.00 . A A . 5 THR CA 1 1
4 717 1 1 6 THR CB C 0.380 0.939 -4.149 1.00 . A A . 5 THR CB 1 1
4 718 1 1 6 THR CG2 C -0.234 -0.329 -4.784 1.00 . A A . 5 THR CG2 1 1
4 719 1 1 6 THR H H -1.836 0.739 -2.290 1.00 . A A . 5 THR H 1 1
4 720 1 1 6 THR HA H 1.206 0.525 -2.196 1.00 . A A . 5 THR HA 1 1
4 721 1 1 6 THR HB H 1.446 0.956 -4.449 1.00 . A A . 5 THR HB 1 1
4 722 1 1 6 THR HG1 H 0.350 2.781 -4.729 1.00 . A A . 5 THR HG1 1 1
4 723 1 1 6 THR HG21 H 0.203 -1.257 -4.371 1.00 . A A . 5 THR HG21 1 1
4 724 1 1 6 THR HG22 H -1.324 -0.379 -4.591 1.00 . A A . 5 THR HG22 1 1
4 725 1 1 6 THR HG23 H -0.114 -0.348 -5.881 1.00 . A A . 5 THR HG23 1 1
4 726 1 1 6 THR N N -0.895 0.426 -2.034 1.00 . A A . 5 THR N 1 1
4 727 1 1 6 THR O O 1.462 3.256 -2.597 1.00 . A A . 5 THR O 1 1
4 728 1 1 6 THR OG1 O -0.263 2.041 -4.784 1.00 . A A . 5 THR OG1 1 1
4 729 1 1 7 VAL C C 0.725 4.178 1.016 1.00 . A A . 6 VAL C 1 1
4 730 1 1 7 VAL CA C -0.006 4.327 -0.359 1.00 . A A . 6 VAL CA 1 1
4 731 1 1 7 VAL CB C -1.456 4.962 -0.310 1.00 . A A . 6 VAL CB 1 1
4 732 1 1 7 VAL CG1 C -1.820 5.823 0.926 1.00 . A A . 6 VAL CG1 1 1
4 733 1 1 7 VAL CG2 C -1.782 5.773 -1.591 1.00 . A A . 6 VAL CG2 1 1
4 734 1 1 7 VAL H H -0.794 2.276 -0.716 1.00 . A A . 6 VAL H 1 1
4 735 1 1 7 VAL HA H 0.650 4.997 -0.951 1.00 . A A . 6 VAL HA 1 1
4 736 1 1 7 VAL HB H -2.191 4.133 -0.273 1.00 . A A . 6 VAL HB 1 1
4 737 1 1 7 VAL HG11 H -1.120 6.667 1.068 1.00 . A A . 6 VAL HG11 1 1
4 738 1 1 7 VAL HG12 H -2.841 6.242 0.861 1.00 . A A . 6 VAL HG12 1 1
4 739 1 1 7 VAL HG13 H -1.800 5.228 1.859 1.00 . A A . 6 VAL HG13 1 1
4 740 1 1 7 VAL HG21 H -1.836 6.865 -1.415 1.00 . A A . 6 VAL HG21 1 1
4 741 1 1 7 VAL HG22 H -1.037 5.631 -2.396 1.00 . A A . 6 VAL HG22 1 1
4 742 1 1 7 VAL HG23 H -2.756 5.472 -2.018 1.00 . A A . 6 VAL HG23 1 1
4 743 1 1 7 VAL N N -0.125 2.990 -1.025 1.00 . A A . 6 VAL N 1 1
4 744 1 1 7 VAL O O 1.746 4.826 1.258 1.00 . A A . 6 VAL O 1 1
4 745 1 1 8 GLN C C 2.108 2.069 3.101 1.00 . A A . 7 GLN C 1 1
4 746 1 1 8 GLN CA C 0.838 2.972 3.201 1.00 . A A . 7 GLN CA 1 1
4 747 1 1 8 GLN CB C -0.284 2.347 4.093 1.00 . A A . 7 GLN CB 1 1
4 748 1 1 8 GLN CD C 0.076 3.345 6.470 1.00 . A A . 7 GLN CD 1 1
4 749 1 1 8 GLN CG C -0.793 3.301 5.202 1.00 . A A . 7 GLN CG 1 1
4 750 1 1 8 GLN H H -0.601 2.795 1.538 1.00 . A A . 7 GLN H 1 1
4 751 1 1 8 GLN HA H 1.203 3.905 3.676 1.00 . A A . 7 GLN HA 1 1
4 752 1 1 8 GLN HB2 H -1.155 2.006 3.495 1.00 . A A . 7 GLN HB2 1 1
4 753 1 1 8 GLN HB3 H 0.057 1.401 4.560 1.00 . A A . 7 GLN HB3 1 1
4 754 1 1 8 GLN HE21 H -0.908 4.961 7.115 1.00 . A A . 7 GLN HE21 1 1
4 755 1 1 8 GLN HE22 H 0.430 4.248 8.169 1.00 . A A . 7 GLN HE22 1 1
4 756 1 1 8 GLN HG2 H -0.907 4.322 4.786 1.00 . A A . 7 GLN HG2 1 1
4 757 1 1 8 GLN HG3 H -1.813 2.999 5.501 1.00 . A A . 7 GLN HG3 1 1
4 758 1 1 8 GLN N N 0.190 3.330 1.910 1.00 . A A . 7 GLN N 1 1
4 759 1 1 8 GLN NE2 N -0.164 4.296 7.336 1.00 . A A . 7 GLN NE2 1 1
4 760 1 1 8 GLN O O 3.018 2.191 3.924 1.00 . A A . 7 GLN O 1 1
4 761 1 1 8 GLN OE1 O 0.953 2.526 6.723 1.00 . A A . 7 GLN OE1 1 1
4 762 1 1 9 ARG C C 3.276 -0.345 0.483 1.00 . A A . 8 ARG C 1 1
4 763 1 1 9 ARG CA C 3.256 0.177 1.961 1.00 . A A . 8 ARG CA 1 1
4 764 1 1 9 ARG CB C 3.146 -0.930 3.050 1.00 . A A . 8 ARG CB 1 1
4 765 1 1 9 ARG CD C 2.114 -3.252 2.829 1.00 . A A . 8 ARG CD 1 1
4 766 1 1 9 ARG CG C 1.832 -1.769 3.075 1.00 . A A . 8 ARG CG 1 1
4 767 1 1 9 ARG CZ C 0.868 -5.337 3.407 1.00 . A A . 8 ARG CZ 1 1
4 768 1 1 9 ARG H H 1.369 1.210 1.465 1.00 . A A . 8 ARG H 1 1
4 769 1 1 9 ARG HA H 4.224 0.684 2.143 1.00 . A A . 8 ARG HA 1 1
4 770 1 1 9 ARG HB2 H 4.039 -1.577 2.957 1.00 . A A . 8 ARG HB2 1 1
4 771 1 1 9 ARG HB3 H 3.278 -0.458 4.044 1.00 . A A . 8 ARG HB3 1 1
4 772 1 1 9 ARG HD2 H 2.488 -3.398 1.794 1.00 . A A . 8 ARG HD2 1 1
4 773 1 1 9 ARG HD3 H 2.933 -3.563 3.507 1.00 . A A . 8 ARG HD3 1 1
4 774 1 1 9 ARG HE H -0.041 -3.654 2.852 1.00 . A A . 8 ARG HE 1 1
4 775 1 1 9 ARG HG2 H 1.315 -1.610 4.042 1.00 . A A . 8 ARG HG2 1 1
4 776 1 1 9 ARG HG3 H 1.116 -1.403 2.310 1.00 . A A . 8 ARG HG3 1 1
4 777 1 1 9 ARG HH11 H -0.267 -6.892 3.875 1.00 . A A . 8 ARG HH11 1 1
4 778 1 1 9 ARG HH12 H -1.109 -5.345 3.391 1.00 . A A . 8 ARG HH12 1 1
4 779 1 1 9 ARG HH21 H 1.874 -7.025 3.871 1.00 . A A . 8 ARG HH21 1 1
4 780 1 1 9 ARG HH22 H 2.811 -5.529 3.385 1.00 . A A . 8 ARG HH22 1 1
4 781 1 1 9 ARG N N 2.154 1.153 2.122 1.00 . A A . 8 ARG N 1 1
4 782 1 1 9 ARG NE N 0.883 -4.058 3.037 1.00 . A A . 8 ARG NE 1 1
4 783 1 1 9 ARG NH1 N -0.282 -5.912 3.589 1.00 . A A . 8 ARG NH1 1 1
4 784 1 1 9 ARG NH2 N 1.955 -6.046 3.595 1.00 . A A . 8 ARG NH2 1 1
4 785 1 1 9 ARG O O 2.779 -1.449 0.240 1.00 . A A . 8 ARG O 1 1
4 786 1 1 10 PRO C C 4.902 -1.400 -2.066 1.00 . A A . 9 PRO C 1 1
4 787 1 1 10 PRO CA C 3.926 -0.196 -1.924 1.00 . A A . 9 PRO CA 1 1
4 788 1 1 10 PRO CB C 4.331 1.071 -2.714 1.00 . A A . 9 PRO CB 1 1
4 789 1 1 10 PRO CD C 4.459 1.692 -0.395 1.00 . A A . 9 PRO CD 1 1
4 790 1 1 10 PRO CG C 5.172 1.887 -1.733 1.00 . A A . 9 PRO CG 1 1
4 791 1 1 10 PRO HA H 2.941 -0.566 -2.259 1.00 . A A . 9 PRO HA 1 1
4 792 1 1 10 PRO HB2 H 4.868 0.860 -3.658 1.00 . A A . 9 PRO HB2 1 1
4 793 1 1 10 PRO HB3 H 3.430 1.647 -3.000 1.00 . A A . 9 PRO HB3 1 1
4 794 1 1 10 PRO HD2 H 5.178 1.749 0.444 1.00 . A A . 9 PRO HD2 1 1
4 795 1 1 10 PRO HD3 H 3.683 2.470 -0.237 1.00 . A A . 9 PRO HD3 1 1
4 796 1 1 10 PRO HG2 H 6.200 1.475 -1.681 1.00 . A A . 9 PRO HG2 1 1
4 797 1 1 10 PRO HG3 H 5.262 2.951 -2.021 1.00 . A A . 9 PRO HG3 1 1
4 798 1 1 10 PRO N N 3.836 0.360 -0.544 1.00 . A A . 9 PRO N 1 1
4 799 1 1 10 PRO O O 5.595 -1.809 -1.126 1.00 . A A . 9 PRO O 1 1
4 800 1 1 11 LYS C C 7.553 -2.270 -3.804 1.00 . A A . 10 LYS C 1 1
4 801 1 1 11 LYS CA C 6.104 -2.886 -3.638 1.00 . A A . 10 LYS CA 1 1
4 802 1 1 11 LYS CB C 5.605 -3.727 -4.854 1.00 . A A . 10 LYS CB 1 1
4 803 1 1 11 LYS CD C 5.552 -6.140 -5.771 1.00 . A A . 10 LYS CD 1 1
4 804 1 1 11 LYS CE C 4.277 -6.898 -6.195 1.00 . A A . 10 LYS CE 1 1
4 805 1 1 11 LYS CG C 5.379 -5.228 -4.534 1.00 . A A . 10 LYS CG 1 1
4 806 1 1 11 LYS H H 4.471 -1.432 -4.010 1.00 . A A . 10 LYS H 1 1
4 807 1 1 11 LYS HA H 6.217 -3.574 -2.775 1.00 . A A . 10 LYS HA 1 1
4 808 1 1 11 LYS HB2 H 4.676 -3.323 -5.307 1.00 . A A . 10 LYS HB2 1 1
4 809 1 1 11 LYS HB3 H 6.335 -3.619 -5.679 1.00 . A A . 10 LYS HB3 1 1
4 810 1 1 11 LYS HD2 H 5.988 -5.557 -6.608 1.00 . A A . 10 LYS HD2 1 1
4 811 1 1 11 LYS HD3 H 6.352 -6.876 -5.552 1.00 . A A . 10 LYS HD3 1 1
4 812 1 1 11 LYS HE2 H 4.264 -7.902 -5.713 1.00 . A A . 10 LYS HE2 1 1
4 813 1 1 11 LYS HE3 H 3.360 -6.395 -5.812 1.00 . A A . 10 LYS HE3 1 1
4 814 1 1 11 LYS HG2 H 6.096 -5.565 -3.758 1.00 . A A . 10 LYS HG2 1 1
4 815 1 1 11 LYS HG3 H 4.390 -5.350 -4.044 1.00 . A A . 10 LYS HG3 1 1
4 816 1 1 11 LYS HZ1 H 4.191 -6.078 -8.122 1.00 . A A . 10 LYS HZ1 1 1
4 817 1 1 11 LYS HZ2 H 5.057 -7.465 -8.071 1.00 . A A . 10 LYS HZ2 1 1
4 818 1 1 11 LYS HZ3 H 3.408 -7.520 -8.032 1.00 . A A . 10 LYS HZ3 1 1
4 819 1 1 11 LYS N N 5.020 -1.919 -3.296 1.00 . A A . 10 LYS N 1 1
4 820 1 1 11 LYS NZ N 4.225 -7.005 -7.678 1.00 . A A . 10 LYS NZ 1 1
4 821 1 1 11 LYS O O 8.357 -2.735 -4.616 1.00 . A A . 10 LYS O 1 1
4 822 1 1 12 GLY C C 9.776 -0.681 -1.284 1.00 . A A . 11 GLY C 1 1
4 823 1 1 12 GLY CA C 9.294 -0.797 -2.758 1.00 . A A . 11 GLY CA 1 1
4 824 1 1 12 GLY H H 7.138 -1.062 -2.307 1.00 . A A . 11 GLY H 1 1
4 825 1 1 12 GLY HA2 H 10.030 -1.413 -3.308 1.00 . A A . 11 GLY HA2 1 1
4 826 1 1 12 GLY HA3 H 9.375 0.209 -3.211 1.00 . A A . 11 GLY HA3 1 1
4 827 1 1 12 GLY N N 7.899 -1.278 -2.966 1.00 . A A . 11 GLY N 1 1
4 828 1 1 12 GLY O O 10.730 0.052 -1.026 1.00 . A A . 11 GLY O 1 1
4 829 1 1 13 TYR C C 9.701 -2.857 1.596 1.00 . A A . 12 TYR C 1 1
4 830 1 1 13 TYR CA C 9.497 -1.388 1.108 1.00 . A A . 12 TYR CA 1 1
4 831 1 1 13 TYR CB C 8.419 -0.573 1.902 1.00 . A A . 12 TYR CB 1 1
4 832 1 1 13 TYR CD1 C 8.902 1.903 1.513 1.00 . A A . 12 TYR CD1 1 1
4 833 1 1 13 TYR CD2 C 9.296 0.978 3.711 1.00 . A A . 12 TYR CD2 1 1
4 834 1 1 13 TYR CE1 C 9.345 3.149 1.959 1.00 . A A . 12 TYR CE1 1 1
4 835 1 1 13 TYR CE2 C 9.728 2.226 4.155 1.00 . A A . 12 TYR CE2 1 1
4 836 1 1 13 TYR CG C 8.882 0.811 2.382 1.00 . A A . 12 TYR CG 1 1
4 837 1 1 13 TYR CZ C 9.763 3.303 3.282 1.00 . A A . 12 TYR CZ 1 1
4 838 1 1 13 TYR H H 8.354 -1.938 -0.707 1.00 . A A . 12 TYR H 1 1
4 839 1 1 13 TYR HA H 10.489 -0.911 1.253 1.00 . A A . 12 TYR HA 1 1
4 840 1 1 13 TYR HB2 H 7.481 -0.461 1.323 1.00 . A A . 12 TYR HB2 1 1
4 841 1 1 13 TYR HB3 H 8.083 -1.149 2.785 1.00 . A A . 12 TYR HB3 1 1
4 842 1 1 13 TYR HD1 H 8.592 1.787 0.484 1.00 . A A . 12 TYR HD1 1 1
4 843 1 1 13 TYR HD2 H 9.292 0.147 4.398 1.00 . A A . 12 TYR HD2 1 1
4 844 1 1 13 TYR HE1 H 9.365 3.986 1.279 1.00 . A A . 12 TYR HE1 1 1
4 845 1 1 13 TYR HE2 H 10.054 2.352 5.178 1.00 . A A . 12 TYR HE2 1 1
4 846 1 1 13 TYR HH H 10.550 5.015 2.966 1.00 . A A . 12 TYR HH 1 1
4 847 1 1 13 TYR N N 9.142 -1.396 -0.338 1.00 . A A . 12 TYR N 1 1
4 848 1 1 13 TYR O O 10.822 -3.317 1.790 1.00 . A A . 12 TYR O 1 1
4 849 1 1 13 TYR OH O 10.247 4.507 3.721 1.00 . A A . 12 TYR OH 1 1
4 850 1 1 14 NH2 HN1 H 8.936 -4.594 2.148 1.00 . A A . 13 NH2 HN1 1 1
4 851 1 1 14 NH2 HN2 H 7.736 -3.272 1.679 1.00 . A A . 13 NH2 HN2 1 1
4 852 1 1 14 NH2 N N 8.673 -3.663 1.811 1.00 . A A . 13 NH2 N 1 1
5 853 1 1 1 ACE C C -9.535 -4.136 -1.432 1.00 . A A . 0 ACE C 1 1
5 854 1 1 1 ACE CH3 C -10.988 -4.475 -1.679 1.00 . A A . 0 ACE CH3 1 1
5 855 1 1 1 ACE H1 H -11.651 -3.597 -1.569 1.00 . A A . 0 ACE H1 1 1
5 856 1 1 1 ACE H2 H -11.116 -4.852 -2.708 1.00 . A A . 0 ACE H2 1 1
5 857 1 1 1 ACE H3 H -11.326 -5.264 -0.986 1.00 . A A . 0 ACE H3 1 1
5 858 1 1 1 ACE O O -8.651 -4.594 -2.152 1.00 . A A . 0 ACE O 1 1
5 859 1 1 2 ARG C C -7.253 -2.034 -1.264 1.00 . A A . 1 ARG C 1 1
5 860 1 1 2 ARG CA C -7.972 -2.749 -0.055 1.00 . A A . 1 ARG CA 1 1
5 861 1 1 2 ARG CB C -7.066 -3.758 0.718 1.00 . A A . 1 ARG CB 1 1
5 862 1 1 2 ARG CD C -8.575 -5.668 1.605 1.00 . A A . 1 ARG CD 1 1
5 863 1 1 2 ARG CG C -7.666 -4.462 1.960 1.00 . A A . 1 ARG CG 1 1
5 864 1 1 2 ARG CZ C -8.974 -6.793 3.812 1.00 . A A . 1 ARG CZ 1 1
5 865 1 1 2 ARG H H -10.171 -3.059 0.100 1.00 . A A . 1 ARG H 1 1
5 866 1 1 2 ARG HA H -8.157 -1.936 0.673 1.00 . A A . 1 ARG HA 1 1
5 867 1 1 2 ARG HB2 H -6.669 -4.513 0.011 1.00 . A A . 1 ARG HB2 1 1
5 868 1 1 2 ARG HB3 H -6.156 -3.214 1.045 1.00 . A A . 1 ARG HB3 1 1
5 869 1 1 2 ARG HD2 H -9.628 -5.349 1.461 1.00 . A A . 1 ARG HD2 1 1
5 870 1 1 2 ARG HD3 H -8.295 -6.065 0.606 1.00 . A A . 1 ARG HD3 1 1
5 871 1 1 2 ARG HE H -7.950 -7.631 2.329 1.00 . A A . 1 ARG HE 1 1
5 872 1 1 2 ARG HG2 H -6.827 -4.791 2.606 1.00 . A A . 1 ARG HG2 1 1
5 873 1 1 2 ARG HG3 H -8.220 -3.729 2.578 1.00 . A A . 1 ARG HG3 1 1
5 874 1 1 2 ARG HH11 H -9.113 -7.815 5.509 1.00 . A A . 1 ARG HH11 1 1
5 875 1 1 2 ARG HH12 H -8.182 -8.577 4.141 1.00 . A A . 1 ARG HH12 1 1
5 876 1 1 2 ARG HH21 H -10.010 -5.874 5.276 1.00 . A A . 1 ARG HH21 1 1
5 877 1 1 2 ARG HH22 H -9.805 -5.032 3.660 1.00 . A A . 1 ARG HH22 1 1
5 878 1 1 2 ARG N N -9.317 -3.317 -0.398 1.00 . A A . 1 ARG N 1 1
5 879 1 1 2 ARG NE N -8.472 -6.787 2.579 1.00 . A A . 1 ARG NE 1 1
5 880 1 1 2 ARG NH1 N -8.741 -7.830 4.559 1.00 . A A . 1 ARG NH1 1 1
5 881 1 1 2 ARG NH2 N -9.677 -5.809 4.313 1.00 . A A . 1 ARG NH2 1 1
5 882 1 1 2 ARG O O -6.143 -2.439 -1.622 1.00 . A A . 1 ARG O 1 1
5 883 1 1 3 PRO C C -5.875 0.525 -2.716 1.00 . A A . 2 PRO C 1 1
5 884 1 1 3 PRO CA C -7.159 -0.302 -3.076 1.00 . A A . 2 PRO CA 1 1
5 885 1 1 3 PRO CB C -8.331 0.527 -3.636 1.00 . A A . 2 PRO CB 1 1
5 886 1 1 3 PRO CD C -9.081 -0.318 -1.503 1.00 . A A . 2 PRO CD 1 1
5 887 1 1 3 PRO CG C -9.165 0.911 -2.411 1.00 . A A . 2 PRO CG 1 1
5 888 1 1 3 PRO HA H -6.860 -1.055 -3.832 1.00 . A A . 2 PRO HA 1 1
5 889 1 1 3 PRO HB2 H -8.005 1.405 -4.226 1.00 . A A . 2 PRO HB2 1 1
5 890 1 1 3 PRO HB3 H -8.941 -0.099 -4.316 1.00 . A A . 2 PRO HB3 1 1
5 891 1 1 3 PRO HD2 H -9.066 -0.027 -0.434 1.00 . A A . 2 PRO HD2 1 1
5 892 1 1 3 PRO HD3 H -9.952 -0.979 -1.665 1.00 . A A . 2 PRO HD3 1 1
5 893 1 1 3 PRO HG2 H -8.714 1.792 -1.922 1.00 . A A . 2 PRO HG2 1 1
5 894 1 1 3 PRO HG3 H -10.206 1.184 -2.658 1.00 . A A . 2 PRO HG3 1 1
5 895 1 1 3 PRO N N -7.829 -0.984 -1.928 1.00 . A A . 2 PRO N 1 1
5 896 1 1 3 PRO O O -4.936 0.614 -3.509 1.00 . A A . 2 PRO O 1 1
5 897 1 1 4 LEU C C -3.579 0.614 -0.282 1.00 . A A . 3 LEU C 1 1
5 898 1 1 4 LEU CA C -4.612 1.652 -0.865 1.00 . A A . 3 LEU CA 1 1
5 899 1 1 4 LEU CB C -5.128 2.650 0.220 1.00 . A A . 3 LEU CB 1 1
5 900 1 1 4 LEU CD1 C -7.539 3.512 0.287 1.00 . A A . 3 LEU CD1 1 1
5 901 1 1 4 LEU CD2 C -5.668 5.178 0.155 1.00 . A A . 3 LEU CD2 1 1
5 902 1 1 4 LEU CG C -6.118 3.767 -0.248 1.00 . A A . 3 LEU CG 1 1
5 903 1 1 4 LEU H H -6.641 0.786 -0.926 1.00 . A A . 3 LEU H 1 1
5 904 1 1 4 LEU HA H -4.065 2.240 -1.630 1.00 . A A . 3 LEU HA 1 1
5 905 1 1 4 LEU HB2 H -5.566 2.071 1.058 1.00 . A A . 3 LEU HB2 1 1
5 906 1 1 4 LEU HB3 H -4.242 3.116 0.691 1.00 . A A . 3 LEU HB3 1 1
5 907 1 1 4 LEU HD11 H -8.261 4.268 -0.074 1.00 . A A . 3 LEU HD11 1 1
5 908 1 1 4 LEU HD12 H -7.923 2.526 -0.024 1.00 . A A . 3 LEU HD12 1 1
5 909 1 1 4 LEU HD13 H -7.574 3.524 1.393 1.00 . A A . 3 LEU HD13 1 1
5 910 1 1 4 LEU HD21 H -5.860 5.398 1.222 1.00 . A A . 3 LEU HD21 1 1
5 911 1 1 4 LEU HD22 H -4.591 5.322 -0.024 1.00 . A A . 3 LEU HD22 1 1
5 912 1 1 4 LEU HD23 H -6.190 5.948 -0.443 1.00 . A A . 3 LEU HD23 1 1
5 913 1 1 4 LEU HG H -6.163 3.758 -1.356 1.00 . A A . 3 LEU HG 1 1
5 914 1 1 4 LEU N N -5.822 1.049 -1.481 1.00 . A A . 3 LEU N 1 1
5 915 1 1 4 LEU O O -2.896 0.895 0.709 1.00 . A A . 3 LEU O 1 1
5 916 1 1 5 ASP C C -0.799 -0.834 -1.234 1.00 . A A . 4 ASP C 1 1
5 917 1 1 5 ASP CA C -2.183 -1.417 -0.740 1.00 . A A . 4 ASP CA 1 1
5 918 1 1 5 ASP CB C -2.527 -2.791 -1.385 1.00 . A A . 4 ASP CB 1 1
5 919 1 1 5 ASP CG C -1.896 -3.989 -0.674 1.00 . A A . 4 ASP CG 1 1
5 920 1 1 5 ASP H H -3.948 -0.625 -1.808 1.00 . A A . 4 ASP H 1 1
5 921 1 1 5 ASP HA H -2.085 -1.567 0.355 1.00 . A A . 4 ASP HA 1 1
5 922 1 1 5 ASP HB2 H -3.615 -2.991 -1.389 1.00 . A A . 4 ASP HB2 1 1
5 923 1 1 5 ASP HB3 H -2.243 -2.805 -2.456 1.00 . A A . 4 ASP HB3 1 1
5 924 1 1 5 ASP N N -3.367 -0.532 -0.963 1.00 . A A . 4 ASP N 1 1
5 925 1 1 5 ASP O O 0.262 -1.370 -0.914 1.00 . A A . 4 ASP O 1 1
5 926 1 1 5 ASP OD1 O -2.306 -4.295 0.469 1.00 . A A . 4 ASP OD1 1 1
5 927 1 1 5 ASP OD2 O -0.995 -4.633 -1.251 1.00 . A A . 4 ASP OD2 1 1
5 928 1 1 6 THR C C 0.633 2.432 -2.001 1.00 . A A . 5 THR C 1 1
5 929 1 1 6 THR CA C 0.375 0.972 -2.560 1.00 . A A . 5 THR CA 1 1
5 930 1 1 6 THR CB C 0.398 0.859 -4.134 1.00 . A A . 5 THR CB 1 1
5 931 1 1 6 THR CG2 C -0.458 -0.234 -4.820 1.00 . A A . 5 THR CG2 1 1
5 932 1 1 6 THR H H -1.778 0.565 -2.229 1.00 . A A . 5 THR H 1 1
5 933 1 1 6 THR HA H 1.263 0.432 -2.205 1.00 . A A . 5 THR HA 1 1
5 934 1 1 6 THR HB H 1.452 0.664 -4.415 1.00 . A A . 5 THR HB 1 1
5 935 1 1 6 THR HG1 H 0.478 2.132 -5.584 1.00 . A A . 5 THR HG1 1 1
5 936 1 1 6 THR HG21 H -0.311 -1.227 -4.353 1.00 . A A . 5 THR HG21 1 1
5 937 1 1 6 THR HG22 H -1.537 -0.001 -4.722 1.00 . A A . 5 THR HG22 1 1
5 938 1 1 6 THR HG23 H -0.248 -0.335 -5.899 1.00 . A A . 5 THR HG23 1 1
5 939 1 1 6 THR N N -0.822 0.281 -1.991 1.00 . A A . 5 THR N 1 1
5 940 1 1 6 THR O O 1.580 3.106 -2.413 1.00 . A A . 5 THR O 1 1
5 941 1 1 6 THR OG1 O 0.002 2.081 -4.751 1.00 . A A . 5 THR OG1 1 1
5 942 1 1 7 VAL C C 0.693 4.074 1.001 1.00 . A A . 6 VAL C 1 1
5 943 1 1 7 VAL CA C -0.066 4.220 -0.357 1.00 . A A . 6 VAL CA 1 1
5 944 1 1 7 VAL CB C -1.511 4.854 -0.279 1.00 . A A . 6 VAL CB 1 1
5 945 1 1 7 VAL CG1 C -1.810 5.748 0.951 1.00 . A A . 6 VAL CG1 1 1
5 946 1 1 7 VAL CG2 C -1.843 5.640 -1.567 1.00 . A A . 6 VAL CG2 1 1
5 947 1 1 7 VAL H H -0.862 2.181 -0.755 1.00 . A A . 6 VAL H 1 1
5 948 1 1 7 VAL HA H 0.576 4.898 -0.958 1.00 . A A . 6 VAL HA 1 1
5 949 1 1 7 VAL HB H -2.259 4.037 -0.209 1.00 . A A . 6 VAL HB 1 1
5 950 1 1 7 VAL HG11 H -1.030 6.513 1.114 1.00 . A A . 6 VAL HG11 1 1
5 951 1 1 7 VAL HG12 H -2.779 6.273 0.881 1.00 . A A . 6 VAL HG12 1 1
5 952 1 1 7 VAL HG13 H -1.866 5.139 1.874 1.00 . A A . 6 VAL HG13 1 1
5 953 1 1 7 VAL HG21 H -1.043 6.354 -1.837 1.00 . A A . 6 VAL HG21 1 1
5 954 1 1 7 VAL HG22 H -1.973 4.959 -2.429 1.00 . A A . 6 VAL HG22 1 1
5 955 1 1 7 VAL HG23 H -2.779 6.224 -1.485 1.00 . A A . 6 VAL HG23 1 1
5 956 1 1 7 VAL N N -0.189 2.898 -1.045 1.00 . A A . 6 VAL N 1 1
5 957 1 1 7 VAL O O 1.703 4.744 1.228 1.00 . A A . 6 VAL O 1 1
5 958 1 1 8 GLN C C 2.155 2.030 3.094 1.00 . A A . 7 GLN C 1 1
5 959 1 1 8 GLN CA C 0.863 2.898 3.192 1.00 . A A . 7 GLN CA 1 1
5 960 1 1 8 GLN CB C -0.220 2.266 4.124 1.00 . A A . 7 GLN CB 1 1
5 961 1 1 8 GLN CD C 0.192 3.437 6.376 1.00 . A A . 7 GLN CD 1 1
5 962 1 1 8 GLN CG C -0.765 3.245 5.192 1.00 . A A . 7 GLN CG 1 1
5 963 1 1 8 GLN H H -0.595 2.663 1.548 1.00 . A A . 7 GLN H 1 1
5 964 1 1 8 GLN HA H 1.214 3.849 3.639 1.00 . A A . 7 GLN HA 1 1
5 965 1 1 8 GLN HB2 H -1.076 1.856 3.548 1.00 . A A . 7 GLN HB2 1 1
5 966 1 1 8 GLN HB3 H 0.171 1.363 4.637 1.00 . A A . 7 GLN HB3 1 1
5 967 1 1 8 GLN HE21 H 0.667 5.289 5.789 1.00 . A A . 7 GLN HE21 1 1
5 968 1 1 8 GLN HE22 H 1.509 4.580 7.266 1.00 . A A . 7 GLN HE22 1 1
5 969 1 1 8 GLN HG2 H -1.038 4.212 4.725 1.00 . A A . 7 GLN HG2 1 1
5 970 1 1 8 GLN HG3 H -1.714 2.853 5.599 1.00 . A A . 7 GLN HG3 1 1
5 971 1 1 8 GLN N N 0.188 3.219 1.905 1.00 . A A . 7 GLN N 1 1
5 972 1 1 8 GLN NE2 N 0.817 4.582 6.512 1.00 . A A . 7 GLN NE2 1 1
5 973 1 1 8 GLN O O 3.056 2.175 3.924 1.00 . A A . 7 GLN O 1 1
5 974 1 1 8 GLN OE1 O 0.407 2.541 7.183 1.00 . A A . 7 GLN OE1 1 1
5 975 1 1 9 ARG C C 3.389 -0.357 0.479 1.00 . A A . 8 ARG C 1 1
5 976 1 1 9 ARG CA C 3.358 0.171 1.956 1.00 . A A . 8 ARG CA 1 1
5 977 1 1 9 ARG CB C 3.282 -0.934 3.050 1.00 . A A . 8 ARG CB 1 1
5 978 1 1 9 ARG CD C 2.313 -3.284 2.843 1.00 . A A . 8 ARG CD 1 1
5 979 1 1 9 ARG CG C 1.993 -1.807 3.087 1.00 . A A . 8 ARG CG 1 1
5 980 1 1 9 ARG CZ C 1.114 -5.439 3.203 1.00 . A A . 8 ARG CZ 1 1
5 981 1 1 9 ARG H H 1.443 1.151 1.457 1.00 . A A . 8 ARG H 1 1
5 982 1 1 9 ARG HA H 4.311 0.707 2.131 1.00 . A A . 8 ARG HA 1 1
5 983 1 1 9 ARG HB2 H 4.193 -1.557 2.958 1.00 . A A . 8 ARG HB2 1 1
5 984 1 1 9 ARG HB3 H 3.407 -0.454 4.041 1.00 . A A . 8 ARG HB3 1 1
5 985 1 1 9 ARG HD2 H 2.716 -3.411 1.816 1.00 . A A . 8 ARG HD2 1 1
5 986 1 1 9 ARG HD3 H 3.119 -3.587 3.541 1.00 . A A . 8 ARG HD3 1 1
5 987 1 1 9 ARG HE H 0.164 -3.708 2.958 1.00 . A A . 8 ARG HE 1 1
5 988 1 1 9 ARG HG2 H 1.476 -1.664 4.056 1.00 . A A . 8 ARG HG2 1 1
5 989 1 1 9 ARG HG3 H 1.263 -1.464 2.323 1.00 . A A . 8 ARG HG3 1 1
5 990 1 1 9 ARG HH11 H 0.018 -7.058 3.532 1.00 . A A . 8 ARG HH11 1 1
5 991 1 1 9 ARG HH12 H -0.861 -5.471 3.326 1.00 . A A . 8 ARG HH12 1 1
5 992 1 1 9 ARG HH21 H 2.156 -7.162 3.346 1.00 . A A . 8 ARG HH21 1 1
5 993 1 1 9 ARG HH22 H 3.049 -5.598 3.007 1.00 . A A . 8 ARG HH22 1 1
5 994 1 1 9 ARG N N 2.229 1.115 2.114 1.00 . A A . 8 ARG N 1 1
5 995 1 1 9 ARG NE N 1.100 -4.121 3.017 1.00 . A A . 8 ARG NE 1 1
5 996 1 1 9 ARG NH1 N -0.018 -6.048 3.389 1.00 . A A . 8 ARG NH1 1 1
5 997 1 1 9 ARG NH2 N 2.215 -6.153 3.209 1.00 . A A . 8 ARG NH2 1 1
5 998 1 1 9 ARG O O 2.927 -1.478 0.241 1.00 . A A . 8 ARG O 1 1
5 999 1 1 10 PRO C C 5.029 -1.368 -2.087 1.00 . A A . 9 PRO C 1 1
5 1000 1 1 10 PRO CA C 4.021 -0.194 -1.934 1.00 . A A . 9 PRO CA 1 1
5 1001 1 1 10 PRO CB C 4.383 1.081 -2.730 1.00 . A A . 9 PRO CB 1 1
5 1002 1 1 10 PRO CD C 4.498 1.716 -0.415 1.00 . A A . 9 PRO CD 1 1
5 1003 1 1 10 PRO CG C 5.200 1.930 -1.755 1.00 . A A . 9 PRO CG 1 1
5 1004 1 1 10 PRO HA H 3.044 -0.592 -2.260 1.00 . A A . 9 PRO HA 1 1
5 1005 1 1 10 PRO HB2 H 4.926 0.886 -3.675 1.00 . A A . 9 PRO HB2 1 1
5 1006 1 1 10 PRO HB3 H 3.465 1.623 -3.022 1.00 . A A . 9 PRO HB3 1 1
5 1007 1 1 10 PRO HD2 H 5.217 1.804 0.421 1.00 . A A . 9 PRO HD2 1 1
5 1008 1 1 10 PRO HD3 H 3.695 2.466 -0.258 1.00 . A A . 9 PRO HD3 1 1
5 1009 1 1 10 PRO HG2 H 6.240 1.554 -1.705 1.00 . A A . 9 PRO HG2 1 1
5 1010 1 1 10 PRO HG3 H 5.250 2.995 -2.048 1.00 . A A . 9 PRO HG3 1 1
5 1011 1 1 10 PRO N N 3.924 0.360 -0.555 1.00 . A A . 9 PRO N 1 1
5 1012 1 1 10 PRO O O 5.735 -1.766 -1.150 1.00 . A A . 9 PRO O 1 1
5 1013 1 1 11 LYS C C 7.708 -2.146 -3.838 1.00 . A A . 10 LYS C 1 1
5 1014 1 1 11 LYS CA C 6.279 -2.800 -3.676 1.00 . A A . 10 LYS CA 1 1
5 1015 1 1 11 LYS CB C 5.813 -3.648 -4.901 1.00 . A A . 10 LYS CB 1 1
5 1016 1 1 11 LYS CD C 5.782 -6.072 -5.781 1.00 . A A . 10 LYS CD 1 1
5 1017 1 1 11 LYS CE C 4.892 -7.328 -5.799 1.00 . A A . 10 LYS CE 1 1
5 1018 1 1 11 LYS CG C 5.577 -5.137 -4.567 1.00 . A A . 10 LYS CG 1 1
5 1019 1 1 11 LYS H H 4.591 -1.403 -4.030 1.00 . A A . 10 LYS H 1 1
5 1020 1 1 11 LYS HA H 6.417 -3.488 -2.818 1.00 . A A . 10 LYS HA 1 1
5 1021 1 1 11 LYS HB2 H 4.887 -3.252 -5.368 1.00 . A A . 10 LYS HB2 1 1
5 1022 1 1 11 LYS HB3 H 6.551 -3.555 -5.722 1.00 . A A . 10 LYS HB3 1 1
5 1023 1 1 11 LYS HD2 H 5.595 -5.513 -6.721 1.00 . A A . 10 LYS HD2 1 1
5 1024 1 1 11 LYS HD3 H 6.856 -6.346 -5.848 1.00 . A A . 10 LYS HD3 1 1
5 1025 1 1 11 LYS HE2 H 3.825 -7.017 -5.865 1.00 . A A . 10 LYS HE2 1 1
5 1026 1 1 11 LYS HE3 H 5.078 -7.893 -6.740 1.00 . A A . 10 LYS HE3 1 1
5 1027 1 1 11 LYS HG2 H 6.262 -5.471 -3.762 1.00 . A A . 10 LYS HG2 1 1
5 1028 1 1 11 LYS HG3 H 4.560 -5.236 -4.136 1.00 . A A . 10 LYS HG3 1 1
5 1029 1 1 11 LYS HZ1 H 6.099 -8.523 -4.546 1.00 . A A . 10 LYS HZ1 1 1
5 1030 1 1 11 LYS HZ2 H 4.958 -7.681 -3.731 1.00 . A A . 10 LYS HZ2 1 1
5 1031 1 1 11 LYS HZ3 H 4.528 -9.026 -4.573 1.00 . A A . 10 LYS HZ3 1 1
5 1032 1 1 11 LYS N N 5.163 -1.874 -3.322 1.00 . A A . 10 LYS N 1 1
5 1033 1 1 11 LYS NZ N 5.129 -8.192 -4.608 1.00 . A A . 10 LYS NZ 1 1
5 1034 1 1 11 LYS O O 8.529 -2.597 -4.640 1.00 . A A . 10 LYS O 1 1
5 1035 1 1 12 GLY C C 9.891 -0.497 -1.328 1.00 . A A . 11 GLY C 1 1
5 1036 1 1 12 GLY CA C 9.403 -0.621 -2.798 1.00 . A A . 11 GLY CA 1 1
5 1037 1 1 12 GLY H H 7.254 -0.943 -2.347 1.00 . A A . 11 GLY H 1 1
5 1038 1 1 12 GLY HA2 H 10.155 -1.212 -3.354 1.00 . A A . 11 GLY HA2 1 1
5 1039 1 1 12 GLY HA3 H 9.452 0.388 -3.247 1.00 . A A . 11 GLY HA3 1 1
5 1040 1 1 12 GLY N N 8.023 -1.142 -3.003 1.00 . A A . 11 GLY N 1 1
5 1041 1 1 12 GLY O O 10.832 0.256 -1.075 1.00 . A A . 11 GLY O 1 1
5 1042 1 1 13 TYR C C 9.888 -2.665 1.558 1.00 . A A . 12 TYR C 1 1
5 1043 1 1 13 TYR CA C 9.640 -1.203 1.068 1.00 . A A . 12 TYR CA 1 1
5 1044 1 1 13 TYR CB C 8.547 -0.415 1.868 1.00 . A A . 12 TYR CB 1 1
5 1045 1 1 13 TYR CD1 C 9.060 2.042 1.411 1.00 . A A . 12 TYR CD1 1 1
5 1046 1 1 13 TYR CD2 C 9.260 1.225 3.677 1.00 . A A . 12 TYR CD2 1 1
5 1047 1 1 13 TYR CE1 C 9.465 3.309 1.834 1.00 . A A . 12 TYR CE1 1 1
5 1048 1 1 13 TYR CE2 C 9.663 2.493 4.097 1.00 . A A . 12 TYR CE2 1 1
5 1049 1 1 13 TYR CG C 8.965 0.992 2.328 1.00 . A A . 12 TYR CG 1 1
5 1050 1 1 13 TYR CZ C 9.772 3.527 3.174 1.00 . A A . 12 TYR CZ 1 1
5 1051 1 1 13 TYR H H 8.497 -1.782 -0.739 1.00 . A A . 12 TYR H 1 1
5 1052 1 1 13 TYR HA H 10.620 -0.699 1.206 1.00 . A A . 12 TYR HA 1 1
5 1053 1 1 13 TYR HB2 H 7.600 -0.337 1.297 1.00 . A A . 12 TYR HB2 1 1
5 1054 1 1 13 TYR HB3 H 8.240 -0.995 2.759 1.00 . A A . 12 TYR HB3 1 1
5 1055 1 1 13 TYR HD1 H 8.847 1.878 0.365 1.00 . A A . 12 TYR HD1 1 1
5 1056 1 1 13 TYR HD2 H 9.187 0.429 4.402 1.00 . A A . 12 TYR HD2 1 1
5 1057 1 1 13 TYR HE1 H 9.559 4.115 1.124 1.00 . A A . 12 TYR HE1 1 1
5 1058 1 1 13 TYR HE2 H 9.888 2.660 5.140 1.00 . A A . 12 TYR HE2 1 1
5 1059 1 1 13 TYR HH H 10.615 4.679 4.441 1.00 . A A . 12 TYR HH 1 1
5 1060 1 1 13 TYR N N 9.277 -1.224 -0.376 1.00 . A A . 12 TYR N 1 1
5 1061 1 1 13 TYR O O 11.022 -3.092 1.752 1.00 . A A . 12 TYR O 1 1
5 1062 1 1 13 TYR OH O 10.215 4.761 3.574 1.00 . A A . 12 TYR OH 1 1
5 1063 1 1 14 NH2 HN1 H 9.174 -4.419 2.120 1.00 . A A . 13 NH2 HN1 1 1
5 1064 1 1 14 NH2 HN2 H 7.936 -3.134 1.649 1.00 . A A . 13 NH2 HN2 1 1
5 1065 1 1 14 NH2 N N 8.884 -3.500 1.776 1.00 . A A . 13 NH2 N 1 1
6 1066 1 1 1 ACE C C -8.845 -4.940 -0.520 1.00 . A A . 0 ACE C 1 1
6 1067 1 1 1 ACE CH3 C -8.467 -6.405 -0.419 1.00 . A A . 0 ACE CH3 1 1
6 1068 1 1 1 ACE H1 H -8.937 -6.971 -1.243 1.00 . A A . 0 ACE H1 1 1
6 1069 1 1 1 ACE H2 H -7.378 -6.592 -0.467 1.00 . A A . 0 ACE H2 1 1
6 1070 1 1 1 ACE H3 H -8.844 -6.825 0.530 1.00 . A A . 0 ACE H3 1 1
6 1071 1 1 1 ACE O O -10.013 -4.617 -0.731 1.00 . A A . 0 ACE O 1 1
6 1072 1 1 2 ARG C C -7.383 -1.915 -1.587 1.00 . A A . 1 ARG C 1 1
6 1073 1 1 2 ARG CA C -8.071 -2.589 -0.348 1.00 . A A . 1 ARG CA 1 1
6 1074 1 1 2 ARG CB C -7.543 -1.983 0.984 1.00 . A A . 1 ARG CB 1 1
6 1075 1 1 2 ARG CD C -7.659 -2.096 3.594 1.00 . A A . 1 ARG CD 1 1
6 1076 1 1 2 ARG CG C -8.335 -2.419 2.250 1.00 . A A . 1 ARG CG 1 1
6 1077 1 1 2 ARG CZ C -5.718 -3.037 4.876 1.00 . A A . 1 ARG CZ 1 1
6 1078 1 1 2 ARG H H -6.927 -4.487 -0.259 1.00 . A A . 1 ARG H 1 1
6 1079 1 1 2 ARG HA H -9.155 -2.369 -0.398 1.00 . A A . 1 ARG HA 1 1
6 1080 1 1 2 ARG HB2 H -6.465 -2.222 1.085 1.00 . A A . 1 ARG HB2 1 1
6 1081 1 1 2 ARG HB3 H -7.568 -0.877 0.930 1.00 . A A . 1 ARG HB3 1 1
6 1082 1 1 2 ARG HD2 H -7.416 -1.015 3.652 1.00 . A A . 1 ARG HD2 1 1
6 1083 1 1 2 ARG HD3 H -8.390 -2.297 4.405 1.00 . A A . 1 ARG HD3 1 1
6 1084 1 1 2 ARG HE H -6.077 -3.473 2.972 1.00 . A A . 1 ARG HE 1 1
6 1085 1 1 2 ARG HG2 H -9.335 -1.943 2.223 1.00 . A A . 1 ARG HG2 1 1
6 1086 1 1 2 ARG HG3 H -8.558 -3.504 2.214 1.00 . A A . 1 ARG HG3 1 1
6 1087 1 1 2 ARG HH11 H -4.120 -3.863 5.717 1.00 . A A . 1 ARG HH11 1 1
6 1088 1 1 2 ARG HH12 H -4.445 -4.250 3.964 1.00 . A A . 1 ARG HH12 1 1
6 1089 1 1 2 ARG HH21 H -5.421 -2.557 6.809 1.00 . A A . 1 ARG HH21 1 1
6 1090 1 1 2 ARG HH22 H -6.865 -1.853 5.932 1.00 . A A . 1 ARG HH22 1 1
6 1091 1 1 2 ARG N N -7.858 -4.065 -0.334 1.00 . A A . 1 ARG N 1 1
6 1092 1 1 2 ARG NE N -6.439 -2.934 3.764 1.00 . A A . 1 ARG NE 1 1
6 1093 1 1 2 ARG NH1 N -4.657 -3.791 4.852 1.00 . A A . 1 ARG NH1 1 1
6 1094 1 1 2 ARG NH2 N -6.020 -2.423 5.993 1.00 . A A . 1 ARG NH2 1 1
6 1095 1 1 2 ARG O O -6.286 -2.344 -1.964 1.00 . A A . 1 ARG O 1 1
6 1096 1 1 3 PRO C C -5.907 0.704 -2.797 1.00 . A A . 2 PRO C 1 1
6 1097 1 1 3 PRO CA C -7.188 -0.067 -3.273 1.00 . A A . 2 PRO CA 1 1
6 1098 1 1 3 PRO CB C -8.306 0.849 -3.809 1.00 . A A . 2 PRO CB 1 1
6 1099 1 1 3 PRO CD C -9.176 -0.155 -1.790 1.00 . A A . 2 PRO CD 1 1
6 1100 1 1 3 PRO CG C -9.182 1.150 -2.591 1.00 . A A . 2 PRO CG 1 1
6 1101 1 1 3 PRO HA H -6.871 -0.757 -4.080 1.00 . A A . 2 PRO HA 1 1
6 1102 1 1 3 PRO HB2 H -7.924 1.765 -4.301 1.00 . A A . 2 PRO HB2 1 1
6 1103 1 1 3 PRO HB3 H -8.901 0.311 -4.573 1.00 . A A . 2 PRO HB3 1 1
6 1104 1 1 3 PRO HD2 H -9.198 0.052 -0.702 1.00 . A A . 2 PRO HD2 1 1
6 1105 1 1 3 PRO HD3 H -10.057 -0.778 -2.035 1.00 . A A . 2 PRO HD3 1 1
6 1106 1 1 3 PRO HG2 H -8.725 1.970 -2.006 1.00 . A A . 2 PRO HG2 1 1
6 1107 1 1 3 PRO HG3 H -10.201 1.485 -2.858 1.00 . A A . 2 PRO HG3 1 1
6 1108 1 1 3 PRO N N -7.928 -0.828 -2.218 1.00 . A A . 2 PRO N 1 1
6 1109 1 1 3 PRO O O -4.929 0.814 -3.539 1.00 . A A . 2 PRO O 1 1
6 1110 1 1 4 LEU C C -3.691 0.733 -0.278 1.00 . A A . 3 LEU C 1 1
6 1111 1 1 4 LEU CA C -4.709 1.779 -0.872 1.00 . A A . 3 LEU CA 1 1
6 1112 1 1 4 LEU CB C -5.226 2.773 0.213 1.00 . A A . 3 LEU CB 1 1
6 1113 1 1 4 LEU CD1 C -7.671 3.523 0.277 1.00 . A A . 3 LEU CD1 1 1
6 1114 1 1 4 LEU CD2 C -5.854 5.268 0.249 1.00 . A A . 3 LEU CD2 1 1
6 1115 1 1 4 LEU CG C -6.254 3.863 -0.226 1.00 . A A . 3 LEU CG 1 1
6 1116 1 1 4 LEU H H -6.749 0.929 -1.025 1.00 . A A . 3 LEU H 1 1
6 1117 1 1 4 LEU HA H -4.140 2.375 -1.615 1.00 . A A . 3 LEU HA 1 1
6 1118 1 1 4 LEU HB2 H -5.630 2.193 1.066 1.00 . A A . 3 LEU HB2 1 1
6 1119 1 1 4 LEU HB3 H -4.337 3.263 0.652 1.00 . A A . 3 LEU HB3 1 1
6 1120 1 1 4 LEU HD11 H -7.955 2.483 0.043 1.00 . A A . 3 LEU HD11 1 1
6 1121 1 1 4 LEU HD12 H -7.763 3.635 1.374 1.00 . A A . 3 LEU HD12 1 1
6 1122 1 1 4 LEU HD13 H -8.435 4.174 -0.188 1.00 . A A . 3 LEU HD13 1 1
6 1123 1 1 4 LEU HD21 H -4.995 5.652 -0.332 1.00 . A A . 3 LEU HD21 1 1
6 1124 1 1 4 LEU HD22 H -6.672 6.001 0.124 1.00 . A A . 3 LEU HD22 1 1
6 1125 1 1 4 LEU HD23 H -5.562 5.281 1.316 1.00 . A A . 3 LEU HD23 1 1
6 1126 1 1 4 LEU HG H -6.295 3.898 -1.335 1.00 . A A . 3 LEU HG 1 1
6 1127 1 1 4 LEU N N -5.897 1.175 -1.536 1.00 . A A . 3 LEU N 1 1
6 1128 1 1 4 LEU O O -3.073 0.963 0.768 1.00 . A A . 3 LEU O 1 1
6 1129 1 1 5 ASP C C -0.872 -0.689 -1.231 1.00 . A A . 4 ASP C 1 1
6 1130 1 1 5 ASP CA C -2.265 -1.266 -0.759 1.00 . A A . 4 ASP CA 1 1
6 1131 1 1 5 ASP CB C -2.632 -2.626 -1.420 1.00 . A A . 4 ASP CB 1 1
6 1132 1 1 5 ASP CG C -1.960 -3.832 -0.764 1.00 . A A . 4 ASP CG 1 1
6 1133 1 1 5 ASP H H -3.962 -0.413 -1.886 1.00 . A A . 4 ASP H 1 1
6 1134 1 1 5 ASP HA H -2.184 -1.429 0.334 1.00 . A A . 4 ASP HA 1 1
6 1135 1 1 5 ASP HB2 H -3.719 -2.831 -1.370 1.00 . A A . 4 ASP HB2 1 1
6 1136 1 1 5 ASP HB3 H -2.402 -2.613 -2.502 1.00 . A A . 4 ASP HB3 1 1
6 1137 1 1 5 ASP N N -3.435 -0.372 -1.003 1.00 . A A . 4 ASP N 1 1
6 1138 1 1 5 ASP O O 0.177 -1.223 -0.875 1.00 . A A . 4 ASP O 1 1
6 1139 1 1 5 ASP OD1 O -2.408 -4.248 0.331 1.00 . A A . 4 ASP OD1 1 1
6 1140 1 1 5 ASP OD2 O -0.987 -4.368 -1.334 1.00 . A A . 4 ASP OD2 1 1
6 1141 1 1 6 THR C C 0.638 2.538 -2.010 1.00 . A A . 5 THR C 1 1
6 1142 1 1 6 THR CA C 0.353 1.081 -2.559 1.00 . A A . 5 THR CA 1 1
6 1143 1 1 6 THR CB C 0.382 0.960 -4.131 1.00 . A A . 5 THR CB 1 1
6 1144 1 1 6 THR CG2 C -0.404 -0.192 -4.800 1.00 . A A . 5 THR CG2 1 1
6 1145 1 1 6 THR H H -1.813 0.716 -2.262 1.00 . A A . 5 THR H 1 1
6 1146 1 1 6 THR HA H 1.226 0.521 -2.195 1.00 . A A . 5 THR HA 1 1
6 1147 1 1 6 THR HB H 1.443 0.828 -4.419 1.00 . A A . 5 THR HB 1 1
6 1148 1 1 6 THR HG1 H 0.642 2.535 -5.222 1.00 . A A . 5 THR HG1 1 1
6 1149 1 1 6 THR HG21 H -0.197 -0.277 -5.881 1.00 . A A . 5 THR HG21 1 1
6 1150 1 1 6 THR HG22 H -0.191 -1.170 -4.331 1.00 . A A . 5 THR HG22 1 1
6 1151 1 1 6 THR HG23 H -1.496 -0.025 -4.698 1.00 . A A . 5 THR HG23 1 1
6 1152 1 1 6 THR N N -0.869 0.419 -2.000 1.00 . A A . 5 THR N 1 1
6 1153 1 1 6 THR O O 1.563 3.214 -2.463 1.00 . A A . 5 THR O 1 1
6 1154 1 1 6 THR OG1 O -0.102 2.146 -4.755 1.00 . A A . 5 THR OG1 1 1
6 1155 1 1 7 VAL C C 0.727 4.167 1.030 1.00 . A A . 6 VAL C 1 1
6 1156 1 1 7 VAL CA C -0.018 4.321 -0.335 1.00 . A A . 6 VAL CA 1 1
6 1157 1 1 7 VAL CB C -1.463 4.959 -0.272 1.00 . A A . 6 VAL CB 1 1
6 1158 1 1 7 VAL CG1 C -1.789 5.845 0.956 1.00 . A A . 6 VAL CG1 1 1
6 1159 1 1 7 VAL CG2 C -1.758 5.778 -1.546 1.00 . A A . 6 VAL CG2 1 1
6 1160 1 1 7 VAL H H -0.827 2.287 -0.731 1.00 . A A . 6 VAL H 1 1
6 1161 1 1 7 VAL HA H 0.633 4.992 -0.932 1.00 . A A . 6 VAL HA 1 1
6 1162 1 1 7 VAL HB H -2.218 4.147 -0.231 1.00 . A A . 6 VAL HB 1 1
6 1163 1 1 7 VAL HG11 H -1.045 6.649 1.105 1.00 . A A . 6 VAL HG11 1 1
6 1164 1 1 7 VAL HG12 H -2.786 6.317 0.886 1.00 . A A . 6 VAL HG12 1 1
6 1165 1 1 7 VAL HG13 H -1.808 5.247 1.887 1.00 . A A . 6 VAL HG13 1 1
6 1166 1 1 7 VAL HG21 H -1.034 6.604 -1.681 1.00 . A A . 6 VAL HG21 1 1
6 1167 1 1 7 VAL HG22 H -1.705 5.148 -2.453 1.00 . A A . 6 VAL HG22 1 1
6 1168 1 1 7 VAL HG23 H -2.768 6.229 -1.532 1.00 . A A . 6 VAL HG23 1 1
6 1169 1 1 7 VAL N N -0.143 2.995 -1.016 1.00 . A A . 6 VAL N 1 1
6 1170 1 1 7 VAL O O 1.753 4.815 1.253 1.00 . A A . 6 VAL O 1 1
6 1171 1 1 8 GLN C C 2.170 2.087 3.090 1.00 . A A . 7 GLN C 1 1
6 1172 1 1 8 GLN CA C 0.896 2.981 3.214 1.00 . A A . 7 GLN CA 1 1
6 1173 1 1 8 GLN CB C -0.161 2.352 4.173 1.00 . A A . 7 GLN CB 1 1
6 1174 1 1 8 GLN CD C -1.128 2.709 6.538 1.00 . A A . 7 GLN CD 1 1
6 1175 1 1 8 GLN CG C -0.742 3.354 5.205 1.00 . A A . 7 GLN CG 1 1
6 1176 1 1 8 GLN H H -0.582 2.775 1.581 1.00 . A A . 7 GLN H 1 1
6 1177 1 1 8 GLN HA H 1.276 3.922 3.660 1.00 . A A . 7 GLN HA 1 1
6 1178 1 1 8 GLN HB2 H -0.993 1.865 3.622 1.00 . A A . 7 GLN HB2 1 1
6 1179 1 1 8 GLN HB3 H 0.296 1.500 4.718 1.00 . A A . 7 GLN HB3 1 1
6 1180 1 1 8 GLN HE21 H -3.024 3.297 6.361 1.00 . A A . 7 GLN HE21 1 1
6 1181 1 1 8 GLN HE22 H -2.507 2.386 7.879 1.00 . A A . 7 GLN HE22 1 1
6 1182 1 1 8 GLN HG2 H 0.006 4.127 5.457 1.00 . A A . 7 GLN HG2 1 1
6 1183 1 1 8 GLN HG3 H -1.583 3.915 4.753 1.00 . A A . 7 GLN HG3 1 1
6 1184 1 1 8 GLN N N 0.208 3.322 1.939 1.00 . A A . 7 GLN N 1 1
6 1185 1 1 8 GLN NE2 N -2.373 2.758 6.935 1.00 . A A . 7 GLN NE2 1 1
6 1186 1 1 8 GLN O O 3.085 2.210 3.907 1.00 . A A . 7 GLN O 1 1
6 1187 1 1 8 GLN OE1 O -0.297 2.162 7.257 1.00 . A A . 7 GLN OE1 1 1
6 1188 1 1 9 ARG C C 3.326 -0.340 0.484 1.00 . A A . 8 ARG C 1 1
6 1189 1 1 9 ARG CA C 3.301 0.182 1.962 1.00 . A A . 8 ARG CA 1 1
6 1190 1 1 9 ARG CB C 3.186 -0.924 3.052 1.00 . A A . 8 ARG CB 1 1
6 1191 1 1 9 ARG CD C 2.164 -3.250 2.824 1.00 . A A . 8 ARG CD 1 1
6 1192 1 1 9 ARG CG C 1.875 -1.766 3.072 1.00 . A A . 8 ARG CG 1 1
6 1193 1 1 9 ARG CZ C 0.940 -5.345 3.411 1.00 . A A . 8 ARG CZ 1 1
6 1194 1 1 9 ARG H H 1.416 1.218 1.465 1.00 . A A . 8 ARG H 1 1
6 1195 1 1 9 ARG HA H 4.270 0.684 2.146 1.00 . A A . 8 ARG HA 1 1
6 1196 1 1 9 ARG HB2 H 4.082 -1.569 2.965 1.00 . A A . 8 ARG HB2 1 1
6 1197 1 1 9 ARG HB3 H 3.313 -0.451 4.045 1.00 . A A . 8 ARG HB3 1 1
6 1198 1 1 9 ARG HD2 H 2.533 -3.392 1.786 1.00 . A A . 8 ARG HD2 1 1
6 1199 1 1 9 ARG HD3 H 2.991 -3.556 3.496 1.00 . A A . 8 ARG HD3 1 1
6 1200 1 1 9 ARG HE H 0.014 -3.671 2.850 1.00 . A A . 8 ARG HE 1 1
6 1201 1 1 9 ARG HG2 H 1.356 -1.615 4.039 1.00 . A A . 8 ARG HG2 1 1
6 1202 1 1 9 ARG HG3 H 1.159 -1.402 2.307 1.00 . A A . 8 ARG HG3 1 1
6 1203 1 1 9 ARG HH11 H -0.179 -6.910 3.884 1.00 . A A . 8 ARG HH11 1 1
6 1204 1 1 9 ARG HH12 H -1.034 -5.375 3.387 1.00 . A A . 8 ARG HH12 1 1
6 1205 1 1 9 ARG HH21 H 1.961 -7.024 3.875 1.00 . A A . 8 ARG HH21 1 1
6 1206 1 1 9 ARG HH22 H 2.884 -5.521 3.383 1.00 . A A . 8 ARG HH22 1 1
6 1207 1 1 9 ARG N N 2.203 1.162 2.118 1.00 . A A . 8 ARG N 1 1
6 1208 1 1 9 ARG NE N 0.942 -4.066 3.039 1.00 . A A . 8 ARG NE 1 1
6 1209 1 1 9 ARG NH1 N -0.203 -5.930 3.599 1.00 . A A . 8 ARG NH1 1 1
6 1210 1 1 9 ARG NH2 N 2.033 -6.044 3.599 1.00 . A A . 8 ARG NH2 1 1
6 1211 1 1 9 ARG O O 2.841 -1.449 0.239 1.00 . A A . 8 ARG O 1 1
6 1212 1 1 10 PRO C C 4.947 -1.371 -2.081 1.00 . A A . 9 PRO C 1 1
6 1213 1 1 10 PRO CA C 3.969 -0.173 -1.924 1.00 . A A . 9 PRO CA 1 1
6 1214 1 1 10 PRO CB C 4.371 1.098 -2.707 1.00 . A A . 9 PRO CB 1 1
6 1215 1 1 10 PRO CD C 4.486 1.713 -0.389 1.00 . A A . 9 PRO CD 1 1
6 1216 1 1 10 PRO CG C 5.208 1.914 -1.720 1.00 . A A . 9 PRO CG 1 1
6 1217 1 1 10 PRO HA H 2.985 -0.541 -2.259 1.00 . A A . 9 PRO HA 1 1
6 1218 1 1 10 PRO HB2 H 4.913 0.896 -3.650 1.00 . A A . 9 PRO HB2 1 1
6 1219 1 1 10 PRO HB3 H 3.469 1.671 -2.995 1.00 . A A . 9 PRO HB3 1 1
6 1220 1 1 10 PRO HD2 H 5.199 1.777 0.454 1.00 . A A . 9 PRO HD2 1 1
6 1221 1 1 10 PRO HD3 H 3.703 2.482 -0.235 1.00 . A A . 9 PRO HD3 1 1
6 1222 1 1 10 PRO HG2 H 6.236 1.504 -1.664 1.00 . A A . 9 PRO HG2 1 1
6 1223 1 1 10 PRO HG3 H 5.296 2.979 -2.004 1.00 . A A . 9 PRO HG3 1 1
6 1224 1 1 10 PRO N N 3.879 0.373 -0.541 1.00 . A A . 9 PRO N 1 1
6 1225 1 1 10 PRO O O 5.638 -1.794 -1.143 1.00 . A A . 9 PRO O 1 1
6 1226 1 1 11 LYS C C 7.615 -2.199 -3.828 1.00 . A A . 10 LYS C 1 1
6 1227 1 1 11 LYS CA C 6.170 -2.817 -3.675 1.00 . A A . 10 LYS CA 1 1
6 1228 1 1 11 LYS CB C 5.690 -3.659 -4.899 1.00 . A A . 10 LYS CB 1 1
6 1229 1 1 11 LYS CD C 5.635 -6.133 -5.725 1.00 . A A . 10 LYS CD 1 1
6 1230 1 1 11 LYS CE C 4.367 -6.856 -6.218 1.00 . A A . 10 LYS CE 1 1
6 1231 1 1 11 LYS CG C 5.459 -5.146 -4.544 1.00 . A A . 10 LYS CG 1 1
6 1232 1 1 11 LYS H H 4.521 -1.375 -4.027 1.00 . A A . 10 LYS H 1 1
6 1233 1 1 11 LYS HA H 6.294 -3.505 -2.813 1.00 . A A . 10 LYS HA 1 1
6 1234 1 1 11 LYS HB2 H 4.766 -3.257 -5.364 1.00 . A A . 10 LYS HB2 1 1
6 1235 1 1 11 LYS HB3 H 6.428 -3.573 -5.718 1.00 . A A . 10 LYS HB3 1 1
6 1236 1 1 11 LYS HD2 H 6.101 -5.615 -6.589 1.00 . A A . 10 LYS HD2 1 1
6 1237 1 1 11 LYS HD3 H 6.406 -6.880 -5.449 1.00 . A A . 10 LYS HD3 1 1
6 1238 1 1 11 LYS HE2 H 3.657 -6.118 -6.651 1.00 . A A . 10 LYS HE2 1 1
6 1239 1 1 11 LYS HE3 H 4.643 -7.518 -7.070 1.00 . A A . 10 LYS HE3 1 1
6 1240 1 1 11 LYS HG2 H 6.169 -5.461 -3.752 1.00 . A A . 10 LYS HG2 1 1
6 1241 1 1 11 LYS HG3 H 4.468 -5.233 -4.058 1.00 . A A . 10 LYS HG3 1 1
6 1242 1 1 11 LYS HZ1 H 4.389 -8.306 -4.684 1.00 . A A . 10 LYS HZ1 1 1
6 1243 1 1 11 LYS HZ2 H 3.407 -7.042 -4.360 1.00 . A A . 10 LYS HZ2 1 1
6 1244 1 1 11 LYS HZ3 H 2.914 -8.195 -5.421 1.00 . A A . 10 LYS HZ3 1 1
6 1245 1 1 11 LYS N N 5.074 -1.871 -3.319 1.00 . A A . 10 LYS N 1 1
6 1246 1 1 11 LYS NZ N 3.733 -7.648 -5.125 1.00 . A A . 10 LYS NZ 1 1
6 1247 1 1 11 LYS O O 8.432 -2.675 -4.620 1.00 . A A . 10 LYS O 1 1
6 1248 1 1 12 GLY C C 9.813 -0.647 -1.286 1.00 . A A . 11 GLY C 1 1
6 1249 1 1 12 GLY CA C 9.340 -0.731 -2.763 1.00 . A A . 11 GLY CA 1 1
6 1250 1 1 12 GLY H H 7.181 -0.989 -2.338 1.00 . A A . 11 GLY H 1 1
6 1251 1 1 12 GLY HA2 H 10.079 -1.340 -3.318 1.00 . A A . 11 GLY HA2 1 1
6 1252 1 1 12 GLY HA3 H 9.430 0.282 -3.196 1.00 . A A . 11 GLY HA3 1 1
6 1253 1 1 12 GLY N N 7.947 -1.202 -2.993 1.00 . A A . 11 GLY N 1 1
6 1254 1 1 12 GLY O O 10.783 0.060 -1.017 1.00 . A A . 11 GLY O 1 1
6 1255 1 1 13 TYR C C 9.729 -2.885 1.559 1.00 . A A . 12 TYR C 1 1
6 1256 1 1 13 TYR CA C 9.554 -1.407 1.088 1.00 . A A . 12 TYR CA 1 1
6 1257 1 1 13 TYR CB C 8.551 -0.567 1.955 1.00 . A A . 12 TYR CB 1 1
6 1258 1 1 13 TYR CD1 C 10.262 1.052 2.955 1.00 . A A . 12 TYR CD1 1 1
6 1259 1 1 13 TYR CD2 C 8.097 1.912 2.322 1.00 . A A . 12 TYR CD2 1 1
6 1260 1 1 13 TYR CE1 C 10.635 2.320 3.396 1.00 . A A . 12 TYR CE1 1 1
6 1261 1 1 13 TYR CE2 C 8.467 3.179 2.781 1.00 . A A . 12 TYR CE2 1 1
6 1262 1 1 13 TYR CG C 8.995 0.844 2.389 1.00 . A A . 12 TYR CG 1 1
6 1263 1 1 13 TYR CZ C 9.742 3.376 3.310 1.00 . A A . 12 TYR CZ 1 1
6 1264 1 1 13 TYR H H 8.374 -1.899 -0.721 1.00 . A A . 12 TYR H 1 1
6 1265 1 1 13 TYR HA H 10.571 -0.982 1.198 1.00 . A A . 12 TYR HA 1 1
6 1266 1 1 13 TYR HB2 H 7.565 -0.521 1.448 1.00 . A A . 12 TYR HB2 1 1
6 1267 1 1 13 TYR HB3 H 8.318 -1.105 2.893 1.00 . A A . 12 TYR HB3 1 1
6 1268 1 1 13 TYR HD1 H 10.962 0.238 3.061 1.00 . A A . 12 TYR HD1 1 1
6 1269 1 1 13 TYR HD2 H 7.097 1.768 1.938 1.00 . A A . 12 TYR HD2 1 1
6 1270 1 1 13 TYR HE1 H 11.621 2.475 3.812 1.00 . A A . 12 TYR HE1 1 1
6 1271 1 1 13 TYR HE2 H 7.761 3.992 2.737 1.00 . A A . 12 TYR HE2 1 1
6 1272 1 1 13 TYR HH H 9.396 5.229 3.628 1.00 . A A . 12 TYR HH 1 1
6 1273 1 1 13 TYR N N 9.164 -1.364 -0.347 1.00 . A A . 12 TYR N 1 1
6 1274 1 1 13 TYR O O 10.841 -3.366 1.753 1.00 . A A . 12 TYR O 1 1
6 1275 1 1 13 TYR OH O 10.119 4.614 3.760 1.00 . A A . 12 TYR OH 1 1
6 1276 1 1 14 NH2 HN1 H 8.937 -4.588 2.156 1.00 . A A . 13 NH2 HN1 1 1
6 1277 1 1 14 NH2 HN2 H 7.758 -3.247 1.691 1.00 . A A . 13 NH2 HN2 1 1
6 1278 1 1 14 NH2 N N 8.687 -3.667 1.783 1.00 . A A . 13 NH2 N 1 1
7 1279 1 1 1 ACE C C -8.701 -5.002 -0.339 1.00 . A A . 0 ACE C 1 1
7 1280 1 1 1 ACE CH3 C -8.289 -6.462 -0.321 1.00 . A A . 0 ACE CH3 1 1
7 1281 1 1 1 ACE H1 H -7.249 -6.637 -0.650 1.00 . A A . 0 ACE H1 1 1
7 1282 1 1 1 ACE H2 H -8.401 -6.870 0.699 1.00 . A A . 0 ACE H2 1 1
7 1283 1 1 1 ACE H3 H -8.951 -7.046 -0.984 1.00 . A A . 0 ACE H3 1 1
7 1284 1 1 1 ACE O O -9.886 -4.700 -0.219 1.00 . A A . 0 ACE O 1 1
7 1285 1 1 2 ARG C C -7.318 -1.915 -1.637 1.00 . A A . 1 ARG C 1 1
7 1286 1 1 2 ARG CA C -7.953 -2.634 -0.398 1.00 . A A . 1 ARG CA 1 1
7 1287 1 1 2 ARG CB C -7.423 -2.032 0.941 1.00 . A A . 1 ARG CB 1 1
7 1288 1 1 2 ARG CD C -7.682 -2.036 3.560 1.00 . A A . 1 ARG CD 1 1
7 1289 1 1 2 ARG CG C -8.158 -2.575 2.191 1.00 . A A . 1 ARG CG 1 1
7 1290 1 1 2 ARG CZ C -6.872 -4.129 4.711 1.00 . A A . 1 ARG CZ 1 1
7 1291 1 1 2 ARG H H -6.779 -4.510 -0.552 1.00 . A A . 1 ARG H 1 1
7 1292 1 1 2 ARG HA H -9.042 -2.441 -0.434 1.00 . A A . 1 ARG HA 1 1
7 1293 1 1 2 ARG HB2 H -6.330 -2.195 1.028 1.00 . A A . 1 ARG HB2 1 1
7 1294 1 1 2 ARG HB3 H -7.542 -0.931 0.920 1.00 . A A . 1 ARG HB3 1 1
7 1295 1 1 2 ARG HD2 H -7.284 -1.007 3.444 1.00 . A A . 1 ARG HD2 1 1
7 1296 1 1 2 ARG HD3 H -8.552 -1.899 4.235 1.00 . A A . 1 ARG HD3 1 1
7 1297 1 1 2 ARG HE H -5.697 -2.564 4.350 1.00 . A A . 1 ARG HE 1 1
7 1298 1 1 2 ARG HG2 H -9.242 -2.380 2.079 1.00 . A A . 1 ARG HG2 1 1
7 1299 1 1 2 ARG HG3 H -8.083 -3.678 2.169 1.00 . A A . 1 ARG HG3 1 1
7 1300 1 1 2 ARG HH11 H -6.074 -5.699 5.620 1.00 . A A . 1 ARG HH11 1 1
7 1301 1 1 2 ARG HH12 H -4.991 -4.263 5.328 1.00 . A A . 1 ARG HH12 1 1
7 1302 1 1 2 ARG HH21 H -8.108 -5.701 4.986 1.00 . A A . 1 ARG HH21 1 1
7 1303 1 1 2 ARG HH22 H -8.747 -4.195 4.163 1.00 . A A . 1 ARG HH22 1 1
7 1304 1 1 2 ARG N N -7.715 -4.109 -0.441 1.00 . A A . 1 ARG N 1 1
7 1305 1 1 2 ARG NE N -6.657 -2.901 4.221 1.00 . A A . 1 ARG NE 1 1
7 1306 1 1 2 ARG NH1 N -5.882 -4.757 5.272 1.00 . A A . 1 ARG NH1 1 1
7 1307 1 1 2 ARG NH2 N -8.028 -4.743 4.644 1.00 . A A . 1 ARG NH2 1 1
7 1308 1 1 2 ARG O O -6.222 -2.308 -2.055 1.00 . A A . 1 ARG O 1 1
7 1309 1 1 3 PRO C C -5.941 0.768 -2.805 1.00 . A A . 2 PRO C 1 1
7 1310 1 1 3 PRO CA C -7.214 -0.021 -3.279 1.00 . A A . 2 PRO CA 1 1
7 1311 1 1 3 PRO CB C -8.367 0.875 -3.770 1.00 . A A . 2 PRO CB 1 1
7 1312 1 1 3 PRO CD C -9.166 -0.203 -1.760 1.00 . A A . 2 PRO CD 1 1
7 1313 1 1 3 PRO CG C -9.226 1.121 -2.527 1.00 . A A . 2 PRO CG 1 1
7 1314 1 1 3 PRO HA H -6.896 -0.683 -4.109 1.00 . A A . 2 PRO HA 1 1
7 1315 1 1 3 PRO HB2 H -8.021 1.812 -4.247 1.00 . A A . 2 PRO HB2 1 1
7 1316 1 1 3 PRO HB3 H -8.963 0.338 -4.535 1.00 . A A . 2 PRO HB3 1 1
7 1317 1 1 3 PRO HD2 H -9.173 -0.021 -0.667 1.00 . A A . 2 PRO HD2 1 1
7 1318 1 1 3 PRO HD3 H -10.036 -0.844 -2.000 1.00 . A A . 2 PRO HD3 1 1
7 1319 1 1 3 PRO HG2 H -8.780 1.938 -1.932 1.00 . A A . 2 PRO HG2 1 1
7 1320 1 1 3 PRO HG3 H -10.259 1.434 -2.766 1.00 . A A . 2 PRO HG3 1 1
7 1321 1 1 3 PRO N N -7.909 -0.829 -2.229 1.00 . A A . 2 PRO N 1 1
7 1322 1 1 3 PRO O O -4.976 0.904 -3.559 1.00 . A A . 2 PRO O 1 1
7 1323 1 1 4 LEU C C -3.710 0.764 -0.290 1.00 . A A . 3 LEU C 1 1
7 1324 1 1 4 LEU CA C -4.728 1.814 -0.878 1.00 . A A . 3 LEU CA 1 1
7 1325 1 1 4 LEU CB C -5.244 2.798 0.215 1.00 . A A . 3 LEU CB 1 1
7 1326 1 1 4 LEU CD1 C -7.631 3.713 0.328 1.00 . A A . 3 LEU CD1 1 1
7 1327 1 1 4 LEU CD2 C -5.705 5.326 0.199 1.00 . A A . 3 LEU CD2 1 1
7 1328 1 1 4 LEU CG C -6.213 3.941 -0.228 1.00 . A A . 3 LEU CG 1 1
7 1329 1 1 4 LEU H H -6.760 0.945 -1.017 1.00 . A A . 3 LEU H 1 1
7 1330 1 1 4 LEU HA H -4.160 2.413 -1.617 1.00 . A A . 3 LEU HA 1 1
7 1331 1 1 4 LEU HB2 H -5.697 2.208 1.036 1.00 . A A . 3 LEU HB2 1 1
7 1332 1 1 4 LEU HB3 H -4.355 3.242 0.702 1.00 . A A . 3 LEU HB3 1 1
7 1333 1 1 4 LEU HD11 H -8.335 4.501 0.001 1.00 . A A . 3 LEU HD11 1 1
7 1334 1 1 4 LEU HD12 H -8.052 2.751 -0.011 1.00 . A A . 3 LEU HD12 1 1
7 1335 1 1 4 LEU HD13 H -7.646 3.695 1.433 1.00 . A A . 3 LEU HD13 1 1
7 1336 1 1 4 LEU HD21 H -5.468 5.369 1.278 1.00 . A A . 3 LEU HD21 1 1
7 1337 1 1 4 LEU HD22 H -4.788 5.598 -0.352 1.00 . A A . 3 LEU HD22 1 1
7 1338 1 1 4 LEU HD23 H -6.445 6.122 -0.008 1.00 . A A . 3 LEU HD23 1 1
7 1339 1 1 4 LEU HG H -6.287 3.954 -1.336 1.00 . A A . 3 LEU HG 1 1
7 1340 1 1 4 LEU N N -5.922 1.220 -1.538 1.00 . A A . 3 LEU N 1 1
7 1341 1 1 4 LEU O O -3.084 0.997 0.750 1.00 . A A . 3 LEU O 1 1
7 1342 1 1 5 ASP C C -0.894 -0.678 -1.256 1.00 . A A . 4 ASP C 1 1
7 1343 1 1 5 ASP CA C -2.284 -1.240 -0.758 1.00 . A A . 4 ASP CA 1 1
7 1344 1 1 5 ASP CB C -2.658 -2.614 -1.384 1.00 . A A . 4 ASP CB 1 1
7 1345 1 1 5 ASP CG C -1.922 -3.829 -0.809 1.00 . A A . 4 ASP CG 1 1
7 1346 1 1 5 ASP H H -3.992 -0.403 -1.885 1.00 . A A . 4 ASP H 1 1
7 1347 1 1 5 ASP HA H -2.190 -1.382 0.336 1.00 . A A . 4 ASP HA 1 1
7 1348 1 1 5 ASP HB2 H -3.732 -2.840 -1.248 1.00 . A A . 4 ASP HB2 1 1
7 1349 1 1 5 ASP HB3 H -2.515 -2.586 -2.481 1.00 . A A . 4 ASP HB3 1 1
7 1350 1 1 5 ASP N N -3.456 -0.347 -1.010 1.00 . A A . 4 ASP N 1 1
7 1351 1 1 5 ASP O O 0.154 -1.239 -0.938 1.00 . A A . 4 ASP O 1 1
7 1352 1 1 5 ASP OD1 O -1.534 -4.712 -1.602 1.00 . A A . 4 ASP OD1 1 1
7 1353 1 1 5 ASP OD2 O -1.765 -3.931 0.432 1.00 . A A . 4 ASP OD2 1 1
7 1354 1 1 6 THR C C 0.599 2.569 -2.042 1.00 . A A . 5 THR C 1 1
7 1355 1 1 6 THR CA C 0.341 1.098 -2.563 1.00 . A A . 5 THR CA 1 1
7 1356 1 1 6 THR CB C 0.414 0.941 -4.133 1.00 . A A . 5 THR CB 1 1
7 1357 1 1 6 THR CG2 C -0.427 -0.166 -4.809 1.00 . A A . 5 THR CG2 1 1
7 1358 1 1 6 THR H H -1.832 0.753 -2.252 1.00 . A A . 5 THR H 1 1
7 1359 1 1 6 THR HA H 1.212 0.558 -2.165 1.00 . A A . 5 THR HA 1 1
7 1360 1 1 6 THR HB H 1.471 0.724 -4.382 1.00 . A A . 5 THR HB 1 1
7 1361 1 1 6 THR HG1 H 0.654 2.832 -4.453 1.00 . A A . 5 THR HG1 1 1
7 1362 1 1 6 THR HG21 H -1.507 0.075 -4.756 1.00 . A A . 5 THR HG21 1 1
7 1363 1 1 6 THR HG22 H -0.179 -0.293 -5.877 1.00 . A A . 5 THR HG22 1 1
7 1364 1 1 6 THR HG23 H -0.298 -1.146 -4.312 1.00 . A A . 5 THR HG23 1 1
7 1365 1 1 6 THR N N -0.887 0.442 -2.008 1.00 . A A . 5 THR N 1 1
7 1366 1 1 6 THR O O 1.436 3.287 -2.596 1.00 . A A . 5 THR O 1 1
7 1367 1 1 6 THR OG1 O 0.065 2.152 -4.802 1.00 . A A . 5 THR OG1 1 1
7 1368 1 1 7 VAL C C 0.736 4.184 1.050 1.00 . A A . 6 VAL C 1 1
7 1369 1 1 7 VAL CA C -0.003 4.330 -0.322 1.00 . A A . 6 VAL CA 1 1
7 1370 1 1 7 VAL CB C -1.453 4.960 -0.272 1.00 . A A . 6 VAL CB 1 1
7 1371 1 1 7 VAL CG1 C -1.805 5.827 0.963 1.00 . A A . 6 VAL CG1 1 1
7 1372 1 1 7 VAL CG2 C -1.739 5.792 -1.539 1.00 . A A . 6 VAL CG2 1 1
7 1373 1 1 7 VAL H H -0.775 2.274 -0.677 1.00 . A A . 6 VAL H 1 1
7 1374 1 1 7 VAL HA H 0.648 5.002 -0.918 1.00 . A A . 6 VAL HA 1 1
7 1375 1 1 7 VAL HB H -2.204 4.141 -0.256 1.00 . A A . 6 VAL HB 1 1
7 1376 1 1 7 VAL HG11 H -1.027 6.584 1.178 1.00 . A A . 6 VAL HG11 1 1
7 1377 1 1 7 VAL HG12 H -2.768 6.360 0.856 1.00 . A A . 6 VAL HG12 1 1
7 1378 1 1 7 VAL HG13 H -1.905 5.204 1.872 1.00 . A A . 6 VAL HG13 1 1
7 1379 1 1 7 VAL HG21 H -2.800 6.093 -1.607 1.00 . A A . 6 VAL HG21 1 1
7 1380 1 1 7 VAL HG22 H -1.133 6.718 -1.567 1.00 . A A . 6 VAL HG22 1 1
7 1381 1 1 7 VAL HG23 H -1.511 5.226 -2.461 1.00 . A A . 6 VAL HG23 1 1
7 1382 1 1 7 VAL N N -0.113 2.994 -0.988 1.00 . A A . 6 VAL N 1 1
7 1383 1 1 7 VAL O O 1.760 4.829 1.284 1.00 . A A . 6 VAL O 1 1
7 1384 1 1 8 GLN C C 2.135 2.068 3.115 1.00 . A A . 7 GLN C 1 1
7 1385 1 1 8 GLN CA C 0.865 2.970 3.231 1.00 . A A . 7 GLN CA 1 1
7 1386 1 1 8 GLN CB C -0.253 2.336 4.119 1.00 . A A . 7 GLN CB 1 1
7 1387 1 1 8 GLN CD C -0.111 3.185 6.566 1.00 . A A . 7 GLN CD 1 1
7 1388 1 1 8 GLN CG C -0.807 3.300 5.201 1.00 . A A . 7 GLN CG 1 1
7 1389 1 1 8 GLN H H -0.589 2.806 1.579 1.00 . A A . 7 GLN H 1 1
7 1390 1 1 8 GLN HA H 1.233 3.899 3.714 1.00 . A A . 7 GLN HA 1 1
7 1391 1 1 8 GLN HB2 H -1.103 1.957 3.514 1.00 . A A . 7 GLN HB2 1 1
7 1392 1 1 8 GLN HB3 H 0.108 1.407 4.606 1.00 . A A . 7 GLN HB3 1 1
7 1393 1 1 8 GLN HE21 H -1.797 3.708 7.497 1.00 . A A . 7 GLN HE21 1 1
7 1394 1 1 8 GLN HE22 H -0.315 3.284 8.513 1.00 . A A . 7 GLN HE22 1 1
7 1395 1 1 8 GLN HG2 H -0.738 4.351 4.862 1.00 . A A . 7 GLN HG2 1 1
7 1396 1 1 8 GLN HG3 H -1.893 3.117 5.312 1.00 . A A . 7 GLN HG3 1 1
7 1397 1 1 8 GLN N N 0.206 3.337 1.948 1.00 . A A . 7 GLN N 1 1
7 1398 1 1 8 GLN NE2 N -0.825 3.426 7.636 1.00 . A A . 7 GLN NE2 1 1
7 1399 1 1 8 GLN O O 3.049 2.186 3.934 1.00 . A A . 7 GLN O 1 1
7 1400 1 1 8 GLN OE1 O 1.067 2.872 6.697 1.00 . A A . 7 GLN OE1 1 1
7 1401 1 1 9 ARG C C 3.299 -0.343 0.489 1.00 . A A . 8 ARG C 1 1
7 1402 1 1 9 ARG CA C 3.278 0.179 1.967 1.00 . A A . 8 ARG CA 1 1
7 1403 1 1 9 ARG CB C 3.176 -0.929 3.057 1.00 . A A . 8 ARG CB 1 1
7 1404 1 1 9 ARG CD C 2.150 -3.253 2.833 1.00 . A A . 8 ARG CD 1 1
7 1405 1 1 9 ARG CG C 1.866 -1.771 3.088 1.00 . A A . 8 ARG CG 1 1
7 1406 1 1 9 ARG CZ C 0.906 -5.387 3.149 1.00 . A A . 8 ARG CZ 1 1
7 1407 1 1 9 ARG H H 1.390 1.213 1.479 1.00 . A A . 8 ARG H 1 1
7 1408 1 1 9 ARG HA H 4.245 0.688 2.146 1.00 . A A . 8 ARG HA 1 1
7 1409 1 1 9 ARG HB2 H 4.071 -1.574 2.961 1.00 . A A . 8 ARG HB2 1 1
7 1410 1 1 9 ARG HB3 H 3.312 -0.457 4.050 1.00 . A A . 8 ARG HB3 1 1
7 1411 1 1 9 ARG HD2 H 2.537 -3.381 1.800 1.00 . A A . 8 ARG HD2 1 1
7 1412 1 1 9 ARG HD3 H 2.956 -3.582 3.520 1.00 . A A . 8 ARG HD3 1 1
7 1413 1 1 9 ARG HE H -0.006 -3.625 2.984 1.00 . A A . 8 ARG HE 1 1
7 1414 1 1 9 ARG HG2 H 1.354 -1.620 4.060 1.00 . A A . 8 ARG HG2 1 1
7 1415 1 1 9 ARG HG3 H 1.144 -1.404 2.328 1.00 . A A . 8 ARG HG3 1 1
7 1416 1 1 9 ARG HH11 H -0.220 -6.987 3.464 1.00 . A A . 8 ARG HH11 1 1
7 1417 1 1 9 ARG HH12 H -1.055 -5.366 3.364 1.00 . A A . 8 ARG HH12 1 1
7 1418 1 1 9 ARG HH21 H 1.900 -7.143 3.160 1.00 . A A . 8 ARG HH21 1 1
7 1419 1 1 9 ARG HH22 H 2.822 -5.591 2.843 1.00 . A A . 8 ARG HH22 1 1
7 1420 1 1 9 ARG N N 2.176 1.154 2.133 1.00 . A A . 8 ARG N 1 1
7 1421 1 1 9 ARG NE N 0.921 -4.063 3.015 1.00 . A A . 8 ARG NE 1 1
7 1422 1 1 9 ARG NH1 N -0.233 -5.971 3.365 1.00 . A A . 8 ARG NH1 1 1
7 1423 1 1 9 ARG NH2 N 1.985 -6.129 3.075 1.00 . A A . 8 ARG NH2 1 1
7 1424 1 1 9 ARG O O 2.803 -1.447 0.243 1.00 . A A . 8 ARG O 1 1
7 1425 1 1 10 PRO C C 4.928 -1.392 -2.072 1.00 . A A . 9 PRO C 1 1
7 1426 1 1 10 PRO CA C 3.949 -0.189 -1.920 1.00 . A A . 9 PRO CA 1 1
7 1427 1 1 10 PRO CB C 4.345 1.083 -2.706 1.00 . A A . 9 PRO CB 1 1
7 1428 1 1 10 PRO CD C 4.474 1.700 -0.387 1.00 . A A . 9 PRO CD 1 1
7 1429 1 1 10 PRO CG C 5.184 1.903 -1.725 1.00 . A A . 9 PRO CG 1 1
7 1430 1 1 10 PRO HA H 2.961 -0.555 -2.253 1.00 . A A . 9 PRO HA 1 1
7 1431 1 1 10 PRO HB2 H 4.883 0.880 -3.650 1.00 . A A . 9 PRO HB2 1 1
7 1432 1 1 10 PRO HB3 H 3.441 1.656 -2.989 1.00 . A A . 9 PRO HB3 1 1
7 1433 1 1 10 PRO HD2 H 5.195 1.760 0.451 1.00 . A A . 9 PRO HD2 1 1
7 1434 1 1 10 PRO HD3 H 3.695 2.472 -0.224 1.00 . A A . 9 PRO HD3 1 1
7 1435 1 1 10 PRO HG2 H 6.215 1.498 -1.674 1.00 . A A . 9 PRO HG2 1 1
7 1436 1 1 10 PRO HG3 H 5.267 2.968 -2.009 1.00 . A A . 9 PRO HG3 1 1
7 1437 1 1 10 PRO N N 3.860 0.363 -0.538 1.00 . A A . 9 PRO N 1 1
7 1438 1 1 10 PRO O O 5.628 -1.800 -1.136 1.00 . A A . 9 PRO O 1 1
7 1439 1 1 11 LYS C C 7.583 -2.198 -3.842 1.00 . A A . 10 LYS C 1 1
7 1440 1 1 11 LYS CA C 6.156 -2.850 -3.660 1.00 . A A . 10 LYS CA 1 1
7 1441 1 1 11 LYS CB C 5.680 -3.691 -4.882 1.00 . A A . 10 LYS CB 1 1
7 1442 1 1 11 LYS CD C 5.256 -6.091 -5.658 1.00 . A A . 10 LYS CD 1 1
7 1443 1 1 11 LYS CE C 4.183 -7.199 -5.718 1.00 . A A . 10 LYS CE 1 1
7 1444 1 1 11 LYS CG C 5.044 -5.058 -4.527 1.00 . A A . 10 LYS CG 1 1
7 1445 1 1 11 LYS H H 4.489 -1.427 -4.013 1.00 . A A . 10 LYS H 1 1
7 1446 1 1 11 LYS HA H 6.305 -3.550 -2.813 1.00 . A A . 10 LYS HA 1 1
7 1447 1 1 11 LYS HB2 H 4.981 -3.120 -5.527 1.00 . A A . 10 LYS HB2 1 1
7 1448 1 1 11 LYS HB3 H 6.539 -3.865 -5.557 1.00 . A A . 10 LYS HB3 1 1
7 1449 1 1 11 LYS HD2 H 5.373 -5.568 -6.630 1.00 . A A . 10 LYS HD2 1 1
7 1450 1 1 11 LYS HD3 H 6.254 -6.553 -5.510 1.00 . A A . 10 LYS HD3 1 1
7 1451 1 1 11 LYS HE2 H 4.656 -8.193 -5.552 1.00 . A A . 10 LYS HE2 1 1
7 1452 1 1 11 LYS HE3 H 3.453 -7.107 -4.882 1.00 . A A . 10 LYS HE3 1 1
7 1453 1 1 11 LYS HG2 H 5.479 -5.471 -3.594 1.00 . A A . 10 LYS HG2 1 1
7 1454 1 1 11 LYS HG3 H 3.972 -4.902 -4.291 1.00 . A A . 10 LYS HG3 1 1
7 1455 1 1 11 LYS HZ1 H 3.097 -6.218 -7.223 1.00 . A A . 10 LYS HZ1 1 1
7 1456 1 1 11 LYS HZ2 H 4.132 -7.336 -7.818 1.00 . A A . 10 LYS HZ2 1 1
7 1457 1 1 11 LYS HZ3 H 2.713 -7.816 -7.129 1.00 . A A . 10 LYS HZ3 1 1
7 1458 1 1 11 LYS N N 5.046 -1.914 -3.303 1.00 . A A . 10 LYS N 1 1
7 1459 1 1 11 LYS NZ N 3.490 -7.150 -7.035 1.00 . A A . 10 LYS NZ 1 1
7 1460 1 1 11 LYS O O 8.384 -2.623 -4.677 1.00 . A A . 10 LYS O 1 1
7 1461 1 1 12 GLY C C 9.863 -0.736 -1.321 1.00 . A A . 11 GLY C 1 1
7 1462 1 1 12 GLY CA C 9.325 -0.753 -2.778 1.00 . A A . 11 GLY CA 1 1
7 1463 1 1 12 GLY H H 7.170 -1.024 -2.314 1.00 . A A . 11 GLY H 1 1
7 1464 1 1 12 GLY HA2 H 10.048 -1.327 -3.387 1.00 . A A . 11 GLY HA2 1 1
7 1465 1 1 12 GLY HA3 H 9.392 0.280 -3.166 1.00 . A A . 11 GLY HA3 1 1
7 1466 1 1 12 GLY N N 7.929 -1.227 -2.982 1.00 . A A . 11 GLY N 1 1
7 1467 1 1 12 GLY O O 10.915 -0.143 -1.095 1.00 . A A . 11 GLY O 1 1
7 1468 1 1 13 TYR C C 9.717 -2.863 1.572 1.00 . A A . 12 TYR C 1 1
7 1469 1 1 13 TYR CA C 9.550 -1.387 1.086 1.00 . A A . 12 TYR CA 1 1
7 1470 1 1 13 TYR CB C 8.517 -0.525 1.896 1.00 . A A . 12 TYR CB 1 1
7 1471 1 1 13 TYR CD1 C 9.785 1.710 1.599 1.00 . A A . 12 TYR CD1 1 1
7 1472 1 1 13 TYR CD2 C 8.466 1.361 3.588 1.00 . A A . 12 TYR CD2 1 1
7 1473 1 1 13 TYR CE1 C 10.192 2.950 2.088 1.00 . A A . 12 TYR CE1 1 1
7 1474 1 1 13 TYR CE2 C 8.868 2.606 4.073 1.00 . A A . 12 TYR CE2 1 1
7 1475 1 1 13 TYR CG C 8.941 0.889 2.360 1.00 . A A . 12 TYR CG 1 1
7 1476 1 1 13 TYR CZ C 9.744 3.389 3.325 1.00 . A A . 12 TYR CZ 1 1
7 1477 1 1 13 TYR H H 8.337 -1.853 -0.707 1.00 . A A . 12 TYR H 1 1
7 1478 1 1 13 TYR HA H 10.559 -0.948 1.224 1.00 . A A . 12 TYR HA 1 1
7 1479 1 1 13 TYR HB2 H 7.557 -0.431 1.349 1.00 . A A . 12 TYR HB2 1 1
7 1480 1 1 13 TYR HB3 H 8.225 -1.097 2.799 1.00 . A A . 12 TYR HB3 1 1
7 1481 1 1 13 TYR HD1 H 10.154 1.392 0.642 1.00 . A A . 12 TYR HD1 1 1
7 1482 1 1 13 TYR HD2 H 7.789 0.765 4.185 1.00 . A A . 12 TYR HD2 1 1
7 1483 1 1 13 TYR HE1 H 10.874 3.559 1.512 1.00 . A A . 12 TYR HE1 1 1
7 1484 1 1 13 TYR HE2 H 8.500 2.953 5.026 1.00 . A A . 12 TYR HE2 1 1
7 1485 1 1 13 TYR HH H 10.018 4.617 4.760 1.00 . A A . 12 TYR HH 1 1
7 1486 1 1 13 TYR N N 9.171 -1.370 -0.354 1.00 . A A . 12 TYR N 1 1
7 1487 1 1 13 TYR O O 10.827 -3.351 1.761 1.00 . A A . 12 TYR O 1 1
7 1488 1 1 13 TYR OH O 10.197 4.583 3.819 1.00 . A A . 12 TYR OH 1 1
7 1489 1 1 14 NH2 HN1 H 8.918 -4.576 2.139 1.00 . A A . 13 NH2 HN1 1 1
7 1490 1 1 14 NH2 HN2 H 7.743 -3.232 1.670 1.00 . A A . 13 NH2 HN2 1 1
7 1491 1 1 14 NH2 N N 8.672 -3.642 1.798 1.00 . A A . 13 NH2 N 1 1
8 1492 1 1 1 ACE C C -8.648 -4.932 -0.319 1.00 . A A . 0 ACE C 1 1
8 1493 1 1 1 ACE CH3 C -8.127 -6.350 -0.168 1.00 . A A . 0 ACE CH3 1 1
8 1494 1 1 1 ACE H1 H -7.031 -6.416 -0.031 1.00 . A A . 0 ACE H1 1 1
8 1495 1 1 1 ACE H2 H -8.607 -6.837 0.699 1.00 . A A . 0 ACE H2 1 1
8 1496 1 1 1 ACE H3 H -8.384 -6.943 -1.063 1.00 . A A . 0 ACE H3 1 1
8 1497 1 1 1 ACE O O -9.833 -4.740 -0.591 1.00 . A A . 0 ACE O 1 1
8 1498 1 1 2 ARG C C -7.436 -1.894 -1.629 1.00 . A A . 1 ARG C 1 1
8 1499 1 1 2 ARG CA C -8.095 -2.513 -0.342 1.00 . A A . 1 ARG CA 1 1
8 1500 1 1 2 ARG CB C -7.715 -1.706 0.943 1.00 . A A . 1 ARG CB 1 1
8 1501 1 1 2 ARG CD C -9.035 -2.307 3.100 1.00 . A A . 1 ARG CD 1 1
8 1502 1 1 2 ARG CG C -8.899 -1.370 1.885 1.00 . A A . 1 ARG CG 1 1
8 1503 1 1 2 ARG CZ C -11.368 -1.849 3.936 1.00 . A A . 1 ARG CZ 1 1
8 1504 1 1 2 ARG H H -6.798 -4.279 -0.015 1.00 . A A . 1 ARG H 1 1
8 1505 1 1 2 ARG HA H -9.185 -2.421 -0.507 1.00 . A A . 1 ARG HA 1 1
8 1506 1 1 2 ARG HB2 H -6.878 -2.181 1.495 1.00 . A A . 1 ARG HB2 1 1
8 1507 1 1 2 ARG HB3 H -7.267 -0.736 0.650 1.00 . A A . 1 ARG HB3 1 1
8 1508 1 1 2 ARG HD2 H -9.248 -3.351 2.792 1.00 . A A . 1 ARG HD2 1 1
8 1509 1 1 2 ARG HD3 H -8.054 -2.369 3.615 1.00 . A A . 1 ARG HD3 1 1
8 1510 1 1 2 ARG HE H -9.738 -1.299 4.922 1.00 . A A . 1 ARG HE 1 1
8 1511 1 1 2 ARG HG2 H -8.780 -0.328 2.243 1.00 . A A . 1 ARG HG2 1 1
8 1512 1 1 2 ARG HG3 H -9.850 -1.344 1.318 1.00 . A A . 1 ARG HG3 1 1
8 1513 1 1 2 ARG HH11 H -13.122 -1.348 4.729 1.00 . A A . 1 ARG HH11 1 1
8 1514 1 1 2 ARG HH12 H -11.624 -0.853 5.637 1.00 . A A . 1 ARG HH12 1 1
8 1515 1 1 2 ARG HH21 H -12.986 -2.416 2.880 1.00 . A A . 1 ARG HH21 1 1
8 1516 1 1 2 ARG HH22 H -11.320 -2.840 2.245 1.00 . A A . 1 ARG HH22 1 1
8 1517 1 1 2 ARG N N -7.764 -3.952 -0.130 1.00 . A A . 1 ARG N 1 1
8 1518 1 1 2 ARG NE N -10.042 -1.788 4.074 1.00 . A A . 1 ARG NE 1 1
8 1519 1 1 2 ARG NH1 N -12.109 -1.299 4.855 1.00 . A A . 1 ARG NH1 1 1
8 1520 1 1 2 ARG NH2 N -11.965 -2.426 2.923 1.00 . A A . 1 ARG NH2 1 1
8 1521 1 1 2 ARG O O -6.369 -2.356 -2.047 1.00 . A A . 1 ARG O 1 1
8 1522 1 1 3 PRO C C -5.953 0.747 -2.783 1.00 . A A . 2 PRO C 1 1
8 1523 1 1 3 PRO CA C -7.239 -0.009 -3.280 1.00 . A A . 2 PRO CA 1 1
8 1524 1 1 3 PRO CB C -8.354 0.926 -3.792 1.00 . A A . 2 PRO CB 1 1
8 1525 1 1 3 PRO CD C -9.226 -0.122 -1.802 1.00 . A A . 2 PRO CD 1 1
8 1526 1 1 3 PRO CG C -9.223 1.203 -2.566 1.00 . A A . 2 PRO CG 1 1
8 1527 1 1 3 PRO HA H -6.926 -0.679 -4.105 1.00 . A A . 2 PRO HA 1 1
8 1528 1 1 3 PRO HB2 H -7.969 1.853 -4.262 1.00 . A A . 2 PRO HB2 1 1
8 1529 1 1 3 PRO HB3 H -8.956 0.412 -4.566 1.00 . A A . 2 PRO HB3 1 1
8 1530 1 1 3 PRO HD2 H -9.251 0.064 -0.712 1.00 . A A . 2 PRO HD2 1 1
8 1531 1 1 3 PRO HD3 H -10.113 -0.732 -2.063 1.00 . A A . 2 PRO HD3 1 1
8 1532 1 1 3 PRO HG2 H -8.752 1.997 -1.961 1.00 . A A . 2 PRO HG2 1 1
8 1533 1 1 3 PRO HG3 H -10.239 1.561 -2.814 1.00 . A A . 2 PRO HG3 1 1
8 1534 1 1 3 PRO N N -7.981 -0.795 -2.245 1.00 . A A . 2 PRO N 1 1
8 1535 1 1 3 PRO O O -4.982 0.881 -3.529 1.00 . A A . 2 PRO O 1 1
8 1536 1 1 4 LEU C C -3.695 0.757 -0.291 1.00 . A A . 3 LEU C 1 1
8 1537 1 1 4 LEU CA C -4.748 1.795 -0.842 1.00 . A A . 3 LEU CA 1 1
8 1538 1 1 4 LEU CB C -5.268 2.778 0.261 1.00 . A A . 3 LEU CB 1 1
8 1539 1 1 4 LEU CD1 C -7.746 3.482 0.136 1.00 . A A . 3 LEU CD1 1 1
8 1540 1 1 4 LEU CD2 C -5.990 5.263 0.404 1.00 . A A . 3 LEU CD2 1 1
8 1541 1 1 4 LEU CG C -6.286 3.874 -0.188 1.00 . A A . 3 LEU CG 1 1
8 1542 1 1 4 LEU H H -6.795 0.956 -1.006 1.00 . A A . 3 LEU H 1 1
8 1543 1 1 4 LEU HA H -4.199 2.410 -1.583 1.00 . A A . 3 LEU HA 1 1
8 1544 1 1 4 LEU HB2 H -5.676 2.201 1.114 1.00 . A A . 3 LEU HB2 1 1
8 1545 1 1 4 LEU HB3 H -4.377 3.268 0.696 1.00 . A A . 3 LEU HB3 1 1
8 1546 1 1 4 LEU HD11 H -7.907 2.389 0.123 1.00 . A A . 3 LEU HD11 1 1
8 1547 1 1 4 LEU HD12 H -8.074 3.821 1.136 1.00 . A A . 3 LEU HD12 1 1
8 1548 1 1 4 LEU HD13 H -8.449 3.918 -0.598 1.00 . A A . 3 LEU HD13 1 1
8 1549 1 1 4 LEU HD21 H -6.494 6.057 -0.179 1.00 . A A . 3 LEU HD21 1 1
8 1550 1 1 4 LEU HD22 H -6.331 5.361 1.451 1.00 . A A . 3 LEU HD22 1 1
8 1551 1 1 4 LEU HD23 H -4.912 5.501 0.390 1.00 . A A . 3 LEU HD23 1 1
8 1552 1 1 4 LEU HG H -6.198 3.978 -1.288 1.00 . A A . 3 LEU HG 1 1
8 1553 1 1 4 LEU N N -5.934 1.182 -1.508 1.00 . A A . 3 LEU N 1 1
8 1554 1 1 4 LEU O O -3.069 0.975 0.752 1.00 . A A . 3 LEU O 1 1
8 1555 1 1 5 ASP C C -0.874 -0.710 -1.277 1.00 . A A . 4 ASP C 1 1
8 1556 1 1 5 ASP CA C -2.282 -1.255 -0.806 1.00 . A A . 4 ASP CA 1 1
8 1557 1 1 5 ASP CB C -2.685 -2.614 -1.457 1.00 . A A . 4 ASP CB 1 1
8 1558 1 1 5 ASP CG C -2.151 -3.849 -0.724 1.00 . A A . 4 ASP CG 1 1
8 1559 1 1 5 ASP H H -3.980 -0.365 -1.916 1.00 . A A . 4 ASP H 1 1
8 1560 1 1 5 ASP HA H -2.202 -1.414 0.288 1.00 . A A . 4 ASP HA 1 1
8 1561 1 1 5 ASP HB2 H -3.785 -2.741 -1.493 1.00 . A A . 4 ASP HB2 1 1
8 1562 1 1 5 ASP HB3 H -2.376 -2.653 -2.518 1.00 . A A . 4 ASP HB3 1 1
8 1563 1 1 5 ASP N N -3.429 -0.325 -1.048 1.00 . A A . 4 ASP N 1 1
8 1564 1 1 5 ASP O O 0.169 -1.183 -0.829 1.00 . A A . 4 ASP O 1 1
8 1565 1 1 5 ASP OD1 O -2.962 -4.577 -0.110 1.00 . A A . 4 ASP OD1 1 1
8 1566 1 1 5 ASP OD2 O -0.926 -4.092 -0.731 1.00 . A A . 4 ASP OD2 1 1
8 1567 1 1 6 THR C C 0.595 2.499 -2.007 1.00 . A A . 5 THR C 1 1
8 1568 1 1 6 THR CA C 0.362 1.056 -2.605 1.00 . A A . 5 THR CA 1 1
8 1569 1 1 6 THR CB C 0.346 0.991 -4.167 1.00 . A A . 5 THR CB 1 1
8 1570 1 1 6 THR CG2 C -0.881 1.626 -4.857 1.00 . A A . 5 THR CG2 1 1
8 1571 1 1 6 THR H H -1.802 0.629 -2.392 1.00 . A A . 5 THR H 1 1
8 1572 1 1 6 THR HA H 1.250 0.504 -2.272 1.00 . A A . 5 THR HA 1 1
8 1573 1 1 6 THR HB H 0.374 -0.079 -4.461 1.00 . A A . 5 THR HB 1 1
8 1574 1 1 6 THR HG1 H 2.014 0.927 -5.154 1.00 . A A . 5 THR HG1 1 1
8 1575 1 1 6 THR HG21 H -1.172 2.581 -4.384 1.00 . A A . 5 THR HG21 1 1
8 1576 1 1 6 THR HG22 H -0.703 1.827 -5.928 1.00 . A A . 5 THR HG22 1 1
8 1577 1 1 6 THR HG23 H -1.760 0.955 -4.798 1.00 . A A . 5 THR HG23 1 1
8 1578 1 1 6 THR N N -0.856 0.319 -2.145 1.00 . A A . 5 THR N 1 1
8 1579 1 1 6 THR O O 1.546 3.188 -2.382 1.00 . A A . 5 THR O 1 1
8 1580 1 1 6 THR OG1 O 1.510 1.610 -4.708 1.00 . A A . 5 THR OG1 1 1
8 1581 1 1 7 VAL C C 0.677 4.090 1.021 1.00 . A A . 6 VAL C 1 1
8 1582 1 1 7 VAL CA C -0.080 4.256 -0.337 1.00 . A A . 6 VAL CA 1 1
8 1583 1 1 7 VAL CB C -1.498 4.947 -0.280 1.00 . A A . 6 VAL CB 1 1
8 1584 1 1 7 VAL CG1 C -1.780 5.849 0.947 1.00 . A A . 6 VAL CG1 1 1
8 1585 1 1 7 VAL CG2 C -1.755 5.774 -1.559 1.00 . A A . 6 VAL CG2 1 1
8 1586 1 1 7 VAL H H -0.900 2.224 -0.753 1.00 . A A . 6 VAL H 1 1
8 1587 1 1 7 VAL HA H 0.588 4.922 -0.923 1.00 . A A . 6 VAL HA 1 1
8 1588 1 1 7 VAL HB H -2.280 4.162 -0.241 1.00 . A A . 6 VAL HB 1 1
8 1589 1 1 7 VAL HG11 H -2.737 6.394 0.866 1.00 . A A . 6 VAL HG11 1 1
8 1590 1 1 7 VAL HG12 H -1.851 5.246 1.873 1.00 . A A . 6 VAL HG12 1 1
8 1591 1 1 7 VAL HG13 H -0.982 6.596 1.110 1.00 . A A . 6 VAL HG13 1 1
8 1592 1 1 7 VAL HG21 H -0.975 6.544 -1.716 1.00 . A A . 6 VAL HG21 1 1
8 1593 1 1 7 VAL HG22 H -1.762 5.134 -2.461 1.00 . A A . 6 VAL HG22 1 1
8 1594 1 1 7 VAL HG23 H -2.728 6.300 -1.535 1.00 . A A . 6 VAL HG23 1 1
8 1595 1 1 7 VAL N N -0.228 2.942 -1.043 1.00 . A A . 6 VAL N 1 1
8 1596 1 1 7 VAL O O 1.708 4.730 1.240 1.00 . A A . 6 VAL O 1 1
8 1597 1 1 8 GLN C C 2.121 2.007 3.094 1.00 . A A . 7 GLN C 1 1
8 1598 1 1 8 GLN CA C 0.845 2.904 3.205 1.00 . A A . 7 GLN CA 1 1
8 1599 1 1 8 GLN CB C -0.231 2.285 4.150 1.00 . A A . 7 GLN CB 1 1
8 1600 1 1 8 GLN CD C -1.716 2.678 6.226 1.00 . A A . 7 GLN CD 1 1
8 1601 1 1 8 GLN CG C -0.747 3.287 5.208 1.00 . A A . 7 GLN CG 1 1
8 1602 1 1 8 GLN H H -0.643 2.712 1.577 1.00 . A A . 7 GLN H 1 1
8 1603 1 1 8 GLN HA H 1.220 3.846 3.655 1.00 . A A . 7 GLN HA 1 1
8 1604 1 1 8 GLN HB2 H -1.091 1.862 3.588 1.00 . A A . 7 GLN HB2 1 1
8 1605 1 1 8 GLN HB3 H 0.180 1.401 4.679 1.00 . A A . 7 GLN HB3 1 1
8 1606 1 1 8 GLN HE21 H -3.001 4.183 5.967 1.00 . A A . 7 GLN HE21 1 1
8 1607 1 1 8 GLN HE22 H -3.405 2.874 7.202 1.00 . A A . 7 GLN HE22 1 1
8 1608 1 1 8 GLN HG2 H 0.110 3.688 5.780 1.00 . A A . 7 GLN HG2 1 1
8 1609 1 1 8 GLN HG3 H -1.193 4.161 4.697 1.00 . A A . 7 GLN HG3 1 1
8 1610 1 1 8 GLN N N 0.159 3.246 1.927 1.00 . A A . 7 GLN N 1 1
8 1611 1 1 8 GLN NE2 N -2.846 3.299 6.457 1.00 . A A . 7 GLN NE2 1 1
8 1612 1 1 8 GLN O O 3.002 2.088 3.954 1.00 . A A . 7 GLN O 1 1
8 1613 1 1 8 GLN OE1 O -1.459 1.653 6.848 1.00 . A A . 7 GLN OE1 1 1
8 1614 1 1 9 ARG C C 3.346 -0.329 0.423 1.00 . A A . 8 ARG C 1 1
8 1615 1 1 9 ARG CA C 3.298 0.152 1.915 1.00 . A A . 8 ARG CA 1 1
8 1616 1 1 9 ARG CB C 3.158 -1.006 2.946 1.00 . A A . 8 ARG CB 1 1
8 1617 1 1 9 ARG CD C 2.004 -3.305 2.681 1.00 . A A . 8 ARG CD 1 1
8 1618 1 1 9 ARG CG C 1.818 -1.792 2.893 1.00 . A A . 8 ARG CG 1 1
8 1619 1 1 9 ARG CZ C 0.037 -4.249 3.912 1.00 . A A . 8 ARG CZ 1 1
8 1620 1 1 9 ARG H H 1.424 1.209 1.411 1.00 . A A . 8 ARG H 1 1
8 1621 1 1 9 ARG HA H 4.265 0.645 2.136 1.00 . A A . 8 ARG HA 1 1
8 1622 1 1 9 ARG HB2 H 4.026 -1.682 2.823 1.00 . A A . 8 ARG HB2 1 1
8 1623 1 1 9 ARG HB3 H 3.290 -0.591 3.965 1.00 . A A . 8 ARG HB3 1 1
8 1624 1 1 9 ARG HD2 H 2.435 -3.473 1.671 1.00 . A A . 8 ARG HD2 1 1
8 1625 1 1 9 ARG HD3 H 2.756 -3.730 3.378 1.00 . A A . 8 ARG HD3 1 1
8 1626 1 1 9 ARG HE H 0.208 -4.308 1.919 1.00 . A A . 8 ARG HE 1 1
8 1627 1 1 9 ARG HG2 H 1.232 -1.558 3.801 1.00 . A A . 8 ARG HG2 1 1
8 1628 1 1 9 ARG HG3 H 1.173 -1.418 2.071 1.00 . A A . 8 ARG HG3 1 1
8 1629 1 1 9 ARG HH11 H -1.589 -5.032 4.726 1.00 . A A . 8 ARG HH11 1 1
8 1630 1 1 9 ARG HH12 H -1.418 -5.136 2.908 1.00 . A A . 8 ARG HH12 1 1
8 1631 1 1 9 ARG HH21 H -0.106 -4.015 5.918 1.00 . A A . 8 ARG HH21 1 1
8 1632 1 1 9 ARG HH22 H 1.350 -3.343 5.031 1.00 . A A . 8 ARG HH22 1 1
8 1633 1 1 9 ARG N N 2.198 1.132 2.080 1.00 . A A . 8 ARG N 1 1
8 1634 1 1 9 ARG NE N 0.699 -4.015 2.776 1.00 . A A . 8 ARG NE 1 1
8 1635 1 1 9 ARG NH1 N -1.100 -4.870 3.845 1.00 . A A . 8 ARG NH1 1 1
8 1636 1 1 9 ARG NH2 N 0.473 -3.867 5.090 1.00 . A A . 8 ARG NH2 1 1
8 1637 1 1 9 ARG O O 2.865 -1.431 0.137 1.00 . A A . 8 ARG O 1 1
8 1638 1 1 10 PRO C C 4.999 -1.315 -2.123 1.00 . A A . 9 PRO C 1 1
8 1639 1 1 10 PRO CA C 4.030 -0.108 -1.964 1.00 . A A . 9 PRO CA 1 1
8 1640 1 1 10 PRO CB C 4.448 1.179 -2.708 1.00 . A A . 9 PRO CB 1 1
8 1641 1 1 10 PRO CD C 4.528 1.738 -0.374 1.00 . A A . 9 PRO CD 1 1
8 1642 1 1 10 PRO CG C 5.273 1.965 -1.688 1.00 . A A . 9 PRO CG 1 1
8 1643 1 1 10 PRO HA H 3.049 -0.462 -2.327 1.00 . A A . 9 PRO HA 1 1
8 1644 1 1 10 PRO HB2 H 5.001 0.997 -3.649 1.00 . A A . 9 PRO HB2 1 1
8 1645 1 1 10 PRO HB3 H 3.551 1.765 -2.990 1.00 . A A . 9 PRO HB3 1 1
8 1646 1 1 10 PRO HD2 H 5.226 1.776 0.484 1.00 . A A . 9 PRO HD2 1 1
8 1647 1 1 10 PRO HD3 H 3.746 2.508 -0.214 1.00 . A A . 9 PRO HD3 1 1
8 1648 1 1 10 PRO HG2 H 6.297 1.547 -1.623 1.00 . A A . 9 PRO HG2 1 1
8 1649 1 1 10 PRO HG3 H 5.371 3.036 -1.944 1.00 . A A . 9 PRO HG3 1 1
8 1650 1 1 10 PRO N N 3.915 0.408 -0.573 1.00 . A A . 9 PRO N 1 1
8 1651 1 1 10 PRO O O 5.665 -1.761 -1.180 1.00 . A A . 9 PRO O 1 1
8 1652 1 1 11 LYS C C 7.667 -2.142 -3.850 1.00 . A A . 10 LYS C 1 1
8 1653 1 1 11 LYS CA C 6.227 -2.775 -3.701 1.00 . A A . 10 LYS CA 1 1
8 1654 1 1 11 LYS CB C 5.761 -3.601 -4.929 1.00 . A A . 10 LYS CB 1 1
8 1655 1 1 11 LYS CD C 4.513 -5.796 -5.521 1.00 . A A . 10 LYS CD 1 1
8 1656 1 1 11 LYS CE C 3.173 -6.148 -6.206 1.00 . A A . 10 LYS CE 1 1
8 1657 1 1 11 LYS CG C 4.497 -4.479 -4.711 1.00 . A A . 10 LYS CG 1 1
8 1658 1 1 11 LYS H H 4.615 -1.295 -4.080 1.00 . A A . 10 LYS H 1 1
8 1659 1 1 11 LYS HA H 6.326 -3.502 -2.869 1.00 . A A . 10 LYS HA 1 1
8 1660 1 1 11 LYS HB2 H 5.604 -2.932 -5.798 1.00 . A A . 10 LYS HB2 1 1
8 1661 1 1 11 LYS HB3 H 6.609 -4.244 -5.230 1.00 . A A . 10 LYS HB3 1 1
8 1662 1 1 11 LYS HD2 H 5.299 -5.762 -6.302 1.00 . A A . 10 LYS HD2 1 1
8 1663 1 1 11 LYS HD3 H 4.876 -6.596 -4.841 1.00 . A A . 10 LYS HD3 1 1
8 1664 1 1 11 LYS HE2 H 2.366 -5.437 -5.921 1.00 . A A . 10 LYS HE2 1 1
8 1665 1 1 11 LYS HE3 H 3.279 -6.002 -7.305 1.00 . A A . 10 LYS HE3 1 1
8 1666 1 1 11 LYS HG2 H 4.381 -4.729 -3.635 1.00 . A A . 10 LYS HG2 1 1
8 1667 1 1 11 LYS HG3 H 3.604 -3.859 -4.926 1.00 . A A . 10 LYS HG3 1 1
8 1668 1 1 11 LYS HZ1 H 3.484 -8.232 -6.155 1.00 . A A . 10 LYS HZ1 1 1
8 1669 1 1 11 LYS HZ2 H 2.612 -7.678 -4.882 1.00 . A A . 10 LYS HZ2 1 1
8 1670 1 1 11 LYS HZ3 H 1.897 -7.834 -6.354 1.00 . A A . 10 LYS HZ3 1 1
8 1671 1 1 11 LYS N N 5.144 -1.801 -3.364 1.00 . A A . 10 LYS N 1 1
8 1672 1 1 11 LYS NZ N 2.768 -7.543 -5.890 1.00 . A A . 10 LYS NZ 1 1
8 1673 1 1 11 LYS O O 8.463 -2.542 -4.702 1.00 . A A . 10 LYS O 1 1
8 1674 1 1 12 GLY C C 9.845 -0.655 -1.211 1.00 . A A . 11 GLY C 1 1
8 1675 1 1 12 GLY CA C 9.397 -0.731 -2.699 1.00 . A A . 11 GLY CA 1 1
8 1676 1 1 12 GLY H H 7.238 -1.024 -2.287 1.00 . A A . 11 GLY H 1 1
8 1677 1 1 12 GLY HA2 H 10.143 -1.335 -3.250 1.00 . A A . 11 GLY HA2 1 1
8 1678 1 1 12 GLY HA3 H 9.486 0.287 -3.122 1.00 . A A . 11 GLY HA3 1 1
8 1679 1 1 12 GLY N N 8.008 -1.207 -2.947 1.00 . A A . 11 GLY N 1 1
8 1680 1 1 12 GLY O O 10.803 0.058 -0.914 1.00 . A A . 11 GLY O 1 1
8 1681 1 1 13 TYR C C 9.696 -2.910 1.602 1.00 . A A . 12 TYR C 1 1
8 1682 1 1 13 TYR CA C 9.510 -1.425 1.155 1.00 . A A . 12 TYR CA 1 1
8 1683 1 1 13 TYR CB C 8.428 -0.630 1.963 1.00 . A A . 12 TYR CB 1 1
8 1684 1 1 13 TYR CD1 C 9.482 0.843 3.736 1.00 . A A . 12 TYR CD1 1 1
8 1685 1 1 13 TYR CD2 C 8.723 1.889 1.694 1.00 . A A . 12 TYR CD2 1 1
8 1686 1 1 13 TYR CE1 C 9.900 2.084 4.217 1.00 . A A . 12 TYR CE1 1 1
8 1687 1 1 13 TYR CE2 C 9.142 3.131 2.180 1.00 . A A . 12 TYR CE2 1 1
8 1688 1 1 13 TYR CG C 8.892 0.742 2.473 1.00 . A A . 12 TYR CG 1 1
8 1689 1 1 13 TYR CZ C 9.728 3.221 3.439 1.00 . A A . 12 TYR CZ 1 1
8 1690 1 1 13 TYR H H 8.395 -1.910 -0.693 1.00 . A A . 12 TYR H 1 1
8 1691 1 1 13 TYR HA H 10.504 -0.961 1.331 1.00 . A A . 12 TYR HA 1 1
8 1692 1 1 13 TYR HB2 H 7.490 -0.516 1.384 1.00 . A A . 12 TYR HB2 1 1
8 1693 1 1 13 TYR HB3 H 8.095 -1.219 2.839 1.00 . A A . 12 TYR HB3 1 1
8 1694 1 1 13 TYR HD1 H 9.624 -0.034 4.351 1.00 . A A . 12 TYR HD1 1 1
8 1695 1 1 13 TYR HD2 H 8.281 1.825 0.711 1.00 . A A . 12 TYR HD2 1 1
8 1696 1 1 13 TYR HE1 H 10.358 2.157 5.192 1.00 . A A . 12 TYR HE1 1 1
8 1697 1 1 13 TYR HE2 H 9.020 4.017 1.575 1.00 . A A . 12 TYR HE2 1 1
8 1698 1 1 13 TYR HH H 9.383 4.861 4.346 1.00 . A A . 12 TYR HH 1 1
8 1699 1 1 13 TYR N N 9.178 -1.382 -0.295 1.00 . A A . 12 TYR N 1 1
8 1700 1 1 13 TYR O O 10.811 -3.384 1.800 1.00 . A A . 12 TYR O 1 1
8 1701 1 1 13 TYR OH O 10.131 4.439 3.921 1.00 . A A . 12 TYR OH 1 1
8 1702 1 1 14 NH2 HN1 H 8.908 -4.654 2.098 1.00 . A A . 13 NH2 HN1 1 1
8 1703 1 1 14 NH2 HN2 H 7.726 -3.310 1.649 1.00 . A A . 13 NH2 HN2 1 1
8 1704 1 1 14 NH2 N N 8.658 -3.714 1.779 1.00 . A A . 13 NH2 N 1 1
9 1705 1 1 1 ACE C C -10.364 -3.358 -0.026 1.00 . A A . 0 ACE C 1 1
9 1706 1 1 1 ACE CH3 C -11.604 -3.988 -0.630 1.00 . A A . 0 ACE CH3 1 1
9 1707 1 1 1 ACE H1 H -11.384 -4.790 -1.358 1.00 . A A . 0 ACE H1 1 1
9 1708 1 1 1 ACE H2 H -12.231 -4.426 0.166 1.00 . A A . 0 ACE H2 1 1
9 1709 1 1 1 ACE H3 H -12.207 -3.218 -1.142 1.00 . A A . 0 ACE H3 1 1
9 1710 1 1 1 ACE O O -10.446 -2.682 1.000 1.00 . A A . 0 ACE O 1 1
9 1711 1 1 2 ARG C C -7.315 -2.190 -1.592 1.00 . A A . 1 ARG C 1 1
9 1712 1 1 2 ARG CA C -7.961 -2.860 -0.329 1.00 . A A . 1 ARG CA 1 1
9 1713 1 1 2 ARG CB C -7.060 -3.857 0.459 1.00 . A A . 1 ARG CB 1 1
9 1714 1 1 2 ARG CD C -5.511 -3.967 2.533 1.00 . A A . 1 ARG CD 1 1
9 1715 1 1 2 ARG CG C -5.897 -3.195 1.245 1.00 . A A . 1 ARG CG 1 1
9 1716 1 1 2 ARG CZ C -6.196 -2.358 4.347 1.00 . A A . 1 ARG CZ 1 1
9 1717 1 1 2 ARG H H -9.332 -4.100 -1.553 1.00 . A A . 1 ARG H 1 1
9 1718 1 1 2 ARG HA H -8.173 -2.027 0.371 1.00 . A A . 1 ARG HA 1 1
9 1719 1 1 2 ARG HB2 H -7.707 -4.421 1.160 1.00 . A A . 1 ARG HB2 1 1
9 1720 1 1 2 ARG HB3 H -6.657 -4.631 -0.225 1.00 . A A . 1 ARG HB3 1 1
9 1721 1 1 2 ARG HD2 H -6.260 -4.740 2.807 1.00 . A A . 1 ARG HD2 1 1
9 1722 1 1 2 ARG HD3 H -4.600 -4.565 2.324 1.00 . A A . 1 ARG HD3 1 1
9 1723 1 1 2 ARG HE H -4.327 -2.996 4.114 1.00 . A A . 1 ARG HE 1 1
9 1724 1 1 2 ARG HG2 H -5.010 -3.088 0.590 1.00 . A A . 1 ARG HG2 1 1
9 1725 1 1 2 ARG HG3 H -6.152 -2.143 1.483 1.00 . A A . 1 ARG HG3 1 1
9 1726 1 1 2 ARG HH11 H -6.559 -1.093 5.834 1.00 . A A . 1 ARG HH11 1 1
9 1727 1 1 2 ARG HH12 H -4.848 -1.685 5.644 1.00 . A A . 1 ARG HH12 1 1
9 1728 1 1 2 ARG HH21 H -8.104 -1.717 4.493 1.00 . A A . 1 ARG HH21 1 1
9 1729 1 1 2 ARG HH22 H -7.655 -2.882 3.153 1.00 . A A . 1 ARG HH22 1 1
9 1730 1 1 2 ARG N N -9.226 -3.554 -0.692 1.00 . A A . 1 ARG N 1 1
9 1731 1 1 2 ARG NE N -5.265 -3.076 3.707 1.00 . A A . 1 ARG NE 1 1
9 1732 1 1 2 ARG NH1 N -5.833 -1.646 5.374 1.00 . A A . 1 ARG NH1 1 1
9 1733 1 1 2 ARG NH2 N -7.455 -2.319 3.984 1.00 . A A . 1 ARG NH2 1 1
9 1734 1 1 2 ARG O O -6.267 -2.664 -2.044 1.00 . A A . 1 ARG O 1 1
9 1735 1 1 3 PRO C C -5.860 0.485 -2.753 1.00 . A A . 2 PRO C 1 1
9 1736 1 1 3 PRO CA C -7.135 -0.297 -3.232 1.00 . A A . 2 PRO CA 1 1
9 1737 1 1 3 PRO CB C -8.273 0.604 -3.754 1.00 . A A . 2 PRO CB 1 1
9 1738 1 1 3 PRO CD C -9.101 -0.409 -1.721 1.00 . A A . 2 PRO CD 1 1
9 1739 1 1 3 PRO CG C -9.143 0.891 -2.529 1.00 . A A . 2 PRO CG 1 1
9 1740 1 1 3 PRO HA H -6.816 -0.978 -4.045 1.00 . A A . 2 PRO HA 1 1
9 1741 1 1 3 PRO HB2 H -7.910 1.526 -4.248 1.00 . A A . 2 PRO HB2 1 1
9 1742 1 1 3 PRO HB3 H -8.869 0.058 -4.512 1.00 . A A . 2 PRO HB3 1 1
9 1743 1 1 3 PRO HD2 H -9.112 -0.203 -0.633 1.00 . A A . 2 PRO HD2 1 1
9 1744 1 1 3 PRO HD3 H -9.981 -1.041 -1.948 1.00 . A A . 2 PRO HD3 1 1
9 1745 1 1 3 PRO HG2 H -8.699 1.724 -1.955 1.00 . A A . 2 PRO HG2 1 1
9 1746 1 1 3 PRO HG3 H -10.172 1.203 -2.786 1.00 . A A . 2 PRO HG3 1 1
9 1747 1 1 3 PRO N N -7.853 -1.071 -2.173 1.00 . A A . 2 PRO N 1 1
9 1748 1 1 3 PRO O O -4.895 0.632 -3.506 1.00 . A A . 2 PRO O 1 1
9 1749 1 1 4 LEU C C -3.600 0.567 -0.266 1.00 . A A . 3 LEU C 1 1
9 1750 1 1 4 LEU CA C -4.677 1.576 -0.824 1.00 . A A . 3 LEU CA 1 1
9 1751 1 1 4 LEU CB C -5.232 2.537 0.280 1.00 . A A . 3 LEU CB 1 1
9 1752 1 1 4 LEU CD1 C -7.736 3.094 0.311 1.00 . A A . 3 LEU CD1 1 1
9 1753 1 1 4 LEU CD2 C -6.080 4.977 0.389 1.00 . A A . 3 LEU CD2 1 1
9 1754 1 1 4 LEU CG C -6.336 3.559 -0.142 1.00 . A A . 3 LEU CG 1 1
9 1755 1 1 4 LEU H H -6.699 0.681 -0.976 1.00 . A A . 3 LEU H 1 1
9 1756 1 1 4 LEU HA H -4.150 2.208 -1.566 1.00 . A A . 3 LEU HA 1 1
9 1757 1 1 4 LEU HB2 H -5.580 1.938 1.145 1.00 . A A . 3 LEU HB2 1 1
9 1758 1 1 4 LEU HB3 H -4.365 3.085 0.694 1.00 . A A . 3 LEU HB3 1 1
9 1759 1 1 4 LEU HD11 H -8.539 3.647 -0.212 1.00 . A A . 3 LEU HD11 1 1
9 1760 1 1 4 LEU HD12 H -7.906 2.022 0.115 1.00 . A A . 3 LEU HD12 1 1
9 1761 1 1 4 LEU HD13 H -7.895 3.234 1.397 1.00 . A A . 3 LEU HD13 1 1
9 1762 1 1 4 LEU HD21 H -6.231 5.050 1.482 1.00 . A A . 3 LEU HD21 1 1
9 1763 1 1 4 LEU HD22 H -5.050 5.315 0.174 1.00 . A A . 3 LEU HD22 1 1
9 1764 1 1 4 LEU HD23 H -6.759 5.710 -0.086 1.00 . A A . 3 LEU HD23 1 1
9 1765 1 1 4 LEU HG H -6.339 3.631 -1.248 1.00 . A A . 3 LEU HG 1 1
9 1766 1 1 4 LEU N N -5.844 0.927 -1.483 1.00 . A A . 3 LEU N 1 1
9 1767 1 1 4 LEU O O -2.974 0.812 0.769 1.00 . A A . 3 LEU O 1 1
9 1768 1 1 5 ASP C C -0.756 -0.856 -1.283 1.00 . A A . 4 ASP C 1 1
9 1769 1 1 5 ASP CA C -2.140 -1.413 -0.764 1.00 . A A . 4 ASP CA 1 1
9 1770 1 1 5 ASP CB C -2.520 -2.797 -1.366 1.00 . A A . 4 ASP CB 1 1
9 1771 1 1 5 ASP CG C -1.836 -4.023 -0.743 1.00 . A A . 4 ASP CG 1 1
9 1772 1 1 5 ASP H H -3.861 -0.577 -1.879 1.00 . A A . 4 ASP H 1 1
9 1773 1 1 5 ASP HA H -2.034 -1.541 0.330 1.00 . A A . 4 ASP HA 1 1
9 1774 1 1 5 ASP HB2 H -3.604 -2.999 -1.276 1.00 . A A . 4 ASP HB2 1 1
9 1775 1 1 5 ASP HB3 H -2.343 -2.796 -2.460 1.00 . A A . 4 ASP HB3 1 1
9 1776 1 1 5 ASP N N -3.317 -0.523 -1.007 1.00 . A A . 4 ASP N 1 1
9 1777 1 1 5 ASP O O 0.302 -1.366 -0.917 1.00 . A A . 4 ASP O 1 1
9 1778 1 1 5 ASP OD1 O -1.667 -5.022 -1.473 1.00 . A A . 4 ASP OD1 1 1
9 1779 1 1 5 ASP OD2 O -1.513 -4.026 0.472 1.00 . A A . 4 ASP OD2 1 1
9 1780 1 1 6 THR C C 0.610 2.432 -1.989 1.00 . A A . 5 THR C 1 1
9 1781 1 1 6 THR CA C 0.427 0.974 -2.570 1.00 . A A . 5 THR CA 1 1
9 1782 1 1 6 THR CB C 0.420 0.881 -4.130 1.00 . A A . 5 THR CB 1 1
9 1783 1 1 6 THR CG2 C -0.797 1.521 -4.834 1.00 . A A . 5 THR CG2 1 1
9 1784 1 1 6 THR H H -1.726 0.513 -2.325 1.00 . A A . 5 THR H 1 1
9 1785 1 1 6 THR HA H 1.328 0.456 -2.221 1.00 . A A . 5 THR HA 1 1
9 1786 1 1 6 THR HB H 0.441 -0.194 -4.403 1.00 . A A . 5 THR HB 1 1
9 1787 1 1 6 THR HG1 H 1.507 1.404 -5.627 1.00 . A A . 5 THR HG1 1 1
9 1788 1 1 6 THR HG21 H -1.120 2.456 -4.337 1.00 . A A . 5 THR HG21 1 1
9 1789 1 1 6 THR HG22 H -0.609 1.763 -5.895 1.00 . A A . 5 THR HG22 1 1
9 1790 1 1 6 THR HG23 H -1.666 0.836 -4.811 1.00 . A A . 5 THR HG23 1 1
9 1791 1 1 6 THR N N -0.772 0.212 -2.102 1.00 . A A . 5 THR N 1 1
9 1792 1 1 6 THR O O 1.518 3.162 -2.393 1.00 . A A . 5 THR O 1 1
9 1793 1 1 6 THR OG1 O 1.600 1.458 -4.673 1.00 . A A . 5 THR OG1 1 1
9 1794 1 1 7 VAL C C 0.653 4.009 1.053 1.00 . A A . 6 VAL C 1 1
9 1795 1 1 7 VAL CA C -0.108 4.159 -0.302 1.00 . A A . 6 VAL CA 1 1
9 1796 1 1 7 VAL CB C -1.551 4.796 -0.237 1.00 . A A . 6 VAL CB 1 1
9 1797 1 1 7 VAL CG1 C -1.874 5.666 1.003 1.00 . A A . 6 VAL CG1 1 1
9 1798 1 1 7 VAL CG2 C -1.831 5.639 -1.501 1.00 . A A . 6 VAL CG2 1 1
9 1799 1 1 7 VAL H H -0.854 2.100 -0.714 1.00 . A A . 6 VAL H 1 1
9 1800 1 1 7 VAL HA H 0.534 4.849 -0.886 1.00 . A A . 6 VAL HA 1 1
9 1801 1 1 7 VAL HB H -2.304 3.983 -0.221 1.00 . A A . 6 VAL HB 1 1
9 1802 1 1 7 VAL HG11 H -1.083 6.411 1.210 1.00 . A A . 6 VAL HG11 1 1
9 1803 1 1 7 VAL HG12 H -2.830 6.213 0.908 1.00 . A A . 6 VAL HG12 1 1
9 1804 1 1 7 VAL HG13 H -1.969 5.040 1.911 1.00 . A A . 6 VAL HG13 1 1
9 1805 1 1 7 VAL HG21 H -2.874 6.001 -1.536 1.00 . A A . 6 VAL HG21 1 1
9 1806 1 1 7 VAL HG22 H -1.172 6.527 -1.556 1.00 . A A . 6 VAL HG22 1 1
9 1807 1 1 7 VAL HG23 H -1.663 5.055 -2.426 1.00 . A A . 6 VAL HG23 1 1
9 1808 1 1 7 VAL N N -0.211 2.842 -1.009 1.00 . A A . 6 VAL N 1 1
9 1809 1 1 7 VAL O O 1.669 4.674 1.269 1.00 . A A . 6 VAL O 1 1
9 1810 1 1 8 GLN C C 2.164 1.962 3.103 1.00 . A A . 7 GLN C 1 1
9 1811 1 1 8 GLN CA C 0.867 2.822 3.229 1.00 . A A . 7 GLN CA 1 1
9 1812 1 1 8 GLN CB C -0.168 2.169 4.196 1.00 . A A . 7 GLN CB 1 1
9 1813 1 1 8 GLN CD C -1.119 2.459 6.577 1.00 . A A . 7 GLN CD 1 1
9 1814 1 1 8 GLN CG C -0.732 3.145 5.261 1.00 . A A . 7 GLN CG 1 1
9 1815 1 1 8 GLN H H -0.628 2.593 1.613 1.00 . A A . 7 GLN H 1 1
9 1816 1 1 8 GLN HA H 1.229 3.773 3.669 1.00 . A A . 7 GLN HA 1 1
9 1817 1 1 8 GLN HB2 H -1.015 1.699 3.652 1.00 . A A . 7 GLN HB2 1 1
9 1818 1 1 8 GLN HB3 H 0.294 1.300 4.706 1.00 . A A . 7 GLN HB3 1 1
9 1819 1 1 8 GLN HE21 H 0.230 3.549 7.563 1.00 . A A . 7 GLN HE21 1 1
9 1820 1 1 8 GLN HE22 H -0.741 2.299 8.506 1.00 . A A . 7 GLN HE22 1 1
9 1821 1 1 8 GLN HG2 H -0.007 3.958 5.462 1.00 . A A . 7 GLN HG2 1 1
9 1822 1 1 8 GLN HG3 H -1.622 3.664 4.860 1.00 . A A . 7 GLN HG3 1 1
9 1823 1 1 8 GLN N N 0.160 3.149 1.960 1.00 . A A . 7 GLN N 1 1
9 1824 1 1 8 GLN NE2 N -0.495 2.833 7.669 1.00 . A A . 7 GLN NE2 1 1
9 1825 1 1 8 GLN O O 3.053 2.071 3.950 1.00 . A A . 7 GLN O 1 1
9 1826 1 1 8 GLN OE1 O -1.962 1.570 6.634 1.00 . A A . 7 GLN OE1 1 1
9 1827 1 1 9 ARG C C 3.426 -0.351 0.438 1.00 . A A . 8 ARG C 1 1
9 1828 1 1 9 ARG CA C 3.365 0.123 1.932 1.00 . A A . 8 ARG CA 1 1
9 1829 1 1 9 ARG CB C 3.247 -1.021 2.983 1.00 . A A . 8 ARG CB 1 1
9 1830 1 1 9 ARG CD C 2.260 -3.350 2.666 1.00 . A A . 8 ARG CD 1 1
9 1831 1 1 9 ARG CG C 1.947 -1.879 2.947 1.00 . A A . 8 ARG CG 1 1
9 1832 1 1 9 ARG CZ C 0.978 -5.487 2.683 1.00 . A A . 8 ARG CZ 1 1
9 1833 1 1 9 ARG H H 1.472 1.144 1.426 1.00 . A A . 8 ARG H 1 1
9 1834 1 1 9 ARG HA H 4.321 0.638 2.148 1.00 . A A . 8 ARG HA 1 1
9 1835 1 1 9 ARG HB2 H 4.151 -1.653 2.889 1.00 . A A . 8 ARG HB2 1 1
9 1836 1 1 9 ARG HB3 H 3.351 -0.582 3.994 1.00 . A A . 8 ARG HB3 1 1
9 1837 1 1 9 ARG HD2 H 2.788 -3.435 1.693 1.00 . A A . 8 ARG HD2 1 1
9 1838 1 1 9 ARG HD3 H 2.961 -3.713 3.445 1.00 . A A . 8 ARG HD3 1 1
9 1839 1 1 9 ARG HE H 0.103 -3.728 2.430 1.00 . A A . 8 ARG HE 1 1
9 1840 1 1 9 ARG HG2 H 1.392 -1.763 3.899 1.00 . A A . 8 ARG HG2 1 1
9 1841 1 1 9 ARG HG3 H 1.251 -1.500 2.167 1.00 . A A . 8 ARG HG3 1 1
9 1842 1 1 9 ARG HH11 H -0.193 -7.088 2.703 1.00 . A A . 8 ARG HH11 1 1
9 1843 1 1 9 ARG HH12 H -0.981 -5.452 2.485 1.00 . A A . 8 ARG HH12 1 1
9 1844 1 1 9 ARG HH21 H 1.956 -7.250 2.748 1.00 . A A . 8 ARG HH21 1 1
9 1845 1 1 9 ARG HH22 H 2.918 -5.692 2.686 1.00 . A A . 8 ARG HH22 1 1
9 1846 1 1 9 ARG N N 2.246 1.079 2.096 1.00 . A A . 8 ARG N 1 1
9 1847 1 1 9 ARG NE N 1.015 -4.159 2.626 1.00 . A A . 8 ARG NE 1 1
9 1848 1 1 9 ARG NH1 N -0.182 -6.068 2.661 1.00 . A A . 8 ARG NH1 1 1
9 1849 1 1 9 ARG NH2 N 2.054 -6.235 2.751 1.00 . A A . 8 ARG NH2 1 1
9 1850 1 1 9 ARG O O 2.970 -1.461 0.148 1.00 . A A . 8 ARG O 1 1
9 1851 1 1 10 PRO C C 5.103 -1.272 -2.132 1.00 . A A . 9 PRO C 1 1
9 1852 1 1 10 PRO CA C 4.103 -0.094 -1.954 1.00 . A A . 9 PRO CA 1 1
9 1853 1 1 10 PRO CB C 4.485 1.211 -2.690 1.00 . A A . 9 PRO CB 1 1
9 1854 1 1 10 PRO CD C 4.560 1.751 -0.351 1.00 . A A . 9 PRO CD 1 1
9 1855 1 1 10 PRO CG C 5.292 2.012 -1.668 1.00 . A A . 9 PRO CG 1 1
9 1856 1 1 10 PRO HA H 3.133 -0.471 -2.321 1.00 . A A . 9 PRO HA 1 1
9 1857 1 1 10 PRO HB2 H 5.037 1.051 -3.635 1.00 . A A . 9 PRO HB2 1 1
9 1858 1 1 10 PRO HB3 H 3.572 1.773 -2.965 1.00 . A A . 9 PRO HB3 1 1
9 1859 1 1 10 PRO HD2 H 5.263 1.801 0.502 1.00 . A A . 9 PRO HD2 1 1
9 1860 1 1 10 PRO HD3 H 3.760 2.499 -0.183 1.00 . A A . 9 PRO HD3 1 1
9 1861 1 1 10 PRO HG2 H 6.329 1.623 -1.613 1.00 . A A . 9 PRO HG2 1 1
9 1862 1 1 10 PRO HG3 H 5.359 3.086 -1.916 1.00 . A A . 9 PRO HG3 1 1
9 1863 1 1 10 PRO N N 3.981 0.405 -0.556 1.00 . A A . 9 PRO N 1 1
9 1864 1 1 10 PRO O O 5.792 -1.707 -1.200 1.00 . A A . 9 PRO O 1 1
9 1865 1 1 11 LYS C C 7.795 -1.996 -3.871 1.00 . A A . 10 LYS C 1 1
9 1866 1 1 11 LYS CA C 6.364 -2.658 -3.750 1.00 . A A . 10 LYS CA 1 1
9 1867 1 1 11 LYS CB C 5.906 -3.470 -5.004 1.00 . A A . 10 LYS CB 1 1
9 1868 1 1 11 LYS CD C 5.782 -5.889 -5.927 1.00 . A A . 10 LYS CD 1 1
9 1869 1 1 11 LYS CE C 4.493 -6.501 -6.504 1.00 . A A . 10 LYS CE 1 1
9 1870 1 1 11 LYS CG C 5.590 -4.956 -4.705 1.00 . A A . 10 LYS CG 1 1
9 1871 1 1 11 LYS H H 4.698 -1.229 -4.079 1.00 . A A . 10 LYS H 1 1
9 1872 1 1 11 LYS HA H 6.495 -3.375 -2.914 1.00 . A A . 10 LYS HA 1 1
9 1873 1 1 11 LYS HB2 H 5.035 -3.013 -5.515 1.00 . A A . 10 LYS HB2 1 1
9 1874 1 1 11 LYS HB3 H 6.694 -3.407 -5.778 1.00 . A A . 10 LYS HB3 1 1
9 1875 1 1 11 LYS HD2 H 6.304 -5.348 -6.743 1.00 . A A . 10 LYS HD2 1 1
9 1876 1 1 11 LYS HD3 H 6.510 -6.684 -5.668 1.00 . A A . 10 LYS HD3 1 1
9 1877 1 1 11 LYS HE2 H 3.729 -5.707 -6.663 1.00 . A A . 10 LYS HE2 1 1
9 1878 1 1 11 LYS HE3 H 4.703 -6.900 -7.522 1.00 . A A . 10 LYS HE3 1 1
9 1879 1 1 11 LYS HG2 H 6.250 -5.328 -3.896 1.00 . A A . 10 LYS HG2 1 1
9 1880 1 1 11 LYS HG3 H 4.572 -5.027 -4.271 1.00 . A A . 10 LYS HG3 1 1
9 1881 1 1 11 LYS HZ1 H 4.683 -8.334 -5.486 1.00 . A A . 10 LYS HZ1 1 1
9 1882 1 1 11 LYS HZ2 H 3.796 -7.236 -4.661 1.00 . A A . 10 LYS HZ2 1 1
9 1883 1 1 11 LYS HZ3 H 3.128 -8.030 -5.940 1.00 . A A . 10 LYS HZ3 1 1
9 1884 1 1 11 LYS N N 5.246 -1.741 -3.380 1.00 . A A . 10 LYS N 1 1
9 1885 1 1 11 LYS NZ N 3.993 -7.581 -5.610 1.00 . A A . 10 LYS NZ 1 1
9 1886 1 1 11 LYS O O 8.622 -2.404 -4.690 1.00 . A A . 10 LYS O 1 1
9 1887 1 1 12 GLY C C 9.950 -0.472 -1.254 1.00 . A A . 11 GLY C 1 1
9 1888 1 1 12 GLY CA C 9.486 -0.534 -2.735 1.00 . A A . 11 GLY CA 1 1
9 1889 1 1 12 GLY H H 7.331 -0.865 -2.328 1.00 . A A . 11 GLY H 1 1
9 1890 1 1 12 GLY HA2 H 10.243 -1.110 -3.301 1.00 . A A . 11 GLY HA2 1 1
9 1891 1 1 12 GLY HA3 H 9.550 0.492 -3.144 1.00 . A A . 11 GLY HA3 1 1
9 1892 1 1 12 GLY N N 8.106 -1.037 -2.984 1.00 . A A . 11 GLY N 1 1
9 1893 1 1 12 GLY O O 10.890 0.265 -0.955 1.00 . A A . 11 GLY O 1 1
9 1894 1 1 13 TYR C C 9.881 -2.751 1.549 1.00 . A A . 12 TYR C 1 1
9 1895 1 1 13 TYR CA C 9.657 -1.270 1.107 1.00 . A A . 12 TYR CA 1 1
9 1896 1 1 13 TYR CB C 8.559 -0.498 1.917 1.00 . A A . 12 TYR CB 1 1
9 1897 1 1 13 TYR CD1 C 9.215 1.068 3.808 1.00 . A A . 12 TYR CD1 1 1
9 1898 1 1 13 TYR CD2 C 9.121 1.964 1.566 1.00 . A A . 12 TYR CD2 1 1
9 1899 1 1 13 TYR CE1 C 9.574 2.327 4.296 1.00 . A A . 12 TYR CE1 1 1
9 1900 1 1 13 TYR CE2 C 9.490 3.219 2.056 1.00 . A A . 12 TYR CE2 1 1
9 1901 1 1 13 TYR CG C 8.983 0.883 2.441 1.00 . A A . 12 TYR CG 1 1
9 1902 1 1 13 TYR CZ C 9.706 3.397 3.418 1.00 . A A . 12 TYR CZ 1 1
9 1903 1 1 13 TYR H H 8.541 -1.772 -0.738 1.00 . A A . 12 TYR H 1 1
9 1904 1 1 13 TYR HA H 10.639 -0.782 1.282 1.00 . A A . 12 TYR HA 1 1
9 1905 1 1 13 TYR HB2 H 7.624 -0.386 1.332 1.00 . A A . 12 TYR HB2 1 1
9 1906 1 1 13 TYR HB3 H 8.225 -1.110 2.777 1.00 . A A . 12 TYR HB3 1 1
9 1907 1 1 13 TYR HD1 H 9.115 0.246 4.501 1.00 . A A . 12 TYR HD1 1 1
9 1908 1 1 13 TYR HD2 H 8.954 1.838 0.507 1.00 . A A . 12 TYR HD2 1 1
9 1909 1 1 13 TYR HE1 H 9.747 2.457 5.353 1.00 . A A . 12 TYR HE1 1 1
9 1910 1 1 13 TYR HE2 H 9.606 4.053 1.379 1.00 . A A . 12 TYR HE2 1 1
9 1911 1 1 13 TYR HH H 9.927 4.641 4.849 1.00 . A A . 12 TYR HH 1 1
9 1912 1 1 13 TYR N N 9.319 -1.234 -0.343 1.00 . A A . 12 TYR N 1 1
9 1913 1 1 13 TYR O O 11.007 -3.199 1.739 1.00 . A A . 12 TYR O 1 1
9 1914 1 1 13 TYR OH O 10.025 4.642 3.895 1.00 . A A . 12 TYR OH 1 1
9 1915 1 1 14 NH2 HN1 H 9.140 -4.515 2.041 1.00 . A A . 13 NH2 HN1 1 1
9 1916 1 1 14 NH2 HN2 H 7.923 -3.199 1.605 1.00 . A A . 13 NH2 HN2 1 1
9 1917 1 1 14 NH2 N N 8.864 -3.581 1.728 1.00 . A A . 13 NH2 N 1 1
10 1918 1 1 1 ACE C C -10.386 -3.633 -0.142 1.00 . A A . 0 ACE C 1 1
10 1919 1 1 1 ACE CH3 C -11.447 -4.525 -0.757 1.00 . A A . 0 ACE CH3 1 1
10 1920 1 1 1 ACE H1 H -11.183 -4.912 -1.760 1.00 . A A . 0 ACE H1 1 1
10 1921 1 1 1 ACE H2 H -11.639 -5.391 -0.100 1.00 . A A . 0 ACE H2 1 1
10 1922 1 1 1 ACE H3 H -12.393 -3.966 -0.856 1.00 . A A . 0 ACE H3 1 1
10 1923 1 1 1 ACE O O -10.641 -2.968 0.859 1.00 . A A . 0 ACE O 1 1
10 1924 1 1 2 ARG C C -7.357 -2.155 -1.556 1.00 . A A . 1 ARG C 1 1
10 1925 1 1 2 ARG CA C -8.058 -2.793 -0.308 1.00 . A A . 1 ARG CA 1 1
10 1926 1 1 2 ARG CB C -7.136 -3.625 0.641 1.00 . A A . 1 ARG CB 1 1
10 1927 1 1 2 ARG CD C -6.589 -2.799 3.056 1.00 . A A . 1 ARG CD 1 1
10 1928 1 1 2 ARG CG C -7.563 -3.568 2.138 1.00 . A A . 1 ARG CG 1 1
10 1929 1 1 2 ARG CZ C -4.785 -3.425 4.677 1.00 . A A . 1 ARG CZ 1 1
10 1930 1 1 2 ARG H H -9.178 -4.185 -1.616 1.00 . A A . 1 ARG H 1 1
10 1931 1 1 2 ARG HA H -8.415 -1.931 0.289 1.00 . A A . 1 ARG HA 1 1
10 1932 1 1 2 ARG HB2 H -7.091 -4.679 0.303 1.00 . A A . 1 ARG HB2 1 1
10 1933 1 1 2 ARG HB3 H -6.084 -3.294 0.534 1.00 . A A . 1 ARG HB3 1 1
10 1934 1 1 2 ARG HD2 H -5.985 -2.075 2.470 1.00 . A A . 1 ARG HD2 1 1
10 1935 1 1 2 ARG HD3 H -7.175 -2.183 3.772 1.00 . A A . 1 ARG HD3 1 1
10 1936 1 1 2 ARG HE H -5.881 -4.764 3.698 1.00 . A A . 1 ARG HE 1 1
10 1937 1 1 2 ARG HG2 H -8.556 -3.085 2.231 1.00 . A A . 1 ARG HG2 1 1
10 1938 1 1 2 ARG HG3 H -7.777 -4.589 2.509 1.00 . A A . 1 ARG HG3 1 1
10 1939 1 1 2 ARG HH11 H -3.486 -4.109 6.016 1.00 . A A . 1 ARG HH11 1 1
10 1940 1 1 2 ARG HH12 H -4.509 -5.334 5.136 1.00 . A A . 1 ARG HH12 1 1
10 1941 1 1 2 ARG HH21 H -3.695 -2.014 5.612 1.00 . A A . 1 ARG HH21 1 1
10 1942 1 1 2 ARG HH22 H -4.934 -1.495 4.369 1.00 . A A . 1 ARG HH22 1 1
10 1943 1 1 2 ARG N N -9.204 -3.634 -0.754 1.00 . A A . 1 ARG N 1 1
10 1944 1 1 2 ARG NE N -5.726 -3.758 3.796 1.00 . A A . 1 ARG NE 1 1
10 1945 1 1 2 ARG NH1 N -4.189 -4.382 5.326 1.00 . A A . 1 ARG NH1 1 1
10 1946 1 1 2 ARG NH2 N -4.429 -2.189 4.925 1.00 . A A . 1 ARG NH2 1 1
10 1947 1 1 2 ARG O O -6.302 -2.653 -1.965 1.00 . A A . 1 ARG O 1 1
10 1948 1 1 3 PRO C C -5.841 0.492 -2.731 1.00 . A A . 2 PRO C 1 1
10 1949 1 1 3 PRO CA C -7.104 -0.297 -3.230 1.00 . A A . 2 PRO CA 1 1
10 1950 1 1 3 PRO CB C -8.216 0.597 -3.813 1.00 . A A . 2 PRO CB 1 1
10 1951 1 1 3 PRO CD C -9.121 -0.364 -1.785 1.00 . A A . 2 PRO CD 1 1
10 1952 1 1 3 PRO CG C -9.129 0.916 -2.627 1.00 . A A . 2 PRO CG 1 1
10 1953 1 1 3 PRO HA H -6.762 -0.999 -4.015 1.00 . A A . 2 PRO HA 1 1
10 1954 1 1 3 PRO HB2 H -7.831 1.507 -4.313 1.00 . A A . 2 PRO HB2 1 1
10 1955 1 1 3 PRO HB3 H -8.787 0.039 -4.581 1.00 . A A . 2 PRO HB3 1 1
10 1956 1 1 3 PRO HD2 H -9.163 -0.117 -0.706 1.00 . A A . 2 PRO HD2 1 1
10 1957 1 1 3 PRO HD3 H -9.996 -1.002 -2.016 1.00 . A A . 2 PRO HD3 1 1
10 1958 1 1 3 PRO HG2 H -8.704 1.762 -2.057 1.00 . A A . 2 PRO HG2 1 1
10 1959 1 1 3 PRO HG3 H -10.147 1.224 -2.928 1.00 . A A . 2 PRO HG3 1 1
10 1960 1 1 3 PRO N N -7.861 -1.040 -2.176 1.00 . A A . 2 PRO N 1 1
10 1961 1 1 3 PRO O O -4.855 0.619 -3.462 1.00 . A A . 2 PRO O 1 1
10 1962 1 1 4 LEU C C -3.631 0.553 -0.219 1.00 . A A . 3 LEU C 1 1
10 1963 1 1 4 LEU CA C -4.683 1.581 -0.787 1.00 . A A . 3 LEU CA 1 1
10 1964 1 1 4 LEU CB C -5.247 2.537 0.312 1.00 . A A . 3 LEU CB 1 1
10 1965 1 1 4 LEU CD1 C -7.683 3.338 0.216 1.00 . A A . 3 LEU CD1 1 1
10 1966 1 1 4 LEU CD2 C -5.856 5.045 0.400 1.00 . A A . 3 LEU CD2 1 1
10 1967 1 1 4 LEU CG C -6.224 3.662 -0.159 1.00 . A A . 3 LEU CG 1 1
10 1968 1 1 4 LEU H H -6.718 0.723 -0.976 1.00 . A A . 3 LEU H 1 1
10 1969 1 1 4 LEU HA H -4.131 2.212 -1.514 1.00 . A A . 3 LEU HA 1 1
10 1970 1 1 4 LEU HB2 H -5.711 1.935 1.119 1.00 . A A . 3 LEU HB2 1 1
10 1971 1 1 4 LEU HB3 H -4.378 2.998 0.822 1.00 . A A . 3 LEU HB3 1 1
10 1972 1 1 4 LEU HD11 H -8.397 4.014 -0.291 1.00 . A A . 3 LEU HD11 1 1
10 1973 1 1 4 LEU HD12 H -7.965 2.307 -0.059 1.00 . A A . 3 LEU HD12 1 1
10 1974 1 1 4 LEU HD13 H -7.865 3.424 1.303 1.00 . A A . 3 LEU HD13 1 1
10 1975 1 1 4 LEU HD21 H -4.781 5.259 0.282 1.00 . A A . 3 LEU HD21 1 1
10 1976 1 1 4 LEU HD22 H -6.397 5.849 -0.132 1.00 . A A . 3 LEU HD22 1 1
10 1977 1 1 4 LEU HD23 H -6.095 5.143 1.476 1.00 . A A . 3 LEU HD23 1 1
10 1978 1 1 4 LEU HG H -6.163 3.739 -1.264 1.00 . A A . 3 LEU HG 1 1
10 1979 1 1 4 LEU N N -5.852 0.959 -1.469 1.00 . A A . 3 LEU N 1 1
10 1980 1 1 4 LEU O O -3.052 0.754 0.854 1.00 . A A . 3 LEU O 1 1
10 1981 1 1 5 ASP C C -0.756 -0.834 -1.266 1.00 . A A . 4 ASP C 1 1
10 1982 1 1 5 ASP CA C -2.138 -1.394 -0.743 1.00 . A A . 4 ASP CA 1 1
10 1983 1 1 5 ASP CB C -2.518 -2.784 -1.334 1.00 . A A . 4 ASP CB 1 1
10 1984 1 1 5 ASP CG C -1.903 -4.022 -0.662 1.00 . A A . 4 ASP CG 1 1
10 1985 1 1 5 ASP H H -3.837 -0.535 -1.876 1.00 . A A . 4 ASP H 1 1
10 1986 1 1 5 ASP HA H -2.027 -1.518 0.351 1.00 . A A . 4 ASP HA 1 1
10 1987 1 1 5 ASP HB2 H -3.611 -2.957 -1.280 1.00 . A A . 4 ASP HB2 1 1
10 1988 1 1 5 ASP HB3 H -2.300 -2.813 -2.419 1.00 . A A . 4 ASP HB3 1 1
10 1989 1 1 5 ASP N N -3.314 -0.504 -0.989 1.00 . A A . 4 ASP N 1 1
10 1990 1 1 5 ASP O O 0.305 -1.339 -0.902 1.00 . A A . 4 ASP O 1 1
10 1991 1 1 5 ASP OD1 O -2.200 -5.134 -1.145 1.00 . A A . 4 ASP OD1 1 1
10 1992 1 1 5 ASP OD2 O -1.181 -3.920 0.363 1.00 . A A . 4 ASP OD2 1 1
10 1993 1 1 6 THR C C 0.619 2.450 -1.998 1.00 . A A . 5 THR C 1 1
10 1994 1 1 6 THR CA C 0.426 0.990 -2.564 1.00 . A A . 5 THR CA 1 1
10 1995 1 1 6 THR CB C 0.417 0.883 -4.121 1.00 . A A . 5 THR CB 1 1
10 1996 1 1 6 THR CG2 C -0.799 1.518 -4.839 1.00 . A A . 5 THR CG2 1 1
10 1997 1 1 6 THR H H -1.729 0.526 -2.319 1.00 . A A . 5 THR H 1 1
10 1998 1 1 6 THR HA H 1.327 0.471 -2.215 1.00 . A A . 5 THR HA 1 1
10 1999 1 1 6 THR HB H 0.431 -0.197 -4.376 1.00 . A A . 5 THR HB 1 1
10 2000 1 1 6 THR HG1 H 1.700 1.087 -5.551 1.00 . A A . 5 THR HG1 1 1
10 2001 1 1 6 THR HG21 H -0.519 2.142 -5.707 1.00 . A A . 5 THR HG21 1 1
10 2002 1 1 6 THR HG22 H -1.494 0.739 -5.203 1.00 . A A . 5 THR HG22 1 1
10 2003 1 1 6 THR HG23 H -1.394 2.165 -4.166 1.00 . A A . 5 THR HG23 1 1
10 2004 1 1 6 THR N N -0.774 0.233 -2.086 1.00 . A A . 5 THR N 1 1
10 2005 1 1 6 THR O O 1.542 3.164 -2.397 1.00 . A A . 5 THR O 1 1
10 2006 1 1 6 THR OG1 O 1.613 1.436 -4.661 1.00 . A A . 5 THR OG1 1 1
10 2007 1 1 7 VAL C C 0.694 4.034 1.029 1.00 . A A . 6 VAL C 1 1
10 2008 1 1 7 VAL CA C -0.080 4.192 -0.320 1.00 . A A . 6 VAL CA 1 1
10 2009 1 1 7 VAL CB C -1.514 4.847 -0.235 1.00 . A A . 6 VAL CB 1 1
10 2010 1 1 7 VAL CG1 C -1.789 5.749 0.993 1.00 . A A . 6 VAL CG1 1 1
10 2011 1 1 7 VAL CG2 C -1.837 5.644 -1.522 1.00 . A A . 6 VAL CG2 1 1
10 2012 1 1 7 VAL H H -0.851 2.140 -0.728 1.00 . A A . 6 VAL H 1 1
10 2013 1 1 7 VAL HA H 0.567 4.873 -0.908 1.00 . A A . 6 VAL HA 1 1
10 2014 1 1 7 VAL HB H -2.273 4.041 -0.157 1.00 . A A . 6 VAL HB 1 1
10 2015 1 1 7 VAL HG11 H -1.058 6.573 1.084 1.00 . A A . 6 VAL HG11 1 1
10 2016 1 1 7 VAL HG12 H -2.798 6.198 0.970 1.00 . A A . 6 VAL HG12 1 1
10 2017 1 1 7 VAL HG13 H -1.745 5.170 1.934 1.00 . A A . 6 VAL HG13 1 1
10 2018 1 1 7 VAL HG21 H -2.125 4.969 -2.349 1.00 . A A . 6 VAL HG21 1 1
10 2019 1 1 7 VAL HG22 H -2.669 6.361 -1.392 1.00 . A A . 6 VAL HG22 1 1
10 2020 1 1 7 VAL HG23 H -0.970 6.234 -1.880 1.00 . A A . 6 VAL HG23 1 1
10 2021 1 1 7 VAL N N -0.207 2.878 -1.030 1.00 . A A . 6 VAL N 1 1
10 2022 1 1 7 VAL O O 1.708 4.699 1.251 1.00 . A A . 6 VAL O 1 1
10 2023 1 1 8 GLN C C 2.170 1.978 3.112 1.00 . A A . 7 GLN C 1 1
10 2024 1 1 8 GLN CA C 0.877 2.848 3.212 1.00 . A A . 7 GLN CA 1 1
10 2025 1 1 8 GLN CB C -0.209 2.217 4.144 1.00 . A A . 7 GLN CB 1 1
10 2026 1 1 8 GLN CD C 0.334 3.274 6.428 1.00 . A A . 7 GLN CD 1 1
10 2027 1 1 8 GLN CG C -0.677 3.160 5.278 1.00 . A A . 7 GLN CG 1 1
10 2028 1 1 8 GLN H H -0.587 2.616 1.573 1.00 . A A . 7 GLN H 1 1
10 2029 1 1 8 GLN HA H 1.229 3.799 3.660 1.00 . A A . 7 GLN HA 1 1
10 2030 1 1 8 GLN HB2 H -1.103 1.882 3.578 1.00 . A A . 7 GLN HB2 1 1
10 2031 1 1 8 GLN HB3 H 0.153 1.269 4.592 1.00 . A A . 7 GLN HB3 1 1
10 2032 1 1 8 GLN HE21 H 0.504 5.253 6.176 1.00 . A A . 7 GLN HE21 1 1
10 2033 1 1 8 GLN HE22 H 1.531 4.426 7.465 1.00 . A A . 7 GLN HE22 1 1
10 2034 1 1 8 GLN HG2 H -0.936 4.152 4.857 1.00 . A A . 7 GLN HG2 1 1
10 2035 1 1 8 GLN HG3 H -1.621 2.781 5.707 1.00 . A A . 7 GLN HG3 1 1
10 2036 1 1 8 GLN N N 0.198 3.170 1.928 1.00 . A A . 7 GLN N 1 1
10 2037 1 1 8 GLN NE2 N 0.815 4.454 6.734 1.00 . A A . 7 GLN NE2 1 1
10 2038 1 1 8 GLN O O 3.054 2.089 3.965 1.00 . A A . 7 GLN O 1 1
10 2039 1 1 8 GLN OE1 O 0.708 2.294 7.061 1.00 . A A . 7 GLN OE1 1 1
10 2040 1 1 9 ARG C C 3.437 -0.335 0.445 1.00 . A A . 8 ARG C 1 1
10 2041 1 1 9 ARG CA C 3.380 0.144 1.939 1.00 . A A . 8 ARG CA 1 1
10 2042 1 1 9 ARG CB C 3.262 -0.998 2.992 1.00 . A A . 8 ARG CB 1 1
10 2043 1 1 9 ARG CD C 2.274 -3.326 2.674 1.00 . A A . 8 ARG CD 1 1
10 2044 1 1 9 ARG CG C 1.960 -1.855 2.955 1.00 . A A . 8 ARG CG 1 1
10 2045 1 1 9 ARG CZ C 0.989 -5.458 2.798 1.00 . A A . 8 ARG CZ 1 1
10 2046 1 1 9 ARG H H 1.492 1.164 1.429 1.00 . A A . 8 ARG H 1 1
10 2047 1 1 9 ARG HA H 4.337 0.661 2.154 1.00 . A A . 8 ARG HA 1 1
10 2048 1 1 9 ARG HB2 H 4.166 -1.630 2.901 1.00 . A A . 8 ARG HB2 1 1
10 2049 1 1 9 ARG HB3 H 3.365 -0.557 4.003 1.00 . A A . 8 ARG HB3 1 1
10 2050 1 1 9 ARG HD2 H 2.797 -3.415 1.698 1.00 . A A . 8 ARG HD2 1 1
10 2051 1 1 9 ARG HD3 H 2.984 -3.681 3.449 1.00 . A A . 8 ARG HD3 1 1
10 2052 1 1 9 ARG HE H 0.140 -3.732 2.320 1.00 . A A . 8 ARG HE 1 1
10 2053 1 1 9 ARG HG2 H 1.407 -1.739 3.907 1.00 . A A . 8 ARG HG2 1 1
10 2054 1 1 9 ARG HG3 H 1.265 -1.477 2.175 1.00 . A A . 8 ARG HG3 1 1
10 2055 1 1 9 ARG HH11 H -0.181 -7.056 2.875 1.00 . A A . 8 ARG HH11 1 1
10 2056 1 1 9 ARG HH12 H -0.958 -5.439 2.507 1.00 . A A . 8 ARG HH12 1 1
10 2057 1 1 9 ARG HH21 H 1.961 -7.209 3.048 1.00 . A A . 8 ARG HH21 1 1
10 2058 1 1 9 ARG HH22 H 2.926 -5.659 2.914 1.00 . A A . 8 ARG HH22 1 1
10 2059 1 1 9 ARG N N 2.260 1.096 2.104 1.00 . A A . 8 ARG N 1 1
10 2060 1 1 9 ARG NE N 1.032 -4.138 2.639 1.00 . A A . 8 ARG NE 1 1
10 2061 1 1 9 ARG NH1 N -0.169 -6.041 2.762 1.00 . A A . 8 ARG NH1 1 1
10 2062 1 1 9 ARG NH2 N 2.058 -6.196 2.982 1.00 . A A . 8 ARG NH2 1 1
10 2063 1 1 9 ARG O O 2.977 -1.444 0.161 1.00 . A A . 8 ARG O 1 1
10 2064 1 1 10 PRO C C 5.100 -1.273 -2.124 1.00 . A A . 9 PRO C 1 1
10 2065 1 1 10 PRO CA C 4.105 -0.090 -1.950 1.00 . A A . 9 PRO CA 1 1
10 2066 1 1 10 PRO CB C 4.491 1.208 -2.694 1.00 . A A . 9 PRO CB 1 1
10 2067 1 1 10 PRO CD C 4.575 1.760 -0.358 1.00 . A A . 9 PRO CD 1 1
10 2068 1 1 10 PRO CG C 5.304 2.010 -1.677 1.00 . A A . 9 PRO CG 1 1
10 2069 1 1 10 PRO HA H 3.132 -0.464 -2.310 1.00 . A A . 9 PRO HA 1 1
10 2070 1 1 10 PRO HB2 H 5.041 1.040 -3.640 1.00 . A A . 9 PRO HB2 1 1
10 2071 1 1 10 PRO HB3 H 3.580 1.772 -2.971 1.00 . A A . 9 PRO HB3 1 1
10 2072 1 1 10 PRO HD2 H 5.278 1.811 0.494 1.00 . A A . 9 PRO HD2 1 1
10 2073 1 1 10 PRO HD3 H 3.777 2.512 -0.192 1.00 . A A . 9 PRO HD3 1 1
10 2074 1 1 10 PRO HG2 H 6.339 1.617 -1.624 1.00 . A A . 9 PRO HG2 1 1
10 2075 1 1 10 PRO HG3 H 5.375 3.083 -1.933 1.00 . A A . 9 PRO HG3 1 1
10 2076 1 1 10 PRO N N 3.989 0.416 -0.554 1.00 . A A . 9 PRO N 1 1
10 2077 1 1 10 PRO O O 5.791 -1.704 -1.192 1.00 . A A . 9 PRO O 1 1
10 2078 1 1 11 LYS C C 7.778 -2.033 -3.870 1.00 . A A . 10 LYS C 1 1
10 2079 1 1 11 LYS CA C 6.342 -2.682 -3.736 1.00 . A A . 10 LYS CA 1 1
10 2080 1 1 11 LYS CB C 5.865 -3.508 -4.974 1.00 . A A . 10 LYS CB 1 1
10 2081 1 1 11 LYS CD C 5.910 -5.936 -5.867 1.00 . A A . 10 LYS CD 1 1
10 2082 1 1 11 LYS CE C 4.754 -6.063 -6.884 1.00 . A A . 10 LYS CE 1 1
10 2083 1 1 11 LYS CG C 5.621 -5.009 -4.668 1.00 . A A . 10 LYS CG 1 1
10 2084 1 1 11 LYS H H 4.693 -1.237 -4.072 1.00 . A A . 10 LYS H 1 1
10 2085 1 1 11 LYS HA H 6.470 -3.388 -2.888 1.00 . A A . 10 LYS HA 1 1
10 2086 1 1 11 LYS HB2 H 4.954 -3.087 -5.447 1.00 . A A . 10 LYS HB2 1 1
10 2087 1 1 11 LYS HB3 H 6.615 -3.406 -5.781 1.00 . A A . 10 LYS HB3 1 1
10 2088 1 1 11 LYS HD2 H 6.824 -5.581 -6.386 1.00 . A A . 10 LYS HD2 1 1
10 2089 1 1 11 LYS HD3 H 6.235 -6.918 -5.467 1.00 . A A . 10 LYS HD3 1 1
10 2090 1 1 11 LYS HE2 H 3.937 -5.339 -6.662 1.00 . A A . 10 LYS HE2 1 1
10 2091 1 1 11 LYS HE3 H 5.111 -5.763 -7.895 1.00 . A A . 10 LYS HE3 1 1
10 2092 1 1 11 LYS HG2 H 6.279 -5.337 -3.839 1.00 . A A . 10 LYS HG2 1 1
10 2093 1 1 11 LYS HG3 H 4.597 -5.158 -4.268 1.00 . A A . 10 LYS HG3 1 1
10 2094 1 1 11 LYS HZ1 H 4.974 -8.136 -7.155 1.00 . A A . 10 LYS HZ1 1 1
10 2095 1 1 11 LYS HZ2 H 3.915 -7.758 -5.966 1.00 . A A . 10 LYS HZ2 1 1
10 2096 1 1 11 LYS HZ3 H 3.460 -7.618 -7.544 1.00 . A A . 10 LYS HZ3 1 1
10 2097 1 1 11 LYS N N 5.236 -1.750 -3.370 1.00 . A A . 10 LYS N 1 1
10 2098 1 1 11 LYS NZ N 4.242 -7.461 -6.895 1.00 . A A . 10 LYS NZ 1 1
10 2099 1 1 11 LYS O O 8.595 -2.448 -4.695 1.00 . A A . 10 LYS O 1 1
10 2100 1 1 12 GLY C C 9.948 -0.487 -1.267 1.00 . A A . 11 GLY C 1 1
10 2101 1 1 12 GLY CA C 9.482 -0.568 -2.749 1.00 . A A . 11 GLY CA 1 1
10 2102 1 1 12 GLY H H 7.328 -0.892 -2.328 1.00 . A A . 11 GLY H 1 1
10 2103 1 1 12 GLY HA2 H 10.236 -1.153 -3.309 1.00 . A A . 11 GLY HA2 1 1
10 2104 1 1 12 GLY HA3 H 9.548 0.452 -3.169 1.00 . A A . 11 GLY HA3 1 1
10 2105 1 1 12 GLY N N 8.100 -1.071 -2.987 1.00 . A A . 11 GLY N 1 1
10 2106 1 1 12 GLY O O 10.887 0.255 -0.978 1.00 . A A . 11 GLY O 1 1
10 2107 1 1 13 TYR C C 9.887 -2.745 1.551 1.00 . A A . 12 TYR C 1 1
10 2108 1 1 13 TYR CA C 9.662 -1.267 1.101 1.00 . A A . 12 TYR CA 1 1
10 2109 1 1 13 TYR CB C 8.567 -0.493 1.912 1.00 . A A . 12 TYR CB 1 1
10 2110 1 1 13 TYR CD1 C 9.013 1.995 1.573 1.00 . A A . 12 TYR CD1 1 1
10 2111 1 1 13 TYR CD2 C 9.365 1.046 3.766 1.00 . A A . 12 TYR CD2 1 1
10 2112 1 1 13 TYR CE1 C 9.394 3.247 2.060 1.00 . A A . 12 TYR CE1 1 1
10 2113 1 1 13 TYR CE2 C 9.739 2.300 4.252 1.00 . A A . 12 TYR CE2 1 1
10 2114 1 1 13 TYR CG C 8.998 0.888 2.428 1.00 . A A . 12 TYR CG 1 1
10 2115 1 1 13 TYR CZ C 9.749 3.397 3.393 1.00 . A A . 12 TYR CZ 1 1
10 2116 1 1 13 TYR H H 8.541 -1.783 -0.737 1.00 . A A . 12 TYR H 1 1
10 2117 1 1 13 TYR HA H 10.645 -0.777 1.268 1.00 . A A . 12 TYR HA 1 1
10 2118 1 1 13 TYR HB2 H 7.628 -0.386 1.331 1.00 . A A . 12 TYR HB2 1 1
10 2119 1 1 13 TYR HB3 H 8.238 -1.098 2.779 1.00 . A A . 12 TYR HB3 1 1
10 2120 1 1 13 TYR HD1 H 8.744 1.888 0.533 1.00 . A A . 12 TYR HD1 1 1
10 2121 1 1 13 TYR HD2 H 9.362 0.202 4.443 1.00 . A A . 12 TYR HD2 1 1
10 2122 1 1 13 TYR HE1 H 9.413 4.102 1.398 1.00 . A A . 12 TYR HE1 1 1
10 2123 1 1 13 TYR HE2 H 10.018 2.409 5.288 1.00 . A A . 12 TYR HE2 1 1
10 2124 1 1 13 TYR HH H 10.237 4.572 4.817 1.00 . A A . 12 TYR HH 1 1
10 2125 1 1 13 TYR N N 9.317 -1.240 -0.347 1.00 . A A . 12 TYR N 1 1
10 2126 1 1 13 TYR O O 11.015 -3.191 1.742 1.00 . A A . 12 TYR O 1 1
10 2127 1 1 13 TYR OH O 10.103 4.632 3.870 1.00 . A A . 12 TYR OH 1 1
10 2128 1 1 14 NH2 HN1 H 9.147 -4.507 2.054 1.00 . A A . 13 NH2 HN1 1 1
10 2129 1 1 14 NH2 HN2 H 7.930 -3.193 1.614 1.00 . A A . 13 NH2 HN2 1 1
10 2130 1 1 14 NH2 N N 8.872 -3.574 1.737 1.00 . A A . 13 NH2 N 1 1
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