NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
381826 |
1j8z   |
5110 | cing | 4-filtered-FRED | STAR | entry | full | 84 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1j8z
# This FRED archive file contains, for PDB entry <1j8z>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1j8z
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1j8z
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all other bound"
_Assembly.Molecular_mass 1406.67
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 $HCYS_BETA3_CYS_ANALOGUE_OF_HIV_GP41 A . 1 1
stop_
save_
save_HCYS_BETA3_CYS_ANALOGUE_OF_HIV_GP41
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "HCYS BETA3 CYS ANALOGUE OF HIV GP41"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XIWGXSGKLICTTA
_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 ILE . 1 1
3 TRP . 1 1
4 GLY . 1 1
5 BCX $BCX 1 1
6 SER . 1 1
7 GLY . 1 1
8 LYS . 1 1
9 LEU . 1 1
10 ILE . 1 1
11 CYS . 1 1
12 THR . 1 1
13 THR . 1 1
14 ALA . 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
ILE 2 2 1 1
TRP 3 3 1 1
GLY 4 4 1 1
BCX 5 5 1 1
SER 6 6 1 1
GLY 7 7 1 1
LYS 8 8 1 1
LEU 9 9 1 1
ILE 10 10 1 1
CYS 11 11 1 1
THR 12 12 1 1
THR 13 13 1 1
ALA 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_BCX
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID BCX
_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
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 ILE H . 2 ILE HN 1 1
1 1 2 1 1 2 ILE HA . 2 ILE HA 1 1
2 1 1 1 1 2 ILE H . 2 ILE HN 1 1
2 1 2 1 1 2 ILE HB . 2 ILE HB 1 1
3 1 1 1 1 2 ILE H . 2 ILE HN 1 1
3 1 2 1 1 3 TRP H . 3 TRP HN 1 1
4 1 1 1 1 2 ILE HA . 2 ILE HA 1 1
4 1 2 1 1 3 TRP H . 3 TRP HN 1 1
5 1 1 1 1 2 ILE HA . 2 ILE HA 1 1
5 1 2 1 1 3 TRP HD1 . 3 TRP HD1 1 1
6 1 1 1 1 2 ILE HB . 2 ILE HB 1 1
6 1 2 1 1 3 TRP H . 3 TRP HN 1 1
7 1 1 1 1 2 ILE HB . 2 ILE HB 1 1
7 1 2 1 1 3 TRP HD1 . 3 TRP HD1 1 1
8 1 1 1 1 2 ILE MG . 2 ILE QG2 1 1
8 1 2 1 1 3 TRP H . 3 TRP HN 1 1
9 1 1 1 1 2 ILE MG . 2 ILE QG2 1 1
9 1 2 1 1 3 TRP HD1 . 3 TRP HD1 1 1
10 1 1 1 1 2 ILE QG . 2 ILE QG1 1 1
10 1 2 1 1 3 TRP H . 3 TRP HN 1 1
11 1 1 1 1 2 ILE MD . 2 ILE QD1 1 1
11 1 2 1 1 3 TRP H . 3 TRP HN 1 1
12 1 1 1 1 2 ILE MD . 2 ILE QD1 1 1
12 1 2 1 1 3 TRP HD1 . 3 TRP HD1 1 1
13 1 1 1 1 3 TRP H . 3 TRP HN 1 1
13 1 2 1 1 3 TRP HA . 3 TRP HA 1 1
14 1 1 1 1 3 TRP H . 3 TRP HN 1 1
14 1 2 1 1 3 TRP QB . 3 TRP QB 1 1
15 1 1 1 1 3 TRP HA . 3 TRP HA 1 1
15 1 2 1 1 4 GLY QA . 4 GLY QA 1 1
16 1 1 1 1 4 GLY H . 4 GLY HN 1 1
16 1 2 1 1 4 GLY QA . 4 GLY QA 1 1
17 1 1 1 1 4 GLY QA . 4 GLY QA 1 1
17 1 2 1 1 5 BCX HA . 5 CYSB HA 1 1
18 1 1 1 1 5 BCX HA . 5 CYSB HA 1 1
18 1 2 1 1 6 SER H . 6 SER HN 1 1
19 1 1 1 1 5 BCX HA . 5 CYSB HA 1 1
19 1 2 1 1 11 CYS HA . 11 CYSS HA 1 1
20 1 1 1 1 6 SER H . 6 SER HN 1 1
20 1 2 1 1 6 SER HA . 6 SER HA 1 1
21 1 1 1 1 6 SER H . 6 SER HN 1 1
21 1 2 1 1 6 SER QB . 6 SER QB 1 1
22 1 1 1 1 6 SER H . 6 SER HN 1 1
22 1 2 1 1 6 SER HG . 6 SER HG 1 1
23 1 1 1 1 6 SER H . 6 SER HN 1 1
23 1 2 1 1 7 GLY H . 7 GLY HN 1 1
24 1 1 1 1 6 SER H . 6 SER HN 1 1
24 1 2 1 1 8 LYS H . 8 LYS HN 1 1
25 1 1 1 1 6 SER HA . 6 SER HA 1 1
25 1 2 1 1 7 GLY H . 7 GLY HN 1 1
26 1 1 1 1 6 SER HA . 6 SER HA 1 1
26 1 2 1 1 7 GLY QA . 7 GLY QA 1 1
27 1 1 1 1 6 SER HA . 6 SER HA 1 1
27 1 2 1 1 8 LYS H . 8 LYS HN 1 1
28 1 1 1 1 6 SER QB . 6 SER QB 1 1
28 1 2 1 1 7 GLY H . 7 GLY HN 1 1
29 1 1 1 1 6 SER HG . 6 SER HG 1 1
29 1 2 1 1 7 GLY H . 7 GLY HN 1 1
30 1 1 1 1 7 GLY H . 7 GLY HN 1 1
30 1 2 1 1 7 GLY QA . 7 GLY QA 1 1
31 1 1 1 1 7 GLY H . 7 GLY HN 1 1
31 1 2 1 1 8 LYS H . 8 LYS HN 1 1
32 1 1 1 1 7 GLY H . 7 GLY HN 1 1
32 1 2 1 1 9 LEU H . 9 LEU HN 1 1
33 1 1 1 1 7 GLY H . 7 GLY HN 1 1
33 1 2 1 1 9 LEU QB . 9 LEU QB 1 1
34 1 1 1 1 7 GLY QA . 7 GLY QA 1 1
34 1 2 1 1 8 LYS H . 8 LYS HN 1 1
35 1 1 1 1 8 LYS H . 8 LYS HN 1 1
35 1 2 1 1 8 LYS HA . 8 LYS HA 1 1
36 1 1 1 1 8 LYS H . 8 LYS HN 1 1
36 1 2 1 1 9 LEU QB . 9 LEU QB 1 1
37 1 1 1 1 8 LYS HA . 8 LYS HA 1 1
37 1 2 1 1 9 LEU H . 9 LEU HN 1 1
38 1 1 1 1 8 LYS QB . 8 LYS QB 1 1
38 1 2 1 1 9 LEU H . 9 LEU HN 1 1
39 1 1 1 1 8 LYS QD . 8 LYS QD 1 1
39 1 2 1 1 9 LEU H . 9 LEU HN 1 1
40 1 1 1 1 9 LEU H . 9 LEU HN 1 1
40 1 2 1 1 9 LEU HA . 9 LEU HA 1 1
41 1 1 1 1 9 LEU H . 9 LEU HN 1 1
41 1 2 1 1 10 ILE H . 10 ILE HN 1 1
42 1 1 1 1 9 LEU HA . 9 LEU HA 1 1
42 1 2 1 1 10 ILE H . 10 ILE HN 1 1
43 1 1 1 1 9 LEU QB . 9 LEU QB 1 1
43 1 2 1 1 10 ILE H . 10 ILE HN 1 1
44 1 1 1 1 9 LEU HG . 9 LEU HG 1 1
44 1 2 1 1 10 ILE H . 10 ILE HN 1 1
45 1 1 1 1 10 ILE H . 10 ILE HN 1 1
45 1 2 1 1 10 ILE HA . 10 ILE HA 1 1
46 1 1 1 1 10 ILE H . 10 ILE HN 1 1
46 1 2 1 1 10 ILE HB . 10 ILE HB 1 1
47 1 1 1 1 10 ILE H . 10 ILE HN 1 1
47 1 2 1 1 11 CYS H . 11 CYSS HN 1 1
48 1 1 1 1 10 ILE HA . 10 ILE HA 1 1
48 1 2 1 1 11 CYS H . 11 CYSS HN 1 1
49 1 1 1 1 10 ILE HA . 10 ILE HA 1 1
49 1 2 1 1 11 CYS HA . 11 CYSS HA 1 1
50 1 1 1 1 10 ILE HA . 10 ILE HA 1 1
50 1 2 1 1 11 CYS QB . 11 CYSS QB 1 1
51 1 1 1 1 10 ILE HB . 10 ILE HB 1 1
51 1 2 1 1 11 CYS H . 11 CYSS HN 1 1
52 1 1 1 1 10 ILE HB . 10 ILE HB 1 1
52 1 2 1 1 12 THR H . 12 THR HN 1 1
53 1 1 1 1 10 ILE MG . 10 ILE QG2 1 1
53 1 2 1 1 11 CYS H . 11 CYSS HN 1 1
54 1 1 1 1 10 ILE QG . 10 ILE QG1 1 1
54 1 2 1 1 11 CYS H . 11 CYSS HN 1 1
55 1 1 1 1 10 ILE MD . 10 ILE QD1 1 1
55 1 2 1 1 11 CYS H . 11 CYSS HN 1 1
56 1 1 1 1 10 ILE MD . 10 ILE QD1 1 1
56 1 2 1 1 11 CYS HA . 11 CYSS HA 1 1
57 1 1 1 1 10 ILE MD . 10 ILE QD1 1 1
57 1 2 1 1 12 THR H . 12 THR HN 1 1
58 1 1 1 1 10 ILE MD . 10 ILE QD1 1 1
58 1 2 1 1 12 THR HG1 . 12 THR HG1 1 1
59 1 1 1 1 11 CYS H . 11 CYSS HN 1 1
59 1 2 1 1 11 CYS HA . 11 CYSS HA 1 1
60 1 1 1 1 11 CYS H . 11 CYSS HN 1 1
60 1 2 1 1 11 CYS QB . 11 CYSS QB 1 1
61 1 1 1 1 11 CYS H . 11 CYSS HN 1 1
61 1 2 1 1 12 THR H . 12 THR HN 1 1
62 1 1 1 1 11 CYS H . 11 CYSS HN 1 1
62 1 2 1 1 12 THR MG . 12 THR QG2 1 1
63 1 1 1 1 11 CYS HA . 11 CYSS HA 1 1
63 1 2 1 1 12 THR H . 12 THR HN 1 1
64 1 1 1 1 11 CYS HA . 11 CYSS HA 1 1
64 1 2 1 1 12 THR MG . 12 THR QG2 1 1
65 1 1 1 1 11 CYS QB . 11 CYSS QB 1 1
65 1 2 1 1 12 THR H . 12 THR HN 1 1
66 1 1 1 1 12 THR H . 12 THR HN 1 1
66 1 2 1 1 12 THR HA . 12 THR HA 1 1
67 1 1 1 1 12 THR H . 12 THR HN 1 1
67 1 2 1 1 12 THR HB . 12 THR HB 1 1
68 1 1 1 1 12 THR HA . 12 THR HA 1 1
68 1 2 1 1 14 ALA H . 14 ALA HN 1 1
69 1 1 1 1 12 THR HB . 12 THR HB 1 1
69 1 2 1 1 13 THR H . 13 THR HN 1 1
70 1 1 1 1 12 THR MG . 12 THR QG2 1 1
70 1 2 1 1 13 THR H . 13 THR HN 1 1
71 1 1 1 1 12 THR HG1 . 12 THR HG1 1 1
71 1 2 1 1 13 THR H . 13 THR HN 1 1
72 1 1 1 1 12 THR HG1 . 12 THR HG1 1 1
72 1 2 1 1 13 THR HA . 13 THR HA 1 1
73 1 1 1 1 12 THR HG1 . 12 THR HG1 1 1
73 1 2 1 1 13 THR HG1 . 13 THR HG1 1 1
74 1 1 1 1 12 THR HG1 . 12 THR HG1 1 1
74 1 2 1 1 14 ALA H . 14 ALA HN 1 1
75 1 1 1 1 13 THR H . 13 THR HN 1 1
75 1 2 1 1 13 THR HA . 13 THR HA 1 1
76 1 1 1 1 13 THR H . 13 THR HN 1 1
76 1 2 1 1 13 THR HB . 13 THR HB 1 1
77 1 1 1 1 13 THR H . 13 THR HN 1 1
77 1 2 1 1 14 ALA H . 14 ALA HN 1 1
78 1 1 1 1 13 THR H . 13 THR HN 1 1
78 1 2 1 1 14 ALA MB . 14 ALA QB 1 1
79 1 1 1 1 13 THR HB . 13 THR HB 1 1
79 1 2 1 1 14 ALA H . 14 ALA HN 1 1
80 1 1 1 1 13 THR MG . 13 THR QG2 1 1
80 1 2 1 1 14 ALA H . 14 ALA HN 1 1
81 1 1 1 1 13 THR HG1 . 13 THR HG1 1 1
81 1 2 1 1 14 ALA H . 14 ALA HN 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.8 3.8 1 1
2 1 . . . . . . 2.8 3.8 1 1
3 1 . . . . . . 2.8 3.8 1 1
4 1 . . . . . . 1.8 2.8 1 1
5 1 . . . . . . 3.8 5.5 1 1
6 1 . . . . . . 3.2 4.2 1 1
7 1 . . . . . . 3.8 5.5 1 1
8 1 . . . . . . 3.8 8.0 1 1
9 1 . . . . . . 3.8 8.0 1 1
10 1 . . . . . . 3.8 8.0 1 1
11 1 . . . . . . 3.8 5.5 1 1
12 1 . . . . . . 3.8 8.0 1 1
13 1 . . . . . . 1.8 2.8 1 1
14 1 . . . . . . 2.4 3.58 1 1
15 1 . . . . . . 3.64 4.76 1 1
16 1 . . . . . . 2.46 3.49 1 1
17 1 . . . . . . 3.8 5.5 1 1
18 1 . . . . . . 2.8 3.8 1 1
19 1 . . . . . . 3.8 5.5 1 1
20 1 . . . . . . 2.8 3.8 1 1
21 1 . . . . . . 2.84 3.89 1 1
22 1 . . . . . . 3.8 5.5 1 1
23 1 . . . . . . 2.8 3.8 1 1
24 1 . . . . . . 3.8 5.5 1 1
25 1 . . . . . . 1.8 2.8 1 1
26 1 . . . . . . 3.8 5.5 1 1
27 1 . . . . . . 3.8 5.5 1 1
28 1 . . . . . . 3.33 4.51 1 1
29 1 . . . . . . 3.8 5.5 1 1
30 1 . . . . . . 2.3 3.49 1 1
31 1 . . . . . . 1.8 2.8 1 1
32 1 . . . . . . 3.8 5.5 1 1
33 1 . . . . . . 3.8 6.1 1 1
34 1 . . . . . . 2.74 3.88 1 1
35 1 . . . . . . 2.8 3.8 1 1
36 1 . . . . . . 3.8 5.5 1 1
37 1 . . . . . . 2.8 3.8 1 1
38 1 . . . . . . 2.8 3.8 1 1
39 1 . . . . . . 3.8 6.38 1 1
40 1 . . . . . . 2.8 3.8 1 1
41 1 . . . . . . 2.8 3.8 1 1
42 1 . . . . . . 2.2 3.3 1 1
43 1 . . . . . . 3.8 5.5 1 1
44 1 . . . . . . 3.8 5.5 1 1
45 1 . . . . . . 2.8 3.8 1 1
46 1 . . . . . . 2.8 3.8 1 1
47 1 . . . . . . 3.8 4.8 1 1
48 1 . . . . . . 1.8 2.8 1 1
49 1 . . . . . . 3.8 5.5 1 1
50 1 . . . . . . 3.59 5.16 1 1
51 1 . . . . . . 2.8 4.8 1 1
52 1 . . . . . . 3.8 5.5 1 1
53 1 . . . . . . 3.8 6.53 1 1
54 1 . . . . . . 3.8 6.38 1 1
55 1 . . . . . . 3.8 5.5 1 1
56 1 . . . . . . 3.8 6.4 1 1
57 1 . . . . . . 3.8 5.69 1 1
58 1 . . . . . . 3.8 6.53 1 1
59 1 . . . . . . 2.8 3.8 1 1
60 1 . . . . . . 2.65 3.83 1 1
61 1 . . . . . . 2.8 3.8 1 1
62 1 . . . . . . 3.8 6.53 1 1
63 1 . . . . . . 1.8 2.8 1 1
64 1 . . . . . . 3.8 6.22 1 1
65 1 . . . . . . 3.8 5.5 1 1
66 1 . . . . . . 1.8 2.8 1 1
67 1 . . . . . . 2.8 3.8 1 1
68 1 . . . . . . 3.8 5.5 1 1
69 1 . . . . . . 2.8 3.8 1 1
70 1 . . . . . . 3.8 5.5 1 1
71 1 . . . . . . 3.8 5.5 1 1
72 1 . . . . . . 3.8 5.5 1 1
73 1 . . . . . . 3.8 5.5 1 1
74 1 . . . . . . 3.8 5.5 1 1
75 1 . . . . . . 2.8 3.8 1 1
76 1 . . . . . . 2.8 3.8 1 1
77 1 . . . . . . 2.8 3.8 1 1
78 1 . . . . . . 3.8 6.53 1 1
79 1 . . . . . . 2.8 3.8 1 1
80 1 . . . . . . 3.8 5.5 1 1
81 1 . . . . . . 3.8 5.5 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "disulfide bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
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 5 BCX CB . 5 CYSB CB 1 2
1 1 2 1 1 11 CYS SG . 11 CYSS SG 1 2
2 1 1 1 1 5 BCX SG . 5 CYSB SG 1 2
2 1 2 1 1 11 CYS CB . 11 CYSS CB 1 2
3 1 1 1 1 5 BCX SG . 5 CYSB SG 1 2
3 1 2 1 1 11 CYS SG . 11 CYSS SG 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 3.0 3.1 1 2
2 1 . . . . . . 3.0 3.1 1 2
3 1 . . . . . . 2.0 2.1 1 2
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ACE C C -8.162 -4.739 -4.997 1.00 . A A . 1 ACE C 1 1
1 2 1 1 1 ACE CH3 C -7.831 -5.586 -6.222 1.00 . A A . 1 ACE CH3 1 1
1 3 1 1 1 ACE H1 H -7.636 -4.948 -7.103 1.00 . A A . 1 ACE H1 1 1
1 4 1 1 1 ACE H2 H -6.926 -6.199 -6.056 1.00 . A A . 1 ACE H2 1 1
1 5 1 1 1 ACE H3 H -8.664 -6.264 -6.485 1.00 . A A . 1 ACE H3 1 1
1 6 1 1 1 ACE O O -8.180 -3.509 -5.072 1.00 . A A . 1 ACE O 1 1
1 7 1 1 2 ILE C C -7.570 -5.129 -1.639 1.00 . A A . 2 ILE C 1 1
1 8 1 1 2 ILE CA C -8.765 -4.784 -2.577 1.00 . A A . 2 ILE CA 1 1
1 9 1 1 2 ILE CB C -10.153 -5.244 -2.015 1.00 . A A . 2 ILE CB 1 1
1 10 1 1 2 ILE CD1 C -11.703 -3.716 -3.516 1.00 . A A . 2 ILE CD1 1 1
1 11 1 1 2 ILE CG1 C -11.363 -5.124 -2.995 1.00 . A A . 2 ILE CG1 1 1
1 12 1 1 2 ILE CG2 C -10.508 -4.576 -0.660 1.00 . A A . 2 ILE CG2 1 1
1 13 1 1 2 ILE H H -8.253 -6.437 -3.950 1.00 . A A . 2 ILE H 1 1
1 14 1 1 2 ILE HA H -8.833 -3.682 -2.699 1.00 . A A . 2 ILE HA 1 1
1 15 1 1 2 ILE HB H -10.032 -6.318 -1.799 1.00 . A A . 2 ILE HB 1 1
1 16 1 1 2 ILE HD11 H -11.967 -3.024 -2.696 1.00 . A A . 2 ILE HD11 1 1
1 17 1 1 2 ILE HD12 H -10.860 -3.269 -4.073 1.00 . A A . 2 ILE HD12 1 1
1 18 1 1 2 ILE HD13 H -12.566 -3.747 -4.206 1.00 . A A . 2 ILE HD13 1 1
1 19 1 1 2 ILE HG12 H -11.187 -5.782 -3.867 1.00 . A A . 2 ILE HG12 1 1
1 20 1 1 2 ILE HG13 H -12.265 -5.551 -2.516 1.00 . A A . 2 ILE HG13 1 1
1 21 1 1 2 ILE HG21 H -9.748 -4.785 0.115 1.00 . A A . 2 ILE HG21 1 1
1 22 1 1 2 ILE HG22 H -10.588 -3.477 -0.746 1.00 . A A . 2 ILE HG22 1 1
1 23 1 1 2 ILE HG23 H -11.470 -4.945 -0.259 1.00 . A A . 2 ILE HG23 1 1
1 24 1 1 2 ILE N N -8.427 -5.430 -3.879 1.00 . A A . 2 ILE N 1 1
1 25 1 1 2 ILE O O -7.500 -6.207 -1.039 1.00 . A A . 2 ILE O 1 1
1 26 1 1 3 TRP C C -5.000 -2.903 -0.160 1.00 . A A . 3 TRP C 1 1
1 27 1 1 3 TRP CA C -5.397 -4.293 -0.741 1.00 . A A . 3 TRP CA 1 1
1 28 1 1 3 TRP CB C -4.209 -4.883 -1.564 1.00 . A A . 3 TRP CB 1 1
1 29 1 1 3 TRP CD1 C -4.802 -6.666 -3.393 1.00 . A A . 3 TRP CD1 1 1
1 30 1 1 3 TRP CD2 C -4.243 -7.507 -1.409 1.00 . A A . 3 TRP CD2 1 1
1 31 1 1 3 TRP CE2 C -4.575 -8.562 -2.297 1.00 . A A . 3 TRP CE2 1 1
1 32 1 1 3 TRP CE3 C -3.883 -7.786 -0.066 1.00 . A A . 3 TRP CE3 1 1
1 33 1 1 3 TRP CG C -4.384 -6.313 -2.091 1.00 . A A . 3 TRP CG 1 1
1 34 1 1 3 TRP CH2 C -4.182 -10.160 -0.524 1.00 . A A . 3 TRP CH2 1 1
1 35 1 1 3 TRP CZ2 C -4.545 -9.904 -1.848 1.00 . A A . 3 TRP CZ2 1 1
1 36 1 1 3 TRP CZ3 C -3.856 -9.117 0.353 1.00 . A A . 3 TRP CZ3 1 1
1 37 1 1 3 TRP H H -6.875 -3.345 -2.079 1.00 . A A . 3 TRP H 1 1
1 38 1 1 3 TRP HA H -5.621 -4.963 0.104 1.00 . A A . 3 TRP HA 1 1
1 39 1 1 3 TRP HB2 H -3.978 -4.211 -2.410 1.00 . A A . 3 TRP HB2 1 1
1 40 1 1 3 TRP HB3 H -3.290 -4.865 -0.949 1.00 . A A . 3 TRP HB3 1 1
1 41 1 1 3 TRP HD1 H -5.056 -5.955 -4.165 1.00 . A A . 3 TRP HD1 1 1
1 42 1 1 3 TRP HE1 H -5.229 -8.585 -4.368 1.00 . A A . 3 TRP HE1 1 1
1 43 1 1 3 TRP HE3 H -3.639 -6.989 0.623 1.00 . A A . 3 TRP HE3 1 1
1 44 1 1 3 TRP HH2 H -4.155 -11.180 -0.169 1.00 . A A . 3 TRP HH2 1 1
1 45 1 1 3 TRP HZ2 H -4.800 -10.715 -2.514 1.00 . A A . 3 TRP HZ2 1 1
1 46 1 1 3 TRP HZ3 H -3.584 -9.347 1.373 1.00 . A A . 3 TRP HZ3 1 1
1 47 1 1 3 TRP N N -6.631 -4.180 -1.558 1.00 . A A . 3 TRP N 1 1
1 48 1 1 3 TRP NE1 N -4.923 -8.061 -3.542 1.00 . A A . 3 TRP NE1 1 1
1 49 1 1 3 TRP O O -5.291 -1.849 -0.736 1.00 . A A . 3 TRP O 1 1
1 50 1 1 4 GLY C C -2.443 -1.244 1.147 1.00 . A A . 4 GLY C 1 1
1 51 1 1 4 GLY CA C -3.830 -1.684 1.658 1.00 . A A . 4 GLY CA 1 1
1 52 1 1 4 GLY H H -4.120 -3.854 1.373 1.00 . A A . 4 GLY H 1 1
1 53 1 1 4 GLY HA2 H -4.552 -0.855 1.522 1.00 . A A . 4 GLY HA2 1 1
1 54 1 1 4 GLY HA3 H -3.806 -1.851 2.753 1.00 . A A . 4 GLY HA3 1 1
1 55 1 1 4 GLY N N -4.303 -2.920 0.991 1.00 . A A . 4 GLY N 1 1
1 56 1 1 4 GLY O O -2.358 -0.421 0.230 1.00 . A A . 4 GLY O 1 1
1 57 1 1 5 BCX C C 2.091 -2.404 0.158 1.00 . A A . 5 BCX C 1 1
1 58 1 1 5 BCX CA C 0.020 -1.493 1.372 1.00 . A A . 5 BCX CA 1 1
1 59 1 1 5 BCX CB C 0.755 -0.883 2.591 1.00 . A A . 5 BCX CB 1 1
1 60 1 1 5 BCX CC C 0.724 -2.732 0.809 1.00 . A A . 5 BCX CC 1 1
1 61 1 1 5 BCX H H -1.605 -2.469 2.494 1.00 . A A . 5 BCX H 1 1
1 62 1 1 5 BCX HA H 0.064 -0.794 0.525 1.00 . A A . 5 BCX HA 1 1
1 63 1 1 5 BCX HB2 H 0.541 -1.440 3.525 1.00 . A A . 5 BCX HB2 1 1
1 64 1 1 5 BCX HB3 H 1.852 -0.928 2.465 1.00 . A A . 5 BCX HB3 1 1
1 65 1 1 5 BCX HC1 H 0.082 -3.171 0.018 1.00 . A A . 5 BCX HC1 1 1
1 66 1 1 5 BCX HC2 H 0.786 -3.512 1.592 1.00 . A A . 5 BCX HC2 1 1
1 67 1 1 5 BCX N N -1.379 -1.805 1.746 1.00 . A A . 5 BCX N 1 1
1 68 1 1 5 BCX O O 2.226 -1.477 -0.643 1.00 . A A . 5 BCX O 1 1
1 69 1 1 5 BCX SG S 0.309 0.855 2.767 1.00 . A A . 5 BCX SG 1 1
1 70 1 1 6 SER C C 3.661 -4.358 -1.763 1.00 . A A . 6 SER C 1 1
1 71 1 1 6 SER CA C 4.173 -3.545 -0.534 1.00 . A A . 6 SER CA 1 1
1 72 1 1 6 SER CB C 5.341 -4.186 0.249 1.00 . A A . 6 SER CB 1 1
1 73 1 1 6 SER H H 2.645 -4.017 1.014 1.00 . A A . 6 SER H 1 1
1 74 1 1 6 SER HA H 4.567 -2.569 -0.885 1.00 . A A . 6 SER HA 1 1
1 75 1 1 6 SER HB2 H 5.641 -3.535 1.095 1.00 . A A . 6 SER HB2 1 1
1 76 1 1 6 SER HB3 H 5.048 -5.154 0.696 1.00 . A A . 6 SER HB3 1 1
1 77 1 1 6 SER HG H 7.145 -4.796 -0.062 1.00 . A A . 6 SER HG 1 1
1 78 1 1 6 SER N N 3.042 -3.299 0.409 1.00 . A A . 6 SER N 1 1
1 79 1 1 6 SER O O 3.712 -5.591 -1.805 1.00 . A A . 6 SER O 1 1
1 80 1 1 6 SER OG O 6.470 -4.374 -0.598 1.00 . A A . 6 SER OG 1 1
1 81 1 1 7 GLY C C 1.496 -3.171 -4.538 1.00 . A A . 7 GLY C 1 1
1 82 1 1 7 GLY CA C 2.547 -4.157 -3.979 1.00 . A A . 7 GLY CA 1 1
1 83 1 1 7 GLY H H 3.054 -2.602 -2.516 1.00 . A A . 7 GLY H 1 1
1 84 1 1 7 GLY HA2 H 3.335 -4.341 -4.733 1.00 . A A . 7 GLY HA2 1 1
1 85 1 1 7 GLY HA3 H 2.064 -5.135 -3.791 1.00 . A A . 7 GLY HA3 1 1
1 86 1 1 7 GLY N N 3.155 -3.601 -2.749 1.00 . A A . 7 GLY N 1 1
1 87 1 1 7 GLY O O 1.574 -2.793 -5.709 1.00 . A A . 7 GLY O 1 1
1 88 1 1 8 LYS C C 0.031 -0.351 -4.041 1.00 . A A . 8 LYS C 1 1
1 89 1 1 8 LYS CA C -0.546 -1.802 -4.076 1.00 . A A . 8 LYS CA 1 1
1 90 1 1 8 LYS CB C -1.771 -2.024 -3.137 1.00 . A A . 8 LYS CB 1 1
1 91 1 1 8 LYS CD C -3.719 -1.549 -4.864 1.00 . A A . 8 LYS CD 1 1
1 92 1 1 8 LYS CE C -4.307 -2.968 -4.989 1.00 . A A . 8 LYS CE 1 1
1 93 1 1 8 LYS CG C -3.058 -1.240 -3.502 1.00 . A A . 8 LYS CG 1 1
1 94 1 1 8 LYS H H 0.633 -3.057 -2.725 1.00 . A A . 8 LYS H 1 1
1 95 1 1 8 LYS HA H -0.869 -2.020 -5.112 1.00 . A A . 8 LYS HA 1 1
1 96 1 1 8 LYS HB2 H -2.014 -3.099 -3.068 1.00 . A A . 8 LYS HB2 1 1
1 97 1 1 8 LYS HB3 H -1.492 -1.757 -2.094 1.00 . A A . 8 LYS HB3 1 1
1 98 1 1 8 LYS HD2 H -4.528 -0.811 -5.023 1.00 . A A . 8 LYS HD2 1 1
1 99 1 1 8 LYS HD3 H -2.995 -1.359 -5.679 1.00 . A A . 8 LYS HD3 1 1
1 100 1 1 8 LYS HE2 H -3.524 -3.731 -4.832 1.00 . A A . 8 LYS HE2 1 1
1 101 1 1 8 LYS HE3 H -5.071 -3.140 -4.208 1.00 . A A . 8 LYS HE3 1 1
1 102 1 1 8 LYS HG2 H -3.803 -1.395 -2.703 1.00 . A A . 8 LYS HG2 1 1
1 103 1 1 8 LYS HG3 H -2.836 -0.157 -3.457 1.00 . A A . 8 LYS HG3 1 1
1 104 1 1 8 LYS HZ1 H -5.684 -2.509 -6.458 1.00 . A A . 8 LYS HZ1 1 1
1 105 1 1 8 LYS HZ2 H -4.237 -2.984 -7.054 1.00 . A A . 8 LYS HZ2 1 1
1 106 1 1 8 LYS N N 0.509 -2.775 -3.702 1.00 . A A . 8 LYS N 1 1
1 107 1 1 8 LYS NZ N -4.920 -3.178 -6.312 1.00 . A A . 8 LYS NZ 1 1
1 108 1 1 8 LYS O O 0.189 0.267 -5.098 1.00 . A A . 8 LYS O 1 1
1 109 1 1 9 LEU C C 1.582 1.524 -1.247 1.00 . A A . 9 LEU C 1 1
1 110 1 1 9 LEU CA C 0.899 1.531 -2.641 1.00 . A A . 9 LEU CA 1 1
1 111 1 1 9 LEU CB C -0.276 2.540 -2.723 1.00 . A A . 9 LEU CB 1 1
1 112 1 1 9 LEU CD1 C 0.965 4.593 -3.680 1.00 . A A . 9 LEU CD1 1 1
1 113 1 1 9 LEU CD2 C -1.235 4.879 -2.475 1.00 . A A . 9 LEU CD2 1 1
1 114 1 1 9 LEU CG C 0.060 4.048 -2.557 1.00 . A A . 9 LEU CG 1 1
1 115 1 1 9 LEU H H 0.091 -0.400 -2.028 1.00 . A A . 9 LEU H 1 1
1 116 1 1 9 LEU HA H 1.620 1.756 -3.452 1.00 . A A . 9 LEU HA 1 1
1 117 1 1 9 LEU HB2 H -0.784 2.383 -3.694 1.00 . A A . 9 LEU HB2 1 1
1 118 1 1 9 LEU HB3 H -1.018 2.232 -1.959 1.00 . A A . 9 LEU HB3 1 1
1 119 1 1 9 LEU HD11 H 1.942 4.080 -3.703 1.00 . A A . 9 LEU HD11 1 1
1 120 1 1 9 LEU HD12 H 0.505 4.472 -4.679 1.00 . A A . 9 LEU HD12 1 1
1 121 1 1 9 LEU HD13 H 1.180 5.670 -3.545 1.00 . A A . 9 LEU HD13 1 1
1 122 1 1 9 LEU HD21 H -1.836 4.805 -3.401 1.00 . A A . 9 LEU HD21 1 1
1 123 1 1 9 LEU HD22 H -1.879 4.548 -1.639 1.00 . A A . 9 LEU HD22 1 1
1 124 1 1 9 LEU HD23 H -1.023 5.951 -2.305 1.00 . A A . 9 LEU HD23 1 1
1 125 1 1 9 LEU HG H 0.594 4.184 -1.596 1.00 . A A . 9 LEU HG 1 1
1 126 1 1 9 LEU N N 0.353 0.169 -2.837 1.00 . A A . 9 LEU N 1 1
1 127 1 1 9 LEU O O 0.898 1.421 -0.223 1.00 . A A . 9 LEU O 1 1
1 128 1 1 10 ILE C C 3.233 2.669 1.156 1.00 . A A . 10 ILE C 1 1
1 129 1 1 10 ILE CA C 3.718 1.649 0.065 1.00 . A A . 10 ILE CA 1 1
1 130 1 1 10 ILE CB C 5.269 1.703 -0.226 1.00 . A A . 10 ILE CB 1 1
1 131 1 1 10 ILE CD1 C 5.597 4.242 -0.803 1.00 . A A . 10 ILE CD1 1 1
1 132 1 1 10 ILE CG1 C 5.801 2.781 -1.220 1.00 . A A . 10 ILE CG1 1 1
1 133 1 1 10 ILE CG2 C 5.790 0.316 -0.678 1.00 . A A . 10 ILE CG2 1 1
1 134 1 1 10 ILE H H 3.386 1.622 -2.116 1.00 . A A . 10 ILE H 1 1
1 135 1 1 10 ILE HA H 3.523 0.648 0.503 1.00 . A A . 10 ILE HA 1 1
1 136 1 1 10 ILE HB H 5.792 1.895 0.731 1.00 . A A . 10 ILE HB 1 1
1 137 1 1 10 ILE HD11 H 5.968 4.433 0.220 1.00 . A A . 10 ILE HD11 1 1
1 138 1 1 10 ILE HD12 H 6.135 4.930 -1.482 1.00 . A A . 10 ILE HD12 1 1
1 139 1 1 10 ILE HD13 H 4.532 4.533 -0.837 1.00 . A A . 10 ILE HD13 1 1
1 140 1 1 10 ILE HG12 H 6.890 2.637 -1.362 1.00 . A A . 10 ILE HG12 1 1
1 141 1 1 10 ILE HG13 H 5.364 2.628 -2.225 1.00 . A A . 10 ILE HG13 1 1
1 142 1 1 10 ILE HG21 H 6.890 0.302 -0.794 1.00 . A A . 10 ILE HG21 1 1
1 143 1 1 10 ILE HG22 H 5.547 -0.472 0.059 1.00 . A A . 10 ILE HG22 1 1
1 144 1 1 10 ILE HG23 H 5.355 0.002 -1.645 1.00 . A A . 10 ILE HG23 1 1
1 145 1 1 10 ILE N N 2.921 1.656 -1.204 1.00 . A A . 10 ILE N 1 1
1 146 1 1 10 ILE O O 2.791 3.781 0.847 1.00 . A A . 10 ILE O 1 1
1 147 1 1 11 CYS C C 3.985 4.051 4.007 1.00 . A A . 11 CYS C 1 1
1 148 1 1 11 CYS CA C 2.855 3.063 3.594 1.00 . A A . 11 CYS CA 1 1
1 149 1 1 11 CYS CB C 2.451 2.118 4.753 1.00 . A A . 11 CYS CB 1 1
1 150 1 1 11 CYS H H 3.851 1.409 2.587 1.00 . A A . 11 CYS H 1 1
1 151 1 1 11 CYS HA H 1.935 3.621 3.321 1.00 . A A . 11 CYS HA 1 1
1 152 1 1 11 CYS HB2 H 3.148 1.265 4.864 1.00 . A A . 11 CYS HB2 1 1
1 153 1 1 11 CYS HB3 H 2.497 2.655 5.720 1.00 . A A . 11 CYS HB3 1 1
1 154 1 1 11 CYS N N 3.290 2.247 2.436 1.00 . A A . 11 CYS N 1 1
1 155 1 1 11 CYS O O 4.899 3.716 4.768 1.00 . A A . 11 CYS O 1 1
1 156 1 1 11 CYS SG S 0.753 1.507 4.608 1.00 . A A . 11 CYS SG 1 1
1 157 1 1 12 THR C C 4.745 6.894 5.213 1.00 . A A . 12 THR C 1 1
1 158 1 1 12 THR CA C 4.854 6.382 3.744 1.00 . A A . 12 THR CA 1 1
1 159 1 1 12 THR CB C 4.685 7.559 2.733 1.00 . A A . 12 THR CB 1 1
1 160 1 1 12 THR CG2 C 4.986 7.213 1.265 1.00 . A A . 12 THR CG2 1 1
1 161 1 1 12 THR H H 3.238 5.300 2.685 1.00 . A A . 12 THR H 1 1
1 162 1 1 12 THR HA H 5.867 5.970 3.567 1.00 . A A . 12 THR HA 1 1
1 163 1 1 12 THR HB H 5.394 8.359 3.019 1.00 . A A . 12 THR HB 1 1
1 164 1 1 12 THR HG1 H 3.159 8.134 3.744 1.00 . A A . 12 THR HG1 1 1
1 165 1 1 12 THR HG21 H 6.011 6.819 1.140 1.00 . A A . 12 THR HG21 1 1
1 166 1 1 12 THR HG22 H 4.286 6.454 0.871 1.00 . A A . 12 THR HG22 1 1
1 167 1 1 12 THR HG23 H 4.898 8.105 0.618 1.00 . A A . 12 THR HG23 1 1
1 168 1 1 12 THR N N 3.880 5.282 3.482 1.00 . A A . 12 THR N 1 1
1 169 1 1 12 THR O O 3.788 7.589 5.575 1.00 . A A . 12 THR O 1 1
1 170 1 1 12 THR OG1 O 3.369 8.101 2.806 1.00 . A A . 12 THR OG1 1 1
1 171 1 1 13 THR C C 7.271 7.203 7.823 1.00 . A A . 13 THR C 1 1
1 172 1 1 13 THR CA C 5.783 6.905 7.481 1.00 . A A . 13 THR CA 1 1
1 173 1 1 13 THR CB C 5.178 5.796 8.397 1.00 . A A . 13 THR CB 1 1
1 174 1 1 13 THR CG2 C 3.641 5.740 8.404 1.00 . A A . 13 THR CG2 1 1
1 175 1 1 13 THR H H 6.453 5.920 5.652 1.00 . A A . 13 THR H 1 1
1 176 1 1 13 THR HA H 5.191 7.829 7.653 1.00 . A A . 13 THR HA 1 1
1 177 1 1 13 THR HB H 5.501 6.008 9.429 1.00 . A A . 13 THR HB 1 1
1 178 1 1 13 THR HG1 H 5.382 4.363 7.136 1.00 . A A . 13 THR HG1 1 1
1 179 1 1 13 THR HG21 H 3.271 4.982 9.119 1.00 . A A . 13 THR HG21 1 1
1 180 1 1 13 THR HG22 H 3.198 6.709 8.698 1.00 . A A . 13 THR HG22 1 1
1 181 1 1 13 THR HG23 H 3.232 5.477 7.410 1.00 . A A . 13 THR HG23 1 1
1 182 1 1 13 THR N N 5.732 6.529 6.047 1.00 . A A . 13 THR N 1 1
1 183 1 1 13 THR O O 8.084 6.289 7.996 1.00 . A A . 13 THR O 1 1
1 184 1 1 13 THR OG1 O 5.660 4.501 8.048 1.00 . A A . 13 THR OG1 1 1
1 185 1 1 14 ALA C C 9.167 9.140 9.753 1.00 . A A . 14 ALA C 1 1
1 186 1 1 14 ALA CA C 8.983 8.964 8.229 1.00 . A A . 14 ALA CA 1 1
1 187 1 1 14 ALA CB C 9.249 10.276 7.467 1.00 . A A . 14 ALA CB 1 1
1 188 1 1 14 ALA H H 6.842 9.148 7.704 1.00 . A A . 14 ALA H 1 1
1 189 1 1 14 ALA HXT H 10.143 8.343 11.224 1.00 . A A . 14 ALA HXT 1 1
1 190 1 1 14 ALA HA H 9.725 8.228 7.861 1.00 . A A . 14 ALA HA 1 1
1 191 1 1 14 ALA HB1 H 8.553 11.084 7.763 1.00 . A A . 14 ALA HB1 1 1
1 192 1 1 14 ALA HB2 H 10.274 10.647 7.649 1.00 . A A . 14 ALA HB2 1 1
1 193 1 1 14 ALA HB3 H 9.152 10.141 6.373 1.00 . A A . 14 ALA HB3 1 1
1 194 1 1 14 ALA N N 7.608 8.501 7.913 1.00 . A A . 14 ALA N 1 1
1 195 1 1 14 ALA O O 8.590 9.996 10.425 1.00 . A A . 14 ALA O 1 1
1 196 1 1 14 ALA OXT O 10.044 8.227 10.276 1.00 . A A . 14 ALA OXT 1 1
2 197 1 1 1 ACE C C -11.555 -0.215 -2.643 1.00 . A A . 1 ACE C 1 1
2 198 1 1 1 ACE CH3 C -12.487 -1.386 -2.937 1.00 . A A . 1 ACE CH3 1 1
2 199 1 1 1 ACE H1 H -13.226 -1.530 -2.128 1.00 . A A . 1 ACE H1 1 1
2 200 1 1 1 ACE H2 H -13.054 -1.219 -3.872 1.00 . A A . 1 ACE H2 1 1
2 201 1 1 1 ACE H3 H -11.925 -2.331 -3.060 1.00 . A A . 1 ACE H3 1 1
2 202 1 1 1 ACE O O -11.514 0.754 -3.404 1.00 . A A . 1 ACE O 1 1
2 203 1 1 2 ILE C C -8.520 -0.074 -0.858 1.00 . A A . 2 ILE C 1 1
2 204 1 1 2 ILE CA C -9.855 0.702 -1.066 1.00 . A A . 2 ILE CA 1 1
2 205 1 1 2 ILE CB C -10.306 1.470 0.227 1.00 . A A . 2 ILE CB 1 1
2 206 1 1 2 ILE CD1 C -11.968 3.228 -0.847 1.00 . A A . 2 ILE CD1 1 1
2 207 1 1 2 ILE CG1 C -11.730 2.107 0.183 1.00 . A A . 2 ILE CG1 1 1
2 208 1 1 2 ILE CG2 C -9.272 2.529 0.697 1.00 . A A . 2 ILE CG2 1 1
2 209 1 1 2 ILE H H -10.854 -1.255 -1.088 1.00 . A A . 2 ILE H 1 1
2 210 1 1 2 ILE HA H -9.724 1.473 -1.856 1.00 . A A . 2 ILE HA 1 1
2 211 1 1 2 ILE HB H -10.335 0.713 1.030 1.00 . A A . 2 ILE HB 1 1
2 212 1 1 2 ILE HD11 H -13.013 3.585 -0.809 1.00 . A A . 2 ILE HD11 1 1
2 213 1 1 2 ILE HD12 H -11.321 4.105 -0.661 1.00 . A A . 2 ILE HD12 1 1
2 214 1 1 2 ILE HD13 H -11.778 2.889 -1.881 1.00 . A A . 2 ILE HD13 1 1
2 215 1 1 2 ILE HG12 H -12.477 1.312 0.008 1.00 . A A . 2 ILE HG12 1 1
2 216 1 1 2 ILE HG13 H -11.984 2.497 1.186 1.00 . A A . 2 ILE HG13 1 1
2 217 1 1 2 ILE HG21 H -9.592 3.037 1.625 1.00 . A A . 2 ILE HG21 1 1
2 218 1 1 2 ILE HG22 H -8.287 2.075 0.916 1.00 . A A . 2 ILE HG22 1 1
2 219 1 1 2 ILE HG23 H -9.101 3.312 -0.066 1.00 . A A . 2 ILE HG23 1 1
2 220 1 1 2 ILE N N -10.828 -0.330 -1.525 1.00 . A A . 2 ILE N 1 1
2 221 1 1 2 ILE O O -8.383 -0.905 0.047 1.00 . A A . 2 ILE O 1 1
2 222 1 1 3 TRP C C -5.356 -0.018 -0.409 1.00 . A A . 3 TRP C 1 1
2 223 1 1 3 TRP CA C -6.185 -0.359 -1.686 1.00 . A A . 3 TRP CA 1 1
2 224 1 1 3 TRP CB C -5.450 -0.026 -3.016 1.00 . A A . 3 TRP CB 1 1
2 225 1 1 3 TRP CD1 C -5.419 2.636 -2.776 1.00 . A A . 3 TRP CD1 1 1
2 226 1 1 3 TRP CD2 C -4.104 1.775 -4.351 1.00 . A A . 3 TRP CD2 1 1
2 227 1 1 3 TRP CE2 C -3.993 3.189 -4.357 1.00 . A A . 3 TRP CE2 1 1
2 228 1 1 3 TRP CE3 C -3.382 0.998 -5.295 1.00 . A A . 3 TRP CE3 1 1
2 229 1 1 3 TRP CG C -4.995 1.412 -3.353 1.00 . A A . 3 TRP CG 1 1
2 230 1 1 3 TRP CH2 C -2.459 3.052 -6.220 1.00 . A A . 3 TRP CH2 1 1
2 231 1 1 3 TRP CZ2 C -3.162 3.834 -5.303 1.00 . A A . 3 TRP CZ2 1 1
2 232 1 1 3 TRP CZ3 C -2.569 1.657 -6.218 1.00 . A A . 3 TRP CZ3 1 1
2 233 1 1 3 TRP H H -7.871 0.845 -2.467 1.00 . A A . 3 TRP H 1 1
2 234 1 1 3 TRP HA H -6.342 -1.455 -1.707 1.00 . A A . 3 TRP HA 1 1
2 235 1 1 3 TRP HB2 H -4.555 -0.667 -3.057 1.00 . A A . 3 TRP HB2 1 1
2 236 1 1 3 TRP HB3 H -6.064 -0.389 -3.863 1.00 . A A . 3 TRP HB3 1 1
2 237 1 1 3 TRP HD1 H -6.140 2.720 -1.975 1.00 . A A . 3 TRP HD1 1 1
2 238 1 1 3 TRP HE1 H -4.931 4.740 -3.160 1.00 . A A . 3 TRP HE1 1 1
2 239 1 1 3 TRP HE3 H -3.459 -0.081 -5.308 1.00 . A A . 3 TRP HE3 1 1
2 240 1 1 3 TRP HH2 H -1.817 3.532 -6.945 1.00 . A A . 3 TRP HH2 1 1
2 241 1 1 3 TRP HZ2 H -3.072 4.911 -5.318 1.00 . A A . 3 TRP HZ2 1 1
2 242 1 1 3 TRP HZ3 H -2.010 1.078 -6.939 1.00 . A A . 3 TRP HZ3 1 1
2 243 1 1 3 TRP N N -7.541 0.250 -1.707 1.00 . A A . 3 TRP N 1 1
2 244 1 1 3 TRP NE1 N -4.798 3.746 -3.377 1.00 . A A . 3 TRP NE1 1 1
2 245 1 1 3 TRP O O -5.298 1.138 0.023 1.00 . A A . 3 TRP O 1 1
2 246 1 1 4 GLY C C -2.433 -0.545 1.134 1.00 . A A . 4 GLY C 1 1
2 247 1 1 4 GLY CA C -3.910 -0.880 1.410 1.00 . A A . 4 GLY CA 1 1
2 248 1 1 4 GLY H H -4.862 -1.958 -0.263 1.00 . A A . 4 GLY H 1 1
2 249 1 1 4 GLY HA2 H -4.334 -0.089 2.060 1.00 . A A . 4 GLY HA2 1 1
2 250 1 1 4 GLY HA3 H -4.008 -1.801 2.016 1.00 . A A . 4 GLY HA3 1 1
2 251 1 1 4 GLY N N -4.721 -1.046 0.184 1.00 . A A . 4 GLY N 1 1
2 252 1 1 4 GLY O O -2.121 0.574 0.715 1.00 . A A . 4 GLY O 1 1
2 253 1 1 5 BCX C C 2.012 -2.363 0.124 1.00 . A A . 5 BCX C 1 1
2 254 1 1 5 BCX CA C -0.085 -1.340 1.192 1.00 . A A . 5 BCX CA 1 1
2 255 1 1 5 BCX CB C 0.593 -0.814 2.486 1.00 . A A . 5 BCX CB 1 1
2 256 1 1 5 BCX CC C 0.575 -2.614 0.655 1.00 . A A . 5 BCX CC 1 1
2 257 1 1 5 BCX H H -1.971 -2.422 1.618 1.00 . A A . 5 BCX H 1 1
2 258 1 1 5 BCX HA H 0.094 -0.632 0.376 1.00 . A A . 5 BCX HA 1 1
2 259 1 1 5 BCX HB2 H 0.267 -1.376 3.381 1.00 . A A . 5 BCX HB2 1 1
2 260 1 1 5 BCX HB3 H 1.693 -0.933 2.445 1.00 . A A . 5 BCX HB3 1 1
2 261 1 1 5 BCX HC1 H -0.027 -2.995 -0.195 1.00 . A A . 5 BCX HC1 1 1
2 262 1 1 5 BCX HC2 H 0.522 -3.410 1.424 1.00 . A A . 5 BCX HC2 1 1
2 263 1 1 5 BCX N N -1.544 -1.518 1.391 1.00 . A A . 5 BCX N 1 1
2 264 1 1 5 BCX O O 2.270 -1.428 -0.636 1.00 . A A . 5 BCX O 1 1
2 265 1 1 5 BCX SG S 0.265 0.948 2.687 1.00 . A A . 5 BCX SG 1 1
2 266 1 1 6 SER C C 3.609 -4.367 -1.725 1.00 . A A . 6 SER C 1 1
2 267 1 1 6 SER CA C 4.068 -3.617 -0.437 1.00 . A A . 6 SER CA 1 1
2 268 1 1 6 SER CB C 5.131 -4.346 0.415 1.00 . A A . 6 SER CB 1 1
2 269 1 1 6 SER H H 2.395 -4.032 0.972 1.00 . A A . 6 SER H 1 1
2 270 1 1 6 SER HA H 4.544 -2.659 -0.730 1.00 . A A . 6 SER HA 1 1
2 271 1 1 6 SER HB2 H 5.400 -3.736 1.301 1.00 . A A . 6 SER HB2 1 1
2 272 1 1 6 SER HB3 H 4.747 -5.305 0.810 1.00 . A A . 6 SER HB3 1 1
2 273 1 1 6 SER HG H 6.916 -5.053 0.228 1.00 . A A . 6 SER HG 1 1
2 274 1 1 6 SER N N 2.882 -3.324 0.421 1.00 . A A . 6 SER N 1 1
2 275 1 1 6 SER O O 3.591 -5.600 -1.792 1.00 . A A . 6 SER O 1 1
2 276 1 1 6 SER OG O 6.310 -4.580 -0.348 1.00 . A A . 6 SER OG 1 1
2 277 1 1 7 GLY C C 1.596 -3.112 -4.550 1.00 . A A . 7 GLY C 1 1
2 278 1 1 7 GLY CA C 2.693 -4.064 -4.018 1.00 . A A . 7 GLY CA 1 1
2 279 1 1 7 GLY H H 3.144 -2.566 -2.478 1.00 . A A . 7 GLY H 1 1
2 280 1 1 7 GLY HA2 H 3.515 -4.143 -4.753 1.00 . A A . 7 GLY HA2 1 1
2 281 1 1 7 GLY HA3 H 2.269 -5.082 -3.922 1.00 . A A . 7 GLY HA3 1 1
2 282 1 1 7 GLY N N 3.232 -3.563 -2.731 1.00 . A A . 7 GLY N 1 1
2 283 1 1 7 GLY O O 1.659 -2.696 -5.710 1.00 . A A . 7 GLY O 1 1
2 284 1 1 8 LYS C C -0.017 -0.383 -3.986 1.00 . A A . 8 LYS C 1 1
2 285 1 1 8 LYS CA C -0.515 -1.862 -4.059 1.00 . A A . 8 LYS CA 1 1
2 286 1 1 8 LYS CB C -1.760 -2.146 -3.164 1.00 . A A . 8 LYS CB 1 1
2 287 1 1 8 LYS CD C -3.645 -3.726 -2.433 1.00 . A A . 8 LYS CD 1 1
2 288 1 1 8 LYS CE C -4.350 -5.074 -2.655 1.00 . A A . 8 LYS CE 1 1
2 289 1 1 8 LYS CG C -2.459 -3.505 -3.394 1.00 . A A . 8 LYS CG 1 1
2 290 1 1 8 LYS H H 0.720 -3.101 -2.742 1.00 . A A . 8 LYS H 1 1
2 291 1 1 8 LYS HA H -0.824 -2.051 -5.107 1.00 . A A . 8 LYS HA 1 1
2 292 1 1 8 LYS HB2 H -1.497 -2.051 -2.093 1.00 . A A . 8 LYS HB2 1 1
2 293 1 1 8 LYS HB3 H -2.507 -1.352 -3.340 1.00 . A A . 8 LYS HB3 1 1
2 294 1 1 8 LYS HD2 H -3.289 -3.656 -1.387 1.00 . A A . 8 LYS HD2 1 1
2 295 1 1 8 LYS HD3 H -4.376 -2.906 -2.558 1.00 . A A . 8 LYS HD3 1 1
2 296 1 1 8 LYS HE2 H -4.723 -5.148 -3.694 1.00 . A A . 8 LYS HE2 1 1
2 297 1 1 8 LYS HE3 H -3.639 -5.911 -2.519 1.00 . A A . 8 LYS HE3 1 1
2 298 1 1 8 LYS HG2 H -2.808 -3.569 -4.442 1.00 . A A . 8 LYS HG2 1 1
2 299 1 1 8 LYS HG3 H -1.730 -4.327 -3.267 1.00 . A A . 8 LYS HG3 1 1
2 300 1 1 8 LYS HZ1 H -5.938 -6.142 -1.871 1.00 . A A . 8 LYS HZ1 1 1
2 301 1 1 8 LYS HZ2 H -5.144 -5.253 -0.753 1.00 . A A . 8 LYS HZ2 1 1
2 302 1 1 8 LYS N N 0.589 -2.787 -3.708 1.00 . A A . 8 LYS N 1 1
2 303 1 1 8 LYS NZ N -5.481 -5.236 -1.723 1.00 . A A . 8 LYS NZ 1 1
2 304 1 1 8 LYS O O 0.083 0.257 -5.037 1.00 . A A . 8 LYS O 1 1
2 305 1 1 9 LEU C C 1.531 1.583 -1.256 1.00 . A A . 9 LEU C 1 1
2 306 1 1 9 LEU CA C 0.790 1.553 -2.619 1.00 . A A . 9 LEU CA 1 1
2 307 1 1 9 LEU CB C -0.465 2.470 -2.659 1.00 . A A . 9 LEU CB 1 1
2 308 1 1 9 LEU CD1 C 0.217 4.645 -1.409 1.00 . A A . 9 LEU CD1 1 1
2 309 1 1 9 LEU CD2 C 0.504 4.500 -3.925 1.00 . A A . 9 LEU CD2 1 1
2 310 1 1 9 LEU CG C -0.312 4.016 -2.712 1.00 . A A . 9 LEU CG 1 1
2 311 1 1 9 LEU H H 0.188 -0.430 -1.959 1.00 . A A . 9 LEU H 1 1
2 312 1 1 9 LEU HA H 1.468 1.823 -3.452 1.00 . A A . 9 LEU HA 1 1
2 313 1 1 9 LEU HB2 H -1.041 2.177 -3.557 1.00 . A A . 9 LEU HB2 1 1
2 314 1 1 9 LEU HB3 H -1.121 2.179 -1.816 1.00 . A A . 9 LEU HB3 1 1
2 315 1 1 9 LEU HD11 H 0.135 5.747 -1.427 1.00 . A A . 9 LEU HD11 1 1
2 316 1 1 9 LEU HD12 H -0.351 4.294 -0.527 1.00 . A A . 9 LEU HD12 1 1
2 317 1 1 9 LEU HD13 H 1.281 4.405 -1.230 1.00 . A A . 9 LEU HD13 1 1
2 318 1 1 9 LEU HD21 H 1.567 4.203 -3.859 1.00 . A A . 9 LEU HD21 1 1
2 319 1 1 9 LEU HD22 H 0.107 4.090 -4.873 1.00 . A A . 9 LEU HD22 1 1
2 320 1 1 9 LEU HD23 H 0.479 5.602 -4.019 1.00 . A A . 9 LEU HD23 1 1
2 321 1 1 9 LEU HG H -1.336 4.413 -2.845 1.00 . A A . 9 LEU HG 1 1
2 322 1 1 9 LEU N N 0.321 0.155 -2.789 1.00 . A A . 9 LEU N 1 1
2 323 1 1 9 LEU O O 0.881 1.537 -0.207 1.00 . A A . 9 LEU O 1 1
2 324 1 1 10 ILE C C 3.260 2.700 1.113 1.00 . A A . 10 ILE C 1 1
2 325 1 1 10 ILE CA C 3.701 1.688 -0.004 1.00 . A A . 10 ILE CA 1 1
2 326 1 1 10 ILE CB C 5.247 1.718 -0.315 1.00 . A A . 10 ILE CB 1 1
2 327 1 1 10 ILE CD1 C 5.607 4.255 -0.888 1.00 . A A . 10 ILE CD1 1 1
2 328 1 1 10 ILE CG1 C 5.780 2.791 -1.313 1.00 . A A . 10 ILE CG1 1 1
2 329 1 1 10 ILE CG2 C 5.742 0.325 -0.781 1.00 . A A . 10 ILE CG2 1 1
2 330 1 1 10 ILE H H 3.319 1.715 -2.178 1.00 . A A . 10 ILE H 1 1
2 331 1 1 10 ILE HA H 3.506 0.686 0.433 1.00 . A A . 10 ILE HA 1 1
2 332 1 1 10 ILE HB H 5.776 1.895 0.640 1.00 . A A . 10 ILE HB 1 1
2 333 1 1 10 ILE HD11 H 5.997 4.433 0.131 1.00 . A A . 10 ILE HD11 1 1
2 334 1 1 10 ILE HD12 H 6.149 4.934 -1.571 1.00 . A A . 10 ILE HD12 1 1
2 335 1 1 10 ILE HD13 H 4.548 4.565 -0.907 1.00 . A A . 10 ILE HD13 1 1
2 336 1 1 10 ILE HG12 H 6.862 2.630 -1.474 1.00 . A A . 10 ILE HG12 1 1
2 337 1 1 10 ILE HG13 H 5.322 2.649 -2.311 1.00 . A A . 10 ILE HG13 1 1
2 338 1 1 10 ILE HG21 H 5.497 -0.463 -0.045 1.00 . A A . 10 ILE HG21 1 1
2 339 1 1 10 ILE HG22 H 5.289 0.021 -1.744 1.00 . A A . 10 ILE HG22 1 1
2 340 1 1 10 ILE HG23 H 6.841 0.296 -0.911 1.00 . A A . 10 ILE HG23 1 1
2 341 1 1 10 ILE N N 2.875 1.691 -1.254 1.00 . A A . 10 ILE N 1 1
2 342 1 1 10 ILE O O 2.875 3.840 0.839 1.00 . A A . 10 ILE O 1 1
2 343 1 1 11 CYS C C 4.084 3.948 4.007 1.00 . A A . 11 CYS C 1 1
2 344 1 1 11 CYS CA C 2.907 3.030 3.567 1.00 . A A . 11 CYS CA 1 1
2 345 1 1 11 CYS CB C 2.462 2.065 4.695 1.00 . A A . 11 CYS CB 1 1
2 346 1 1 11 CYS H H 3.781 1.343 2.489 1.00 . A A . 11 CYS H 1 1
2 347 1 1 11 CYS HA H 2.017 3.643 3.319 1.00 . A A . 11 CYS HA 1 1
2 348 1 1 11 CYS HB2 H 3.115 1.174 4.769 1.00 . A A . 11 CYS HB2 1 1
2 349 1 1 11 CYS HB3 H 2.539 2.562 5.680 1.00 . A A . 11 CYS HB3 1 1
2 350 1 1 11 CYS N N 3.299 2.234 2.379 1.00 . A A . 11 CYS N 1 1
2 351 1 1 11 CYS O O 4.977 3.551 4.765 1.00 . A A . 11 CYS O 1 1
2 352 1 1 11 CYS SG S 0.734 1.546 4.537 1.00 . A A . 11 CYS SG 1 1
2 353 1 1 12 THR C C 5.019 6.703 5.287 1.00 . A A . 12 THR C 1 1
2 354 1 1 12 THR CA C 5.073 6.235 3.801 1.00 . A A . 12 THR CA 1 1
2 355 1 1 12 THR CB C 4.951 7.459 2.840 1.00 . A A . 12 THR CB 1 1
2 356 1 1 12 THR CG2 C 5.221 7.153 1.357 1.00 . A A . 12 THR CG2 1 1
2 357 1 1 12 THR H H 3.406 5.263 2.713 1.00 . A A . 12 THR H 1 1
2 358 1 1 12 THR HA H 6.064 5.784 3.598 1.00 . A A . 12 THR HA 1 1
2 359 1 1 12 THR HB H 5.705 8.210 3.144 1.00 . A A . 12 THR HB 1 1
2 360 1 1 12 THR HG1 H 3.509 8.195 3.882 1.00 . A A . 12 THR HG1 1 1
2 361 1 1 12 THR HG21 H 4.479 6.446 0.942 1.00 . A A . 12 THR HG21 1 1
2 362 1 1 12 THR HG22 H 5.172 8.072 0.743 1.00 . A A . 12 THR HG22 1 1
2 363 1 1 12 THR HG23 H 6.223 6.713 1.206 1.00 . A A . 12 THR HG23 1 1
2 364 1 1 12 THR N N 4.045 5.195 3.511 1.00 . A A . 12 THR N 1 1
2 365 1 1 12 THR O O 4.030 7.298 5.725 1.00 . A A . 12 THR O 1 1
2 366 1 1 12 THR OG1 O 3.666 8.070 2.942 1.00 . A A . 12 THR OG1 1 1
2 367 1 1 13 THR C C 7.697 7.142 7.705 1.00 . A A . 13 THR C 1 1
2 368 1 1 13 THR CA C 6.202 6.778 7.478 1.00 . A A . 13 THR CA 1 1
2 369 1 1 13 THR CB C 5.746 5.656 8.452 1.00 . A A . 13 THR CB 1 1
2 370 1 1 13 THR CG2 C 5.552 6.116 9.907 1.00 . A A . 13 THR CG2 1 1
2 371 1 1 13 THR H H 6.879 5.982 5.546 1.00 . A A . 13 THR H 1 1
2 372 1 1 13 THR HA H 5.551 7.659 7.671 1.00 . A A . 13 THR HA 1 1
2 373 1 1 13 THR HB H 6.533 4.889 8.444 1.00 . A A . 13 THR HB 1 1
2 374 1 1 13 THR HG1 H 4.641 4.826 7.110 1.00 . A A . 13 THR HG1 1 1
2 375 1 1 13 THR HG21 H 4.764 6.887 9.992 1.00 . A A . 13 THR HG21 1 1
2 376 1 1 13 THR HG22 H 5.254 5.272 10.557 1.00 . A A . 13 THR HG22 1 1
2 377 1 1 13 THR HG23 H 6.481 6.539 10.335 1.00 . A A . 13 THR HG23 1 1
2 378 1 1 13 THR N N 6.089 6.404 6.045 1.00 . A A . 13 THR N 1 1
2 379 1 1 13 THR O O 8.607 6.314 7.591 1.00 . A A . 13 THR O 1 1
2 380 1 1 13 THR OG1 O 4.518 5.065 8.032 1.00 . A A . 13 THR OG1 1 1
2 381 1 1 14 ALA C C 9.582 8.887 9.819 1.00 . A A . 14 ALA C 1 1
2 382 1 1 14 ALA CA C 9.232 8.997 8.318 1.00 . A A . 14 ALA CA 1 1
2 383 1 1 14 ALA CB C 9.240 10.459 7.837 1.00 . A A . 14 ALA CB 1 1
2 384 1 1 14 ALA H H 7.003 8.902 8.086 1.00 . A A . 14 ALA H 1 1
2 385 1 1 14 ALA HXT H 10.835 7.973 10.980 1.00 . A A . 14 ALA HXT 1 1
2 386 1 1 14 ALA HA H 10.005 8.463 7.729 1.00 . A A . 14 ALA HA 1 1
2 387 1 1 14 ALA HB1 H 8.494 11.083 8.366 1.00 . A A . 14 ALA HB1 1 1
2 388 1 1 14 ALA HB2 H 10.228 10.931 7.994 1.00 . A A . 14 ALA HB2 1 1
2 389 1 1 14 ALA HB3 H 9.023 10.535 6.755 1.00 . A A . 14 ALA HB3 1 1
2 390 1 1 14 ALA N N 7.897 8.412 8.047 1.00 . A A . 14 ALA N 1 1
2 391 1 1 14 ALA O O 8.985 9.487 10.715 1.00 . A A . 14 ALA O 1 1
2 392 1 1 14 ALA OXT O 10.634 8.036 10.045 1.00 . A A . 14 ALA OXT 1 1
3 393 1 1 1 ACE C C -11.513 -1.432 -4.145 1.00 . A A . 1 ACE C 1 1
3 394 1 1 1 ACE CH3 C -12.107 -0.674 -5.328 1.00 . A A . 1 ACE CH3 1 1
3 395 1 1 1 ACE H1 H -12.003 -1.246 -6.269 1.00 . A A . 1 ACE H1 1 1
3 396 1 1 1 ACE H2 H -13.185 -0.482 -5.177 1.00 . A A . 1 ACE H2 1 1
3 397 1 1 1 ACE H3 H -11.616 0.307 -5.469 1.00 . A A . 1 ACE H3 1 1
3 398 1 1 1 ACE O O -12.225 -1.772 -3.197 1.00 . A A . 1 ACE O 1 1
3 399 1 1 2 ILE C C -8.017 -1.804 -3.172 1.00 . A A . 2 ILE C 1 1
3 400 1 1 2 ILE CA C -9.441 -2.421 -3.175 1.00 . A A . 2 ILE CA 1 1
3 401 1 1 2 ILE CB C -9.527 -3.978 -3.317 1.00 . A A . 2 ILE CB 1 1
3 402 1 1 2 ILE CD1 C -7.606 -4.837 -1.695 1.00 . A A . 2 ILE CD1 1 1
3 403 1 1 2 ILE CG1 C -9.102 -4.778 -2.049 1.00 . A A . 2 ILE CG1 1 1
3 404 1 1 2 ILE CG2 C -8.943 -4.588 -4.617 1.00 . A A . 2 ILE CG2 1 1
3 405 1 1 2 ILE H H -9.735 -1.300 -5.051 1.00 . A A . 2 ILE H 1 1
3 406 1 1 2 ILE HA H -9.925 -2.192 -2.200 1.00 . A A . 2 ILE HA 1 1
3 407 1 1 2 ILE HB H -10.613 -4.156 -3.380 1.00 . A A . 2 ILE HB 1 1
3 408 1 1 2 ILE HD11 H -7.434 -5.480 -0.812 1.00 . A A . 2 ILE HD11 1 1
3 409 1 1 2 ILE HD12 H -7.002 -5.254 -2.520 1.00 . A A . 2 ILE HD12 1 1
3 410 1 1 2 ILE HD13 H -7.193 -3.843 -1.447 1.00 . A A . 2 ILE HD13 1 1
3 411 1 1 2 ILE HG12 H -9.654 -4.387 -1.174 1.00 . A A . 2 ILE HG12 1 1
3 412 1 1 2 ILE HG13 H -9.464 -5.818 -2.154 1.00 . A A . 2 ILE HG13 1 1
3 413 1 1 2 ILE HG21 H -7.844 -4.485 -4.671 1.00 . A A . 2 ILE HG21 1 1
3 414 1 1 2 ILE HG22 H -9.172 -5.667 -4.700 1.00 . A A . 2 ILE HG22 1 1
3 415 1 1 2 ILE HG23 H -9.359 -4.105 -5.519 1.00 . A A . 2 ILE HG23 1 1
3 416 1 1 2 ILE N N -10.204 -1.695 -4.231 1.00 . A A . 2 ILE N 1 1
3 417 1 1 2 ILE O O -7.218 -2.014 -4.089 1.00 . A A . 2 ILE O 1 1
3 418 1 1 3 TRP C C -6.012 -0.393 -0.452 1.00 . A A . 3 TRP C 1 1
3 419 1 1 3 TRP CA C -6.450 -0.307 -1.939 1.00 . A A . 3 TRP CA 1 1
3 420 1 1 3 TRP CB C -6.539 1.171 -2.421 1.00 . A A . 3 TRP CB 1 1
3 421 1 1 3 TRP CD1 C -7.653 1.210 -4.806 1.00 . A A . 3 TRP CD1 1 1
3 422 1 1 3 TRP CD2 C -5.458 1.583 -4.781 1.00 . A A . 3 TRP CD2 1 1
3 423 1 1 3 TRP CE2 C -5.924 1.571 -6.120 1.00 . A A . 3 TRP CE2 1 1
3 424 1 1 3 TRP CE3 C -4.080 1.777 -4.503 1.00 . A A . 3 TRP CE3 1 1
3 425 1 1 3 TRP CG C -6.538 1.348 -3.948 1.00 . A A . 3 TRP CG 1 1
3 426 1 1 3 TRP CH2 C -3.662 1.935 -6.896 1.00 . A A . 3 TRP CH2 1 1
3 427 1 1 3 TRP CZ2 C -5.014 1.745 -7.189 1.00 . A A . 3 TRP CZ2 1 1
3 428 1 1 3 TRP CZ3 C -3.203 1.952 -5.573 1.00 . A A . 3 TRP CZ3 1 1
3 429 1 1 3 TRP H H -8.480 -0.982 -1.427 1.00 . A A . 3 TRP H 1 1
3 430 1 1 3 TRP HA H -5.696 -0.826 -2.549 1.00 . A A . 3 TRP HA 1 1
3 431 1 1 3 TRP HB2 H -7.430 1.666 -1.988 1.00 . A A . 3 TRP HB2 1 1
3 432 1 1 3 TRP HB3 H -5.687 1.746 -2.011 1.00 . A A . 3 TRP HB3 1 1
3 433 1 1 3 TRP HD1 H -8.646 0.936 -4.473 1.00 . A A . 3 TRP HD1 1 1
3 434 1 1 3 TRP HE1 H -7.889 1.250 -6.988 1.00 . A A . 3 TRP HE1 1 1
3 435 1 1 3 TRP HE3 H -3.714 1.781 -3.487 1.00 . A A . 3 TRP HE3 1 1
3 436 1 1 3 TRP HH2 H -2.956 2.069 -7.704 1.00 . A A . 3 TRP HH2 1 1
3 437 1 1 3 TRP HZ2 H -5.354 1.728 -8.215 1.00 . A A . 3 TRP HZ2 1 1
3 438 1 1 3 TRP HZ3 H -2.151 2.102 -5.381 1.00 . A A . 3 TRP HZ3 1 1
3 439 1 1 3 TRP N N -7.740 -1.011 -2.125 1.00 . A A . 3 TRP N 1 1
3 440 1 1 3 TRP NE1 N -7.291 1.345 -6.159 1.00 . A A . 3 TRP NE1 1 1
3 441 1 1 3 TRP O O -6.780 -0.076 0.463 1.00 . A A . 3 TRP O 1 1
3 442 1 1 4 GLY C C -2.662 -0.632 1.080 1.00 . A A . 4 GLY C 1 1
3 443 1 1 4 GLY CA C -4.167 -0.941 1.113 1.00 . A A . 4 GLY CA 1 1
3 444 1 1 4 GLY H H -4.214 -1.011 -1.086 1.00 . A A . 4 GLY H 1 1
3 445 1 1 4 GLY HA2 H -4.641 -0.243 1.830 1.00 . A A . 4 GLY HA2 1 1
3 446 1 1 4 GLY HA3 H -4.376 -1.955 1.506 1.00 . A A . 4 GLY HA3 1 1
3 447 1 1 4 GLY N N -4.752 -0.808 -0.237 1.00 . A A . 4 GLY N 1 1
3 448 1 1 4 GLY O O -2.281 0.522 0.861 1.00 . A A . 4 GLY O 1 1
3 449 1 1 5 BCX C C 1.860 -2.404 0.345 1.00 . A A . 5 BCX C 1 1
3 450 1 1 5 BCX CA C -0.344 -1.480 1.319 1.00 . A A . 5 BCX CA 1 1
3 451 1 1 5 BCX CB C 0.173 -1.168 2.749 1.00 . A A . 5 BCX CB 1 1
3 452 1 1 5 BCX CC C 0.376 -2.687 0.701 1.00 . A A . 5 BCX CC 1 1
3 453 1 1 5 BCX H H -2.269 -2.568 1.433 1.00 . A A . 5 BCX H 1 1
3 454 1 1 5 BCX HA H -0.065 -0.673 0.631 1.00 . A A . 5 BCX HA 1 1
3 455 1 1 5 BCX HB2 H 0.052 -2.036 3.421 1.00 . A A . 5 BCX HB2 1 1
3 456 1 1 5 BCX HB3 H 1.257 -0.942 2.733 1.00 . A A . 5 BCX HB3 1 1
3 457 1 1 5 BCX HC1 H -0.134 -2.961 -0.243 1.00 . A A . 5 BCX HC1 1 1
3 458 1 1 5 BCX HC2 H 0.246 -3.568 1.359 1.00 . A A . 5 BCX HC2 1 1
3 459 1 1 5 BCX N N -1.818 -1.655 1.312 1.00 . A A . 5 BCX N 1 1
3 460 1 1 5 BCX O O 2.201 -1.378 -0.248 1.00 . A A . 5 BCX O 1 1
3 461 1 1 5 BCX SG S -0.649 0.245 3.506 1.00 . A A . 5 BCX SG 1 1
3 462 1 1 6 SER C C 3.622 -4.240 -1.580 1.00 . A A . 6 SER C 1 1
3 463 1 1 6 SER CA C 3.955 -3.608 -0.197 1.00 . A A . 6 SER CA 1 1
3 464 1 1 6 SER CB C 4.955 -4.417 0.661 1.00 . A A . 6 SER CB 1 1
3 465 1 1 6 SER H H 2.155 -4.189 0.976 1.00 . A A . 6 SER H 1 1
3 466 1 1 6 SER HA H 4.438 -2.622 -0.354 1.00 . A A . 6 SER HA 1 1
3 467 1 1 6 SER HB2 H 5.156 -3.896 1.618 1.00 . A A . 6 SER HB2 1 1
3 468 1 1 6 SER HB3 H 4.552 -5.411 0.932 1.00 . A A . 6 SER HB3 1 1
3 469 1 1 6 SER HG H 5.998 -5.114 -0.803 1.00 . A A . 6 SER HG 1 1
3 470 1 1 6 SER N N 2.690 -3.418 0.576 1.00 . A A . 6 SER N 1 1
3 471 1 1 6 SER O O 3.640 -5.463 -1.756 1.00 . A A . 6 SER O 1 1
3 472 1 1 6 SER OG O 6.191 -4.582 -0.028 1.00 . A A . 6 SER OG 1 1
3 473 1 1 7 GLY C C 1.764 -2.867 -4.437 1.00 . A A . 7 GLY C 1 1
3 474 1 1 7 GLY CA C 2.914 -3.762 -3.916 1.00 . A A . 7 GLY CA 1 1
3 475 1 1 7 GLY H H 3.205 -2.388 -2.222 1.00 . A A . 7 GLY H 1 1
3 476 1 1 7 GLY HA2 H 3.784 -3.684 -4.593 1.00 . A A . 7 GLY HA2 1 1
3 477 1 1 7 GLY HA3 H 2.588 -4.820 -3.963 1.00 . A A . 7 GLY HA3 1 1
3 478 1 1 7 GLY N N 3.323 -3.359 -2.549 1.00 . A A . 7 GLY N 1 1
3 479 1 1 7 GLY O O 1.857 -2.334 -5.545 1.00 . A A . 7 GLY O 1 1
3 480 1 1 8 LYS C C -0.132 -0.358 -3.913 1.00 . A A . 8 LYS C 1 1
3 481 1 1 8 LYS CA C -0.490 -1.877 -3.976 1.00 . A A . 8 LYS CA 1 1
3 482 1 1 8 LYS CB C -1.649 -2.289 -3.016 1.00 . A A . 8 LYS CB 1 1
3 483 1 1 8 LYS CD C -3.636 -2.026 -4.750 1.00 . A A . 8 LYS CD 1 1
3 484 1 1 8 LYS CE C -3.780 -3.508 -5.157 1.00 . A A . 8 LYS CE 1 1
3 485 1 1 8 LYS CG C -3.054 -1.736 -3.345 1.00 . A A . 8 LYS CG 1 1
3 486 1 1 8 LYS H H 0.780 -3.138 -2.710 1.00 . A A . 8 LYS H 1 1
3 487 1 1 8 LYS HA H -0.797 -2.116 -5.013 1.00 . A A . 8 LYS HA 1 1
3 488 1 1 8 LYS HB2 H -1.722 -3.390 -2.945 1.00 . A A . 8 LYS HB2 1 1
3 489 1 1 8 LYS HB3 H -1.400 -1.979 -1.979 1.00 . A A . 8 LYS HB3 1 1
3 490 1 1 8 LYS HD2 H -4.622 -1.531 -4.836 1.00 . A A . 8 LYS HD2 1 1
3 491 1 1 8 LYS HD3 H -3.013 -1.513 -5.506 1.00 . A A . 8 LYS HD3 1 1
3 492 1 1 8 LYS HE2 H -4.088 -3.564 -6.218 1.00 . A A . 8 LYS HE2 1 1
3 493 1 1 8 LYS HE3 H -2.801 -4.021 -5.106 1.00 . A A . 8 LYS HE3 1 1
3 494 1 1 8 LYS HG2 H -3.759 -2.126 -2.589 1.00 . A A . 8 LYS HG2 1 1
3 495 1 1 8 LYS HG3 H -3.051 -0.642 -3.187 1.00 . A A . 8 LYS HG3 1 1
3 496 1 1 8 LYS HZ1 H -4.480 -4.246 -3.357 1.00 . A A . 8 LYS HZ1 1 1
3 497 1 1 8 LYS HZ2 H -4.805 -5.227 -4.625 1.00 . A A . 8 LYS HZ2 1 1
3 498 1 1 8 LYS N N 0.681 -2.724 -3.642 1.00 . A A . 8 LYS N 1 1
3 499 1 1 8 LYS NZ N -4.767 -4.242 -4.341 1.00 . A A . 8 LYS NZ 1 1
3 500 1 1 8 LYS O O -0.160 0.323 -4.940 1.00 . A A . 8 LYS O 1 1
3 501 1 1 9 LEU C C 1.510 1.545 -1.238 1.00 . A A . 9 LEU C 1 1
3 502 1 1 9 LEU CA C 0.576 1.559 -2.476 1.00 . A A . 9 LEU CA 1 1
3 503 1 1 9 LEU CB C -0.748 2.327 -2.233 1.00 . A A . 9 LEU CB 1 1
3 504 1 1 9 LEU CD1 C -0.176 4.606 -3.292 1.00 . A A . 9 LEU CD1 1 1
3 505 1 1 9 LEU CD2 C -2.033 4.417 -1.596 1.00 . A A . 9 LEU CD2 1 1
3 506 1 1 9 LEU CG C -0.663 3.864 -2.032 1.00 . A A . 9 LEU CG 1 1
3 507 1 1 9 LEU H H 0.048 -0.480 -1.918 1.00 . A A . 9 LEU H 1 1
3 508 1 1 9 LEU HA H 1.090 1.976 -3.365 1.00 . A A . 9 LEU HA 1 1
3 509 1 1 9 LEU HB2 H -1.422 2.112 -3.082 1.00 . A A . 9 LEU HB2 1 1
3 510 1 1 9 LEU HB3 H -1.243 1.860 -1.356 1.00 . A A . 9 LEU HB3 1 1
3 511 1 1 9 LEU HD11 H 0.844 4.295 -3.582 1.00 . A A . 9 LEU HD11 1 1
3 512 1 1 9 LEU HD12 H -0.834 4.424 -4.162 1.00 . A A . 9 LEU HD12 1 1
3 513 1 1 9 LEU HD13 H -0.136 5.700 -3.133 1.00 . A A . 9 LEU HD13 1 1
3 514 1 1 9 LEU HD21 H -1.991 5.504 -1.400 1.00 . A A . 9 LEU HD21 1 1
3 515 1 1 9 LEU HD22 H -2.814 4.250 -2.362 1.00 . A A . 9 LEU HD22 1 1
3 516 1 1 9 LEU HD23 H -2.386 3.940 -0.662 1.00 . A A . 9 LEU HD23 1 1
3 517 1 1 9 LEU HG H 0.053 4.071 -1.212 1.00 . A A . 9 LEU HG 1 1
3 518 1 1 9 LEU N N 0.216 0.145 -2.711 1.00 . A A . 9 LEU N 1 1
3 519 1 1 9 LEU O O 1.029 1.385 -0.112 1.00 . A A . 9 LEU O 1 1
3 520 1 1 10 ILE C C 3.511 2.695 0.840 1.00 . A A . 10 ILE C 1 1
3 521 1 1 10 ILE CA C 3.842 1.699 -0.325 1.00 . A A . 10 ILE CA 1 1
3 522 1 1 10 ILE CB C 5.330 1.784 -0.837 1.00 . A A . 10 ILE CB 1 1
3 523 1 1 10 ILE CD1 C 5.435 4.285 -1.668 1.00 . A A . 10 ILE CD1 1 1
3 524 1 1 10 ILE CG1 C 5.683 2.802 -1.968 1.00 . A A . 10 ILE CG1 1 1
3 525 1 1 10 ILE CG2 C 5.836 0.386 -1.282 1.00 . A A . 10 ILE CG2 1 1
3 526 1 1 10 ILE H H 3.124 1.764 -2.417 1.00 . A A . 10 ILE H 1 1
3 527 1 1 10 ILE HA H 3.744 0.682 0.111 1.00 . A A . 10 ILE HA 1 1
3 528 1 1 10 ILE HB H 5.962 2.049 0.033 1.00 . A A . 10 ILE HB 1 1
3 529 1 1 10 ILE HD11 H 4.355 4.515 -1.615 1.00 . A A . 10 ILE HD11 1 1
3 530 1 1 10 ILE HD12 H 5.896 4.596 -0.712 1.00 . A A . 10 ILE HD12 1 1
3 531 1 1 10 ILE HD13 H 5.858 4.927 -2.461 1.00 . A A . 10 ILE HD13 1 1
3 532 1 1 10 ILE HG12 H 6.755 2.701 -2.220 1.00 . A A . 10 ILE HG12 1 1
3 533 1 1 10 ILE HG13 H 5.149 2.535 -2.900 1.00 . A A . 10 ILE HG13 1 1
3 534 1 1 10 ILE HG21 H 5.734 -0.362 -0.474 1.00 . A A . 10 ILE HG21 1 1
3 535 1 1 10 ILE HG22 H 5.276 0.001 -2.155 1.00 . A A . 10 ILE HG22 1 1
3 536 1 1 10 ILE HG23 H 6.907 0.400 -1.558 1.00 . A A . 10 ILE HG23 1 1
3 537 1 1 10 ILE N N 2.835 1.718 -1.435 1.00 . A A . 10 ILE N 1 1
3 538 1 1 10 ILE O O 3.507 3.916 0.665 1.00 . A A . 10 ILE O 1 1
3 539 1 1 11 CYS C C 4.066 3.298 4.081 1.00 . A A . 11 CYS C 1 1
3 540 1 1 11 CYS CA C 2.824 2.923 3.225 1.00 . A A . 11 CYS CA 1 1
3 541 1 1 11 CYS CB C 1.745 2.136 3.994 1.00 . A A . 11 CYS CB 1 1
3 542 1 1 11 CYS H H 3.257 1.112 2.046 1.00 . A A . 11 CYS H 1 1
3 543 1 1 11 CYS HA H 2.299 3.839 2.899 1.00 . A A . 11 CYS HA 1 1
3 544 1 1 11 CYS HB2 H 2.120 1.149 4.327 1.00 . A A . 11 CYS HB2 1 1
3 545 1 1 11 CYS HB3 H 1.433 2.675 4.907 1.00 . A A . 11 CYS HB3 1 1
3 546 1 1 11 CYS N N 3.202 2.134 2.027 1.00 . A A . 11 CYS N 1 1
3 547 1 1 11 CYS O O 4.376 2.660 5.094 1.00 . A A . 11 CYS O 1 1
3 548 1 1 11 CYS SG S 0.298 1.904 2.939 1.00 . A A . 11 CYS SG 1 1
3 549 1 1 12 THR C C 5.604 5.804 5.516 1.00 . A A . 12 THR C 1 1
3 550 1 1 12 THR CA C 5.987 4.871 4.330 1.00 . A A . 12 THR CA 1 1
3 551 1 1 12 THR CB C 6.953 5.581 3.333 1.00 . A A . 12 THR CB 1 1
3 552 1 1 12 THR CG2 C 7.532 4.676 2.230 1.00 . A A . 12 THR CG2 1 1
3 553 1 1 12 THR H H 4.512 4.681 2.715 1.00 . A A . 12 THR H 1 1
3 554 1 1 12 THR HA H 6.543 3.995 4.706 1.00 . A A . 12 THR HA 1 1
3 555 1 1 12 THR HB H 7.814 5.969 3.910 1.00 . A A . 12 THR HB 1 1
3 556 1 1 12 THR HG1 H 5.854 7.148 3.431 1.00 . A A . 12 THR HG1 1 1
3 557 1 1 12 THR HG21 H 6.741 4.266 1.576 1.00 . A A . 12 THR HG21 1 1
3 558 1 1 12 THR HG22 H 8.234 5.233 1.583 1.00 . A A . 12 THR HG22 1 1
3 559 1 1 12 THR HG23 H 8.088 3.820 2.655 1.00 . A A . 12 THR HG23 1 1
3 560 1 1 12 THR N N 4.764 4.367 3.655 1.00 . A A . 12 THR N 1 1
3 561 1 1 12 THR O O 5.167 6.943 5.313 1.00 . A A . 12 THR O 1 1
3 562 1 1 12 THR OG1 O 6.312 6.695 2.716 1.00 . A A . 12 THR OG1 1 1
3 563 1 1 13 THR C C 6.589 7.068 8.409 1.00 . A A . 13 THR C 1 1
3 564 1 1 13 THR CA C 5.454 6.074 7.994 1.00 . A A . 13 THR CA 1 1
3 565 1 1 13 THR CB C 4.973 5.118 9.134 1.00 . A A . 13 THR CB 1 1
3 566 1 1 13 THR CG2 C 4.421 5.839 10.377 1.00 . A A . 13 THR CG2 1 1
3 567 1 1 13 THR H H 6.098 4.329 6.756 1.00 . A A . 13 THR H 1 1
3 568 1 1 13 THR HA H 4.569 6.705 7.768 1.00 . A A . 13 THR HA 1 1
3 569 1 1 13 THR HB H 5.804 4.468 9.471 1.00 . A A . 13 THR HB 1 1
3 570 1 1 13 THR HG1 H 4.132 4.108 7.728 1.00 . A A . 13 THR HG1 1 1
3 571 1 1 13 THR HG21 H 3.567 6.495 10.124 1.00 . A A . 13 THR HG21 1 1
3 572 1 1 13 THR HG22 H 4.067 5.117 11.135 1.00 . A A . 13 THR HG22 1 1
3 573 1 1 13 THR HG23 H 5.189 6.467 10.864 1.00 . A A . 13 THR HG23 1 1
3 574 1 1 13 THR N N 5.779 5.304 6.751 1.00 . A A . 13 THR N 1 1
3 575 1 1 13 THR O O 6.296 8.252 8.594 1.00 . A A . 13 THR O 1 1
3 576 1 1 13 THR OG1 O 3.923 4.285 8.651 1.00 . A A . 13 THR OG1 1 1
3 577 1 1 14 ALA C C 9.675 8.076 7.692 1.00 . A A . 14 ALA C 1 1
3 578 1 1 14 ALA CA C 8.987 7.487 8.947 1.00 . A A . 14 ALA CA 1 1
3 579 1 1 14 ALA CB C 9.973 6.669 9.801 1.00 . A A . 14 ALA CB 1 1
3 580 1 1 14 ALA H H 8.005 5.638 8.282 1.00 . A A . 14 ALA H 1 1
3 581 1 1 14 ALA HXT H 9.979 9.789 6.843 1.00 . A A . 14 ALA HXT 1 1
3 582 1 1 14 ALA HA H 8.626 8.319 9.584 1.00 . A A . 14 ALA HA 1 1
3 583 1 1 14 ALA HB1 H 9.491 6.274 10.715 1.00 . A A . 14 ALA HB1 1 1
3 584 1 1 14 ALA HB2 H 10.394 5.806 9.251 1.00 . A A . 14 ALA HB2 1 1
3 585 1 1 14 ALA HB3 H 10.825 7.288 10.137 1.00 . A A . 14 ALA HB3 1 1
3 586 1 1 14 ALA N N 7.853 6.613 8.559 1.00 . A A . 14 ALA N 1 1
3 587 1 1 14 ALA O O 10.256 7.400 6.841 1.00 . A A . 14 ALA O 1 1
3 588 1 1 14 ALA OXT O 9.556 9.439 7.630 1.00 . A A . 14 ALA OXT 1 1
4 589 1 1 1 ACE C C -1.649 -10.177 -1.943 1.00 . A A . 1 ACE C 1 1
4 590 1 1 1 ACE CH3 C -2.226 -11.384 -2.677 1.00 . A A . 1 ACE CH3 1 1
4 591 1 1 1 ACE H1 H -2.188 -11.247 -3.773 1.00 . A A . 1 ACE H1 1 1
4 592 1 1 1 ACE H2 H -1.657 -12.302 -2.441 1.00 . A A . 1 ACE H2 1 1
4 593 1 1 1 ACE H3 H -3.278 -11.567 -2.392 1.00 . A A . 1 ACE H3 1 1
4 594 1 1 1 ACE O O -0.656 -10.298 -1.221 1.00 . A A . 1 ACE O 1 1
4 595 1 1 2 ILE C C -3.175 -6.892 -1.364 1.00 . A A . 2 ILE C 1 1
4 596 1 1 2 ILE CA C -1.879 -7.732 -1.524 1.00 . A A . 2 ILE CA 1 1
4 597 1 1 2 ILE CB C -0.689 -7.021 -2.252 1.00 . A A . 2 ILE CB 1 1
4 598 1 1 2 ILE CD1 C 0.594 -6.159 -0.143 1.00 . A A . 2 ILE CD1 1 1
4 599 1 1 2 ILE CG1 C -0.098 -5.811 -1.472 1.00 . A A . 2 ILE CG1 1 1
4 600 1 1 2 ILE CG2 C -0.958 -6.607 -3.721 1.00 . A A . 2 ILE CG2 1 1
4 601 1 1 2 ILE H H -3.143 -9.089 -2.711 1.00 . A A . 2 ILE H 1 1
4 602 1 1 2 ILE HA H -1.495 -7.984 -0.512 1.00 . A A . 2 ILE HA 1 1
4 603 1 1 2 ILE HB H 0.101 -7.787 -2.290 1.00 . A A . 2 ILE HB 1 1
4 604 1 1 2 ILE HD11 H 1.099 -5.276 0.286 1.00 . A A . 2 ILE HD11 1 1
4 605 1 1 2 ILE HD12 H -0.121 -6.524 0.616 1.00 . A A . 2 ILE HD12 1 1
4 606 1 1 2 ILE HD13 H 1.369 -6.936 -0.277 1.00 . A A . 2 ILE HD13 1 1
4 607 1 1 2 ILE HG12 H 0.654 -5.299 -2.097 1.00 . A A . 2 ILE HG12 1 1
4 608 1 1 2 ILE HG13 H -0.883 -5.051 -1.294 1.00 . A A . 2 ILE HG13 1 1
4 609 1 1 2 ILE HG21 H -1.718 -5.807 -3.798 1.00 . A A . 2 ILE HG21 1 1
4 610 1 1 2 ILE HG22 H -0.043 -6.233 -4.216 1.00 . A A . 2 ILE HG22 1 1
4 611 1 1 2 ILE HG23 H -1.319 -7.458 -4.327 1.00 . A A . 2 ILE HG23 1 1
4 612 1 1 2 ILE N N -2.285 -9.019 -2.155 1.00 . A A . 2 ILE N 1 1
4 613 1 1 2 ILE O O -3.797 -6.471 -2.345 1.00 . A A . 2 ILE O 1 1
4 614 1 1 3 TRP C C -4.451 -4.902 1.370 1.00 . A A . 3 TRP C 1 1
4 615 1 1 3 TRP CA C -4.796 -5.942 0.272 1.00 . A A . 3 TRP CA 1 1
4 616 1 1 3 TRP CB C -5.916 -6.929 0.710 1.00 . A A . 3 TRP CB 1 1
4 617 1 1 3 TRP CD1 C -5.920 -8.993 -0.927 1.00 . A A . 3 TRP CD1 1 1
4 618 1 1 3 TRP CD2 C -7.548 -7.511 -1.271 1.00 . A A . 3 TRP CD2 1 1
4 619 1 1 3 TRP CE2 C -7.623 -8.541 -2.244 1.00 . A A . 3 TRP CE2 1 1
4 620 1 1 3 TRP CE3 C -8.442 -6.410 -1.319 1.00 . A A . 3 TRP CE3 1 1
4 621 1 1 3 TRP CG C -6.484 -7.792 -0.432 1.00 . A A . 3 TRP CG 1 1
4 622 1 1 3 TRP CH2 C -9.475 -7.392 -3.295 1.00 . A A . 3 TRP CH2 1 1
4 623 1 1 3 TRP CZ2 C -8.598 -8.477 -3.270 1.00 . A A . 3 TRP CZ2 1 1
4 624 1 1 3 TRP CZ3 C -9.398 -6.374 -2.336 1.00 . A A . 3 TRP CZ3 1 1
4 625 1 1 3 TRP H H -2.963 -7.103 0.598 1.00 . A A . 3 TRP H 1 1
4 626 1 1 3 TRP HA H -5.158 -5.411 -0.619 1.00 . A A . 3 TRP HA 1 1
4 627 1 1 3 TRP HB2 H -5.556 -7.583 1.527 1.00 . A A . 3 TRP HB2 1 1
4 628 1 1 3 TRP HB3 H -6.751 -6.359 1.163 1.00 . A A . 3 TRP HB3 1 1
4 629 1 1 3 TRP HD1 H -4.989 -9.417 -0.572 1.00 . A A . 3 TRP HD1 1 1
4 630 1 1 3 TRP HE1 H -6.401 -10.294 -2.625 1.00 . A A . 3 TRP HE1 1 1
4 631 1 1 3 TRP HE3 H -8.382 -5.609 -0.597 1.00 . A A . 3 TRP HE3 1 1
4 632 1 1 3 TRP HH2 H -10.222 -7.332 -4.074 1.00 . A A . 3 TRP HH2 1 1
4 633 1 1 3 TRP HZ2 H -8.657 -9.248 -4.024 1.00 . A A . 3 TRP HZ2 1 1
4 634 1 1 3 TRP HZ3 H -10.085 -5.542 -2.388 1.00 . A A . 3 TRP HZ3 1 1
4 635 1 1 3 TRP N N -3.569 -6.683 -0.099 1.00 . A A . 3 TRP N 1 1
4 636 1 1 3 TRP NE1 N -6.623 -9.478 -2.044 1.00 . A A . 3 TRP NE1 1 1
4 637 1 1 3 TRP O O -3.958 -5.251 2.450 1.00 . A A . 3 TRP O 1 1
4 638 1 1 4 GLY C C -3.270 -1.678 1.425 1.00 . A A . 4 GLY C 1 1
4 639 1 1 4 GLY CA C -4.445 -2.492 1.991 1.00 . A A . 4 GLY CA 1 1
4 640 1 1 4 GLY H H -5.077 -3.469 0.123 1.00 . A A . 4 GLY H 1 1
4 641 1 1 4 GLY HA2 H -5.338 -1.844 2.052 1.00 . A A . 4 GLY HA2 1 1
4 642 1 1 4 GLY HA3 H -4.253 -2.818 3.032 1.00 . A A . 4 GLY HA3 1 1
4 643 1 1 4 GLY N N -4.732 -3.621 1.076 1.00 . A A . 4 GLY N 1 1
4 644 1 1 4 GLY O O -3.482 -0.722 0.672 1.00 . A A . 4 GLY O 1 1
4 645 1 1 5 BCX C C 1.412 -1.966 0.132 1.00 . A A . 5 BCX C 1 1
4 646 1 1 5 BCX CA C -0.804 -1.428 1.311 1.00 . A A . 5 BCX CA 1 1
4 647 1 1 5 BCX CB C -0.171 -0.471 2.344 1.00 . A A . 5 BCX CB 1 1
4 648 1 1 5 BCX CC C 0.133 -2.515 0.781 1.00 . A A . 5 BCX CC 1 1
4 649 1 1 5 BCX H H -2.030 -2.921 2.379 1.00 . A A . 5 BCX H 1 1
4 650 1 1 5 BCX HA H -1.007 -0.808 0.421 1.00 . A A . 5 BCX HA 1 1
4 651 1 1 5 BCX HB2 H 0.581 0.143 1.816 1.00 . A A . 5 BCX HB2 1 1
4 652 1 1 5 BCX HB3 H -0.925 0.218 2.747 1.00 . A A . 5 BCX HB3 1 1
4 653 1 1 5 BCX HC1 H -0.399 -3.093 -0.002 1.00 . A A . 5 BCX HC1 1 1
4 654 1 1 5 BCX HC2 H 0.340 -3.257 1.578 1.00 . A A . 5 BCX HC2 1 1
4 655 1 1 5 BCX N N -2.042 -2.075 1.799 1.00 . A A . 5 BCX N 1 1
4 656 1 1 5 BCX O O 1.380 -1.349 -0.927 1.00 . A A . 5 BCX O 1 1
4 657 1 1 5 BCX SG S 0.719 -1.251 3.697 1.00 . A A . 5 BCX SG 1 1
4 658 1 1 6 SER C C 3.671 -3.662 -1.115 1.00 . A A . 6 SER C 1 1
4 659 1 1 6 SER CA C 3.813 -2.574 0.004 1.00 . A A . 6 SER CA 1 1
4 660 1 1 6 SER CB C 4.916 -2.770 1.063 1.00 . A A . 6 SER CB 1 1
4 661 1 1 6 SER H H 2.225 -2.902 1.546 1.00 . A A . 6 SER H 1 1
4 662 1 1 6 SER HA H 4.087 -1.615 -0.478 1.00 . A A . 6 SER HA 1 1
4 663 1 1 6 SER HB2 H 4.982 -1.862 1.703 1.00 . A A . 6 SER HB2 1 1
4 664 1 1 6 SER HB3 H 4.679 -3.603 1.749 1.00 . A A . 6 SER HB3 1 1
4 665 1 1 6 SER HG H 6.810 -3.129 1.159 1.00 . A A . 6 SER HG 1 1
4 666 1 1 6 SER N N 2.526 -2.360 0.733 1.00 . A A . 6 SER N 1 1
4 667 1 1 6 SER O O 3.886 -4.862 -0.931 1.00 . A A . 6 SER O 1 1
4 668 1 1 6 SER OG O 6.181 -2.986 0.447 1.00 . A A . 6 SER OG 1 1
4 669 1 1 7 GLY C C 1.870 -3.090 -4.301 1.00 . A A . 7 GLY C 1 1
4 670 1 1 7 GLY CA C 2.947 -3.885 -3.506 1.00 . A A . 7 GLY CA 1 1
4 671 1 1 7 GLY H H 3.004 -2.140 -2.175 1.00 . A A . 7 GLY H 1 1
4 672 1 1 7 GLY HA2 H 3.860 -4.009 -4.117 1.00 . A A . 7 GLY HA2 1 1
4 673 1 1 7 GLY HA3 H 2.579 -4.904 -3.283 1.00 . A A . 7 GLY HA3 1 1
4 674 1 1 7 GLY N N 3.268 -3.130 -2.275 1.00 . A A . 7 GLY N 1 1
4 675 1 1 7 GLY O O 2.076 -2.799 -5.481 1.00 . A A . 7 GLY O 1 1
4 676 1 1 8 LYS C C 0.021 -0.425 -4.223 1.00 . A A . 8 LYS C 1 1
4 677 1 1 8 LYS CA C -0.373 -1.946 -4.256 1.00 . A A . 8 LYS CA 1 1
4 678 1 1 8 LYS CB C -1.689 -2.295 -3.491 1.00 . A A . 8 LYS CB 1 1
4 679 1 1 8 LYS CD C -4.245 -1.808 -3.274 1.00 . A A . 8 LYS CD 1 1
4 680 1 1 8 LYS CE C -4.724 -3.231 -2.929 1.00 . A A . 8 LYS CE 1 1
4 681 1 1 8 LYS CG C -2.974 -1.737 -4.146 1.00 . A A . 8 LYS CG 1 1
4 682 1 1 8 LYS H H 0.731 -2.958 -2.652 1.00 . A A . 8 LYS H 1 1
4 683 1 1 8 LYS HA H -0.504 -2.250 -5.314 1.00 . A A . 8 LYS HA 1 1
4 684 1 1 8 LYS HB2 H -1.800 -3.392 -3.397 1.00 . A A . 8 LYS HB2 1 1
4 685 1 1 8 LYS HB3 H -1.623 -1.938 -2.442 1.00 . A A . 8 LYS HB3 1 1
4 686 1 1 8 LYS HD2 H -4.082 -1.232 -2.342 1.00 . A A . 8 LYS HD2 1 1
4 687 1 1 8 LYS HD3 H -5.049 -1.269 -3.811 1.00 . A A . 8 LYS HD3 1 1
4 688 1 1 8 LYS HE2 H -4.807 -3.852 -3.842 1.00 . A A . 8 LYS HE2 1 1
4 689 1 1 8 LYS HE3 H -3.989 -3.737 -2.277 1.00 . A A . 8 LYS HE3 1 1
4 690 1 1 8 LYS HG2 H -2.816 -0.674 -4.411 1.00 . A A . 8 LYS HG2 1 1
4 691 1 1 8 LYS HG3 H -3.152 -2.248 -5.111 1.00 . A A . 8 LYS HG3 1 1
4 692 1 1 8 LYS HZ1 H -6.754 -2.850 -2.893 1.00 . A A . 8 LYS HZ1 1 1
4 693 1 1 8 LYS HZ2 H -6.010 -2.514 -1.481 1.00 . A A . 8 LYS HZ2 1 1
4 694 1 1 8 LYS N N 0.725 -2.752 -3.657 1.00 . A A . 8 LYS N 1 1
4 695 1 1 8 LYS NZ N -6.033 -3.196 -2.249 1.00 . A A . 8 LYS NZ 1 1
4 696 1 1 8 LYS O O 0.311 0.157 -5.271 1.00 . A A . 8 LYS O 1 1
4 697 1 1 9 LEU C C 1.248 1.584 -1.480 1.00 . A A . 9 LEU C 1 1
4 698 1 1 9 LEU CA C 0.400 1.609 -2.791 1.00 . A A . 9 LEU CA 1 1
4 699 1 1 9 LEU CB C -0.911 2.427 -2.676 1.00 . A A . 9 LEU CB 1 1
4 700 1 1 9 LEU CD1 C -0.113 4.684 -3.647 1.00 . A A . 9 LEU CD1 1 1
4 701 1 1 9 LEU CD2 C -2.141 4.587 -2.151 1.00 . A A . 9 LEU CD2 1 1
4 702 1 1 9 LEU CG C -0.768 3.958 -2.454 1.00 . A A . 9 LEU CG 1 1
4 703 1 1 9 LEU H H -0.273 -0.387 -2.237 1.00 . A A . 9 LEU H 1 1
4 704 1 1 9 LEU HA H 0.984 2.000 -3.648 1.00 . A A . 9 LEU HA 1 1
4 705 1 1 9 LEU HB2 H -1.515 2.242 -3.585 1.00 . A A . 9 LEU HB2 1 1
4 706 1 1 9 LEU HB3 H -1.506 1.990 -1.847 1.00 . A A . 9 LEU HB3 1 1
4 707 1 1 9 LEU HD11 H 0.916 4.324 -3.831 1.00 . A A . 9 LEU HD11 1 1
4 708 1 1 9 LEU HD12 H -0.684 4.542 -4.584 1.00 . A A . 9 LEU HD12 1 1
4 709 1 1 9 LEU HD13 H -0.035 5.773 -3.471 1.00 . A A . 9 LEU HD13 1 1
4 710 1 1 9 LEU HD21 H -2.849 4.470 -2.994 1.00 . A A . 9 LEU HD21 1 1
4 711 1 1 9 LEU HD22 H -2.613 4.128 -1.262 1.00 . A A . 9 LEU HD22 1 1
4 712 1 1 9 LEU HD23 H -2.058 5.669 -1.941 1.00 . A A . 9 LEU HD23 1 1
4 713 1 1 9 LEU HG H -0.131 4.124 -1.564 1.00 . A A . 9 LEU HG 1 1
4 714 1 1 9 LEU N N 0.033 0.193 -3.023 1.00 . A A . 9 LEU N 1 1
4 715 1 1 9 LEU O O 0.686 1.459 -0.386 1.00 . A A . 9 LEU O 1 1
4 716 1 1 10 ILE C C 3.189 2.223 0.933 1.00 . A A . 10 ILE C 1 1
4 717 1 1 10 ILE CA C 3.578 1.628 -0.468 1.00 . A A . 10 ILE CA 1 1
4 718 1 1 10 ILE CB C 5.000 2.122 -0.945 1.00 . A A . 10 ILE CB 1 1
4 719 1 1 10 ILE CD1 C 4.450 4.690 -1.155 1.00 . A A . 10 ILE CD1 1 1
4 720 1 1 10 ILE CG1 C 5.083 3.439 -1.780 1.00 . A A . 10 ILE CG1 1 1
4 721 1 1 10 ILE CG2 C 5.751 1.005 -1.713 1.00 . A A . 10 ILE CG2 1 1
4 722 1 1 10 ILE H H 2.904 1.781 -2.576 1.00 . A A . 10 ILE H 1 1
4 723 1 1 10 ILE HA H 3.678 0.542 -0.252 1.00 . A A . 10 ILE HA 1 1
4 724 1 1 10 ILE HB H 5.617 2.297 -0.042 1.00 . A A . 10 ILE HB 1 1
4 725 1 1 10 ILE HD11 H 4.660 5.590 -1.761 1.00 . A A . 10 ILE HD11 1 1
4 726 1 1 10 ILE HD12 H 3.351 4.600 -1.083 1.00 . A A . 10 ILE HD12 1 1
4 727 1 1 10 ILE HD13 H 4.835 4.881 -0.139 1.00 . A A . 10 ILE HD13 1 1
4 728 1 1 10 ILE HG12 H 6.147 3.670 -1.982 1.00 . A A . 10 ILE HG12 1 1
4 729 1 1 10 ILE HG13 H 4.633 3.284 -2.779 1.00 . A A . 10 ILE HG13 1 1
4 730 1 1 10 ILE HG21 H 6.782 1.304 -1.976 1.00 . A A . 10 ILE HG21 1 1
4 731 1 1 10 ILE HG22 H 5.838 0.082 -1.111 1.00 . A A . 10 ILE HG22 1 1
4 732 1 1 10 ILE HG23 H 5.238 0.731 -2.655 1.00 . A A . 10 ILE HG23 1 1
4 733 1 1 10 ILE N N 2.588 1.677 -1.604 1.00 . A A . 10 ILE N 1 1
4 734 1 1 10 ILE O O 2.530 3.262 1.029 1.00 . A A . 10 ILE O 1 1
4 735 1 1 11 CYS C C 4.411 2.946 3.957 1.00 . A A . 11 CYS C 1 1
4 736 1 1 11 CYS CA C 3.354 1.930 3.415 1.00 . A A . 11 CYS CA 1 1
4 737 1 1 11 CYS CB C 3.230 0.651 4.300 1.00 . A A . 11 CYS CB 1 1
4 738 1 1 11 CYS H H 4.214 0.722 1.792 1.00 . A A . 11 CYS H 1 1
4 739 1 1 11 CYS HA H 2.370 2.437 3.459 1.00 . A A . 11 CYS HA 1 1
4 740 1 1 11 CYS HB2 H 4.213 0.381 4.727 1.00 . A A . 11 CYS HB2 1 1
4 741 1 1 11 CYS HB3 H 2.573 0.844 5.167 1.00 . A A . 11 CYS HB3 1 1
4 742 1 1 11 CYS N N 3.636 1.537 2.010 1.00 . A A . 11 CYS N 1 1
4 743 1 1 11 CYS O O 5.345 2.583 4.681 1.00 . A A . 11 CYS O 1 1
4 744 1 1 11 CYS SG S 2.671 -0.852 3.448 1.00 . A A . 11 CYS SG 1 1
4 745 1 1 12 THR C C 4.315 6.323 4.889 1.00 . A A . 12 THR C 1 1
4 746 1 1 12 THR CA C 5.136 5.338 4.011 1.00 . A A . 12 THR CA 1 1
4 747 1 1 12 THR CB C 5.811 6.055 2.805 1.00 . A A . 12 THR CB 1 1
4 748 1 1 12 THR CG2 C 6.814 5.189 2.021 1.00 . A A . 12 THR CG2 1 1
4 749 1 1 12 THR H H 3.566 4.368 2.845 1.00 . A A . 12 THR H 1 1
4 750 1 1 12 THR HA H 5.958 4.922 4.611 1.00 . A A . 12 THR HA 1 1
4 751 1 1 12 THR HB H 6.379 6.919 3.199 1.00 . A A . 12 THR HB 1 1
4 752 1 1 12 THR HG1 H 4.152 6.954 2.464 1.00 . A A . 12 THR HG1 1 1
4 753 1 1 12 THR HG21 H 7.642 4.843 2.667 1.00 . A A . 12 THR HG21 1 1
4 754 1 1 12 THR HG22 H 6.336 4.290 1.592 1.00 . A A . 12 THR HG22 1 1
4 755 1 1 12 THR HG23 H 7.265 5.753 1.185 1.00 . A A . 12 THR HG23 1 1
4 756 1 1 12 THR N N 4.240 4.230 3.595 1.00 . A A . 12 THR N 1 1
4 757 1 1 12 THR O O 3.523 7.121 4.373 1.00 . A A . 12 THR O 1 1
4 758 1 1 12 THR OG1 O 4.830 6.560 1.905 1.00 . A A . 12 THR OG1 1 1
4 759 1 1 13 THR C C 4.840 7.503 8.289 1.00 . A A . 13 THR C 1 1
4 760 1 1 13 THR CA C 3.802 7.111 7.198 1.00 . A A . 13 THR CA 1 1
4 761 1 1 13 THR CB C 2.545 6.413 7.800 1.00 . A A . 13 THR CB 1 1
4 762 1 1 13 THR CG2 C 1.323 6.387 6.868 1.00 . A A . 13 THR CG2 1 1
4 763 1 1 13 THR H H 5.169 5.538 6.536 1.00 . A A . 13 THR H 1 1
4 764 1 1 13 THR HA H 3.449 8.041 6.705 1.00 . A A . 13 THR HA 1 1
4 765 1 1 13 THR HB H 2.256 6.975 8.703 1.00 . A A . 13 THR HB 1 1
4 766 1 1 13 THR HG1 H 3.098 4.625 7.387 1.00 . A A . 13 THR HG1 1 1
4 767 1 1 13 THR HG21 H 1.514 5.801 5.950 1.00 . A A . 13 THR HG21 1 1
4 768 1 1 13 THR HG22 H 0.447 5.934 7.368 1.00 . A A . 13 THR HG22 1 1
4 769 1 1 13 THR HG23 H 1.028 7.406 6.554 1.00 . A A . 13 THR HG23 1 1
4 770 1 1 13 THR N N 4.509 6.251 6.216 1.00 . A A . 13 THR N 1 1
4 771 1 1 13 THR O O 5.175 6.704 9.171 1.00 . A A . 13 THR O 1 1
4 772 1 1 13 THR OG1 O 2.824 5.071 8.193 1.00 . A A . 13 THR OG1 1 1
4 773 1 1 14 ALA C C 6.018 10.763 9.446 1.00 . A A . 14 ALA C 1 1
4 774 1 1 14 ALA CA C 6.350 9.285 9.155 1.00 . A A . 14 ALA CA 1 1
4 775 1 1 14 ALA CB C 7.771 9.120 8.581 1.00 . A A . 14 ALA CB 1 1
4 776 1 1 14 ALA H H 5.018 9.274 7.389 1.00 . A A . 14 ALA H 1 1
4 777 1 1 14 ALA HXT H 5.390 11.877 10.901 1.00 . A A . 14 ALA HXT 1 1
4 778 1 1 14 ALA HA H 6.311 8.729 10.113 1.00 . A A . 14 ALA HA 1 1
4 779 1 1 14 ALA HB1 H 8.014 8.056 8.401 1.00 . A A . 14 ALA HB1 1 1
4 780 1 1 14 ALA HB2 H 7.901 9.653 7.620 1.00 . A A . 14 ALA HB2 1 1
4 781 1 1 14 ALA HB3 H 8.537 9.508 9.276 1.00 . A A . 14 ALA HB3 1 1
4 782 1 1 14 ALA N N 5.349 8.744 8.202 1.00 . A A . 14 ALA N 1 1
4 783 1 1 14 ALA O O 6.116 11.670 8.618 1.00 . A A . 14 ALA O 1 1
4 784 1 1 14 ALA OXT O 5.594 10.955 10.736 1.00 . A A . 14 ALA OXT 1 1
5 785 1 1 1 ACE C C -3.999 7.021 3.048 1.00 . A A . 1 ACE C 1 1
5 786 1 1 1 ACE CH3 C -4.325 7.923 4.235 1.00 . A A . 1 ACE CH3 1 1
5 787 1 1 1 ACE H1 H -4.972 8.765 3.928 1.00 . A A . 1 ACE H1 1 1
5 788 1 1 1 ACE H2 H -4.861 7.369 5.028 1.00 . A A . 1 ACE H2 1 1
5 789 1 1 1 ACE H3 H -3.410 8.358 4.678 1.00 . A A . 1 ACE H3 1 1
5 790 1 1 1 ACE O O -4.468 7.262 1.934 1.00 . A A . 1 ACE O 1 1
5 791 1 1 2 ILE C C -3.444 3.650 2.707 1.00 . A A . 2 ILE C 1 1
5 792 1 1 2 ILE CA C -2.766 4.992 2.292 1.00 . A A . 2 ILE CA 1 1
5 793 1 1 2 ILE CB C -1.211 4.874 2.163 1.00 . A A . 2 ILE CB 1 1
5 794 1 1 2 ILE CD1 C -0.736 7.065 0.766 1.00 . A A . 2 ILE CD1 1 1
5 795 1 1 2 ILE CG1 C -0.417 6.207 2.005 1.00 . A A . 2 ILE CG1 1 1
5 796 1 1 2 ILE CG2 C -0.783 3.878 1.054 1.00 . A A . 2 ILE CG2 1 1
5 797 1 1 2 ILE H H -2.960 5.874 4.311 1.00 . A A . 2 ILE H 1 1
5 798 1 1 2 ILE HA H -3.125 5.298 1.286 1.00 . A A . 2 ILE HA 1 1
5 799 1 1 2 ILE HB H -0.889 4.432 3.120 1.00 . A A . 2 ILE HB 1 1
5 800 1 1 2 ILE HD11 H -0.514 6.529 -0.175 1.00 . A A . 2 ILE HD11 1 1
5 801 1 1 2 ILE HD12 H -1.800 7.365 0.736 1.00 . A A . 2 ILE HD12 1 1
5 802 1 1 2 ILE HD13 H -0.136 7.992 0.761 1.00 . A A . 2 ILE HD13 1 1
5 803 1 1 2 ILE HG12 H -0.572 6.829 2.905 1.00 . A A . 2 ILE HG12 1 1
5 804 1 1 2 ILE HG13 H 0.668 5.990 2.012 1.00 . A A . 2 ILE HG13 1 1
5 805 1 1 2 ILE HG21 H 0.316 3.766 1.001 1.00 . A A . 2 ILE HG21 1 1
5 806 1 1 2 ILE HG22 H -1.193 2.864 1.218 1.00 . A A . 2 ILE HG22 1 1
5 807 1 1 2 ILE HG23 H -1.127 4.199 0.056 1.00 . A A . 2 ILE HG23 1 1
5 808 1 1 2 ILE N N -3.192 5.986 3.319 1.00 . A A . 2 ILE N 1 1
5 809 1 1 2 ILE O O -2.966 2.917 3.580 1.00 . A A . 2 ILE O 1 1
5 810 1 1 3 TRP C C -4.929 1.022 1.305 1.00 . A A . 3 TRP C 1 1
5 811 1 1 3 TRP CA C -5.381 2.145 2.280 1.00 . A A . 3 TRP CA 1 1
5 812 1 1 3 TRP CB C -6.891 2.494 2.151 1.00 . A A . 3 TRP CB 1 1
5 813 1 1 3 TRP CD1 C -7.150 4.638 3.668 1.00 . A A . 3 TRP CD1 1 1
5 814 1 1 3 TRP CD2 C -8.406 2.902 4.271 1.00 . A A . 3 TRP CD2 1 1
5 815 1 1 3 TRP CE2 C -8.623 3.985 5.163 1.00 . A A . 3 TRP CE2 1 1
5 816 1 1 3 TRP CE3 C -9.090 1.671 4.460 1.00 . A A . 3 TRP CE3 1 1
5 817 1 1 3 TRP CG C -7.479 3.305 3.323 1.00 . A A . 3 TRP CG 1 1
5 818 1 1 3 TRP CH2 C -10.188 2.628 6.413 1.00 . A A . 3 TRP CH2 1 1
5 819 1 1 3 TRP CZ2 C -9.524 3.844 6.246 1.00 . A A . 3 TRP CZ2 1 1
5 820 1 1 3 TRP CZ3 C -9.974 1.559 5.533 1.00 . A A . 3 TRP CZ3 1 1
5 821 1 1 3 TRP H H -4.887 4.132 1.469 1.00 . A A . 3 TRP H 1 1
5 822 1 1 3 TRP HA H -5.224 1.825 3.323 1.00 . A A . 3 TRP HA 1 1
5 823 1 1 3 TRP HB2 H -7.087 3.027 1.200 1.00 . A A . 3 TRP HB2 1 1
5 824 1 1 3 TRP HB3 H -7.467 1.554 2.052 1.00 . A A . 3 TRP HB3 1 1
5 825 1 1 3 TRP HD1 H -6.408 5.234 3.153 1.00 . A A . 3 TRP HD1 1 1
5 826 1 1 3 TRP HE1 H -7.788 5.987 5.274 1.00 . A A . 3 TRP HE1 1 1
5 827 1 1 3 TRP HE3 H -8.934 0.836 3.793 1.00 . A A . 3 TRP HE3 1 1
5 828 1 1 3 TRP HH2 H -10.878 2.509 7.235 1.00 . A A . 3 TRP HH2 1 1
5 829 1 1 3 TRP HZ2 H -9.695 4.660 6.932 1.00 . A A . 3 TRP HZ2 1 1
5 830 1 1 3 TRP HZ3 H -10.502 0.629 5.690 1.00 . A A . 3 TRP HZ3 1 1
5 831 1 1 3 TRP N N -4.561 3.355 2.038 1.00 . A A . 3 TRP N 1 1
5 832 1 1 3 TRP NE1 N -7.850 5.075 4.805 1.00 . A A . 3 TRP NE1 1 1
5 833 1 1 3 TRP O O -5.168 1.100 0.094 1.00 . A A . 3 TRP O 1 1
5 834 1 1 4 GLY C C -2.249 -0.936 0.794 1.00 . A A . 4 GLY C 1 1
5 835 1 1 4 GLY CA C -3.749 -1.152 1.065 1.00 . A A . 4 GLY CA 1 1
5 836 1 1 4 GLY H H -4.117 0.065 2.868 1.00 . A A . 4 GLY H 1 1
5 837 1 1 4 GLY HA2 H -3.935 -2.095 1.613 1.00 . A A . 4 GLY HA2 1 1
5 838 1 1 4 GLY HA3 H -4.284 -1.269 0.102 1.00 . A A . 4 GLY HA3 1 1
5 839 1 1 4 GLY N N -4.274 -0.015 1.858 1.00 . A A . 4 GLY N 1 1
5 840 1 1 4 GLY O O -1.900 -0.153 -0.093 1.00 . A A . 4 GLY O 1 1
5 841 1 1 5 BCX C C 2.152 -2.423 0.167 1.00 . A A . 5 BCX C 1 1
5 842 1 1 5 BCX CA C 0.088 -1.494 1.415 1.00 . A A . 5 BCX CA 1 1
5 843 1 1 5 BCX CB C 0.711 -1.214 2.807 1.00 . A A . 5 BCX CB 1 1
5 844 1 1 5 BCX CC C 0.723 -2.697 0.701 1.00 . A A . 5 BCX CC 1 1
5 845 1 1 5 BCX H H -1.809 -2.236 2.263 1.00 . A A . 5 BCX H 1 1
5 846 1 1 5 BCX HA H 0.326 -0.661 0.744 1.00 . A A . 5 BCX HA 1 1
5 847 1 1 5 BCX HB2 H 0.782 -2.137 3.408 1.00 . A A . 5 BCX HB2 1 1
5 848 1 1 5 BCX HB3 H 1.745 -0.831 2.704 1.00 . A A . 5 BCX HB3 1 1
5 849 1 1 5 BCX HC1 H 0.103 -2.955 -0.181 1.00 . A A . 5 BCX HC1 1 1
5 850 1 1 5 BCX HC2 H 0.664 -3.590 1.353 1.00 . A A . 5 BCX HC2 1 1
5 851 1 1 5 BCX N N -1.382 -1.635 1.552 1.00 . A A . 5 BCX N 1 1
5 852 1 1 5 BCX O O 2.409 -1.424 -0.507 1.00 . A A . 5 BCX O 1 1
5 853 1 1 5 BCX SG S -0.229 -0.015 3.778 1.00 . A A . 5 BCX SG 1 1
5 854 1 1 6 SER C C 3.619 -4.411 -1.834 1.00 . A A . 6 SER C 1 1
5 855 1 1 6 SER CA C 4.163 -3.663 -0.579 1.00 . A A . 6 SER CA 1 1
5 856 1 1 6 SER CB C 5.284 -4.407 0.180 1.00 . A A . 6 SER CB 1 1
5 857 1 1 6 SER H H 2.539 -4.175 0.839 1.00 . A A . 6 SER H 1 1
5 858 1 1 6 SER HA H 4.605 -2.692 -0.886 1.00 . A A . 6 SER HA 1 1
5 859 1 1 6 SER HB2 H 5.617 -3.818 1.057 1.00 . A A . 6 SER HB2 1 1
5 860 1 1 6 SER HB3 H 4.934 -5.377 0.582 1.00 . A A . 6 SER HB3 1 1
5 861 1 1 6 SER HG H 6.108 -5.219 -1.361 1.00 . A A . 6 SER HG 1 1
5 862 1 1 6 SER N N 3.019 -3.420 0.349 1.00 . A A . 6 SER N 1 1
5 863 1 1 6 SER O O 3.588 -5.643 -1.895 1.00 . A A . 6 SER O 1 1
5 864 1 1 6 SER OG O 6.407 -4.626 -0.667 1.00 . A A . 6 SER OG 1 1
5 865 1 1 7 GLY C C 1.434 -3.159 -4.527 1.00 . A A . 7 GLY C 1 1
5 866 1 1 7 GLY CA C 2.560 -4.115 -4.065 1.00 . A A . 7 GLY CA 1 1
5 867 1 1 7 GLY H H 3.191 -2.605 -2.597 1.00 . A A . 7 GLY H 1 1
5 868 1 1 7 GLY HA2 H 3.327 -4.203 -4.856 1.00 . A A . 7 GLY HA2 1 1
5 869 1 1 7 GLY HA3 H 2.135 -5.129 -3.936 1.00 . A A . 7 GLY HA3 1 1
5 870 1 1 7 GLY N N 3.189 -3.611 -2.820 1.00 . A A . 7 GLY N 1 1
5 871 1 1 7 GLY O O 1.407 -2.768 -5.697 1.00 . A A . 7 GLY O 1 1
5 872 1 1 8 LYS C C -0.041 -0.404 -3.903 1.00 . A A . 8 LYS C 1 1
5 873 1 1 8 LYS CA C -0.611 -1.859 -3.887 1.00 . A A . 8 LYS CA 1 1
5 874 1 1 8 LYS CB C -1.765 -2.084 -2.860 1.00 . A A . 8 LYS CB 1 1
5 875 1 1 8 LYS CD C -3.674 -3.555 -1.988 1.00 . A A . 8 LYS CD 1 1
5 876 1 1 8 LYS CE C -4.474 -4.857 -2.161 1.00 . A A . 8 LYS CE 1 1
5 877 1 1 8 LYS CG C -2.569 -3.389 -3.050 1.00 . A A . 8 LYS CG 1 1
5 878 1 1 8 LYS H H 0.728 -3.062 -2.649 1.00 . A A . 8 LYS H 1 1
5 879 1 1 8 LYS HA H -1.023 -2.062 -4.895 1.00 . A A . 8 LYS HA 1 1
5 880 1 1 8 LYS HB2 H -1.368 -2.055 -1.826 1.00 . A A . 8 LYS HB2 1 1
5 881 1 1 8 LYS HB3 H -2.476 -1.236 -2.905 1.00 . A A . 8 LYS HB3 1 1
5 882 1 1 8 LYS HD2 H -3.219 -3.530 -0.979 1.00 . A A . 8 LYS HD2 1 1
5 883 1 1 8 LYS HD3 H -4.359 -2.686 -2.032 1.00 . A A . 8 LYS HD3 1 1
5 884 1 1 8 LYS HE2 H -4.946 -4.892 -3.160 1.00 . A A . 8 LYS HE2 1 1
5 885 1 1 8 LYS HE3 H -3.802 -5.734 -2.103 1.00 . A A . 8 LYS HE3 1 1
5 886 1 1 8 LYS HG2 H -3.016 -3.405 -4.061 1.00 . A A . 8 LYS HG2 1 1
5 887 1 1 8 LYS HG3 H -1.885 -4.257 -3.008 1.00 . A A . 8 LYS HG3 1 1
5 888 1 1 8 LYS HZ1 H -6.065 -5.833 -1.268 1.00 . A A . 8 LYS HZ1 1 1
5 889 1 1 8 LYS HZ2 H -6.184 -4.204 -1.202 1.00 . A A . 8 LYS HZ2 1 1
5 890 1 1 8 LYS N N 0.500 -2.804 -3.614 1.00 . A A . 8 LYS N 1 1
5 891 1 1 8 LYS NZ N -5.515 -4.978 -1.124 1.00 . A A . 8 LYS NZ 1 1
5 892 1 1 8 LYS O O -0.011 0.202 -4.978 1.00 . A A . 8 LYS O 1 1
5 893 1 1 9 LEU C C 1.706 1.557 -1.275 1.00 . A A . 9 LEU C 1 1
5 894 1 1 9 LEU CA C 1.008 1.504 -2.662 1.00 . A A . 9 LEU CA 1 1
5 895 1 1 9 LEU CB C -0.123 2.553 -2.808 1.00 . A A . 9 LEU CB 1 1
5 896 1 1 9 LEU CD1 C 1.296 4.479 -3.799 1.00 . A A . 9 LEU CD1 1 1
5 897 1 1 9 LEU CD2 C -1.003 4.933 -2.878 1.00 . A A . 9 LEU CD2 1 1
5 898 1 1 9 LEU CG C 0.258 4.058 -2.739 1.00 . A A . 9 LEU CG 1 1
5 899 1 1 9 LEU H H 0.344 -0.406 -1.896 1.00 . A A . 9 LEU H 1 1
5 900 1 1 9 LEU HA H 1.733 1.641 -3.488 1.00 . A A . 9 LEU HA 1 1
5 901 1 1 9 LEU HB2 H -0.626 2.353 -3.773 1.00 . A A . 9 LEU HB2 1 1
5 902 1 1 9 LEU HB3 H -0.880 2.317 -2.035 1.00 . A A . 9 LEU HB3 1 1
5 903 1 1 9 LEU HD11 H 1.531 5.558 -3.737 1.00 . A A . 9 LEU HD11 1 1
5 904 1 1 9 LEU HD12 H 2.255 3.945 -3.667 1.00 . A A . 9 LEU HD12 1 1
5 905 1 1 9 LEU HD13 H 0.945 4.276 -4.828 1.00 . A A . 9 LEU HD13 1 1
5 906 1 1 9 LEU HD21 H -0.771 6.007 -2.750 1.00 . A A . 9 LEU HD21 1 1
5 907 1 1 9 LEU HD22 H -1.482 4.816 -3.869 1.00 . A A . 9 LEU HD22 1 1
5 908 1 1 9 LEU HD23 H -1.766 4.682 -2.118 1.00 . A A . 9 LEU HD23 1 1
5 909 1 1 9 LEU HG H 0.694 4.259 -1.741 1.00 . A A . 9 LEU HG 1 1
5 910 1 1 9 LEU N N 0.437 0.140 -2.757 1.00 . A A . 9 LEU N 1 1
5 911 1 1 9 LEU O O 1.031 1.461 -0.243 1.00 . A A . 9 LEU O 1 1
5 912 1 1 10 ILE C C 3.328 2.831 1.075 1.00 . A A . 10 ILE C 1 1
5 913 1 1 10 ILE CA C 3.831 1.769 0.035 1.00 . A A . 10 ILE CA 1 1
5 914 1 1 10 ILE CB C 5.386 1.788 -0.211 1.00 . A A . 10 ILE CB 1 1
5 915 1 1 10 ILE CD1 C 5.790 4.288 -0.923 1.00 . A A . 10 ILE CD1 1 1
5 916 1 1 10 ILE CG1 C 5.962 2.800 -1.251 1.00 . A A . 10 ILE CG1 1 1
5 917 1 1 10 ILE CG2 C 5.899 0.373 -0.579 1.00 . A A . 10 ILE CG2 1 1
5 918 1 1 10 ILE H H 3.511 1.744 -2.149 1.00 . A A . 10 ILE H 1 1
5 919 1 1 10 ILE HA H 3.622 0.782 0.500 1.00 . A A . 10 ILE HA 1 1
5 920 1 1 10 ILE HB H 5.869 2.021 0.757 1.00 . A A . 10 ILE HB 1 1
5 921 1 1 10 ILE HD11 H 6.154 4.525 0.092 1.00 . A A . 10 ILE HD11 1 1
5 922 1 1 10 ILE HD12 H 6.358 4.919 -1.631 1.00 . A A . 10 ILE HD12 1 1
5 923 1 1 10 ILE HD13 H 4.735 4.606 -0.993 1.00 . A A . 10 ILE HD13 1 1
5 924 1 1 10 ILE HG12 H 7.049 2.624 -1.364 1.00 . A A . 10 ILE HG12 1 1
5 925 1 1 10 ILE HG13 H 5.540 2.603 -2.255 1.00 . A A . 10 ILE HG13 1 1
5 926 1 1 10 ILE HG21 H 7.003 0.337 -0.655 1.00 . A A . 10 ILE HG21 1 1
5 927 1 1 10 ILE HG22 H 5.618 -0.378 0.184 1.00 . A A . 10 ILE HG22 1 1
5 928 1 1 10 ILE HG23 H 5.493 0.020 -1.545 1.00 . A A . 10 ILE HG23 1 1
5 929 1 1 10 ILE N N 3.043 1.731 -1.239 1.00 . A A . 10 ILE N 1 1
5 930 1 1 10 ILE O O 3.050 3.987 0.742 1.00 . A A . 10 ILE O 1 1
5 931 1 1 11 CYS C C 3.856 3.814 4.267 1.00 . A A . 11 CYS C 1 1
5 932 1 1 11 CYS CA C 2.681 3.217 3.452 1.00 . A A . 11 CYS CA 1 1
5 933 1 1 11 CYS CB C 1.730 2.345 4.297 1.00 . A A . 11 CYS CB 1 1
5 934 1 1 11 CYS H H 3.587 1.461 2.510 1.00 . A A . 11 CYS H 1 1
5 935 1 1 11 CYS HA H 2.041 4.029 3.055 1.00 . A A . 11 CYS HA 1 1
5 936 1 1 11 CYS HB2 H 2.241 1.449 4.701 1.00 . A A . 11 CYS HB2 1 1
5 937 1 1 11 CYS HB3 H 1.347 2.907 5.170 1.00 . A A . 11 CYS HB3 1 1
5 938 1 1 11 CYS N N 3.184 2.384 2.337 1.00 . A A . 11 CYS N 1 1
5 939 1 1 11 CYS O O 4.392 3.189 5.189 1.00 . A A . 11 CYS O 1 1
5 940 1 1 11 CYS SG S 0.328 1.832 3.284 1.00 . A A . 11 CYS SG 1 1
5 941 1 1 12 THR C C 4.932 6.272 5.990 1.00 . A A . 12 THR C 1 1
5 942 1 1 12 THR CA C 5.340 5.805 4.557 1.00 . A A . 12 THR CA 1 1
5 943 1 1 12 THR CB C 5.812 7.012 3.689 1.00 . A A . 12 THR CB 1 1
5 944 1 1 12 THR CG2 C 6.418 6.642 2.325 1.00 . A A . 12 THR CG2 1 1
5 945 1 1 12 THR H H 3.854 5.329 2.994 1.00 . A A . 12 THR H 1 1
5 946 1 1 12 THR HA H 6.207 5.120 4.622 1.00 . A A . 12 THR HA 1 1
5 947 1 1 12 THR HB H 6.603 7.547 4.251 1.00 . A A . 12 THR HB 1 1
5 948 1 1 12 THR HG1 H 4.285 7.993 4.314 1.00 . A A . 12 THR HG1 1 1
5 949 1 1 12 THR HG21 H 5.667 6.174 1.661 1.00 . A A . 12 THR HG21 1 1
5 950 1 1 12 THR HG22 H 6.801 7.536 1.800 1.00 . A A . 12 THR HG22 1 1
5 951 1 1 12 THR HG23 H 7.261 5.935 2.427 1.00 . A A . 12 THR HG23 1 1
5 952 1 1 12 THR N N 4.231 5.053 3.905 1.00 . A A . 12 THR N 1 1
5 953 1 1 12 THR O O 4.154 7.218 6.152 1.00 . A A . 12 THR O 1 1
5 954 1 1 12 THR OG1 O 4.742 7.928 3.469 1.00 . A A . 12 THR OG1 1 1
5 955 1 1 13 THR C C 6.494 5.674 9.228 1.00 . A A . 13 THR C 1 1
5 956 1 1 13 THR CA C 5.168 5.871 8.441 1.00 . A A . 13 THR CA 1 1
5 957 1 1 13 THR CB C 4.017 4.975 8.993 1.00 . A A . 13 THR CB 1 1
5 958 1 1 13 THR CG2 C 2.606 5.399 8.548 1.00 . A A . 13 THR CG2 1 1
5 959 1 1 13 THR H H 6.057 4.789 6.764 1.00 . A A . 13 THR H 1 1
5 960 1 1 13 THR HA H 4.845 6.926 8.556 1.00 . A A . 13 THR HA 1 1
5 961 1 1 13 THR HB H 4.046 5.041 10.092 1.00 . A A . 13 THR HB 1 1
5 962 1 1 13 THR HG1 H 4.187 3.592 7.672 1.00 . A A . 13 THR HG1 1 1
5 963 1 1 13 THR HG21 H 1.831 4.771 9.023 1.00 . A A . 13 THR HG21 1 1
5 964 1 1 13 THR HG22 H 2.389 6.448 8.823 1.00 . A A . 13 THR HG22 1 1
5 965 1 1 13 THR HG23 H 2.473 5.310 7.454 1.00 . A A . 13 THR HG23 1 1
5 966 1 1 13 THR N N 5.461 5.582 7.014 1.00 . A A . 13 THR N 1 1
5 967 1 1 13 THR O O 6.921 4.544 9.493 1.00 . A A . 13 THR O 1 1
5 968 1 1 13 THR OG1 O 4.193 3.606 8.634 1.00 . A A . 13 THR OG1 1 1
5 969 1 1 14 ALA C C 8.207 6.661 11.880 1.00 . A A . 14 ALA C 1 1
5 970 1 1 14 ALA CA C 8.417 6.787 10.352 1.00 . A A . 14 ALA CA 1 1
5 971 1 1 14 ALA CB C 9.219 8.049 9.984 1.00 . A A . 14 ALA CB 1 1
5 972 1 1 14 ALA H H 6.707 7.654 9.243 1.00 . A A . 14 ALA H 1 1
5 973 1 1 14 ALA HXT H 7.148 8.285 11.728 1.00 . A A . 14 ALA HXT 1 1
5 974 1 1 14 ALA HA H 9.028 5.921 10.029 1.00 . A A . 14 ALA HA 1 1
5 975 1 1 14 ALA HB1 H 8.695 8.983 10.259 1.00 . A A . 14 ALA HB1 1 1
5 976 1 1 14 ALA HB2 H 10.202 8.066 10.492 1.00 . A A . 14 ALA HB2 1 1
5 977 1 1 14 ALA HB3 H 9.427 8.099 8.897 1.00 . A A . 14 ALA HB3 1 1
5 978 1 1 14 ALA N N 7.138 6.796 9.598 1.00 . A A . 14 ALA N 1 1
5 979 1 1 14 ALA O O 8.686 5.745 12.545 1.00 . A A . 14 ALA O 1 1
5 980 1 1 14 ALA OXT O 7.438 7.671 12.406 1.00 . A A . 14 ALA OXT 1 1
6 981 1 1 1 ACE C C -0.755 1.549 7.488 1.00 . A A . 1 ACE C 1 1
6 982 1 1 1 ACE CH3 C 0.119 2.610 8.151 1.00 . A A . 1 ACE CH3 1 1
6 983 1 1 1 ACE H1 H 1.103 2.681 7.654 1.00 . A A . 1 ACE H1 1 1
6 984 1 1 1 ACE H2 H -0.346 3.612 8.102 1.00 . A A . 1 ACE H2 1 1
6 985 1 1 1 ACE H3 H 0.303 2.371 9.215 1.00 . A A . 1 ACE H3 1 1
6 986 1 1 1 ACE O O -0.299 0.842 6.588 1.00 . A A . 1 ACE O 1 1
6 987 1 1 2 ILE C C -3.979 1.172 6.399 1.00 . A A . 2 ILE C 1 1
6 988 1 1 2 ILE CA C -3.016 0.488 7.425 1.00 . A A . 2 ILE CA 1 1
6 989 1 1 2 ILE CB C -3.734 -0.306 8.584 1.00 . A A . 2 ILE CB 1 1
6 990 1 1 2 ILE CD1 C -5.143 1.621 9.712 1.00 . A A . 2 ILE CD1 1 1
6 991 1 1 2 ILE CG1 C -4.155 0.460 9.881 1.00 . A A . 2 ILE CG1 1 1
6 992 1 1 2 ILE CG2 C -2.889 -1.531 9.013 1.00 . A A . 2 ILE CG2 1 1
6 993 1 1 2 ILE H H -2.235 2.123 8.701 1.00 . A A . 2 ILE H 1 1
6 994 1 1 2 ILE HA H -2.487 -0.288 6.830 1.00 . A A . 2 ILE HA 1 1
6 995 1 1 2 ILE HB H -4.660 -0.733 8.153 1.00 . A A . 2 ILE HB 1 1
6 996 1 1 2 ILE HD11 H -4.710 2.443 9.114 1.00 . A A . 2 ILE HD11 1 1
6 997 1 1 2 ILE HD12 H -6.074 1.296 9.214 1.00 . A A . 2 ILE HD12 1 1
6 998 1 1 2 ILE HD13 H -5.426 2.050 10.690 1.00 . A A . 2 ILE HD13 1 1
6 999 1 1 2 ILE HG12 H -4.616 -0.255 10.592 1.00 . A A . 2 ILE HG12 1 1
6 1000 1 1 2 ILE HG13 H -3.256 0.836 10.406 1.00 . A A . 2 ILE HG13 1 1
6 1001 1 1 2 ILE HG21 H -3.415 -2.161 9.755 1.00 . A A . 2 ILE HG21 1 1
6 1002 1 1 2 ILE HG22 H -2.659 -2.192 8.156 1.00 . A A . 2 ILE HG22 1 1
6 1003 1 1 2 ILE HG23 H -1.923 -1.232 9.462 1.00 . A A . 2 ILE HG23 1 1
6 1004 1 1 2 ILE N N -2.011 1.466 7.946 1.00 . A A . 2 ILE N 1 1
6 1005 1 1 2 ILE O O -5.125 1.513 6.702 1.00 . A A . 2 ILE O 1 1
6 1006 1 1 3 TRP C C -3.853 1.364 2.666 1.00 . A A . 3 TRP C 1 1
6 1007 1 1 3 TRP CA C -4.253 1.976 4.045 1.00 . A A . 3 TRP CA 1 1
6 1008 1 1 3 TRP CB C -4.176 3.537 4.126 1.00 . A A . 3 TRP CB 1 1
6 1009 1 1 3 TRP CD1 C -2.187 4.433 5.570 1.00 . A A . 3 TRP CD1 1 1
6 1010 1 1 3 TRP CD2 C -1.941 4.788 3.386 1.00 . A A . 3 TRP CD2 1 1
6 1011 1 1 3 TRP CE2 C -0.823 5.311 4.090 1.00 . A A . 3 TRP CE2 1 1
6 1012 1 1 3 TRP CE3 C -2.019 4.919 1.975 1.00 . A A . 3 TRP CE3 1 1
6 1013 1 1 3 TRP CG C -2.804 4.222 4.316 1.00 . A A . 3 TRP CG 1 1
6 1014 1 1 3 TRP CH2 C 0.136 6.055 1.999 1.00 . A A . 3 TRP CH2 1 1
6 1015 1 1 3 TRP CZ2 C 0.223 5.956 3.387 1.00 . A A . 3 TRP CZ2 1 1
6 1016 1 1 3 TRP CZ3 C -0.968 5.547 1.305 1.00 . A A . 3 TRP CZ3 1 1
6 1017 1 1 3 TRP H H -2.510 1.131 5.038 1.00 . A A . 3 TRP H 1 1
6 1018 1 1 3 TRP HA H -5.311 1.707 4.177 1.00 . A A . 3 TRP HA 1 1
6 1019 1 1 3 TRP HB2 H -4.675 3.965 3.240 1.00 . A A . 3 TRP HB2 1 1
6 1020 1 1 3 TRP HB3 H -4.817 3.849 4.972 1.00 . A A . 3 TRP HB3 1 1
6 1021 1 1 3 TRP HD1 H -2.608 4.115 6.514 1.00 . A A . 3 TRP HD1 1 1
6 1022 1 1 3 TRP HE1 H -0.310 5.377 6.197 1.00 . A A . 3 TRP HE1 1 1
6 1023 1 1 3 TRP HE3 H -2.871 4.548 1.425 1.00 . A A . 3 TRP HE3 1 1
6 1024 1 1 3 TRP HH2 H 0.933 6.534 1.449 1.00 . A A . 3 TRP HH2 1 1
6 1025 1 1 3 TRP HZ2 H 1.079 6.354 3.912 1.00 . A A . 3 TRP HZ2 1 1
6 1026 1 1 3 TRP HZ3 H -1.011 5.652 0.232 1.00 . A A . 3 TRP HZ3 1 1
6 1027 1 1 3 TRP N N -3.497 1.341 5.153 1.00 . A A . 3 TRP N 1 1
6 1028 1 1 3 TRP NE1 N -0.954 5.097 5.450 1.00 . A A . 3 TRP NE1 1 1
6 1029 1 1 3 TRP O O -3.344 2.067 1.789 1.00 . A A . 3 TRP O 1 1
6 1030 1 1 4 GLY C C -2.254 -0.621 0.850 1.00 . A A . 4 GLY C 1 1
6 1031 1 1 4 GLY CA C -3.761 -0.662 1.194 1.00 . A A . 4 GLY CA 1 1
6 1032 1 1 4 GLY H H -4.531 -0.435 3.257 1.00 . A A . 4 GLY H 1 1
6 1033 1 1 4 GLY HA2 H -4.107 -1.711 1.259 1.00 . A A . 4 GLY HA2 1 1
6 1034 1 1 4 GLY HA3 H -4.340 -0.221 0.360 1.00 . A A . 4 GLY HA3 1 1
6 1035 1 1 4 GLY N N -4.104 0.047 2.459 1.00 . A A . 4 GLY N 1 1
6 1036 1 1 4 GLY O O -1.864 0.136 -0.042 1.00 . A A . 4 GLY O 1 1
6 1037 1 1 5 BCX C C 2.088 -2.449 0.221 1.00 . A A . 5 BCX C 1 1
6 1038 1 1 5 BCX CA C 0.030 -1.424 1.366 1.00 . A A . 5 BCX CA 1 1
6 1039 1 1 5 BCX CB C 0.656 -1.111 2.750 1.00 . A A . 5 BCX CB 1 1
6 1040 1 1 5 BCX CC C 0.628 -2.671 0.706 1.00 . A A . 5 BCX CC 1 1
6 1041 1 1 5 BCX H H -1.899 -1.997 2.271 1.00 . A A . 5 BCX H 1 1
6 1042 1 1 5 BCX HA H 0.315 -0.632 0.665 1.00 . A A . 5 BCX HA 1 1
6 1043 1 1 5 BCX HB2 H 0.697 -2.015 3.384 1.00 . A A . 5 BCX HB2 1 1
6 1044 1 1 5 BCX HB3 H 1.702 -0.763 2.642 1.00 . A A . 5 BCX HB3 1 1
6 1045 1 1 5 BCX HC1 H 0.019 -2.925 -0.184 1.00 . A A . 5 BCX HC1 1 1
6 1046 1 1 5 BCX HC2 H 0.518 -3.541 1.382 1.00 . A A . 5 BCX HC2 1 1
6 1047 1 1 5 BCX N N -1.441 -1.442 1.540 1.00 . A A . 5 BCX N 1 1
6 1048 1 1 5 BCX O O 2.409 -1.453 -0.432 1.00 . A A . 5 BCX O 1 1
6 1049 1 1 5 BCX SG S -0.266 0.146 3.666 1.00 . A A . 5 BCX SG 1 1
6 1050 1 1 6 SER C C 3.605 -4.416 -1.782 1.00 . A A . 6 SER C 1 1
6 1051 1 1 6 SER CA C 4.083 -3.746 -0.460 1.00 . A A . 6 SER CA 1 1
6 1052 1 1 6 SER CB C 5.135 -4.559 0.330 1.00 . A A . 6 SER CB 1 1
6 1053 1 1 6 SER H H 2.382 -4.222 0.893 1.00 . A A . 6 SER H 1 1
6 1054 1 1 6 SER HA H 4.580 -2.784 -0.701 1.00 . A A . 6 SER HA 1 1
6 1055 1 1 6 SER HB2 H 5.439 -4.016 1.247 1.00 . A A . 6 SER HB2 1 1
6 1056 1 1 6 SER HB3 H 4.731 -5.530 0.671 1.00 . A A . 6 SER HB3 1 1
6 1057 1 1 6 SER HG H 6.015 -5.334 -1.200 1.00 . A A . 6 SER HG 1 1
6 1058 1 1 6 SER N N 2.903 -3.485 0.418 1.00 . A A . 6 SER N 1 1
6 1059 1 1 6 SER O O 3.575 -5.645 -1.910 1.00 . A A . 6 SER O 1 1
6 1060 1 1 6 SER OG O 6.297 -4.786 -0.462 1.00 . A A . 6 SER OG 1 1
6 1061 1 1 7 GLY C C 1.557 -3.074 -4.529 1.00 . A A . 7 GLY C 1 1
6 1062 1 1 7 GLY CA C 2.693 -4.011 -4.058 1.00 . A A . 7 GLY CA 1 1
6 1063 1 1 7 GLY H H 3.148 -2.579 -2.460 1.00 . A A . 7 GLY H 1 1
6 1064 1 1 7 GLY HA2 H 3.505 -4.023 -4.809 1.00 . A A . 7 GLY HA2 1 1
6 1065 1 1 7 GLY HA3 H 2.302 -5.047 -4.017 1.00 . A A . 7 GLY HA3 1 1
6 1066 1 1 7 GLY N N 3.240 -3.564 -2.753 1.00 . A A . 7 GLY N 1 1
6 1067 1 1 7 GLY O O 1.558 -2.644 -5.684 1.00 . A A . 7 GLY O 1 1
6 1068 1 1 8 LYS C C -0.055 -0.394 -3.927 1.00 . A A . 8 LYS C 1 1
6 1069 1 1 8 LYS CA C -0.551 -1.874 -3.914 1.00 . A A . 8 LYS CA 1 1
6 1070 1 1 8 LYS CB C -1.663 -2.175 -2.864 1.00 . A A . 8 LYS CB 1 1
6 1071 1 1 8 LYS CD C -4.167 -2.070 -2.303 1.00 . A A . 8 LYS CD 1 1
6 1072 1 1 8 LYS CE C -5.482 -1.293 -2.488 1.00 . A A . 8 LYS CE 1 1
6 1073 1 1 8 LYS CG C -3.029 -1.533 -3.192 1.00 . A A . 8 LYS CG 1 1
6 1074 1 1 8 LYS H H 0.774 -3.096 -2.680 1.00 . A A . 8 LYS H 1 1
6 1075 1 1 8 LYS HA H -0.956 -2.115 -4.917 1.00 . A A . 8 LYS HA 1 1
6 1076 1 1 8 LYS HB2 H -1.796 -3.267 -2.754 1.00 . A A . 8 LYS HB2 1 1
6 1077 1 1 8 LYS HB3 H -1.338 -1.842 -1.854 1.00 . A A . 8 LYS HB3 1 1
6 1078 1 1 8 LYS HD2 H -4.326 -3.143 -2.523 1.00 . A A . 8 LYS HD2 1 1
6 1079 1 1 8 LYS HD3 H -3.856 -2.029 -1.244 1.00 . A A . 8 LYS HD3 1 1
6 1080 1 1 8 LYS HE2 H -5.330 -0.220 -2.268 1.00 . A A . 8 LYS HE2 1 1
6 1081 1 1 8 LYS HE3 H -5.822 -1.351 -3.540 1.00 . A A . 8 LYS HE3 1 1
6 1082 1 1 8 LYS HG2 H -2.945 -0.434 -3.080 1.00 . A A . 8 LYS HG2 1 1
6 1083 1 1 8 LYS HG3 H -3.289 -1.709 -4.253 1.00 . A A . 8 LYS HG3 1 1
6 1084 1 1 8 LYS HZ1 H -6.732 -2.803 -1.830 1.00 . A A . 8 LYS HZ1 1 1
6 1085 1 1 8 LYS HZ2 H -7.418 -1.321 -1.760 1.00 . A A . 8 LYS HZ2 1 1
6 1086 1 1 8 LYS N N 0.583 -2.784 -3.637 1.00 . A A . 8 LYS N 1 1
6 1087 1 1 8 LYS NZ N -6.535 -1.822 -1.603 1.00 . A A . 8 LYS NZ 1 1
6 1088 1 1 8 LYS O O -0.027 0.226 -4.994 1.00 . A A . 8 LYS O 1 1
6 1089 1 1 9 LEU C C 1.599 1.585 -1.262 1.00 . A A . 9 LEU C 1 1
6 1090 1 1 9 LEU CA C 0.838 1.536 -2.614 1.00 . A A . 9 LEU CA 1 1
6 1091 1 1 9 LEU CB C -0.396 2.475 -2.646 1.00 . A A . 9 LEU CB 1 1
6 1092 1 1 9 LEU CD1 C 0.719 4.589 -3.625 1.00 . A A . 9 LEU CD1 1 1
6 1093 1 1 9 LEU CD2 C -1.512 4.740 -2.459 1.00 . A A . 9 LEU CD2 1 1
6 1094 1 1 9 LEU CG C -0.160 4.002 -2.503 1.00 . A A . 9 LEU CG 1 1
6 1095 1 1 9 LEU H H 0.164 -0.418 -1.925 1.00 . A A . 9 LEU H 1 1
6 1096 1 1 9 LEU HA H 1.504 1.786 -3.465 1.00 . A A . 9 LEU HA 1 1
6 1097 1 1 9 LEU HB2 H -0.934 2.275 -3.592 1.00 . A A . 9 LEU HB2 1 1
6 1098 1 1 9 LEU HB3 H -1.083 2.126 -1.848 1.00 . A A . 9 LEU HB3 1 1
6 1099 1 1 9 LEU HD11 H 1.731 4.146 -3.625 1.00 . A A . 9 LEU HD11 1 1
6 1100 1 1 9 LEU HD12 H 0.284 4.419 -4.627 1.00 . A A . 9 LEU HD12 1 1
6 1101 1 1 9 LEU HD13 H 0.857 5.681 -3.507 1.00 . A A . 9 LEU HD13 1 1
6 1102 1 1 9 LEU HD21 H -2.090 4.613 -3.394 1.00 . A A . 9 LEU HD21 1 1
6 1103 1 1 9 LEU HD22 H -2.149 4.375 -1.630 1.00 . A A . 9 LEU HD22 1 1
6 1104 1 1 9 LEU HD23 H -1.380 5.827 -2.301 1.00 . A A . 9 LEU HD23 1 1
6 1105 1 1 9 LEU HG H 0.349 4.187 -1.538 1.00 . A A . 9 LEU HG 1 1
6 1106 1 1 9 LEU N N 0.354 0.146 -2.758 1.00 . A A . 9 LEU N 1 1
6 1107 1 1 9 LEU O O 0.967 1.522 -0.202 1.00 . A A . 9 LEU O 1 1
6 1108 1 1 10 ILE C C 3.314 2.802 1.016 1.00 . A A . 10 ILE C 1 1
6 1109 1 1 10 ILE CA C 3.791 1.766 -0.057 1.00 . A A . 10 ILE CA 1 1
6 1110 1 1 10 ILE CB C 5.318 1.927 -0.372 1.00 . A A . 10 ILE CB 1 1
6 1111 1 1 10 ILE CD1 C 7.101 3.750 -0.851 1.00 . A A . 10 ILE CD1 1 1
6 1112 1 1 10 ILE CG1 C 5.693 3.223 -1.155 1.00 . A A . 10 ILE CG1 1 1
6 1113 1 1 10 ILE CG2 C 5.913 0.669 -1.053 1.00 . A A . 10 ILE CG2 1 1
6 1114 1 1 10 ILE H H 3.362 1.692 -2.224 1.00 . A A . 10 ILE H 1 1
6 1115 1 1 10 ILE HA H 3.682 0.758 0.395 1.00 . A A . 10 ILE HA 1 1
6 1116 1 1 10 ILE HB H 5.820 1.982 0.615 1.00 . A A . 10 ILE HB 1 1
6 1117 1 1 10 ILE HD11 H 7.307 4.676 -1.416 1.00 . A A . 10 ILE HD11 1 1
6 1118 1 1 10 ILE HD12 H 7.209 3.995 0.222 1.00 . A A . 10 ILE HD12 1 1
6 1119 1 1 10 ILE HD13 H 7.883 3.013 -1.108 1.00 . A A . 10 ILE HD13 1 1
6 1120 1 1 10 ILE HG12 H 5.574 3.069 -2.244 1.00 . A A . 10 ILE HG12 1 1
6 1121 1 1 10 ILE HG13 H 4.987 4.038 -0.912 1.00 . A A . 10 ILE HG13 1 1
6 1122 1 1 10 ILE HG21 H 7.011 0.739 -1.162 1.00 . A A . 10 ILE HG21 1 1
6 1123 1 1 10 ILE HG22 H 5.712 -0.247 -0.466 1.00 . A A . 10 ILE HG22 1 1
6 1124 1 1 10 ILE HG23 H 5.494 0.506 -2.063 1.00 . A A . 10 ILE HG23 1 1
6 1125 1 1 10 ILE N N 2.941 1.724 -1.291 1.00 . A A . 10 ILE N 1 1
6 1126 1 1 10 ILE O O 2.998 3.953 0.692 1.00 . A A . 10 ILE O 1 1
6 1127 1 1 11 CYS C C 3.964 3.734 4.270 1.00 . A A . 11 CYS C 1 1
6 1128 1 1 11 CYS CA C 2.789 3.201 3.407 1.00 . A A . 11 CYS CA 1 1
6 1129 1 1 11 CYS CB C 1.745 2.402 4.210 1.00 . A A . 11 CYS CB 1 1
6 1130 1 1 11 CYS H H 3.673 1.434 2.432 1.00 . A A . 11 CYS H 1 1
6 1131 1 1 11 CYS HA H 2.225 4.057 3.000 1.00 . A A . 11 CYS HA 1 1
6 1132 1 1 11 CYS HB2 H 2.180 1.481 4.645 1.00 . A A . 11 CYS HB2 1 1
6 1133 1 1 11 CYS HB3 H 1.357 2.994 5.059 1.00 . A A . 11 CYS HB3 1 1
6 1134 1 1 11 CYS N N 3.258 2.357 2.284 1.00 . A A . 11 CYS N 1 1
6 1135 1 1 11 CYS O O 4.320 3.160 5.305 1.00 . A A . 11 CYS O 1 1
6 1136 1 1 11 CYS SG S 0.361 1.960 3.145 1.00 . A A . 11 CYS SG 1 1
6 1137 1 1 12 THR C C 5.814 6.970 3.964 1.00 . A A . 12 THR C 1 1
6 1138 1 1 12 THR CA C 5.695 5.518 4.499 1.00 . A A . 12 THR CA 1 1
6 1139 1 1 12 THR CB C 7.049 4.743 4.485 1.00 . A A . 12 THR CB 1 1
6 1140 1 1 12 THR CG2 C 7.548 4.224 3.125 1.00 . A A . 12 THR CG2 1 1
6 1141 1 1 12 THR H H 4.182 5.206 2.934 1.00 . A A . 12 THR H 1 1
6 1142 1 1 12 THR HA H 5.395 5.566 5.562 1.00 . A A . 12 THR HA 1 1
6 1143 1 1 12 THR HB H 6.904 3.886 5.161 1.00 . A A . 12 THR HB 1 1
6 1144 1 1 12 THR HG1 H 8.494 5.996 4.309 1.00 . A A . 12 THR HG1 1 1
6 1145 1 1 12 THR HG21 H 6.822 3.531 2.662 1.00 . A A . 12 THR HG21 1 1
6 1146 1 1 12 THR HG22 H 7.721 5.049 2.411 1.00 . A A . 12 THR HG22 1 1
6 1147 1 1 12 THR HG23 H 8.500 3.671 3.229 1.00 . A A . 12 THR HG23 1 1
6 1148 1 1 12 THR N N 4.562 4.848 3.812 1.00 . A A . 12 THR N 1 1
6 1149 1 1 12 THR O O 6.010 7.207 2.768 1.00 . A A . 12 THR O 1 1
6 1150 1 1 12 THR OG1 O 8.094 5.531 5.049 1.00 . A A . 12 THR OG1 1 1
6 1151 1 1 13 THR C C 7.294 9.899 4.525 1.00 . A A . 13 THR C 1 1
6 1152 1 1 13 THR CA C 5.817 9.386 4.592 1.00 . A A . 13 THR CA 1 1
6 1153 1 1 13 THR CB C 4.878 10.212 5.529 1.00 . A A . 13 THR CB 1 1
6 1154 1 1 13 THR CG2 C 4.722 11.690 5.131 1.00 . A A . 13 THR CG2 1 1
6 1155 1 1 13 THR H H 5.515 7.542 5.833 1.00 . A A . 13 THR H 1 1
6 1156 1 1 13 THR HA H 5.400 9.536 3.574 1.00 . A A . 13 THR HA 1 1
6 1157 1 1 13 THR HB H 5.244 10.184 6.573 1.00 . A A . 13 THR HB 1 1
6 1158 1 1 13 THR HG1 H 3.725 8.692 5.431 1.00 . A A . 13 THR HG1 1 1
6 1159 1 1 13 THR HG21 H 4.023 12.216 5.807 1.00 . A A . 13 THR HG21 1 1
6 1160 1 1 13 THR HG22 H 5.685 12.232 5.176 1.00 . A A . 13 THR HG22 1 1
6 1161 1 1 13 THR HG23 H 4.328 11.799 4.104 1.00 . A A . 13 THR HG23 1 1
6 1162 1 1 13 THR N N 5.724 7.926 4.902 1.00 . A A . 13 THR N 1 1
6 1163 1 1 13 THR O O 7.657 10.507 3.514 1.00 . A A . 13 THR O 1 1
6 1164 1 1 13 THR OG1 O 3.575 9.639 5.508 1.00 . A A . 13 THR OG1 1 1
6 1165 1 1 14 ALA C C 10.408 8.996 6.167 1.00 . A A . 14 ALA C 1 1
6 1166 1 1 14 ALA CA C 9.542 10.131 5.584 1.00 . A A . 14 ALA CA 1 1
6 1167 1 1 14 ALA CB C 9.670 11.438 6.390 1.00 . A A . 14 ALA CB 1 1
6 1168 1 1 14 ALA H H 7.749 9.114 6.331 1.00 . A A . 14 ALA H 1 1
6 1169 1 1 14 ALA HXT H 11.673 7.652 5.581 1.00 . A A . 14 ALA HXT 1 1
6 1170 1 1 14 ALA HA H 9.900 10.340 4.556 1.00 . A A . 14 ALA HA 1 1
6 1171 1 1 14 ALA HB1 H 9.065 12.250 5.946 1.00 . A A . 14 ALA HB1 1 1
6 1172 1 1 14 ALA HB2 H 9.339 11.320 7.440 1.00 . A A . 14 ALA HB2 1 1
6 1173 1 1 14 ALA HB3 H 10.715 11.797 6.416 1.00 . A A . 14 ALA HB3 1 1
6 1174 1 1 14 ALA N N 8.128 9.683 5.568 1.00 . A A . 14 ALA N 1 1
6 1175 1 1 14 ALA O O 10.433 8.687 7.360 1.00 . A A . 14 ALA O 1 1
6 1176 1 1 14 ALA OXT O 11.143 8.356 5.203 1.00 . A A . 14 ALA OXT 1 1
7 1177 1 1 1 ACE C C -8.859 -3.062 -3.367 1.00 . A A . 1 ACE C 1 1
7 1178 1 1 1 ACE CH3 C -8.733 -2.970 -4.883 1.00 . A A . 1 ACE CH3 1 1
7 1179 1 1 1 ACE H1 H -9.369 -3.720 -5.390 1.00 . A A . 1 ACE H1 1 1
7 1180 1 1 1 ACE H2 H -9.043 -1.974 -5.249 1.00 . A A . 1 ACE H2 1 1
7 1181 1 1 1 ACE H3 H -7.689 -3.129 -5.211 1.00 . A A . 1 ACE H3 1 1
7 1182 1 1 1 ACE O O -9.263 -2.098 -2.713 1.00 . A A . 1 ACE O 1 1
7 1183 1 1 2 ILE C C -7.209 -5.201 -1.021 1.00 . A A . 2 ILE C 1 1
7 1184 1 1 2 ILE CA C -8.565 -4.535 -1.378 1.00 . A A . 2 ILE CA 1 1
7 1185 1 1 2 ILE CB C -9.829 -5.348 -0.933 1.00 . A A . 2 ILE CB 1 1
7 1186 1 1 2 ILE CD1 C -9.688 -7.932 -0.688 1.00 . A A . 2 ILE CD1 1 1
7 1187 1 1 2 ILE CG1 C -10.052 -6.746 -1.596 1.00 . A A . 2 ILE CG1 1 1
7 1188 1 1 2 ILE CG2 C -11.121 -4.498 -0.999 1.00 . A A . 2 ILE CG2 1 1
7 1189 1 1 2 ILE H H -8.159 -4.952 -3.467 1.00 . A A . 2 ILE H 1 1
7 1190 1 1 2 ILE HA H -8.602 -3.585 -0.815 1.00 . A A . 2 ILE HA 1 1
7 1191 1 1 2 ILE HB H -9.666 -5.516 0.143 1.00 . A A . 2 ILE HB 1 1
7 1192 1 1 2 ILE HD11 H -8.633 -7.896 -0.358 1.00 . A A . 2 ILE HD11 1 1
7 1193 1 1 2 ILE HD12 H -10.313 -7.947 0.224 1.00 . A A . 2 ILE HD12 1 1
7 1194 1 1 2 ILE HD13 H -9.833 -8.894 -1.210 1.00 . A A . 2 ILE HD13 1 1
7 1195 1 1 2 ILE HG12 H -11.104 -6.880 -1.910 1.00 . A A . 2 ILE HG12 1 1
7 1196 1 1 2 ILE HG13 H -9.479 -6.827 -2.539 1.00 . A A . 2 ILE HG13 1 1
7 1197 1 1 2 ILE HG21 H -11.405 -4.260 -2.041 1.00 . A A . 2 ILE HG21 1 1
7 1198 1 1 2 ILE HG22 H -11.979 -5.021 -0.537 1.00 . A A . 2 ILE HG22 1 1
7 1199 1 1 2 ILE HG23 H -11.008 -3.537 -0.464 1.00 . A A . 2 ILE HG23 1 1
7 1200 1 1 2 ILE N N -8.519 -4.242 -2.830 1.00 . A A . 2 ILE N 1 1
7 1201 1 1 2 ILE O O -6.946 -6.354 -1.373 1.00 . A A . 2 ILE O 1 1
7 1202 1 1 3 TRP C C -4.408 -4.040 1.227 1.00 . A A . 3 TRP C 1 1
7 1203 1 1 3 TRP CA C -4.989 -4.895 0.068 1.00 . A A . 3 TRP CA 1 1
7 1204 1 1 3 TRP CB C -4.020 -5.059 -1.150 1.00 . A A . 3 TRP CB 1 1
7 1205 1 1 3 TRP CD1 C -3.816 -7.648 -1.295 1.00 . A A . 3 TRP CD1 1 1
7 1206 1 1 3 TRP CD2 C -1.880 -6.575 -1.071 1.00 . A A . 3 TRP CD2 1 1
7 1207 1 1 3 TRP CE2 C -1.642 -7.971 -1.150 1.00 . A A . 3 TRP CE2 1 1
7 1208 1 1 3 TRP CE3 C -0.802 -5.668 -0.936 1.00 . A A . 3 TRP CE3 1 1
7 1209 1 1 3 TRP CG C -3.241 -6.371 -1.157 1.00 . A A . 3 TRP CG 1 1
7 1210 1 1 3 TRP CH2 C 0.736 -7.556 -0.953 1.00 . A A . 3 TRP CH2 1 1
7 1211 1 1 3 TRP CZ2 C -0.316 -8.466 -1.092 1.00 . A A . 3 TRP CZ2 1 1
7 1212 1 1 3 TRP CZ3 C 0.494 -6.178 -0.874 1.00 . A A . 3 TRP CZ3 1 1
7 1213 1 1 3 TRP H H -6.696 -3.501 -0.145 1.00 . A A . 3 TRP H 1 1
7 1214 1 1 3 TRP HA H -5.167 -5.877 0.532 1.00 . A A . 3 TRP HA 1 1
7 1215 1 1 3 TRP HB2 H -4.566 -5.006 -2.111 1.00 . A A . 3 TRP HB2 1 1
7 1216 1 1 3 TRP HB3 H -3.320 -4.208 -1.210 1.00 . A A . 3 TRP HB3 1 1
7 1217 1 1 3 TRP HD1 H -4.886 -7.806 -1.377 1.00 . A A . 3 TRP HD1 1 1
7 1218 1 1 3 TRP HE1 H -2.976 -9.676 -1.369 1.00 . A A . 3 TRP HE1 1 1
7 1219 1 1 3 TRP HE3 H -0.979 -4.604 -0.884 1.00 . A A . 3 TRP HE3 1 1
7 1220 1 1 3 TRP HH2 H 1.752 -7.919 -0.906 1.00 . A A . 3 TRP HH2 1 1
7 1221 1 1 3 TRP HZ2 H -0.117 -9.528 -1.153 1.00 . A A . 3 TRP HZ2 1 1
7 1222 1 1 3 TRP HZ3 H 1.323 -5.498 -0.760 1.00 . A A . 3 TRP HZ3 1 1
7 1223 1 1 3 TRP N N -6.334 -4.430 -0.354 1.00 . A A . 3 TRP N 1 1
7 1224 1 1 3 TRP NE1 N -2.838 -8.663 -1.289 1.00 . A A . 3 TRP NE1 1 1
7 1225 1 1 3 TRP O O -4.203 -4.572 2.322 1.00 . A A . 3 TRP O 1 1
7 1226 1 1 4 GLY C C -2.223 -1.255 1.580 1.00 . A A . 4 GLY C 1 1
7 1227 1 1 4 GLY CA C -3.582 -1.833 2.012 1.00 . A A . 4 GLY CA 1 1
7 1228 1 1 4 GLY H H -4.315 -2.434 0.029 1.00 . A A . 4 GLY H 1 1
7 1229 1 1 4 GLY HA2 H -4.299 -1.005 2.151 1.00 . A A . 4 GLY HA2 1 1
7 1230 1 1 4 GLY HA3 H -3.511 -2.314 3.009 1.00 . A A . 4 GLY HA3 1 1
7 1231 1 1 4 GLY N N -4.136 -2.743 0.990 1.00 . A A . 4 GLY N 1 1
7 1232 1 1 4 GLY O O -2.169 -0.200 0.941 1.00 . A A . 4 GLY O 1 1
7 1233 1 1 5 BCX C C 2.277 -2.341 0.196 1.00 . A A . 5 BCX C 1 1
7 1234 1 1 5 BCX CA C 0.246 -1.553 1.624 1.00 . A A . 5 BCX CA 1 1
7 1235 1 1 5 BCX CB C 0.979 -1.176 2.932 1.00 . A A . 5 BCX CB 1 1
7 1236 1 1 5 BCX CC C 0.923 -2.693 0.846 1.00 . A A . 5 BCX CC 1 1
7 1237 1 1 5 BCX H H -1.358 -2.840 2.431 1.00 . A A . 5 BCX H 1 1
7 1238 1 1 5 BCX HA H 0.283 -0.703 0.925 1.00 . A A . 5 BCX HA 1 1
7 1239 1 1 5 BCX HB2 H 1.196 -2.064 3.552 1.00 . A A . 5 BCX HB2 1 1
7 1240 1 1 5 BCX HB3 H 1.947 -0.693 2.712 1.00 . A A . 5 BCX HB3 1 1
7 1241 1 1 5 BCX HC1 H 0.259 -2.974 0.007 1.00 . A A . 5 BCX HC1 1 1
7 1242 1 1 5 BCX HC2 H 0.974 -3.602 1.478 1.00 . A A . 5 BCX HC2 1 1
7 1243 1 1 5 BCX N N -1.143 -1.962 1.946 1.00 . A A . 5 BCX N 1 1
7 1244 1 1 5 BCX O O 2.391 -1.370 -0.553 1.00 . A A . 5 BCX O 1 1
7 1245 1 1 5 BCX SG S 0.034 -0.043 3.963 1.00 . A A . 5 BCX SG 1 1
7 1246 1 1 6 SER C C 3.723 -4.324 -1.817 1.00 . A A . 6 SER C 1 1
7 1247 1 1 6 SER CA C 4.315 -3.472 -0.652 1.00 . A A . 6 SER CA 1 1
7 1248 1 1 6 SER CB C 5.547 -4.097 0.038 1.00 . A A . 6 SER CB 1 1
7 1249 1 1 6 SER H H 2.853 -4.015 0.925 1.00 . A A . 6 SER H 1 1
7 1250 1 1 6 SER HA H 4.655 -2.492 -1.045 1.00 . A A . 6 SER HA 1 1
7 1251 1 1 6 SER HB2 H 5.907 -3.446 0.859 1.00 . A A . 6 SER HB2 1 1
7 1252 1 1 6 SER HB3 H 5.306 -5.072 0.503 1.00 . A A . 6 SER HB3 1 1
7 1253 1 1 6 SER HG H 6.300 -4.914 -1.538 1.00 . A A . 6 SER HG 1 1
7 1254 1 1 6 SER N N 3.233 -3.257 0.358 1.00 . A A . 6 SER N 1 1
7 1255 1 1 6 SER O O 3.809 -5.556 -1.842 1.00 . A A . 6 SER O 1 1
7 1256 1 1 6 SER OG O 6.610 -4.272 -0.894 1.00 . A A . 6 SER OG 1 1
7 1257 1 1 7 GLY C C 1.310 -3.234 -4.425 1.00 . A A . 7 GLY C 1 1
7 1258 1 1 7 GLY CA C 2.397 -4.211 -3.921 1.00 . A A . 7 GLY CA 1 1
7 1259 1 1 7 GLY H H 3.078 -2.594 -2.600 1.00 . A A . 7 GLY H 1 1
7 1260 1 1 7 GLY HA2 H 3.118 -4.433 -4.729 1.00 . A A . 7 GLY HA2 1 1
7 1261 1 1 7 GLY HA3 H 1.924 -5.176 -3.650 1.00 . A A . 7 GLY HA3 1 1
7 1262 1 1 7 GLY N N 3.106 -3.610 -2.768 1.00 . A A . 7 GLY N 1 1
7 1263 1 1 7 GLY O O 1.279 -2.924 -5.619 1.00 . A A . 7 GLY O 1 1
7 1264 1 1 8 LYS C C 0.000 -0.364 -3.962 1.00 . A A . 8 LYS C 1 1
7 1265 1 1 8 LYS CA C -0.647 -1.784 -3.850 1.00 . A A . 8 LYS CA 1 1
7 1266 1 1 8 LYS CB C -1.782 -1.885 -2.784 1.00 . A A . 8 LYS CB 1 1
7 1267 1 1 8 LYS CD C -4.187 -1.240 -2.138 1.00 . A A . 8 LYS CD 1 1
7 1268 1 1 8 LYS CE C -5.505 -0.576 -2.569 1.00 . A A . 8 LYS CE 1 1
7 1269 1 1 8 LYS CG C -3.082 -1.160 -3.203 1.00 . A A . 8 LYS CG 1 1
7 1270 1 1 8 LYS H H 0.640 -2.979 -2.547 1.00 . A A . 8 LYS H 1 1
7 1271 1 1 8 LYS HA H -1.082 -2.048 -4.835 1.00 . A A . 8 LYS HA 1 1
7 1272 1 1 8 LYS HB2 H -2.016 -2.947 -2.578 1.00 . A A . 8 LYS HB2 1 1
7 1273 1 1 8 LYS HB3 H -1.432 -1.497 -1.802 1.00 . A A . 8 LYS HB3 1 1
7 1274 1 1 8 LYS HD2 H -4.385 -2.301 -1.900 1.00 . A A . 8 LYS HD2 1 1
7 1275 1 1 8 LYS HD3 H -3.822 -0.775 -1.201 1.00 . A A . 8 LYS HD3 1 1
7 1276 1 1 8 LYS HE2 H -5.342 0.489 -2.821 1.00 . A A . 8 LYS HE2 1 1
7 1277 1 1 8 LYS HE3 H -5.898 -1.059 -3.484 1.00 . A A . 8 LYS HE3 1 1
7 1278 1 1 8 LYS HG2 H -2.863 -0.097 -3.421 1.00 . A A . 8 LYS HG2 1 1
7 1279 1 1 8 LYS HG3 H -3.453 -1.591 -4.154 1.00 . A A . 8 LYS HG3 1 1
7 1280 1 1 8 LYS HZ1 H -7.408 -0.283 -1.809 1.00 . A A . 8 LYS HZ1 1 1
7 1281 1 1 8 LYS HZ2 H -6.229 -0.116 -0.688 1.00 . A A . 8 LYS HZ2 1 1
7 1282 1 1 8 LYS N N 0.413 -2.769 -3.523 1.00 . A A . 8 LYS N 1 1
7 1283 1 1 8 LYS NZ N -6.513 -0.678 -1.497 1.00 . A A . 8 LYS NZ 1 1
7 1284 1 1 8 LYS O O 0.100 0.179 -5.065 1.00 . A A . 8 LYS O 1 1
7 1285 1 1 9 LEU C C 1.762 1.554 -1.341 1.00 . A A . 9 LEU C 1 1
7 1286 1 1 9 LEU CA C 1.091 1.533 -2.741 1.00 . A A . 9 LEU CA 1 1
7 1287 1 1 9 LEU CB C 0.006 2.631 -2.902 1.00 . A A . 9 LEU CB 1 1
7 1288 1 1 9 LEU CD1 C 1.454 4.514 -3.914 1.00 . A A . 9 LEU CD1 1 1
7 1289 1 1 9 LEU CD2 C -0.771 5.048 -2.851 1.00 . A A . 9 LEU CD2 1 1
7 1290 1 1 9 LEU CG C 0.455 4.116 -2.809 1.00 . A A . 9 LEU CG 1 1
7 1291 1 1 9 LEU H H 0.232 -0.298 -1.959 1.00 . A A . 9 LEU H 1 1
7 1292 1 1 9 LEU HA H 1.834 1.630 -3.557 1.00 . A A . 9 LEU HA 1 1
7 1293 1 1 9 LEU HB2 H -0.495 2.462 -3.874 1.00 . A A . 9 LEU HB2 1 1
7 1294 1 1 9 LEU HB3 H -0.773 2.430 -2.141 1.00 . A A . 9 LEU HB3 1 1
7 1295 1 1 9 LEU HD11 H 2.388 3.927 -3.852 1.00 . A A . 9 LEU HD11 1 1
7 1296 1 1 9 LEU HD12 H 1.036 4.364 -4.927 1.00 . A A . 9 LEU HD12 1 1
7 1297 1 1 9 LEU HD13 H 1.749 5.577 -3.834 1.00 . A A . 9 LEU HD13 1 1
7 1298 1 1 9 LEU HD21 H -1.330 4.961 -3.802 1.00 . A A . 9 LEU HD21 1 1
7 1299 1 1 9 LEU HD22 H -1.482 4.822 -2.033 1.00 . A A . 9 LEU HD22 1 1
7 1300 1 1 9 LEU HD23 H -0.483 6.108 -2.735 1.00 . A A . 9 LEU HD23 1 1
7 1301 1 1 9 LEU HG H 0.946 4.275 -1.830 1.00 . A A . 9 LEU HG 1 1
7 1302 1 1 9 LEU N N 0.453 0.203 -2.824 1.00 . A A . 9 LEU N 1 1
7 1303 1 1 9 LEU O O 1.061 1.477 -0.323 1.00 . A A . 9 LEU O 1 1
7 1304 1 1 10 ILE C C 3.342 2.763 1.022 1.00 . A A . 10 ILE C 1 1
7 1305 1 1 10 ILE CA C 3.872 1.691 0.013 1.00 . A A . 10 ILE CA 1 1
7 1306 1 1 10 ILE CB C 5.424 1.797 -0.196 1.00 . A A . 10 ILE CB 1 1
7 1307 1 1 10 ILE CD1 C 7.351 3.483 -0.677 1.00 . A A . 10 ILE CD1 1 1
7 1308 1 1 10 ILE CG1 C 5.902 3.066 -0.967 1.00 . A A . 10 ILE CG1 1 1
7 1309 1 1 10 ILE CG2 C 6.012 0.503 -0.816 1.00 . A A . 10 ILE CG2 1 1
7 1310 1 1 10 ILE H H 3.591 1.594 -2.178 1.00 . A A . 10 ILE H 1 1
7 1311 1 1 10 ILE HA H 3.694 0.697 0.473 1.00 . A A . 10 ILE HA 1 1
7 1312 1 1 10 ILE HB H 5.864 1.854 0.819 1.00 . A A . 10 ILE HB 1 1
7 1313 1 1 10 ILE HD11 H 8.076 2.710 -0.987 1.00 . A A . 10 ILE HD11 1 1
7 1314 1 1 10 ILE HD12 H 7.610 4.415 -1.212 1.00 . A A . 10 ILE HD12 1 1
7 1315 1 1 10 ILE HD13 H 7.508 3.674 0.401 1.00 . A A . 10 ILE HD13 1 1
7 1316 1 1 10 ILE HG12 H 5.761 2.932 -2.057 1.00 . A A . 10 ILE HG12 1 1
7 1317 1 1 10 ILE HG13 H 5.264 3.930 -0.708 1.00 . A A . 10 ILE HG13 1 1
7 1318 1 1 10 ILE HG21 H 5.737 -0.392 -0.227 1.00 . A A . 10 ILE HG21 1 1
7 1319 1 1 10 ILE HG22 H 5.654 0.337 -1.849 1.00 . A A . 10 ILE HG22 1 1
7 1320 1 1 10 ILE HG23 H 7.116 0.527 -0.853 1.00 . A A . 10 ILE HG23 1 1
7 1321 1 1 10 ILE N N 3.106 1.669 -1.278 1.00 . A A . 10 ILE N 1 1
7 1322 1 1 10 ILE O O 3.099 3.914 0.639 1.00 . A A . 10 ILE O 1 1
7 1323 1 1 11 CYS C C 3.683 3.508 4.432 1.00 . A A . 11 CYS C 1 1
7 1324 1 1 11 CYS CA C 2.610 3.253 3.342 1.00 . A A . 11 CYS CA 1 1
7 1325 1 1 11 CYS CB C 1.238 2.783 3.868 1.00 . A A . 11 CYS CB 1 1
7 1326 1 1 11 CYS H H 3.696 1.529 2.531 1.00 . A A . 11 CYS H 1 1
7 1327 1 1 11 CYS HA H 2.341 4.207 2.870 1.00 . A A . 11 CYS HA 1 1
7 1328 1 1 11 CYS HB2 H 0.797 3.561 4.520 1.00 . A A . 11 CYS HB2 1 1
7 1329 1 1 11 CYS HB3 H 0.524 2.659 3.032 1.00 . A A . 11 CYS HB3 1 1
7 1330 1 1 11 CYS N N 3.138 2.351 2.289 1.00 . A A . 11 CYS N 1 1
7 1331 1 1 11 CYS O O 3.765 2.788 5.432 1.00 . A A . 11 CYS O 1 1
7 1332 1 1 11 CYS SG S 1.300 1.249 4.805 1.00 . A A . 11 CYS SG 1 1
7 1333 1 1 12 THR C C 5.022 5.788 6.330 1.00 . A A . 12 THR C 1 1
7 1334 1 1 12 THR CA C 5.596 4.942 5.156 1.00 . A A . 12 THR CA 1 1
7 1335 1 1 12 THR CB C 6.755 5.682 4.423 1.00 . A A . 12 THR CB 1 1
7 1336 1 1 12 THR CG2 C 7.512 4.838 3.383 1.00 . A A . 12 THR CG2 1 1
7 1337 1 1 12 THR H H 4.424 5.000 3.307 1.00 . A A . 12 THR H 1 1
7 1338 1 1 12 THR HA H 6.040 4.010 5.548 1.00 . A A . 12 THR HA 1 1
7 1339 1 1 12 THR HB H 7.498 5.990 5.184 1.00 . A A . 12 THR HB 1 1
7 1340 1 1 12 THR HG1 H 5.669 7.262 4.415 1.00 . A A . 12 THR HG1 1 1
7 1341 1 1 12 THR HG21 H 7.947 3.927 3.835 1.00 . A A . 12 THR HG21 1 1
7 1342 1 1 12 THR HG22 H 6.850 4.514 2.558 1.00 . A A . 12 THR HG22 1 1
7 1343 1 1 12 THR HG23 H 8.344 5.407 2.931 1.00 . A A . 12 THR HG23 1 1
7 1344 1 1 12 THR N N 4.505 4.555 4.223 1.00 . A A . 12 THR N 1 1
7 1345 1 1 12 THR O O 4.725 6.977 6.170 1.00 . A A . 12 THR O 1 1
7 1346 1 1 12 THR OG1 O 6.275 6.862 3.784 1.00 . A A . 12 THR OG1 1 1
7 1347 1 1 13 THR C C 5.139 5.263 9.927 1.00 . A A . 13 THR C 1 1
7 1348 1 1 13 THR CA C 4.315 5.793 8.721 1.00 . A A . 13 THR CA 1 1
7 1349 1 1 13 THR CB C 2.787 5.528 8.886 1.00 . A A . 13 THR CB 1 1
7 1350 1 1 13 THR CG2 C 1.889 6.370 7.964 1.00 . A A . 13 THR CG2 1 1
7 1351 1 1 13 THR H H 5.108 4.157 7.510 1.00 . A A . 13 THR H 1 1
7 1352 1 1 13 THR HA H 4.448 6.894 8.664 1.00 . A A . 13 THR HA 1 1
7 1353 1 1 13 THR HB H 2.518 5.784 9.925 1.00 . A A . 13 THR HB 1 1
7 1354 1 1 13 THR HG1 H 2.739 3.966 7.776 1.00 . A A . 13 THR HG1 1 1
7 1355 1 1 13 THR HG21 H 2.064 7.454 8.101 1.00 . A A . 13 THR HG21 1 1
7 1356 1 1 13 THR HG22 H 2.062 6.140 6.897 1.00 . A A . 13 THR HG22 1 1
7 1357 1 1 13 THR HG23 H 0.819 6.185 8.168 1.00 . A A . 13 THR HG23 1 1
7 1358 1 1 13 THR N N 4.863 5.150 7.501 1.00 . A A . 13 THR N 1 1
7 1359 1 1 13 THR O O 4.937 4.139 10.401 1.00 . A A . 13 THR O 1 1
7 1360 1 1 13 THR OG1 O 2.463 4.156 8.677 1.00 . A A . 13 THR OG1 1 1
7 1361 1 1 14 ALA C C 6.275 6.126 12.905 1.00 . A A . 14 ALA C 1 1
7 1362 1 1 14 ALA CA C 6.949 5.748 11.564 1.00 . A A . 14 ALA CA 1 1
7 1363 1 1 14 ALA CB C 8.315 6.432 11.359 1.00 . A A . 14 ALA CB 1 1
7 1364 1 1 14 ALA H H 6.161 6.975 9.899 1.00 . A A . 14 ALA H 1 1
7 1365 1 1 14 ALA HXT H 5.400 4.396 12.743 1.00 . A A . 14 ALA HXT 1 1
7 1366 1 1 14 ALA HA H 7.147 4.658 11.575 1.00 . A A . 14 ALA HA 1 1
7 1367 1 1 14 ALA HB1 H 8.798 6.112 10.417 1.00 . A A . 14 ALA HB1 1 1
7 1368 1 1 14 ALA HB2 H 8.234 7.536 11.330 1.00 . A A . 14 ALA HB2 1 1
7 1369 1 1 14 ALA HB3 H 9.017 6.182 12.176 1.00 . A A . 14 ALA HB3 1 1
7 1370 1 1 14 ALA N N 6.073 6.096 10.419 1.00 . A A . 14 ALA N 1 1
7 1371 1 1 14 ALA O O 6.451 7.194 13.494 1.00 . A A . 14 ALA O 1 1
7 1372 1 1 14 ALA OXT O 5.442 5.133 13.356 1.00 . A A . 14 ALA OXT 1 1
8 1373 1 1 1 ACE C C -5.867 -9.607 1.303 1.00 . A A . 1 ACE C 1 1
8 1374 1 1 1 ACE CH3 C -6.821 -10.682 0.792 1.00 . A A . 1 ACE CH3 1 1
8 1375 1 1 1 ACE H1 H -7.468 -10.297 -0.018 1.00 . A A . 1 ACE H1 1 1
8 1376 1 1 1 ACE H2 H -6.272 -11.560 0.403 1.00 . A A . 1 ACE H2 1 1
8 1377 1 1 1 ACE H3 H -7.485 -11.041 1.599 1.00 . A A . 1 ACE H3 1 1
8 1378 1 1 1 ACE O O -5.891 -9.261 2.486 1.00 . A A . 1 ACE O 1 1
8 1379 1 1 2 ILE C C -4.454 -6.834 -0.197 1.00 . A A . 2 ILE C 1 1
8 1380 1 1 2 ILE CA C -4.027 -8.041 0.689 1.00 . A A . 2 ILE CA 1 1
8 1381 1 1 2 ILE CB C -2.553 -8.503 0.429 1.00 . A A . 2 ILE CB 1 1
8 1382 1 1 2 ILE CD1 C -2.159 -9.853 2.668 1.00 . A A . 2 ILE CD1 1 1
8 1383 1 1 2 ILE CG1 C -2.119 -9.829 1.129 1.00 . A A . 2 ILE CG1 1 1
8 1384 1 1 2 ILE CG2 C -1.507 -7.393 0.713 1.00 . A A . 2 ILE CG2 1 1
8 1385 1 1 2 ILE H H -5.209 -9.410 -0.572 1.00 . A A . 2 ILE H 1 1
8 1386 1 1 2 ILE HA H -4.077 -7.752 1.760 1.00 . A A . 2 ILE HA 1 1
8 1387 1 1 2 ILE HB H -2.505 -8.694 -0.656 1.00 . A A . 2 ILE HB 1 1
8 1388 1 1 2 ILE HD11 H -1.484 -9.097 3.112 1.00 . A A . 2 ILE HD11 1 1
8 1389 1 1 2 ILE HD12 H -3.175 -9.662 3.057 1.00 . A A . 2 ILE HD12 1 1
8 1390 1 1 2 ILE HD13 H -1.843 -10.838 3.057 1.00 . A A . 2 ILE HD13 1 1
8 1391 1 1 2 ILE HG12 H -2.749 -10.658 0.755 1.00 . A A . 2 ILE HG12 1 1
8 1392 1 1 2 ILE HG13 H -1.097 -10.100 0.799 1.00 . A A . 2 ILE HG13 1 1
8 1393 1 1 2 ILE HG21 H -1.518 -7.071 1.771 1.00 . A A . 2 ILE HG21 1 1
8 1394 1 1 2 ILE HG22 H -0.477 -7.727 0.483 1.00 . A A . 2 ILE HG22 1 1
8 1395 1 1 2 ILE HG23 H -1.683 -6.490 0.098 1.00 . A A . 2 ILE HG23 1 1
8 1396 1 1 2 ILE N N -5.029 -9.104 0.388 1.00 . A A . 2 ILE N 1 1
8 1397 1 1 2 ILE O O -4.168 -6.776 -1.398 1.00 . A A . 2 ILE O 1 1
8 1398 1 1 3 TRP C C -5.432 -3.465 0.741 1.00 . A A . 3 TRP C 1 1
8 1399 1 1 3 TRP CA C -5.672 -4.663 -0.217 1.00 . A A . 3 TRP CA 1 1
8 1400 1 1 3 TRP CB C -7.162 -4.815 -0.644 1.00 . A A . 3 TRP CB 1 1
8 1401 1 1 3 TRP CD1 C -7.790 -7.196 -1.556 1.00 . A A . 3 TRP CD1 1 1
8 1402 1 1 3 TRP CD2 C -7.215 -5.718 -3.117 1.00 . A A . 3 TRP CD2 1 1
8 1403 1 1 3 TRP CE2 C -7.477 -6.974 -3.723 1.00 . A A . 3 TRP CE2 1 1
8 1404 1 1 3 TRP CE3 C -6.775 -4.620 -3.900 1.00 . A A . 3 TRP CE3 1 1
8 1405 1 1 3 TRP CG C -7.414 -5.850 -1.754 1.00 . A A . 3 TRP CG 1 1
8 1406 1 1 3 TRP CH2 C -6.877 -6.043 -5.875 1.00 . A A . 3 TRP CH2 1 1
8 1407 1 1 3 TRP CZ2 C -7.303 -7.137 -5.118 1.00 . A A . 3 TRP CZ2 1 1
8 1408 1 1 3 TRP CZ3 C -6.616 -4.805 -5.275 1.00 . A A . 3 TRP CZ3 1 1
8 1409 1 1 3 TRP H H -5.294 -6.094 1.420 1.00 . A A . 3 TRP H 1 1
8 1410 1 1 3 TRP HA H -5.086 -4.491 -1.133 1.00 . A A . 3 TRP HA 1 1
8 1411 1 1 3 TRP HB2 H -7.787 -5.053 0.237 1.00 . A A . 3 TRP HB2 1 1
8 1412 1 1 3 TRP HB3 H -7.540 -3.836 -0.997 1.00 . A A . 3 TRP HB3 1 1
8 1413 1 1 3 TRP HD1 H -7.939 -7.650 -0.586 1.00 . A A . 3 TRP HD1 1 1
8 1414 1 1 3 TRP HE1 H -8.051 -8.904 -2.911 1.00 . A A . 3 TRP HE1 1 1
8 1415 1 1 3 TRP HE3 H -6.560 -3.667 -3.447 1.00 . A A . 3 TRP HE3 1 1
8 1416 1 1 3 TRP HH2 H -6.739 -6.155 -6.940 1.00 . A A . 3 TRP HH2 1 1
8 1417 1 1 3 TRP HZ2 H -7.488 -8.091 -5.591 1.00 . A A . 3 TRP HZ2 1 1
8 1418 1 1 3 TRP HZ3 H -6.281 -3.978 -5.883 1.00 . A A . 3 TRP HZ3 1 1
8 1419 1 1 3 TRP N N -5.156 -5.888 0.437 1.00 . A A . 3 TRP N 1 1
8 1420 1 1 3 TRP NE1 N -7.843 -7.909 -2.768 1.00 . A A . 3 TRP NE1 1 1
8 1421 1 1 3 TRP O O -6.235 -3.189 1.640 1.00 . A A . 3 TRP O 1 1
8 1422 1 1 4 GLY C C -2.496 -1.145 0.981 1.00 . A A . 4 GLY C 1 1
8 1423 1 1 4 GLY CA C -3.913 -1.605 1.361 1.00 . A A . 4 GLY CA 1 1
8 1424 1 1 4 GLY H H -3.720 -3.111 -0.235 1.00 . A A . 4 GLY H 1 1
8 1425 1 1 4 GLY HA2 H -4.626 -0.775 1.194 1.00 . A A . 4 GLY HA2 1 1
8 1426 1 1 4 GLY HA3 H -3.976 -1.844 2.442 1.00 . A A . 4 GLY HA3 1 1
8 1427 1 1 4 GLY N N -4.302 -2.770 0.539 1.00 . A A . 4 GLY N 1 1
8 1428 1 1 4 GLY O O -2.342 -0.234 0.163 1.00 . A A . 4 GLY O 1 1
8 1429 1 1 5 BCX C C 2.052 -2.378 0.174 1.00 . A A . 5 BCX C 1 1
8 1430 1 1 5 BCX CA C -0.056 -1.473 1.314 1.00 . A A . 5 BCX CA 1 1
8 1431 1 1 5 BCX CB C 0.620 -0.887 2.577 1.00 . A A . 5 BCX CB 1 1
8 1432 1 1 5 BCX CC C 0.663 -2.711 0.770 1.00 . A A . 5 BCX CC 1 1
8 1433 1 1 5 BCX H H -1.760 -2.519 2.242 1.00 . A A . 5 BCX H 1 1
8 1434 1 1 5 BCX HA H 0.043 -0.760 0.484 1.00 . A A . 5 BCX HA 1 1
8 1435 1 1 5 BCX HB2 H 0.327 -1.426 3.498 1.00 . A A . 5 BCX HB2 1 1
8 1436 1 1 5 BCX HB3 H 1.722 -0.974 2.522 1.00 . A A . 5 BCX HB3 1 1
8 1437 1 1 5 BCX HC1 H 0.055 -3.144 -0.050 1.00 . A A . 5 BCX HC1 1 1
8 1438 1 1 5 BCX HC2 H 0.694 -3.497 1.549 1.00 . A A . 5 BCX HC2 1 1
8 1439 1 1 5 BCX N N -1.478 -1.784 1.584 1.00 . A A . 5 BCX N 1 1
8 1440 1 1 5 BCX O O 2.213 -1.449 -0.621 1.00 . A A . 5 BCX O 1 1
8 1441 1 1 5 BCX SG S 0.236 0.870 2.708 1.00 . A A . 5 BCX SG 1 1
8 1442 1 1 6 SER C C 3.679 -4.317 -1.705 1.00 . A A . 6 SER C 1 1
8 1443 1 1 6 SER CA C 4.154 -3.514 -0.454 1.00 . A A . 6 SER CA 1 1
8 1444 1 1 6 SER CB C 5.295 -4.158 0.365 1.00 . A A . 6 SER CB 1 1
8 1445 1 1 6 SER H H 2.582 -3.990 1.052 1.00 . A A . 6 SER H 1 1
8 1446 1 1 6 SER HA H 4.559 -2.536 -0.788 1.00 . A A . 6 SER HA 1 1
8 1447 1 1 6 SER HB2 H 5.570 -3.507 1.220 1.00 . A A . 6 SER HB2 1 1
8 1448 1 1 6 SER HB3 H 4.983 -5.124 0.805 1.00 . A A . 6 SER HB3 1 1
8 1449 1 1 6 SER HG H 7.105 -4.776 0.112 1.00 . A A . 6 SER HG 1 1
8 1450 1 1 6 SER N N 2.995 -3.272 0.454 1.00 . A A . 6 SER N 1 1
8 1451 1 1 6 SER O O 3.753 -5.549 -1.763 1.00 . A A . 6 SER O 1 1
8 1452 1 1 6 SER OG O 6.448 -4.353 -0.446 1.00 . A A . 6 SER OG 1 1
8 1453 1 1 7 GLY C C 1.545 -3.139 -4.511 1.00 . A A . 7 GLY C 1 1
8 1454 1 1 7 GLY CA C 2.604 -4.109 -3.939 1.00 . A A . 7 GLY CA 1 1
8 1455 1 1 7 GLY H H 3.050 -2.562 -2.452 1.00 . A A . 7 GLY H 1 1
8 1456 1 1 7 GLY HA2 H 3.410 -4.271 -4.679 1.00 . A A . 7 GLY HA2 1 1
8 1457 1 1 7 GLY HA3 H 2.136 -5.099 -3.772 1.00 . A A . 7 GLY HA3 1 1
8 1458 1 1 7 GLY N N 3.178 -3.557 -2.692 1.00 . A A . 7 GLY N 1 1
8 1459 1 1 7 GLY O O 1.640 -2.752 -5.678 1.00 . A A . 7 GLY O 1 1
8 1460 1 1 8 LYS C C 0.016 -0.346 -4.050 1.00 . A A . 8 LYS C 1 1
8 1461 1 1 8 LYS CA C -0.531 -1.811 -4.089 1.00 . A A . 8 LYS CA 1 1
8 1462 1 1 8 LYS CB C -1.775 -2.042 -3.176 1.00 . A A . 8 LYS CB 1 1
8 1463 1 1 8 LYS CD C -4.257 -1.522 -2.747 1.00 . A A . 8 LYS CD 1 1
8 1464 1 1 8 LYS CE C -5.535 -0.843 -3.265 1.00 . A A . 8 LYS CE 1 1
8 1465 1 1 8 LYS CG C -3.059 -1.355 -3.697 1.00 . A A . 8 LYS CG 1 1
8 1466 1 1 8 LYS H H 0.639 -3.054 -2.717 1.00 . A A . 8 LYS H 1 1
8 1467 1 1 8 LYS HA H -0.835 -2.038 -5.130 1.00 . A A . 8 LYS HA 1 1
8 1468 1 1 8 LYS HB2 H -1.975 -3.125 -3.065 1.00 . A A . 8 LYS HB2 1 1
8 1469 1 1 8 LYS HB3 H -1.557 -1.699 -2.143 1.00 . A A . 8 LYS HB3 1 1
8 1470 1 1 8 LYS HD2 H -4.446 -2.600 -2.580 1.00 . A A . 8 LYS HD2 1 1
8 1471 1 1 8 LYS HD3 H -3.993 -1.100 -1.760 1.00 . A A . 8 LYS HD3 1 1
8 1472 1 1 8 LYS HE2 H -5.357 0.234 -3.443 1.00 . A A . 8 LYS HE2 1 1
8 1473 1 1 8 LYS HE3 H -5.835 -1.275 -4.239 1.00 . A A . 8 LYS HE3 1 1
8 1474 1 1 8 LYS HG2 H -2.868 -0.275 -3.849 1.00 . A A . 8 LYS HG2 1 1
8 1475 1 1 8 LYS HG3 H -3.315 -1.758 -4.695 1.00 . A A . 8 LYS HG3 1 1
8 1476 1 1 8 LYS HZ1 H -6.399 -0.558 -1.409 1.00 . A A . 8 LYS HZ1 1 1
8 1477 1 1 8 LYS HZ2 H -7.478 -0.509 -2.636 1.00 . A A . 8 LYS HZ2 1 1
8 1478 1 1 8 LYS N N 0.534 -2.763 -3.694 1.00 . A A . 8 LYS N 1 1
8 1479 1 1 8 LYS NZ N -6.641 -1.001 -2.302 1.00 . A A . 8 LYS NZ 1 1
8 1480 1 1 8 LYS O O 0.170 0.272 -5.107 1.00 . A A . 8 LYS O 1 1
8 1481 1 1 9 LEU C C 1.540 1.544 -1.273 1.00 . A A . 9 LEU C 1 1
8 1482 1 1 9 LEU CA C 0.823 1.565 -2.653 1.00 . A A . 9 LEU CA 1 1
8 1483 1 1 9 LEU CB C -0.392 2.530 -2.700 1.00 . A A . 9 LEU CB 1 1
8 1484 1 1 9 LEU CD1 C -1.426 4.796 -3.189 1.00 . A A . 9 LEU CD1 1 1
8 1485 1 1 9 LEU CD2 C 0.526 4.707 -1.609 1.00 . A A . 9 LEU CD2 1 1
8 1486 1 1 9 LEU CG C -0.118 4.053 -2.848 1.00 . A A . 9 LEU CG 1 1
8 1487 1 1 9 LEU H H 0.059 -0.384 -2.036 1.00 . A A . 9 LEU H 1 1
8 1488 1 1 9 LEU HA H 1.519 1.827 -3.476 1.00 . A A . 9 LEU HA 1 1
8 1489 1 1 9 LEU HB2 H -1.000 2.221 -3.574 1.00 . A A . 9 LEU HB2 1 1
8 1490 1 1 9 LEU HB3 H -1.039 2.320 -1.826 1.00 . A A . 9 LEU HB3 1 1
8 1491 1 1 9 LEU HD11 H -1.253 5.876 -3.356 1.00 . A A . 9 LEU HD11 1 1
8 1492 1 1 9 LEU HD12 H -1.889 4.406 -4.114 1.00 . A A . 9 LEU HD12 1 1
8 1493 1 1 9 LEU HD13 H -2.178 4.705 -2.383 1.00 . A A . 9 LEU HD13 1 1
8 1494 1 1 9 LEU HD21 H 0.628 5.802 -1.725 1.00 . A A . 9 LEU HD21 1 1
8 1495 1 1 9 LEU HD22 H -0.061 4.525 -0.689 1.00 . A A . 9 LEU HD22 1 1
8 1496 1 1 9 LEU HD23 H 1.545 4.324 -1.430 1.00 . A A . 9 LEU HD23 1 1
8 1497 1 1 9 LEU HG H 0.571 4.197 -3.703 1.00 . A A . 9 LEU HG 1 1
8 1498 1 1 9 LEU N N 0.314 0.188 -2.847 1.00 . A A . 9 LEU N 1 1
8 1499 1 1 9 LEU O O 0.877 1.437 -0.235 1.00 . A A . 9 LEU O 1 1
8 1500 1 1 10 ILE C C 3.237 2.631 1.118 1.00 . A A . 10 ILE C 1 1
8 1501 1 1 10 ILE CA C 3.709 1.642 -0.005 1.00 . A A . 10 ILE CA 1 1
8 1502 1 1 10 ILE CB C 5.251 1.770 -0.310 1.00 . A A . 10 ILE CB 1 1
8 1503 1 1 10 ILE CD1 C 5.192 3.915 -1.853 1.00 . A A . 10 ILE CD1 1 1
8 1504 1 1 10 ILE CG1 C 5.803 3.189 -0.647 1.00 . A A . 10 ILE CG1 1 1
8 1505 1 1 10 ILE CG2 C 5.785 0.704 -1.300 1.00 . A A . 10 ILE CG2 1 1
8 1506 1 1 10 ILE H H 3.324 1.668 -2.179 1.00 . A A . 10 ILE H 1 1
8 1507 1 1 10 ILE HA H 3.576 0.615 0.395 1.00 . A A . 10 ILE HA 1 1
8 1508 1 1 10 ILE HB H 5.765 1.512 0.633 1.00 . A A . 10 ILE HB 1 1
8 1509 1 1 10 ILE HD11 H 5.274 3.315 -2.777 1.00 . A A . 10 ILE HD11 1 1
8 1510 1 1 10 ILE HD12 H 4.121 4.139 -1.689 1.00 . A A . 10 ILE HD12 1 1
8 1511 1 1 10 ILE HD13 H 5.699 4.879 -2.030 1.00 . A A . 10 ILE HD13 1 1
8 1512 1 1 10 ILE HG12 H 5.678 3.840 0.239 1.00 . A A . 10 ILE HG12 1 1
8 1513 1 1 10 ILE HG13 H 6.898 3.133 -0.787 1.00 . A A . 10 ILE HG13 1 1
8 1514 1 1 10 ILE HG21 H 5.497 -0.317 -0.990 1.00 . A A . 10 ILE HG21 1 1
8 1515 1 1 10 ILE HG22 H 5.400 0.854 -2.326 1.00 . A A . 10 ILE HG22 1 1
8 1516 1 1 10 ILE HG23 H 6.890 0.718 -1.363 1.00 . A A . 10 ILE HG23 1 1
8 1517 1 1 10 ILE N N 2.880 1.669 -1.256 1.00 . A A . 10 ILE N 1 1
8 1518 1 1 10 ILE O O 2.839 3.767 0.835 1.00 . A A . 10 ILE O 1 1
8 1519 1 1 11 CYS C C 4.054 3.926 4.003 1.00 . A A . 11 CYS C 1 1
8 1520 1 1 11 CYS CA C 2.884 2.989 3.563 1.00 . A A . 11 CYS CA 1 1
8 1521 1 1 11 CYS CB C 2.418 2.038 4.696 1.00 . A A . 11 CYS CB 1 1
8 1522 1 1 11 CYS H H 3.783 1.289 2.489 1.00 . A A . 11 CYS H 1 1
8 1523 1 1 11 CYS HA H 2.000 3.605 3.298 1.00 . A A . 11 CYS HA 1 1
8 1524 1 1 11 CYS HB2 H 3.061 1.142 4.782 1.00 . A A . 11 CYS HB2 1 1
8 1525 1 1 11 CYS HB3 H 2.495 2.544 5.677 1.00 . A A . 11 CYS HB3 1 1
8 1526 1 1 11 CYS N N 3.291 2.177 2.384 1.00 . A A . 11 CYS N 1 1
8 1527 1 1 11 CYS O O 4.821 3.620 4.922 1.00 . A A . 11 CYS O 1 1
8 1528 1 1 11 CYS SG S 0.686 1.540 4.538 1.00 . A A . 11 CYS SG 1 1
8 1529 1 1 12 THR C C 4.640 7.329 4.322 1.00 . A A . 12 THR C 1 1
8 1530 1 1 12 THR CA C 5.208 6.102 3.556 1.00 . A A . 12 THR CA 1 1
8 1531 1 1 12 THR CB C 5.929 6.492 2.228 1.00 . A A . 12 THR CB 1 1
8 1532 1 1 12 THR CG2 C 5.054 7.054 1.088 1.00 . A A . 12 THR CG2 1 1
8 1533 1 1 12 THR H H 3.578 5.121 2.482 1.00 . A A . 12 THR H 1 1
8 1534 1 1 12 THR HA H 5.990 5.628 4.169 1.00 . A A . 12 THR HA 1 1
8 1535 1 1 12 THR HB H 6.430 5.583 1.855 1.00 . A A . 12 THR HB 1 1
8 1536 1 1 12 THR HG1 H 7.102 7.913 1.665 1.00 . A A . 12 THR HG1 1 1
8 1537 1 1 12 THR HG21 H 5.657 7.278 0.190 1.00 . A A . 12 THR HG21 1 1
8 1538 1 1 12 THR HG22 H 4.276 6.333 0.776 1.00 . A A . 12 THR HG22 1 1
8 1539 1 1 12 THR HG23 H 4.541 7.987 1.385 1.00 . A A . 12 THR HG23 1 1
8 1540 1 1 12 THR N N 4.165 5.075 3.314 1.00 . A A . 12 THR N 1 1
8 1541 1 1 12 THR O O 3.529 7.806 4.062 1.00 . A A . 12 THR O 1 1
8 1542 1 1 12 THR OG1 O 6.954 7.445 2.491 1.00 . A A . 12 THR OG1 1 1
8 1543 1 1 13 THR C C 5.770 10.284 5.414 1.00 . A A . 13 THR C 1 1
8 1544 1 1 13 THR CA C 5.118 9.035 6.077 1.00 . A A . 13 THR CA 1 1
8 1545 1 1 13 THR CB C 5.540 8.872 7.563 1.00 . A A . 13 THR CB 1 1
8 1546 1 1 13 THR CG2 C 4.760 7.800 8.343 1.00 . A A . 13 THR CG2 1 1
8 1547 1 1 13 THR H H 6.378 7.403 5.299 1.00 . A A . 13 THR H 1 1
8 1548 1 1 13 THR HA H 4.018 9.173 6.093 1.00 . A A . 13 THR HA 1 1
8 1549 1 1 13 THR HB H 5.343 9.842 8.051 1.00 . A A . 13 THR HB 1 1
8 1550 1 1 13 THR HG1 H 7.371 9.170 7.046 1.00 . A A . 13 THR HG1 1 1
8 1551 1 1 13 THR HG21 H 5.069 7.773 9.404 1.00 . A A . 13 THR HG21 1 1
8 1552 1 1 13 THR HG22 H 3.671 7.995 8.325 1.00 . A A . 13 THR HG22 1 1
8 1553 1 1 13 THR HG23 H 4.923 6.789 7.928 1.00 . A A . 13 THR HG23 1 1
8 1554 1 1 13 THR N N 5.459 7.846 5.252 1.00 . A A . 13 THR N 1 1
8 1555 1 1 13 THR O O 6.933 10.623 5.660 1.00 . A A . 13 THR O 1 1
8 1556 1 1 13 THR OG1 O 6.935 8.590 7.677 1.00 . A A . 13 THR OG1 1 1
8 1557 1 1 14 ALA C C 4.219 13.133 3.690 1.00 . A A . 14 ALA C 1 1
8 1558 1 1 14 ALA CA C 5.401 12.146 3.803 1.00 . A A . 14 ALA CA 1 1
8 1559 1 1 14 ALA CB C 5.976 11.751 2.428 1.00 . A A . 14 ALA CB 1 1
8 1560 1 1 14 ALA H H 4.088 10.452 4.416 1.00 . A A . 14 ALA H 1 1
8 1561 1 1 14 ALA HXT H 2.458 13.284 2.891 1.00 . A A . 14 ALA HXT 1 1
8 1562 1 1 14 ALA HA H 6.200 12.675 4.359 1.00 . A A . 14 ALA HA 1 1
8 1563 1 1 14 ALA HB1 H 6.310 12.638 1.857 1.00 . A A . 14 ALA HB1 1 1
8 1564 1 1 14 ALA HB2 H 6.857 11.090 2.533 1.00 . A A . 14 ALA HB2 1 1
8 1565 1 1 14 ALA HB3 H 5.239 11.214 1.802 1.00 . A A . 14 ALA HB3 1 1
8 1566 1 1 14 ALA N N 4.980 10.936 4.553 1.00 . A A . 14 ALA N 1 1
8 1567 1 1 14 ALA O O 4.222 14.244 4.218 1.00 . A A . 14 ALA O 1 1
8 1568 1 1 14 ALA OXT O 3.175 12.647 2.942 1.00 . A A . 14 ALA OXT 1 1
9 1569 1 1 1 ACE C C -11.086 2.667 -2.530 1.00 . A A . 1 ACE C 1 1
9 1570 1 1 1 ACE CH3 C -11.273 3.785 -3.550 1.00 . A A . 1 ACE CH3 1 1
9 1571 1 1 1 ACE H1 H -11.935 4.578 -3.155 1.00 . A A . 1 ACE H1 1 1
9 1572 1 1 1 ACE H2 H -10.309 4.262 -3.809 1.00 . A A . 1 ACE H2 1 1
9 1573 1 1 1 ACE H3 H -11.731 3.411 -4.484 1.00 . A A . 1 ACE H3 1 1
9 1574 1 1 1 ACE O O -11.643 2.723 -1.431 1.00 . A A . 1 ACE O 1 1
9 1575 1 1 2 ILE C C -8.517 0.086 -2.344 1.00 . A A . 2 ILE C 1 1
9 1576 1 1 2 ILE CA C -9.994 0.475 -2.066 1.00 . A A . 2 ILE CA 1 1
9 1577 1 1 2 ILE CB C -11.048 -0.676 -2.189 1.00 . A A . 2 ILE CB 1 1
9 1578 1 1 2 ILE CD1 C -10.926 -1.506 0.293 1.00 . A A . 2 ILE CD1 1 1
9 1579 1 1 2 ILE CG1 C -10.839 -1.860 -1.200 1.00 . A A . 2 ILE CG1 1 1
9 1580 1 1 2 ILE CG2 C -11.252 -1.240 -3.620 1.00 . A A . 2 ILE CG2 1 1
9 1581 1 1 2 ILE H H -9.883 1.770 -3.853 1.00 . A A . 2 ILE H 1 1
9 1582 1 1 2 ILE HA H -10.067 0.814 -1.010 1.00 . A A . 2 ILE HA 1 1
9 1583 1 1 2 ILE HB H -11.999 -0.195 -1.905 1.00 . A A . 2 ILE HB 1 1
9 1584 1 1 2 ILE HD11 H -10.108 -0.832 0.609 1.00 . A A . 2 ILE HD11 1 1
9 1585 1 1 2 ILE HD12 H -11.882 -1.012 0.542 1.00 . A A . 2 ILE HD12 1 1
9 1586 1 1 2 ILE HD13 H -10.853 -2.413 0.922 1.00 . A A . 2 ILE HD13 1 1
9 1587 1 1 2 ILE HG12 H -11.601 -2.640 -1.393 1.00 . A A . 2 ILE HG12 1 1
9 1588 1 1 2 ILE HG13 H -9.869 -2.355 -1.400 1.00 . A A . 2 ILE HG13 1 1
9 1589 1 1 2 ILE HG21 H -12.100 -1.948 -3.664 1.00 . A A . 2 ILE HG21 1 1
9 1590 1 1 2 ILE HG22 H -11.474 -0.441 -4.350 1.00 . A A . 2 ILE HG22 1 1
9 1591 1 1 2 ILE HG23 H -10.360 -1.779 -3.987 1.00 . A A . 2 ILE HG23 1 1
9 1592 1 1 2 ILE N N -10.301 1.656 -2.924 1.00 . A A . 2 ILE N 1 1
9 1593 1 1 2 ILE O O -8.170 -0.466 -3.395 1.00 . A A . 2 ILE O 1 1
9 1594 1 1 3 TRP C C -5.569 0.102 -0.012 1.00 . A A . 3 TRP C 1 1
9 1595 1 1 3 TRP CA C -6.200 0.162 -1.433 1.00 . A A . 3 TRP CA 1 1
9 1596 1 1 3 TRP CB C -5.523 1.243 -2.333 1.00 . A A . 3 TRP CB 1 1
9 1597 1 1 3 TRP CD1 C -6.761 3.559 -2.166 1.00 . A A . 3 TRP CD1 1 1
9 1598 1 1 3 TRP CD2 C -4.790 3.466 -1.132 1.00 . A A . 3 TRP CD2 1 1
9 1599 1 1 3 TRP CE2 C -5.374 4.740 -0.928 1.00 . A A . 3 TRP CE2 1 1
9 1600 1 1 3 TRP CE3 C -3.565 3.126 -0.505 1.00 . A A . 3 TRP CE3 1 1
9 1601 1 1 3 TRP CG C -5.653 2.719 -1.912 1.00 . A A . 3 TRP CG 1 1
9 1602 1 1 3 TRP CH2 C -3.525 5.337 0.515 1.00 . A A . 3 TRP CH2 1 1
9 1603 1 1 3 TRP CZ2 C -4.731 5.688 -0.094 1.00 . A A . 3 TRP CZ2 1 1
9 1604 1 1 3 TRP CZ3 C -2.953 4.074 0.318 1.00 . A A . 3 TRP CZ3 1 1
9 1605 1 1 3 TRP H H -8.069 0.911 -0.590 1.00 . A A . 3 TRP H 1 1
9 1606 1 1 3 TRP HA H -6.059 -0.822 -1.911 1.00 . A A . 3 TRP HA 1 1
9 1607 1 1 3 TRP HB2 H -4.452 1.000 -2.425 1.00 . A A . 3 TRP HB2 1 1
9 1608 1 1 3 TRP HB3 H -5.918 1.139 -3.361 1.00 . A A . 3 TRP HB3 1 1
9 1609 1 1 3 TRP HD1 H -7.662 3.238 -2.676 1.00 . A A . 3 TRP HD1 1 1
9 1610 1 1 3 TRP HE1 H -7.267 5.603 -1.553 1.00 . A A . 3 TRP HE1 1 1
9 1611 1 1 3 TRP HE3 H -3.120 2.153 -0.642 1.00 . A A . 3 TRP HE3 1 1
9 1612 1 1 3 TRP HH2 H -3.032 6.049 1.162 1.00 . A A . 3 TRP HH2 1 1
9 1613 1 1 3 TRP HZ2 H -5.172 6.658 0.083 1.00 . A A . 3 TRP HZ2 1 1
9 1614 1 1 3 TRP HZ3 H -2.029 3.820 0.815 1.00 . A A . 3 TRP HZ3 1 1
9 1615 1 1 3 TRP N N -7.657 0.397 -1.365 1.00 . A A . 3 TRP N 1 1
9 1616 1 1 3 TRP NE1 N -6.598 4.825 -1.573 1.00 . A A . 3 TRP NE1 1 1
9 1617 1 1 3 TRP O O -5.880 0.921 0.861 1.00 . A A . 3 TRP O 1 1
9 1618 1 1 4 GLY C C -2.467 -0.618 1.319 1.00 . A A . 4 GLY C 1 1
9 1619 1 1 4 GLY CA C -3.939 -1.042 1.473 1.00 . A A . 4 GLY CA 1 1
9 1620 1 1 4 GLY H H -4.490 -1.477 -0.616 1.00 . A A . 4 GLY H 1 1
9 1621 1 1 4 GLY HA2 H -4.395 -0.458 2.296 1.00 . A A . 4 GLY HA2 1 1
9 1622 1 1 4 GLY HA3 H -4.034 -2.097 1.791 1.00 . A A . 4 GLY HA3 1 1
9 1623 1 1 4 GLY N N -4.656 -0.863 0.190 1.00 . A A . 4 GLY N 1 1
9 1624 1 1 4 GLY O O -2.181 0.575 1.184 1.00 . A A . 4 GLY O 1 1
9 1625 1 1 5 BCX C C 2.019 -2.288 0.097 1.00 . A A . 5 BCX C 1 1
9 1626 1 1 5 BCX CA C -0.094 -1.346 1.212 1.00 . A A . 5 BCX CA 1 1
9 1627 1 1 5 BCX CB C 0.557 -0.827 2.523 1.00 . A A . 5 BCX CB 1 1
9 1628 1 1 5 BCX CC C 0.606 -2.589 0.653 1.00 . A A . 5 BCX CC 1 1
9 1629 1 1 5 BCX H H -1.945 -2.542 1.396 1.00 . A A . 5 BCX H 1 1
9 1630 1 1 5 BCX HA H 0.069 -0.604 0.420 1.00 . A A . 5 BCX HA 1 1
9 1631 1 1 5 BCX HB2 H 0.169 -1.348 3.418 1.00 . A A . 5 BCX HB2 1 1
9 1632 1 1 5 BCX HB3 H 1.652 -0.993 2.530 1.00 . A A . 5 BCX HB3 1 1
9 1633 1 1 5 BCX HC1 H 0.012 -2.991 -0.193 1.00 . A A . 5 BCX HC1 1 1
9 1634 1 1 5 BCX HC2 H 0.597 -3.395 1.414 1.00 . A A . 5 BCX HC2 1 1
9 1635 1 1 5 BCX N N -1.549 -1.597 1.357 1.00 . A A . 5 BCX N 1 1
9 1636 1 1 5 BCX O O 2.212 -1.376 -0.710 1.00 . A A . 5 BCX O 1 1
9 1637 1 1 5 BCX SG S 0.297 0.951 2.658 1.00 . A A . 5 BCX SG 1 1
9 1638 1 1 6 SER C C 3.650 -4.294 -1.703 1.00 . A A . 6 SER C 1 1
9 1639 1 1 6 SER CA C 4.117 -3.466 -0.467 1.00 . A A . 6 SER CA 1 1
9 1640 1 1 6 SER CB C 5.233 -4.109 0.386 1.00 . A A . 6 SER CB 1 1
9 1641 1 1 6 SER H H 2.504 -3.898 1.003 1.00 . A A . 6 SER H 1 1
9 1642 1 1 6 SER HA H 4.542 -2.502 -0.816 1.00 . A A . 6 SER HA 1 1
9 1643 1 1 6 SER HB2 H 5.500 -3.447 1.235 1.00 . A A . 6 SER HB2 1 1
9 1644 1 1 6 SER HB3 H 4.901 -5.063 0.838 1.00 . A A . 6 SER HB3 1 1
9 1645 1 1 6 SER HG H 7.040 -4.754 0.178 1.00 . A A . 6 SER HG 1 1
9 1646 1 1 6 SER N N 2.945 -3.189 0.415 1.00 . A A . 6 SER N 1 1
9 1647 1 1 6 SER O O 3.689 -5.528 -1.720 1.00 . A A . 6 SER O 1 1
9 1648 1 1 6 SER OG O 6.399 -4.331 -0.399 1.00 . A A . 6 SER OG 1 1
9 1649 1 1 7 GLY C C 1.528 -3.193 -4.530 1.00 . A A . 7 GLY C 1 1
9 1650 1 1 7 GLY CA C 2.625 -4.128 -3.968 1.00 . A A . 7 GLY CA 1 1
9 1651 1 1 7 GLY H H 3.074 -2.549 -2.516 1.00 . A A . 7 GLY H 1 1
9 1652 1 1 7 GLY HA2 H 3.430 -4.263 -4.715 1.00 . A A . 7 GLY HA2 1 1
9 1653 1 1 7 GLY HA3 H 2.191 -5.133 -3.796 1.00 . A A . 7 GLY HA3 1 1
9 1654 1 1 7 GLY N N 3.194 -3.553 -2.726 1.00 . A A . 7 GLY N 1 1
9 1655 1 1 7 GLY O O 1.558 -2.857 -5.716 1.00 . A A . 7 GLY O 1 1
9 1656 1 1 8 LYS C C 0.027 -0.408 -4.057 1.00 . A A . 8 LYS C 1 1
9 1657 1 1 8 LYS CA C -0.539 -1.865 -4.043 1.00 . A A . 8 LYS CA 1 1
9 1658 1 1 8 LYS CB C -1.716 -2.104 -3.048 1.00 . A A . 8 LYS CB 1 1
9 1659 1 1 8 LYS CD C -3.817 -1.699 -4.590 1.00 . A A . 8 LYS CD 1 1
9 1660 1 1 8 LYS CE C -4.501 -3.076 -4.502 1.00 . A A . 8 LYS CE 1 1
9 1661 1 1 8 LYS CG C -3.013 -1.311 -3.331 1.00 . A A . 8 LYS CG 1 1
9 1662 1 1 8 LYS H H 0.731 -3.015 -2.694 1.00 . A A . 8 LYS H 1 1
9 1663 1 1 8 LYS HA H -0.897 -2.112 -5.063 1.00 . A A . 8 LYS HA 1 1
9 1664 1 1 8 LYS HB2 H -1.960 -3.181 -2.985 1.00 . A A . 8 LYS HB2 1 1
9 1665 1 1 8 LYS HB3 H -1.385 -1.847 -2.020 1.00 . A A . 8 LYS HB3 1 1
9 1666 1 1 8 LYS HD2 H -4.591 -0.922 -4.747 1.00 . A A . 8 LYS HD2 1 1
9 1667 1 1 8 LYS HD3 H -3.168 -1.644 -5.484 1.00 . A A . 8 LYS HD3 1 1
9 1668 1 1 8 LYS HE2 H -3.749 -3.879 -4.390 1.00 . A A . 8 LYS HE2 1 1
9 1669 1 1 8 LYS HE3 H -5.150 -3.131 -3.607 1.00 . A A . 8 LYS HE3 1 1
9 1670 1 1 8 LYS HG2 H -3.673 -1.394 -2.450 1.00 . A A . 8 LYS HG2 1 1
9 1671 1 1 8 LYS HG3 H -2.762 -0.235 -3.389 1.00 . A A . 8 LYS HG3 1 1
9 1672 1 1 8 LYS HZ1 H -4.730 -3.291 -6.545 1.00 . A A . 8 LYS HZ1 1 1
9 1673 1 1 8 LYS HZ2 H -6.027 -2.613 -5.817 1.00 . A A . 8 LYS HZ2 1 1
9 1674 1 1 8 LYS N N 0.552 -2.796 -3.679 1.00 . A A . 8 LYS N 1 1
9 1675 1 1 8 LYS NZ N -5.314 -3.343 -5.702 1.00 . A A . 8 LYS NZ 1 1
9 1676 1 1 8 LYS O O 0.201 0.161 -5.138 1.00 . A A . 8 LYS O 1 1
9 1677 1 1 9 LEU C C 1.515 1.621 -1.324 1.00 . A A . 9 LEU C 1 1
9 1678 1 1 9 LEU CA C 0.873 1.545 -2.740 1.00 . A A . 9 LEU CA 1 1
9 1679 1 1 9 LEU CB C -0.277 2.560 -2.961 1.00 . A A . 9 LEU CB 1 1
9 1680 1 1 9 LEU CD1 C 1.073 4.442 -4.114 1.00 . A A . 9 LEU CD1 1 1
9 1681 1 1 9 LEU CD2 C -1.188 4.922 -3.119 1.00 . A A . 9 LEU CD2 1 1
9 1682 1 1 9 LEU CG C 0.088 4.070 -2.987 1.00 . A A . 9 LEU CG 1 1
9 1683 1 1 9 LEU H H 0.063 -0.370 -2.045 1.00 . A A . 9 LEU H 1 1
9 1684 1 1 9 LEU HA H 1.627 1.702 -3.537 1.00 . A A . 9 LEU HA 1 1
9 1685 1 1 9 LEU HB2 H -0.772 2.296 -3.916 1.00 . A A . 9 LEU HB2 1 1
9 1686 1 1 9 LEU HB3 H -1.037 2.360 -2.180 1.00 . A A . 9 LEU HB3 1 1
9 1687 1 1 9 LEU HD11 H 1.293 5.526 -4.123 1.00 . A A . 9 LEU HD11 1 1
9 1688 1 1 9 LEU HD12 H 2.045 3.930 -3.996 1.00 . A A . 9 LEU HD12 1 1
9 1689 1 1 9 LEU HD13 H 0.681 4.178 -5.114 1.00 . A A . 9 LEU HD13 1 1
9 1690 1 1 9 LEU HD21 H -1.884 4.751 -2.280 1.00 . A A . 9 LEU HD21 1 1
9 1691 1 1 9 LEU HD22 H -0.963 6.005 -3.123 1.00 . A A . 9 LEU HD22 1 1
9 1692 1 1 9 LEU HD23 H -1.743 4.704 -4.051 1.00 . A A . 9 LEU HD23 1 1
9 1693 1 1 9 LEU HG H 0.566 4.329 -2.025 1.00 . A A . 9 LEU HG 1 1
9 1694 1 1 9 LEU N N 0.326 0.173 -2.873 1.00 . A A . 9 LEU N 1 1
9 1695 1 1 9 LEU O O 0.799 1.671 -0.319 1.00 . A A . 9 LEU O 1 1
9 1696 1 1 10 ILE C C 3.199 2.652 1.149 1.00 . A A . 10 ILE C 1 1
9 1697 1 1 10 ILE CA C 3.653 1.668 0.016 1.00 . A A . 10 ILE CA 1 1
9 1698 1 1 10 ILE CB C 5.197 1.809 -0.289 1.00 . A A . 10 ILE CB 1 1
9 1699 1 1 10 ILE CD1 C 5.163 4.299 -1.174 1.00 . A A . 10 ILE CD1 1 1
9 1700 1 1 10 ILE CG1 C 5.657 2.856 -1.354 1.00 . A A . 10 ILE CG1 1 1
9 1701 1 1 10 ILE CG2 C 5.816 0.436 -0.655 1.00 . A A . 10 ILE CG2 1 1
9 1702 1 1 10 ILE H H 3.343 1.592 -2.161 1.00 . A A . 10 ILE H 1 1
9 1703 1 1 10 ILE HA H 3.505 0.655 0.449 1.00 . A A . 10 ILE HA 1 1
9 1704 1 1 10 ILE HB H 5.701 2.096 0.655 1.00 . A A . 10 ILE HB 1 1
9 1705 1 1 10 ILE HD11 H 4.073 4.382 -1.340 1.00 . A A . 10 ILE HD11 1 1
9 1706 1 1 10 ILE HD12 H 5.372 4.687 -0.162 1.00 . A A . 10 ILE HD12 1 1
9 1707 1 1 10 ILE HD13 H 5.649 4.981 -1.895 1.00 . A A . 10 ILE HD13 1 1
9 1708 1 1 10 ILE HG12 H 6.763 2.884 -1.374 1.00 . A A . 10 ILE HG12 1 1
9 1709 1 1 10 ILE HG13 H 5.365 2.519 -2.367 1.00 . A A . 10 ILE HG13 1 1
9 1710 1 1 10 ILE HG21 H 5.633 -0.318 0.133 1.00 . A A . 10 ILE HG21 1 1
9 1711 1 1 10 ILE HG22 H 5.399 0.030 -1.596 1.00 . A A . 10 ILE HG22 1 1
9 1712 1 1 10 ILE HG23 H 6.914 0.497 -0.781 1.00 . A A . 10 ILE HG23 1 1
9 1713 1 1 10 ILE N N 2.861 1.639 -1.256 1.00 . A A . 10 ILE N 1 1
9 1714 1 1 10 ILE O O 2.767 3.778 0.885 1.00 . A A . 10 ILE O 1 1
9 1715 1 1 11 CYS C C 4.114 3.908 4.109 1.00 . A A . 11 CYS C 1 1
9 1716 1 1 11 CYS CA C 2.944 2.991 3.616 1.00 . A A . 11 CYS CA 1 1
9 1717 1 1 11 CYS CB C 2.440 2.018 4.714 1.00 . A A . 11 CYS CB 1 1
9 1718 1 1 11 CYS H H 3.754 1.269 2.497 1.00 . A A . 11 CYS H 1 1
9 1719 1 1 11 CYS HA H 2.079 3.640 3.369 1.00 . A A . 11 CYS HA 1 1
9 1720 1 1 11 CYS HB2 H 3.057 1.101 4.782 1.00 . A A . 11 CYS HB2 1 1
9 1721 1 1 11 CYS HB3 H 2.511 2.488 5.713 1.00 . A A . 11 CYS HB3 1 1
9 1722 1 1 11 CYS N N 3.322 2.196 2.415 1.00 . A A . 11 CYS N 1 1
9 1723 1 1 11 CYS O O 4.731 3.680 5.154 1.00 . A A . 11 CYS O 1 1
9 1724 1 1 11 CYS SG S 0.700 1.577 4.510 1.00 . A A . 11 CYS SG 1 1
9 1725 1 1 12 THR C C 4.929 7.324 3.007 1.00 . A A . 12 THR C 1 1
9 1726 1 1 12 THR CA C 5.445 5.975 3.597 1.00 . A A . 12 THR CA 1 1
9 1727 1 1 12 THR CB C 6.884 5.593 3.130 1.00 . A A . 12 THR CB 1 1
9 1728 1 1 12 THR CG2 C 7.600 4.551 4.004 1.00 . A A . 12 THR CG2 1 1
9 1729 1 1 12 THR H H 3.880 5.026 2.455 1.00 . A A . 12 THR H 1 1
9 1730 1 1 12 THR HA H 5.474 6.126 4.687 1.00 . A A . 12 THR HA 1 1
9 1731 1 1 12 THR HB H 7.479 6.515 3.172 1.00 . A A . 12 THR HB 1 1
9 1732 1 1 12 THR HG1 H 7.822 4.860 1.622 1.00 . A A . 12 THR HG1 1 1
9 1733 1 1 12 THR HG21 H 8.651 4.413 3.687 1.00 . A A . 12 THR HG21 1 1
9 1734 1 1 12 THR HG22 H 7.619 4.853 5.068 1.00 . A A . 12 THR HG22 1 1
9 1735 1 1 12 THR HG23 H 7.113 3.561 3.948 1.00 . A A . 12 THR HG23 1 1
9 1736 1 1 12 THR N N 4.398 4.963 3.328 1.00 . A A . 12 THR N 1 1
9 1737 1 1 12 THR O O 4.673 8.256 3.774 1.00 . A A . 12 THR O 1 1
9 1738 1 1 12 THR OG1 O 6.913 5.127 1.785 1.00 . A A . 12 THR OG1 1 1
9 1739 1 1 13 THR C C 2.689 8.717 1.018 1.00 . A A . 13 THR C 1 1
9 1740 1 1 13 THR CA C 4.254 8.653 0.989 1.00 . A A . 13 THR CA 1 1
9 1741 1 1 13 THR CB C 4.829 8.821 -0.452 1.00 . A A . 13 THR CB 1 1
9 1742 1 1 13 THR CG2 C 6.345 9.082 -0.509 1.00 . A A . 13 THR CG2 1 1
9 1743 1 1 13 THR H H 4.970 6.601 1.118 1.00 . A A . 13 THR H 1 1
9 1744 1 1 13 THR HA H 4.632 9.518 1.562 1.00 . A A . 13 THR HA 1 1
9 1745 1 1 13 THR HB H 4.339 9.699 -0.917 1.00 . A A . 13 THR HB 1 1
9 1746 1 1 13 THR HG1 H 5.034 7.825 -2.086 1.00 . A A . 13 THR HG1 1 1
9 1747 1 1 13 THR HG21 H 6.925 8.231 -0.108 1.00 . A A . 13 THR HG21 1 1
9 1748 1 1 13 THR HG22 H 6.687 9.252 -1.546 1.00 . A A . 13 THR HG22 1 1
9 1749 1 1 13 THR HG23 H 6.625 9.978 0.076 1.00 . A A . 13 THR HG23 1 1
9 1750 1 1 13 THR N N 4.773 7.436 1.666 1.00 . A A . 13 THR N 1 1
9 1751 1 1 13 THR O O 2.150 9.782 1.328 1.00 . A A . 13 THR O 1 1
9 1752 1 1 13 THR OG1 O 4.548 7.686 -1.267 1.00 . A A . 13 THR OG1 1 1
9 1753 1 1 14 ALA C C 0.044 6.194 1.247 1.00 . A A . 14 ALA C 1 1
9 1754 1 1 14 ALA CA C 0.486 7.571 0.705 1.00 . A A . 14 ALA CA 1 1
9 1755 1 1 14 ALA CB C -0.080 7.884 -0.693 1.00 . A A . 14 ALA CB 1 1
9 1756 1 1 14 ALA H H 2.513 6.765 0.500 1.00 . A A . 14 ALA H 1 1
9 1757 1 1 14 ALA HXT H 0.047 4.315 0.754 1.00 . A A . 14 ALA HXT 1 1
9 1758 1 1 14 ALA HA H 0.087 8.330 1.406 1.00 . A A . 14 ALA HA 1 1
9 1759 1 1 14 ALA HB1 H 0.191 8.906 -1.020 1.00 . A A . 14 ALA HB1 1 1
9 1760 1 1 14 ALA HB2 H 0.298 7.185 -1.463 1.00 . A A . 14 ALA HB2 1 1
9 1761 1 1 14 ALA HB3 H -1.184 7.824 -0.708 1.00 . A A . 14 ALA HB3 1 1
9 1762 1 1 14 ALA N N 1.967 7.614 0.692 1.00 . A A . 14 ALA N 1 1
9 1763 1 1 14 ALA O O -0.471 6.042 2.354 1.00 . A A . 14 ALA O 1 1
9 1764 1 1 14 ALA OXT O 0.297 5.162 0.377 1.00 . A A . 14 ALA OXT 1 1
10 1765 1 1 1 ACE C C -5.776 5.716 6.156 1.00 . A A . 1 ACE C 1 1
10 1766 1 1 1 ACE CH3 C -5.824 7.232 6.308 1.00 . A A . 1 ACE CH3 1 1
10 1767 1 1 1 ACE H1 H -5.686 7.739 5.334 1.00 . A A . 1 ACE H1 1 1
10 1768 1 1 1 ACE H2 H -6.787 7.569 6.737 1.00 . A A . 1 ACE H2 1 1
10 1769 1 1 1 ACE H3 H -5.023 7.589 6.979 1.00 . A A . 1 ACE H3 1 1
10 1770 1 1 1 ACE O O -4.887 5.060 6.701 1.00 . A A . 1 ACE O 1 1
10 1771 1 1 2 ILE C C -6.051 3.316 3.843 1.00 . A A . 2 ILE C 1 1
10 1772 1 1 2 ILE CA C -6.859 3.714 5.124 1.00 . A A . 2 ILE CA 1 1
10 1773 1 1 2 ILE CB C -8.358 3.222 5.144 1.00 . A A . 2 ILE CB 1 1
10 1774 1 1 2 ILE CD1 C -9.315 4.393 2.978 1.00 . A A . 2 ILE CD1 1 1
10 1775 1 1 2 ILE CG1 C -9.459 4.110 4.479 1.00 . A A . 2 ILE CG1 1 1
10 1776 1 1 2 ILE CG2 C -8.811 2.910 6.592 1.00 . A A . 2 ILE CG2 1 1
10 1777 1 1 2 ILE H H -7.398 5.859 4.996 1.00 . A A . 2 ILE H 1 1
10 1778 1 1 2 ILE HA H -6.361 3.164 5.951 1.00 . A A . 2 ILE HA 1 1
10 1779 1 1 2 ILE HB H -8.378 2.245 4.622 1.00 . A A . 2 ILE HB 1 1
10 1780 1 1 2 ILE HD11 H -9.257 3.459 2.389 1.00 . A A . 2 ILE HD11 1 1
10 1781 1 1 2 ILE HD12 H -10.177 4.969 2.596 1.00 . A A . 2 ILE HD12 1 1
10 1782 1 1 2 ILE HD13 H -8.409 4.987 2.758 1.00 . A A . 2 ILE HD13 1 1
10 1783 1 1 2 ILE HG12 H -10.447 3.629 4.620 1.00 . A A . 2 ILE HG12 1 1
10 1784 1 1 2 ILE HG13 H -9.539 5.075 5.014 1.00 . A A . 2 ILE HG13 1 1
10 1785 1 1 2 ILE HG21 H -8.830 3.819 7.224 1.00 . A A . 2 ILE HG21 1 1
10 1786 1 1 2 ILE HG22 H -9.825 2.468 6.625 1.00 . A A . 2 ILE HG22 1 1
10 1787 1 1 2 ILE HG23 H -8.141 2.183 7.086 1.00 . A A . 2 ILE HG23 1 1
10 1788 1 1 2 ILE N N -6.739 5.182 5.392 1.00 . A A . 2 ILE N 1 1
10 1789 1 1 2 ILE O O -6.603 3.081 2.764 1.00 . A A . 2 ILE O 1 1
10 1790 1 1 3 TRP C C -3.547 1.326 2.846 1.00 . A A . 3 TRP C 1 1
10 1791 1 1 3 TRP CA C -3.787 2.861 2.900 1.00 . A A . 3 TRP CA 1 1
10 1792 1 1 3 TRP CB C -2.446 3.641 3.064 1.00 . A A . 3 TRP CB 1 1
10 1793 1 1 3 TRP CD1 C -3.468 6.091 2.908 1.00 . A A . 3 TRP CD1 1 1
10 1794 1 1 3 TRP CD2 C -1.425 5.851 2.055 1.00 . A A . 3 TRP CD2 1 1
10 1795 1 1 3 TRP CE2 C -1.863 7.191 1.889 1.00 . A A . 3 TRP CE2 1 1
10 1796 1 1 3 TRP CE3 C -0.138 5.459 1.599 1.00 . A A . 3 TRP CE3 1 1
10 1797 1 1 3 TRP CG C -2.441 5.139 2.684 1.00 . A A . 3 TRP CG 1 1
10 1798 1 1 3 TRP CH2 C 0.232 7.735 0.812 1.00 . A A . 3 TRP CH2 1 1
10 1799 1 1 3 TRP CZ2 C -1.026 8.141 1.258 1.00 . A A . 3 TRP CZ2 1 1
10 1800 1 1 3 TRP CZ3 C 0.669 6.417 0.981 1.00 . A A . 3 TRP CZ3 1 1
10 1801 1 1 3 TRP H H -4.370 3.545 4.895 1.00 . A A . 3 TRP H 1 1
10 1802 1 1 3 TRP HA H -4.232 3.208 1.952 1.00 . A A . 3 TRP HA 1 1
10 1803 1 1 3 TRP HB2 H -2.059 3.530 4.095 1.00 . A A . 3 TRP HB2 1 1
10 1804 1 1 3 TRP HB3 H -1.681 3.144 2.437 1.00 . A A . 3 TRP HB3 1 1
10 1805 1 1 3 TRP HD1 H -4.413 5.877 3.385 1.00 . A A . 3 TRP HD1 1 1
10 1806 1 1 3 TRP HE1 H -3.691 8.222 2.441 1.00 . A A . 3 TRP HE1 1 1
10 1807 1 1 3 TRP HE3 H 0.213 4.443 1.714 1.00 . A A . 3 TRP HE3 1 1
10 1808 1 1 3 TRP HH2 H 0.883 8.452 0.334 1.00 . A A . 3 TRP HH2 1 1
10 1809 1 1 3 TRP HZ2 H -1.348 9.164 1.128 1.00 . A A . 3 TRP HZ2 1 1
10 1810 1 1 3 TRP HZ3 H 1.650 6.144 0.623 1.00 . A A . 3 TRP HZ3 1 1
10 1811 1 1 3 TRP N N -4.718 3.206 3.999 1.00 . A A . 3 TRP N 1 1
10 1812 1 1 3 TRP NE1 N -3.130 7.363 2.417 1.00 . A A . 3 TRP NE1 1 1
10 1813 1 1 3 TRP O O -3.067 0.724 3.813 1.00 . A A . 3 TRP O 1 1
10 1814 1 1 4 GLY C C -2.275 -0.952 0.890 1.00 . A A . 4 GLY C 1 1
10 1815 1 1 4 GLY CA C -3.685 -0.742 1.468 1.00 . A A . 4 GLY CA 1 1
10 1816 1 1 4 GLY H H -4.148 1.339 0.936 1.00 . A A . 4 GLY H 1 1
10 1817 1 1 4 GLY HA2 H -3.859 -1.335 2.388 1.00 . A A . 4 GLY HA2 1 1
10 1818 1 1 4 GLY HA3 H -4.435 -1.100 0.739 1.00 . A A . 4 GLY HA3 1 1
10 1819 1 1 4 GLY N N -3.882 0.709 1.698 1.00 . A A . 4 GLY N 1 1
10 1820 1 1 4 GLY O O -2.083 -0.894 -0.326 1.00 . A A . 4 GLY O 1 1
10 1821 1 1 5 BCX C C 1.998 -2.778 0.493 1.00 . A A . 5 BCX C 1 1
10 1822 1 1 5 BCX CA C 0.109 -1.342 1.438 1.00 . A A . 5 BCX CA 1 1
10 1823 1 1 5 BCX CB C 0.934 -0.727 2.599 1.00 . A A . 5 BCX CB 1 1
10 1824 1 1 5 BCX CC C 0.580 -2.768 1.135 1.00 . A A . 5 BCX CC 1 1
10 1825 1 1 5 BCX H H -1.630 -1.034 2.757 1.00 . A A . 5 BCX H 1 1
10 1826 1 1 5 BCX HA H 0.297 -0.834 0.479 1.00 . A A . 5 BCX HA 1 1
10 1827 1 1 5 BCX HB2 H 0.797 -1.316 3.527 1.00 . A A . 5 BCX HB2 1 1
10 1828 1 1 5 BCX HB3 H 2.020 -0.777 2.390 1.00 . A A . 5 BCX HB3 1 1
10 1829 1 1 5 BCX HC1 H -0.145 -3.228 0.435 1.00 . A A . 5 BCX HC1 1 1
10 1830 1 1 5 BCX HC2 H 0.539 -3.372 2.062 1.00 . A A . 5 BCX HC2 1 1
10 1831 1 1 5 BCX N N -1.316 -1.187 1.795 1.00 . A A . 5 BCX N 1 1
10 1832 1 1 5 BCX O O 2.578 -1.748 0.125 1.00 . A A . 5 BCX O 1 1
10 1833 1 1 5 BCX SG S 0.500 0.999 2.890 1.00 . A A . 5 BCX SG 1 1
10 1834 1 1 6 SER C C 3.523 -4.597 -1.856 1.00 . A A . 6 SER C 1 1
10 1835 1 1 6 SER CA C 3.813 -4.203 -0.383 1.00 . A A . 6 SER CA 1 1
10 1836 1 1 6 SER CB C 4.614 -5.211 0.467 1.00 . A A . 6 SER CB 1 1
10 1837 1 1 6 SER H H 1.804 -4.702 0.444 1.00 . A A . 6 SER H 1 1
10 1838 1 1 6 SER HA H 4.428 -3.277 -0.382 1.00 . A A . 6 SER HA 1 1
10 1839 1 1 6 SER HB2 H 4.815 -4.773 1.467 1.00 . A A . 6 SER HB2 1 1
10 1840 1 1 6 SER HB3 H 4.034 -6.134 0.652 1.00 . A A . 6 SER HB3 1 1
10 1841 1 1 6 SER HG H 5.634 -5.966 -0.984 1.00 . A A . 6 SER HG 1 1
10 1842 1 1 6 SER N N 2.515 -3.982 0.313 1.00 . A A . 6 SER N 1 1
10 1843 1 1 6 SER O O 3.485 -5.780 -2.208 1.00 . A A . 6 SER O 1 1
10 1844 1 1 6 SER OG O 5.854 -5.534 -0.154 1.00 . A A . 6 SER OG 1 1
10 1845 1 1 7 GLY C C 1.843 -2.807 -4.579 1.00 . A A . 7 GLY C 1 1
10 1846 1 1 7 GLY CA C 2.989 -3.748 -4.134 1.00 . A A . 7 GLY CA 1 1
10 1847 1 1 7 GLY H H 3.237 -2.642 -2.253 1.00 . A A . 7 GLY H 1 1
10 1848 1 1 7 GLY HA2 H 3.888 -3.548 -4.747 1.00 . A A . 7 GLY HA2 1 1
10 1849 1 1 7 GLY HA3 H 2.698 -4.790 -4.369 1.00 . A A . 7 GLY HA3 1 1
10 1850 1 1 7 GLY N N 3.333 -3.566 -2.701 1.00 . A A . 7 GLY N 1 1
10 1851 1 1 7 GLY O O 1.950 -2.159 -5.622 1.00 . A A . 7 GLY O 1 1
10 1852 1 1 8 LYS C C -0.118 -0.383 -3.847 1.00 . A A . 8 LYS C 1 1
10 1853 1 1 8 LYS CA C -0.432 -1.898 -4.053 1.00 . A A . 8 LYS CA 1 1
10 1854 1 1 8 LYS CB C -1.611 -2.391 -3.159 1.00 . A A . 8 LYS CB 1 1
10 1855 1 1 8 LYS CD C -3.412 -4.203 -2.660 1.00 . A A . 8 LYS CD 1 1
10 1856 1 1 8 LYS CE C -3.082 -4.535 -1.188 1.00 . A A . 8 LYS CE 1 1
10 1857 1 1 8 LYS CG C -2.238 -3.747 -3.561 1.00 . A A . 8 LYS CG 1 1
10 1858 1 1 8 LYS H H 0.831 -3.270 -2.911 1.00 . A A . 8 LYS H 1 1
10 1859 1 1 8 LYS HA H -0.739 -2.028 -5.110 1.00 . A A . 8 LYS HA 1 1
10 1860 1 1 8 LYS HB2 H -1.275 -2.450 -2.105 1.00 . A A . 8 LYS HB2 1 1
10 1861 1 1 8 LYS HB3 H -2.418 -1.634 -3.148 1.00 . A A . 8 LYS HB3 1 1
10 1862 1 1 8 LYS HD2 H -4.193 -3.420 -2.676 1.00 . A A . 8 LYS HD2 1 1
10 1863 1 1 8 LYS HD3 H -3.894 -5.083 -3.126 1.00 . A A . 8 LYS HD3 1 1
10 1864 1 1 8 LYS HE2 H -2.619 -3.667 -0.683 1.00 . A A . 8 LYS HE2 1 1
10 1865 1 1 8 LYS HE3 H -4.025 -4.721 -0.640 1.00 . A A . 8 LYS HE3 1 1
10 1866 1 1 8 LYS HG2 H -2.603 -3.677 -4.602 1.00 . A A . 8 LYS HG2 1 1
10 1867 1 1 8 LYS HG3 H -1.462 -4.536 -3.580 1.00 . A A . 8 LYS HG3 1 1
10 1868 1 1 8 LYS HZ1 H -1.311 -5.557 -1.504 1.00 . A A . 8 LYS HZ1 1 1
10 1869 1 1 8 LYS HZ2 H -1.992 -5.882 -0.051 1.00 . A A . 8 LYS HZ2 1 1
10 1870 1 1 8 LYS N N 0.748 -2.758 -3.793 1.00 . A A . 8 LYS N 1 1
10 1871 1 1 8 LYS NZ N -2.212 -5.719 -1.041 1.00 . A A . 8 LYS NZ 1 1
10 1872 1 1 8 LYS O O -0.231 0.379 -4.813 1.00 . A A . 8 LYS O 1 1
10 1873 1 1 9 LEU C C 1.485 1.526 -1.079 1.00 . A A . 9 LEU C 1 1
10 1874 1 1 9 LEU CA C 0.581 1.481 -2.338 1.00 . A A . 9 LEU CA 1 1
10 1875 1 1 9 LEU CB C -0.789 2.172 -2.091 1.00 . A A . 9 LEU CB 1 1
10 1876 1 1 9 LEU CD1 C -0.300 4.563 -2.930 1.00 . A A . 9 LEU CD1 1 1
10 1877 1 1 9 LEU CD2 C -2.185 4.145 -1.301 1.00 . A A . 9 LEU CD2 1 1
10 1878 1 1 9 LEU CG C -0.787 3.689 -1.757 1.00 . A A . 9 LEU CG 1 1
10 1879 1 1 9 LEU H H 0.234 -0.603 -1.854 1.00 . A A . 9 LEU H 1 1
10 1880 1 1 9 LEU HA H 1.086 1.956 -3.203 1.00 . A A . 9 LEU HA 1 1
10 1881 1 1 9 LEU HB2 H -1.425 1.984 -2.976 1.00 . A A . 9 LEU HB2 1 1
10 1882 1 1 9 LEU HB3 H -1.279 1.611 -1.268 1.00 . A A . 9 LEU HB3 1 1
10 1883 1 1 9 LEU HD11 H -0.933 4.442 -3.829 1.00 . A A . 9 LEU HD11 1 1
10 1884 1 1 9 LEU HD12 H -0.302 5.636 -2.666 1.00 . A A . 9 LEU HD12 1 1
10 1885 1 1 9 LEU HD13 H 0.737 4.315 -3.221 1.00 . A A . 9 LEU HD13 1 1
10 1886 1 1 9 LEU HD21 H -2.193 5.213 -1.011 1.00 . A A . 9 LEU HD21 1 1
10 1887 1 1 9 LEU HD22 H -2.948 4.013 -2.091 1.00 . A A . 9 LEU HD22 1 1
10 1888 1 1 9 LEU HD23 H -2.528 3.578 -0.414 1.00 . A A . 9 LEU HD23 1 1
10 1889 1 1 9 LEU HG H -0.101 3.859 -0.907 1.00 . A A . 9 LEU HG 1 1
10 1890 1 1 9 LEU N N 0.290 0.058 -2.631 1.00 . A A . 9 LEU N 1 1
10 1891 1 1 9 LEU O O 0.981 1.369 0.036 1.00 . A A . 9 LEU O 1 1
10 1892 1 1 10 ILE C C 3.297 2.825 1.058 1.00 . A A . 10 ILE C 1 1
10 1893 1 1 10 ILE CA C 3.761 1.850 -0.081 1.00 . A A . 10 ILE CA 1 1
10 1894 1 1 10 ILE CB C 5.244 2.113 -0.540 1.00 . A A . 10 ILE CB 1 1
10 1895 1 1 10 ILE CD1 C 4.817 4.161 -2.155 1.00 . A A . 10 ILE CD1 1 1
10 1896 1 1 10 ILE CG1 C 5.612 3.560 -0.988 1.00 . A A . 10 ILE CG1 1 1
10 1897 1 1 10 ILE CG2 C 5.777 1.055 -1.538 1.00 . A A . 10 ILE CG2 1 1
10 1898 1 1 10 ILE H H 3.116 1.877 -2.199 1.00 . A A . 10 ILE H 1 1
10 1899 1 1 10 ILE HA H 3.759 0.824 0.345 1.00 . A A . 10 ILE HA 1 1
10 1900 1 1 10 ILE HB H 5.864 1.951 0.362 1.00 . A A . 10 ILE HB 1 1
10 1901 1 1 10 ILE HD11 H 4.862 3.520 -3.053 1.00 . A A . 10 ILE HD11 1 1
10 1902 1 1 10 ILE HD12 H 3.753 4.299 -1.886 1.00 . A A . 10 ILE HD12 1 1
10 1903 1 1 10 ILE HD13 H 5.212 5.156 -2.426 1.00 . A A . 10 ILE HD13 1 1
10 1904 1 1 10 ILE HG12 H 5.499 4.242 -0.124 1.00 . A A . 10 ILE HG12 1 1
10 1905 1 1 10 ILE HG13 H 6.690 3.607 -1.231 1.00 . A A . 10 ILE HG13 1 1
10 1906 1 1 10 ILE HG21 H 6.863 1.170 -1.718 1.00 . A A . 10 ILE HG21 1 1
10 1907 1 1 10 ILE HG22 H 5.624 0.027 -1.162 1.00 . A A . 10 ILE HG22 1 1
10 1908 1 1 10 ILE HG23 H 5.278 1.120 -2.522 1.00 . A A . 10 ILE HG23 1 1
10 1909 1 1 10 ILE N N 2.798 1.784 -1.230 1.00 . A A . 10 ILE N 1 1
10 1910 1 1 10 ILE O O 2.800 3.921 0.781 1.00 . A A . 10 ILE O 1 1
10 1911 1 1 11 CYS C C 4.012 4.337 3.852 1.00 . A A . 11 CYS C 1 1
10 1912 1 1 11 CYS CA C 3.022 3.184 3.512 1.00 . A A . 11 CYS CA 1 1
10 1913 1 1 11 CYS CB C 2.791 2.217 4.701 1.00 . A A . 11 CYS CB 1 1
10 1914 1 1 11 CYS H H 4.054 1.584 2.404 1.00 . A A . 11 CYS H 1 1
10 1915 1 1 11 CYS HA H 2.024 3.620 3.300 1.00 . A A . 11 CYS HA 1 1
10 1916 1 1 11 CYS HB2 H 3.526 1.390 4.725 1.00 . A A . 11 CYS HB2 1 1
10 1917 1 1 11 CYS HB3 H 2.915 2.743 5.666 1.00 . A A . 11 CYS HB3 1 1
10 1918 1 1 11 CYS N N 3.446 2.398 2.323 1.00 . A A . 11 CYS N 1 1
10 1919 1 1 11 CYS O O 4.944 4.190 4.650 1.00 . A A . 11 CYS O 1 1
10 1920 1 1 11 CYS SG S 1.109 1.553 4.712 1.00 . A A . 11 CYS SG 1 1
10 1921 1 1 12 THR C C 3.535 7.882 3.623 1.00 . A A . 12 THR C 1 1
10 1922 1 1 12 THR CA C 4.551 6.731 3.381 1.00 . A A . 12 THR CA 1 1
10 1923 1 1 12 THR CB C 5.483 7.023 2.169 1.00 . A A . 12 THR CB 1 1
10 1924 1 1 12 THR CG2 C 6.667 6.052 2.021 1.00 . A A . 12 THR CG2 1 1
10 1925 1 1 12 THR H H 3.144 5.378 2.416 1.00 . A A . 12 THR H 1 1
10 1926 1 1 12 THR HA H 5.191 6.624 4.267 1.00 . A A . 12 THR HA 1 1
10 1927 1 1 12 THR HB H 5.913 8.030 2.314 1.00 . A A . 12 THR HB 1 1
10 1928 1 1 12 THR HG1 H 3.937 7.532 1.161 1.00 . A A . 12 THR HG1 1 1
10 1929 1 1 12 THR HG21 H 7.291 6.308 1.144 1.00 . A A . 12 THR HG21 1 1
10 1930 1 1 12 THR HG22 H 7.325 6.075 2.908 1.00 . A A . 12 THR HG22 1 1
10 1931 1 1 12 THR HG23 H 6.331 5.008 1.892 1.00 . A A . 12 THR HG23 1 1
10 1932 1 1 12 THR N N 3.760 5.491 3.218 1.00 . A A . 12 THR N 1 1
10 1933 1 1 12 THR O O 2.906 8.383 2.684 1.00 . A A . 12 THR O 1 1
10 1934 1 1 12 THR OG1 O 4.739 7.040 0.955 1.00 . A A . 12 THR OG1 1 1
10 1935 1 1 13 THR C C 3.181 10.233 6.361 1.00 . A A . 13 THR C 1 1
10 1936 1 1 13 THR CA C 2.442 9.358 5.309 1.00 . A A . 13 THR CA 1 1
10 1937 1 1 13 THR CB C 1.100 8.785 5.855 1.00 . A A . 13 THR CB 1 1
10 1938 1 1 13 THR CG2 C 0.132 8.289 4.768 1.00 . A A . 13 THR CG2 1 1
10 1939 1 1 13 THR H H 3.956 7.804 5.589 1.00 . A A . 13 THR H 1 1
10 1940 1 1 13 THR HA H 2.187 10.000 4.440 1.00 . A A . 13 THR HA 1 1
10 1941 1 1 13 THR HB H 0.590 9.595 6.401 1.00 . A A . 13 THR HB 1 1
10 1942 1 1 13 THR HG1 H 1.779 7.040 6.255 1.00 . A A . 13 THR HG1 1 1
10 1943 1 1 13 THR HG21 H -0.120 9.090 4.050 1.00 . A A . 13 THR HG21 1 1
10 1944 1 1 13 THR HG22 H 0.556 7.448 4.188 1.00 . A A . 13 THR HG22 1 1
10 1945 1 1 13 THR HG23 H -0.820 7.934 5.204 1.00 . A A . 13 THR HG23 1 1
10 1946 1 1 13 THR N N 3.380 8.284 4.895 1.00 . A A . 13 THR N 1 1
10 1947 1 1 13 THR O O 3.321 9.853 7.529 1.00 . A A . 13 THR O 1 1
10 1948 1 1 13 THR OG1 O 1.317 7.711 6.766 1.00 . A A . 13 THR OG1 1 1
10 1949 1 1 14 ALA C C 3.434 13.287 7.598 1.00 . A A . 14 ALA C 1 1
10 1950 1 1 14 ALA CA C 4.383 12.371 6.788 1.00 . A A . 14 ALA CA 1 1
10 1951 1 1 14 ALA CB C 5.363 13.182 5.919 1.00 . A A . 14 ALA CB 1 1
10 1952 1 1 14 ALA H H 3.527 11.555 4.913 1.00 . A A . 14 ALA H 1 1
10 1953 1 1 14 ALA HXT H 2.728 13.846 5.873 1.00 . A A . 14 ALA HXT 1 1
10 1954 1 1 14 ALA HA H 5.000 11.808 7.516 1.00 . A A . 14 ALA HA 1 1
10 1955 1 1 14 ALA HB1 H 6.085 12.525 5.397 1.00 . A A . 14 ALA HB1 1 1
10 1956 1 1 14 ALA HB2 H 4.848 13.783 5.146 1.00 . A A . 14 ALA HB2 1 1
10 1957 1 1 14 ALA HB3 H 5.961 13.882 6.531 1.00 . A A . 14 ALA HB3 1 1
10 1958 1 1 14 ALA N N 3.651 11.414 5.921 1.00 . A A . 14 ALA N 1 1
10 1959 1 1 14 ALA O O 3.443 13.338 8.827 1.00 . A A . 14 ALA O 1 1
10 1960 1 1 14 ALA OXT O 2.592 14.030 6.805 1.00 . A A . 14 ALA OXT 1 1
11 1961 1 1 1 ACE C C -5.834 6.331 4.328 1.00 . A A . 1 ACE C 1 1
11 1962 1 1 1 ACE CH3 C -6.278 7.090 5.575 1.00 . A A . 1 ACE CH3 1 1
11 1963 1 1 1 ACE H1 H -6.814 8.019 5.306 1.00 . A A . 1 ACE H1 1 1
11 1964 1 1 1 ACE H2 H -6.964 6.483 6.196 1.00 . A A . 1 ACE H2 1 1
11 1965 1 1 1 ACE H3 H -5.415 7.380 6.202 1.00 . A A . 1 ACE H3 1 1
11 1966 1 1 1 ACE O O -6.075 6.777 3.205 1.00 . A A . 1 ACE O 1 1
11 1967 1 1 2 ILE C C -4.847 2.835 3.938 1.00 . A A . 2 ILE C 1 1
11 1968 1 1 2 ILE CA C -4.670 4.304 3.470 1.00 . A A . 2 ILE CA 1 1
11 1969 1 1 2 ILE CB C -3.239 4.679 2.958 1.00 . A A . 2 ILE CB 1 1
11 1970 1 1 2 ILE CD1 C -3.585 3.765 0.514 1.00 . A A . 2 ILE CD1 1 1
11 1971 1 1 2 ILE CG1 C -2.712 3.806 1.778 1.00 . A A . 2 ILE CG1 1 1
11 1972 1 1 2 ILE CG2 C -2.136 4.761 4.047 1.00 . A A . 2 ILE CG2 1 1
11 1973 1 1 2 ILE H H -5.076 4.939 5.548 1.00 . A A . 2 ILE H 1 1
11 1974 1 1 2 ILE HA H -5.311 4.466 2.577 1.00 . A A . 2 ILE HA 1 1
11 1975 1 1 2 ILE HB H -3.370 5.701 2.565 1.00 . A A . 2 ILE HB 1 1
11 1976 1 1 2 ILE HD11 H -3.094 3.173 -0.280 1.00 . A A . 2 ILE HD11 1 1
11 1977 1 1 2 ILE HD12 H -4.565 3.291 0.700 1.00 . A A . 2 ILE HD12 1 1
11 1978 1 1 2 ILE HD13 H -3.769 4.777 0.108 1.00 . A A . 2 ILE HD13 1 1
11 1979 1 1 2 ILE HG12 H -1.710 4.165 1.474 1.00 . A A . 2 ILE HG12 1 1
11 1980 1 1 2 ILE HG13 H -2.550 2.767 2.124 1.00 . A A . 2 ILE HG13 1 1
11 1981 1 1 2 ILE HG21 H -2.422 5.434 4.875 1.00 . A A . 2 ILE HG21 1 1
11 1982 1 1 2 ILE HG22 H -1.915 3.772 4.491 1.00 . A A . 2 ILE HG22 1 1
11 1983 1 1 2 ILE HG23 H -1.185 5.152 3.639 1.00 . A A . 2 ILE HG23 1 1
11 1984 1 1 2 ILE N N -5.178 5.186 4.558 1.00 . A A . 2 ILE N 1 1
11 1985 1 1 2 ILE O O -4.098 2.326 4.779 1.00 . A A . 2 ILE O 1 1
11 1986 1 1 3 TRP C C -5.771 -0.108 2.451 1.00 . A A . 3 TRP C 1 1
11 1987 1 1 3 TRP CA C -6.209 0.768 3.660 1.00 . A A . 3 TRP CA 1 1
11 1988 1 1 3 TRP CB C -7.720 0.675 4.016 1.00 . A A . 3 TRP CB 1 1
11 1989 1 1 3 TRP CD1 C -8.171 2.656 5.702 1.00 . A A . 3 TRP CD1 1 1
11 1990 1 1 3 TRP CD2 C -8.423 0.613 6.557 1.00 . A A . 3 TRP CD2 1 1
11 1991 1 1 3 TRP CE2 C -8.673 1.587 7.559 1.00 . A A . 3 TRP CE2 1 1
11 1992 1 1 3 TRP CE3 C -8.499 -0.769 6.868 1.00 . A A . 3 TRP CE3 1 1
11 1993 1 1 3 TRP CG C -8.107 1.276 5.382 1.00 . A A . 3 TRP CG 1 1
11 1994 1 1 3 TRP CH2 C -9.081 -0.181 9.159 1.00 . A A . 3 TRP CH2 1 1
11 1995 1 1 3 TRP CZ2 C -9.005 1.184 8.875 1.00 . A A . 3 TRP CZ2 1 1
11 1996 1 1 3 TRP CZ3 C -8.831 -1.142 8.172 1.00 . A A . 3 TRP CZ3 1 1
11 1997 1 1 3 TRP H H -6.428 2.737 2.734 1.00 . A A . 3 TRP H 1 1
11 1998 1 1 3 TRP HA H -5.658 0.438 4.551 1.00 . A A . 3 TRP HA 1 1
11 1999 1 1 3 TRP HB2 H -8.335 1.139 3.222 1.00 . A A . 3 TRP HB2 1 1
11 2000 1 1 3 TRP HB3 H -8.025 -0.389 4.002 1.00 . A A . 3 TRP HB3 1 1
11 2001 1 1 3 TRP HD1 H -7.921 3.457 5.019 1.00 . A A . 3 TRP HD1 1 1
11 2002 1 1 3 TRP HE1 H -8.621 3.758 7.545 1.00 . A A . 3 TRP HE1 1 1
11 2003 1 1 3 TRP HE3 H -8.304 -1.524 6.118 1.00 . A A . 3 TRP HE3 1 1
11 2004 1 1 3 TRP HH2 H -9.333 -0.501 10.160 1.00 . A A . 3 TRP HH2 1 1
11 2005 1 1 3 TRP HZ2 H -9.196 1.916 9.647 1.00 . A A . 3 TRP HZ2 1 1
11 2006 1 1 3 TRP HZ3 H -8.894 -2.191 8.424 1.00 . A A . 3 TRP HZ3 1 1
11 2007 1 1 3 TRP N N -5.857 2.173 3.357 1.00 . A A . 3 TRP N 1 1
11 2008 1 1 3 TRP NE1 N -8.524 2.866 7.048 1.00 . A A . 3 TRP NE1 1 1
11 2009 1 1 3 TRP O O -6.562 -0.410 1.552 1.00 . A A . 3 TRP O 1 1
11 2010 1 1 4 GLY C C -2.416 -0.877 1.185 1.00 . A A . 4 GLY C 1 1
11 2011 1 1 4 GLY CA C -3.878 -1.310 1.379 1.00 . A A . 4 GLY CA 1 1
11 2012 1 1 4 GLY H H -3.933 -0.139 3.244 1.00 . A A . 4 GLY H 1 1
11 2013 1 1 4 GLY HA2 H -3.962 -2.385 1.629 1.00 . A A . 4 GLY HA2 1 1
11 2014 1 1 4 GLY HA3 H -4.412 -1.182 0.418 1.00 . A A . 4 GLY HA3 1 1
11 2015 1 1 4 GLY N N -4.484 -0.495 2.453 1.00 . A A . 4 GLY N 1 1
11 2016 1 1 4 GLY O O -2.155 0.101 0.478 1.00 . A A . 4 GLY O 1 1
11 2017 1 1 5 BCX C C 2.113 -2.052 0.538 1.00 . A A . 5 BCX C 1 1
11 2018 1 1 5 BCX CA C -0.030 -1.299 1.730 1.00 . A A . 5 BCX CA 1 1
11 2019 1 1 5 BCX CB C 0.492 -0.919 3.135 1.00 . A A . 5 BCX CB 1 1
11 2020 1 1 5 BCX CC C 0.729 -2.464 1.085 1.00 . A A . 5 BCX CC 1 1
11 2021 1 1 5 BCX H H -1.839 -2.377 2.387 1.00 . A A . 5 BCX H 1 1
11 2022 1 1 5 BCX HA H 0.161 -0.454 1.050 1.00 . A A . 5 BCX HA 1 1
11 2023 1 1 5 BCX HB2 H 0.282 -1.707 3.884 1.00 . A A . 5 BCX HB2 1 1
11 2024 1 1 5 BCX HB3 H 1.589 -0.784 3.134 1.00 . A A . 5 BCX HB3 1 1
11 2025 1 1 5 BCX HC1 H 0.151 -2.836 0.214 1.00 . A A . 5 BCX HC1 1 1
11 2026 1 1 5 BCX HC2 H 0.768 -3.323 1.784 1.00 . A A . 5 BCX HC2 1 1
11 2027 1 1 5 BCX N N -1.478 -1.604 1.817 1.00 . A A . 5 BCX N 1 1
11 2028 1 1 5 BCX O O 2.242 -1.085 -0.212 1.00 . A A . 5 BCX O 1 1
11 2029 1 1 5 BCX SG S -0.275 0.632 3.651 1.00 . A A . 5 BCX SG 1 1
11 2030 1 1 6 SER C C 3.802 -3.942 -1.356 1.00 . A A . 6 SER C 1 1
11 2031 1 1 6 SER CA C 4.254 -3.081 -0.135 1.00 . A A . 6 SER CA 1 1
11 2032 1 1 6 SER CB C 5.444 -3.642 0.674 1.00 . A A . 6 SER CB 1 1
11 2033 1 1 6 SER H H 2.714 -3.683 1.343 1.00 . A A . 6 SER H 1 1
11 2034 1 1 6 SER HA H 4.586 -2.084 -0.495 1.00 . A A . 6 SER HA 1 1
11 2035 1 1 6 SER HB2 H 5.702 -2.954 1.504 1.00 . A A . 6 SER HB2 1 1
11 2036 1 1 6 SER HB3 H 5.196 -4.610 1.149 1.00 . A A . 6 SER HB3 1 1
11 2037 1 1 6 SER HG H 6.361 -4.466 -0.808 1.00 . A A . 6 SER HG 1 1
11 2038 1 1 6 SER N N 3.094 -2.916 0.789 1.00 . A A . 6 SER N 1 1
11 2039 1 1 6 SER O O 3.961 -5.167 -1.386 1.00 . A A . 6 SER O 1 1
11 2040 1 1 6 SER OG O 6.590 -3.799 -0.155 1.00 . A A . 6 SER OG 1 1
11 2041 1 1 7 GLY C C 1.495 -3.021 -4.143 1.00 . A A . 7 GLY C 1 1
11 2042 1 1 7 GLY CA C 2.654 -3.871 -3.566 1.00 . A A . 7 GLY CA 1 1
11 2043 1 1 7 GLY H H 3.118 -2.239 -2.165 1.00 . A A . 7 GLY H 1 1
11 2044 1 1 7 GLY HA2 H 3.450 -3.987 -4.326 1.00 . A A . 7 GLY HA2 1 1
11 2045 1 1 7 GLY HA3 H 2.278 -4.892 -3.359 1.00 . A A . 7 GLY HA3 1 1
11 2046 1 1 7 GLY N N 3.224 -3.246 -2.349 1.00 . A A . 7 GLY N 1 1
11 2047 1 1 7 GLY O O 1.496 -2.728 -5.341 1.00 . A A . 7 GLY O 1 1
11 2048 1 1 8 LYS C C -0.176 -0.323 -3.903 1.00 . A A . 8 LYS C 1 1
11 2049 1 1 8 LYS CA C -0.655 -1.800 -3.701 1.00 . A A . 8 LYS CA 1 1
11 2050 1 1 8 LYS CB C -1.792 -1.986 -2.640 1.00 . A A . 8 LYS CB 1 1
11 2051 1 1 8 LYS CD C -3.646 -0.335 -3.576 1.00 . A A . 8 LYS CD 1 1
11 2052 1 1 8 LYS CE C -3.699 0.692 -2.433 1.00 . A A . 8 LYS CE 1 1
11 2053 1 1 8 LYS CG C -3.240 -1.760 -3.141 1.00 . A A . 8 LYS CG 1 1
11 2054 1 1 8 LYS H H 0.690 -2.835 -2.310 1.00 . A A . 8 LYS H 1 1
11 2055 1 1 8 LYS HA H -1.033 -2.176 -4.673 1.00 . A A . 8 LYS HA 1 1
11 2056 1 1 8 LYS HB2 H -1.770 -3.017 -2.234 1.00 . A A . 8 LYS HB2 1 1
11 2057 1 1 8 LYS HB3 H -1.599 -1.368 -1.740 1.00 . A A . 8 LYS HB3 1 1
11 2058 1 1 8 LYS HD2 H -2.972 0.018 -4.381 1.00 . A A . 8 LYS HD2 1 1
11 2059 1 1 8 LYS HD3 H -4.645 -0.398 -4.049 1.00 . A A . 8 LYS HD3 1 1
11 2060 1 1 8 LYS HE2 H -4.374 0.345 -1.628 1.00 . A A . 8 LYS HE2 1 1
11 2061 1 1 8 LYS HE3 H -2.701 0.807 -1.972 1.00 . A A . 8 LYS HE3 1 1
11 2062 1 1 8 LYS HG2 H -3.426 -2.449 -3.988 1.00 . A A . 8 LYS HG2 1 1
11 2063 1 1 8 LYS HG3 H -3.940 -2.099 -2.354 1.00 . A A . 8 LYS HG3 1 1
11 2064 1 1 8 LYS HZ1 H -3.514 2.367 -3.630 1.00 . A A . 8 LYS HZ1 1 1
11 2065 1 1 8 LYS HZ2 H -4.148 2.693 -2.159 1.00 . A A . 8 LYS HZ2 1 1
11 2066 1 1 8 LYS N N 0.502 -2.647 -3.301 1.00 . A A . 8 LYS N 1 1
11 2067 1 1 8 LYS NZ N -4.159 2.005 -2.919 1.00 . A A . 8 LYS NZ 1 1
11 2068 1 1 8 LYS O O -0.193 0.186 -5.027 1.00 . A A . 8 LYS O 1 1
11 2069 1 1 9 LEU C C 1.700 1.724 -1.555 1.00 . A A . 9 LEU C 1 1
11 2070 1 1 9 LEU CA C 0.786 1.720 -2.810 1.00 . A A . 9 LEU CA 1 1
11 2071 1 1 9 LEU CB C -0.403 2.707 -2.717 1.00 . A A . 9 LEU CB 1 1
11 2072 1 1 9 LEU CD1 C 0.579 4.671 -4.077 1.00 . A A . 9 LEU CD1 1 1
11 2073 1 1 9 LEU CD2 C -1.341 5.057 -2.496 1.00 . A A . 9 LEU CD2 1 1
11 2074 1 1 9 LEU CG C -0.073 4.225 -2.753 1.00 . A A . 9 LEU CG 1 1
11 2075 1 1 9 LEU H H 0.109 -0.130 -1.919 1.00 . A A . 9 LEU H 1 1
11 2076 1 1 9 LEU HA H 1.350 1.908 -3.745 1.00 . A A . 9 LEU HA 1 1
11 2077 1 1 9 LEU HB2 H -1.102 2.461 -3.538 1.00 . A A . 9 LEU HB2 1 1
11 2078 1 1 9 LEU HB3 H -0.956 2.466 -1.786 1.00 . A A . 9 LEU HB3 1 1
11 2079 1 1 9 LEU HD11 H -0.063 4.452 -4.952 1.00 . A A . 9 LEU HD11 1 1
11 2080 1 1 9 LEU HD12 H 0.787 5.758 -4.087 1.00 . A A . 9 LEU HD12 1 1
11 2081 1 1 9 LEU HD13 H 1.549 4.168 -4.248 1.00 . A A . 9 LEU HD13 1 1
11 2082 1 1 9 LEU HD21 H -1.126 6.143 -2.492 1.00 . A A . 9 LEU HD21 1 1
11 2083 1 1 9 LEU HD22 H -2.122 4.881 -3.260 1.00 . A A . 9 LEU HD22 1 1
11 2084 1 1 9 LEU HD23 H -1.785 4.824 -1.512 1.00 . A A . 9 LEU HD23 1 1
11 2085 1 1 9 LEU HG H 0.633 4.451 -1.930 1.00 . A A . 9 LEU HG 1 1
11 2086 1 1 9 LEU N N 0.268 0.335 -2.815 1.00 . A A . 9 LEU N 1 1
11 2087 1 1 9 LEU O O 1.183 1.622 -0.436 1.00 . A A . 9 LEU O 1 1
11 2088 1 1 10 ILE C C 3.698 2.678 0.641 1.00 . A A . 10 ILE C 1 1
11 2089 1 1 10 ILE CA C 4.036 1.797 -0.611 1.00 . A A . 10 ILE CA 1 1
11 2090 1 1 10 ILE CB C 5.528 1.926 -1.109 1.00 . A A . 10 ILE CB 1 1
11 2091 1 1 10 ILE CD1 C 6.651 0.190 0.486 1.00 . A A . 10 ILE CD1 1 1
11 2092 1 1 10 ILE CG1 C 6.613 1.639 -0.027 1.00 . A A . 10 ILE CG1 1 1
11 2093 1 1 10 ILE CG2 C 5.841 3.275 -1.803 1.00 . A A . 10 ILE CG2 1 1
11 2094 1 1 10 ILE H H 3.305 1.905 -2.719 1.00 . A A . 10 ILE H 1 1
11 2095 1 1 10 ILE HA H 3.978 0.746 -0.270 1.00 . A A . 10 ILE HA 1 1
11 2096 1 1 10 ILE HB H 5.701 1.140 -1.868 1.00 . A A . 10 ILE HB 1 1
11 2097 1 1 10 ILE HD11 H 6.829 -0.530 -0.335 1.00 . A A . 10 ILE HD11 1 1
11 2098 1 1 10 ILE HD12 H 7.463 0.049 1.223 1.00 . A A . 10 ILE HD12 1 1
11 2099 1 1 10 ILE HD13 H 5.708 -0.099 0.982 1.00 . A A . 10 ILE HD13 1 1
11 2100 1 1 10 ILE HG12 H 7.616 1.865 -0.437 1.00 . A A . 10 ILE HG12 1 1
11 2101 1 1 10 ILE HG13 H 6.496 2.330 0.830 1.00 . A A . 10 ILE HG13 1 1
11 2102 1 1 10 ILE HG21 H 5.140 3.485 -2.632 1.00 . A A . 10 ILE HG21 1 1
11 2103 1 1 10 ILE HG22 H 5.781 4.129 -1.104 1.00 . A A . 10 ILE HG22 1 1
11 2104 1 1 10 ILE HG23 H 6.856 3.285 -2.242 1.00 . A A . 10 ILE HG23 1 1
11 2105 1 1 10 ILE N N 3.035 1.837 -1.732 1.00 . A A . 10 ILE N 1 1
11 2106 1 1 10 ILE O O 3.828 3.906 0.628 1.00 . A A . 10 ILE O 1 1
11 2107 1 1 11 CYS C C 3.087 1.657 4.205 1.00 . A A . 11 CYS C 1 1
11 2108 1 1 11 CYS CA C 2.860 2.613 2.993 1.00 . A A . 11 CYS CA 1 1
11 2109 1 1 11 CYS CB C 1.436 3.213 2.893 1.00 . A A . 11 CYS CB 1 1
11 2110 1 1 11 CYS H H 3.175 0.981 1.538 1.00 . A A . 11 CYS H 1 1
11 2111 1 1 11 CYS HA H 3.529 3.471 3.176 1.00 . A A . 11 CYS HA 1 1
11 2112 1 1 11 CYS HB2 H 1.126 3.642 3.860 1.00 . A A . 11 CYS HB2 1 1
11 2113 1 1 11 CYS HB3 H 1.452 4.059 2.180 1.00 . A A . 11 CYS HB3 1 1
11 2114 1 1 11 CYS N N 3.241 1.989 1.703 1.00 . A A . 11 CYS N 1 1
11 2115 1 1 11 CYS O O 2.170 1.382 4.984 1.00 . A A . 11 CYS O 1 1
11 2116 1 1 11 CYS SG S 0.157 2.066 2.320 1.00 . A A . 11 CYS SG 1 1
11 2117 1 1 12 THR C C 4.628 0.934 6.939 1.00 . A A . 12 THR C 1 1
11 2118 1 1 12 THR CA C 4.715 0.279 5.523 1.00 . A A . 12 THR CA 1 1
11 2119 1 1 12 THR CB C 6.094 -0.418 5.290 1.00 . A A . 12 THR CB 1 1
11 2120 1 1 12 THR CG2 C 6.113 -1.421 4.124 1.00 . A A . 12 THR CG2 1 1
11 2121 1 1 12 THR H H 4.992 1.388 3.634 1.00 . A A . 12 THR H 1 1
11 2122 1 1 12 THR HA H 3.959 -0.522 5.525 1.00 . A A . 12 THR HA 1 1
11 2123 1 1 12 THR HB H 6.352 -0.993 6.200 1.00 . A A . 12 THR HB 1 1
11 2124 1 1 12 THR HG1 H 7.961 0.062 5.073 1.00 . A A . 12 THR HG1 1 1
11 2125 1 1 12 THR HG21 H 7.101 -1.905 4.021 1.00 . A A . 12 THR HG21 1 1
11 2126 1 1 12 THR HG22 H 5.369 -2.227 4.268 1.00 . A A . 12 THR HG22 1 1
11 2127 1 1 12 THR HG23 H 5.884 -0.933 3.160 1.00 . A A . 12 THR HG23 1 1
11 2128 1 1 12 THR N N 4.340 1.192 4.398 1.00 . A A . 12 THR N 1 1
11 2129 1 1 12 THR O O 3.987 0.381 7.836 1.00 . A A . 12 THR O 1 1
11 2130 1 1 12 THR OG1 O 7.129 0.544 5.076 1.00 . A A . 12 THR OG1 1 1
11 2131 1 1 13 THR C C 4.276 4.059 8.280 1.00 . A A . 13 THR C 1 1
11 2132 1 1 13 THR CA C 5.292 2.872 8.383 1.00 . A A . 13 THR CA 1 1
11 2133 1 1 13 THR CB C 6.749 3.246 8.809 1.00 . A A . 13 THR CB 1 1
11 2134 1 1 13 THR CG2 C 6.841 3.990 10.153 1.00 . A A . 13 THR CG2 1 1
11 2135 1 1 13 THR H H 5.669 2.441 6.235 1.00 . A A . 13 THR H 1 1
11 2136 1 1 13 THR HA H 4.921 2.214 9.193 1.00 . A A . 13 THR HA 1 1
11 2137 1 1 13 THR HB H 7.234 3.875 8.041 1.00 . A A . 13 THR HB 1 1
11 2138 1 1 13 THR HG1 H 7.126 1.556 9.655 1.00 . A A . 13 THR HG1 1 1
11 2139 1 1 13 THR HG21 H 6.321 4.964 10.119 1.00 . A A . 13 THR HG21 1 1
11 2140 1 1 13 THR HG22 H 6.394 3.406 10.979 1.00 . A A . 13 THR HG22 1 1
11 2141 1 1 13 THR HG23 H 7.892 4.196 10.427 1.00 . A A . 13 THR HG23 1 1
11 2142 1 1 13 THR N N 5.282 2.094 7.113 1.00 . A A . 13 THR N 1 1
11 2143 1 1 13 THR O O 3.367 4.117 9.114 1.00 . A A . 13 THR O 1 1
11 2144 1 1 13 THR OG1 O 7.532 2.063 8.947 1.00 . A A . 13 THR OG1 1 1
11 2145 1 1 14 ALA C C 2.442 5.793 6.034 1.00 . A A . 14 ALA C 1 1
11 2146 1 1 14 ALA CA C 3.472 6.128 7.136 1.00 . A A . 14 ALA CA 1 1
11 2147 1 1 14 ALA CB C 4.284 7.394 6.808 1.00 . A A . 14 ALA CB 1 1
11 2148 1 1 14 ALA H H 5.143 4.823 6.605 1.00 . A A . 14 ALA H 1 1
11 2149 1 1 14 ALA HXT H 0.573 5.315 5.855 1.00 . A A . 14 ALA HXT 1 1
11 2150 1 1 14 ALA HA H 2.931 6.333 8.082 1.00 . A A . 14 ALA HA 1 1
11 2151 1 1 14 ALA HB1 H 5.001 7.640 7.613 1.00 . A A . 14 ALA HB1 1 1
11 2152 1 1 14 ALA HB2 H 4.863 7.293 5.871 1.00 . A A . 14 ALA HB2 1 1
11 2153 1 1 14 ALA HB3 H 3.626 8.276 6.689 1.00 . A A . 14 ALA HB3 1 1
11 2154 1 1 14 ALA N N 4.407 4.988 7.301 1.00 . A A . 14 ALA N 1 1
11 2155 1 1 14 ALA O O 2.706 5.749 4.831 1.00 . A A . 14 ALA O 1 1
11 2156 1 1 14 ALA OXT O 1.198 5.534 6.549 1.00 . A A . 14 ALA OXT 1 1
12 2157 1 1 1 ACE C C -2.759 -9.681 -2.202 1.00 . A A . 1 ACE C 1 1
12 2158 1 1 1 ACE CH3 C -3.308 -10.687 -3.208 1.00 . A A . 1 ACE CH3 1 1
12 2159 1 1 1 ACE H1 H -2.603 -10.854 -4.043 1.00 . A A . 1 ACE H1 1 1
12 2160 1 1 1 ACE H2 H -3.489 -11.668 -2.731 1.00 . A A . 1 ACE H2 1 1
12 2161 1 1 1 ACE H3 H -4.271 -10.348 -3.635 1.00 . A A . 1 ACE H3 1 1
12 2162 1 1 1 ACE O O -2.573 -10.010 -1.028 1.00 . A A . 1 ACE O 1 1
12 2163 1 1 2 ILE C C -3.025 -6.209 -2.035 1.00 . A A . 2 ILE C 1 1
12 2164 1 1 2 ILE CA C -1.966 -7.341 -1.874 1.00 . A A . 2 ILE CA 1 1
12 2165 1 1 2 ILE CB C -0.529 -6.879 -2.292 1.00 . A A . 2 ILE CB 1 1
12 2166 1 1 2 ILE CD1 C 0.902 -8.765 -1.113 1.00 . A A . 2 ILE CD1 1 1
12 2167 1 1 2 ILE CG1 C 0.555 -7.996 -2.400 1.00 . A A . 2 ILE CG1 1 1
12 2168 1 1 2 ILE CG2 C 0.000 -5.722 -1.404 1.00 . A A . 2 ILE CG2 1 1
12 2169 1 1 2 ILE H H -2.846 -8.303 -3.644 1.00 . A A . 2 ILE H 1 1
12 2170 1 1 2 ILE HA H -1.900 -7.646 -0.808 1.00 . A A . 2 ILE HA 1 1
12 2171 1 1 2 ILE HB H -0.636 -6.459 -3.308 1.00 . A A . 2 ILE HB 1 1
12 2172 1 1 2 ILE HD11 H 0.017 -9.269 -0.681 1.00 . A A . 2 ILE HD11 1 1
12 2173 1 1 2 ILE HD12 H 1.656 -9.548 -1.310 1.00 . A A . 2 ILE HD12 1 1
12 2174 1 1 2 ILE HD13 H 1.321 -8.102 -0.335 1.00 . A A . 2 ILE HD13 1 1
12 2175 1 1 2 ILE HG12 H 0.244 -8.727 -3.168 1.00 . A A . 2 ILE HG12 1 1
12 2176 1 1 2 ILE HG13 H 1.487 -7.559 -2.807 1.00 . A A . 2 ILE HG13 1 1
12 2177 1 1 2 ILE HG21 H 0.989 -5.366 -1.739 1.00 . A A . 2 ILE HG21 1 1
12 2178 1 1 2 ILE HG22 H -0.670 -4.844 -1.429 1.00 . A A . 2 ILE HG22 1 1
12 2179 1 1 2 ILE HG23 H 0.100 -6.020 -0.344 1.00 . A A . 2 ILE HG23 1 1
12 2180 1 1 2 ILE N N -2.498 -8.463 -2.696 1.00 . A A . 2 ILE N 1 1
12 2181 1 1 2 ILE O O -3.141 -5.579 -3.091 1.00 . A A . 2 ILE O 1 1
12 2182 1 1 3 TRP C C -4.578 -4.055 0.346 1.00 . A A . 3 TRP C 1 1
12 2183 1 1 3 TRP CA C -4.852 -4.961 -0.885 1.00 . A A . 3 TRP CA 1 1
12 2184 1 1 3 TRP CB C -6.253 -5.630 -0.839 1.00 . A A . 3 TRP CB 1 1
12 2185 1 1 3 TRP CD1 C -6.360 -7.539 -2.645 1.00 . A A . 3 TRP CD1 1 1
12 2186 1 1 3 TRP CD2 C -7.426 -5.663 -3.193 1.00 . A A . 3 TRP CD2 1 1
12 2187 1 1 3 TRP CE2 C -7.525 -6.597 -4.256 1.00 . A A . 3 TRP CE2 1 1
12 2188 1 1 3 TRP CE3 C -8.006 -4.373 -3.313 1.00 . A A . 3 TRP CE3 1 1
12 2189 1 1 3 TRP CG C -6.696 -6.249 -2.174 1.00 . A A . 3 TRP CG 1 1
12 2190 1 1 3 TRP CH2 C -8.782 -4.978 -5.543 1.00 . A A . 3 TRP CH2 1 1
12 2191 1 1 3 TRP CZ2 C -8.209 -6.248 -5.445 1.00 . A A . 3 TRP CZ2 1 1
12 2192 1 1 3 TRP CZ3 C -8.682 -4.057 -4.493 1.00 . A A . 3 TRP CZ3 1 1
12 2193 1 1 3 TRP H H -3.606 -6.640 -0.206 1.00 . A A . 3 TRP H 1 1
12 2194 1 1 3 TRP HA H -4.809 -4.349 -1.798 1.00 . A A . 3 TRP HA 1 1
12 2195 1 1 3 TRP HB2 H -6.294 -6.394 -0.038 1.00 . A A . 3 TRP HB2 1 1
12 2196 1 1 3 TRP HB3 H -7.009 -4.880 -0.538 1.00 . A A . 3 TRP HB3 1 1
12 2197 1 1 3 TRP HD1 H -5.734 -8.238 -2.108 1.00 . A A . 3 TRP HD1 1 1
12 2198 1 1 3 TRP HE1 H -6.756 -8.611 -4.518 1.00 . A A . 3 TRP HE1 1 1
12 2199 1 1 3 TRP HE3 H -7.928 -3.649 -2.516 1.00 . A A . 3 TRP HE3 1 1
12 2200 1 1 3 TRP HH2 H -9.306 -4.700 -6.445 1.00 . A A . 3 TRP HH2 1 1
12 2201 1 1 3 TRP HZ2 H -8.288 -6.948 -6.265 1.00 . A A . 3 TRP HZ2 1 1
12 2202 1 1 3 TRP HZ3 H -9.130 -3.078 -4.600 1.00 . A A . 3 TRP HZ3 1 1
12 2203 1 1 3 TRP N N -3.779 -5.980 -0.955 1.00 . A A . 3 TRP N 1 1
12 2204 1 1 3 TRP NE1 N -6.869 -7.775 -3.935 1.00 . A A . 3 TRP NE1 1 1
12 2205 1 1 3 TRP O O -4.579 -4.519 1.492 1.00 . A A . 3 TRP O 1 1
12 2206 1 1 4 GLY C C -2.618 -1.232 0.906 1.00 . A A . 4 GLY C 1 1
12 2207 1 1 4 GLY CA C -4.047 -1.753 1.127 1.00 . A A . 4 GLY CA 1 1
12 2208 1 1 4 GLY H H -4.352 -2.516 -0.914 1.00 . A A . 4 GLY H 1 1
12 2209 1 1 4 GLY HA2 H -4.759 -0.912 1.037 1.00 . A A . 4 GLY HA2 1 1
12 2210 1 1 4 GLY HA3 H -4.182 -2.141 2.157 1.00 . A A . 4 GLY HA3 1 1
12 2211 1 1 4 GLY N N -4.354 -2.757 0.083 1.00 . A A . 4 GLY N 1 1
12 2212 1 1 4 GLY O O -2.428 -0.241 0.194 1.00 . A A . 4 GLY O 1 1
12 2213 1 1 5 BCX C C 1.890 -2.240 0.034 1.00 . A A . 5 BCX C 1 1
12 2214 1 1 5 BCX CA C -0.199 -1.558 1.372 1.00 . A A . 5 BCX CA 1 1
12 2215 1 1 5 BCX CB C 0.468 -1.435 2.768 1.00 . A A . 5 BCX CB 1 1
12 2216 1 1 5 BCX CC C 0.465 -2.607 0.473 1.00 . A A . 5 BCX CC 1 1
12 2217 1 1 5 BCX H H -1.941 -2.739 2.040 1.00 . A A . 5 BCX H 1 1
12 2218 1 1 5 BCX HA H -0.089 -0.613 0.821 1.00 . A A . 5 BCX HA 1 1
12 2219 1 1 5 BCX HB2 H -0.105 -0.763 3.427 1.00 . A A . 5 BCX HB2 1 1
12 2220 1 1 5 BCX HB3 H 0.551 -2.414 3.274 1.00 . A A . 5 BCX HB3 1 1
12 2221 1 1 5 BCX HC1 H -0.124 -2.721 -0.455 1.00 . A A . 5 BCX HC1 1 1
12 2222 1 1 5 BCX HC2 H 0.407 -3.607 0.951 1.00 . A A . 5 BCX HC2 1 1
12 2223 1 1 5 BCX N N -1.630 -1.914 1.515 1.00 . A A . 5 BCX N 1 1
12 2224 1 1 5 BCX O O 2.110 -1.342 -0.776 1.00 . A A . 5 BCX O 1 1
12 2225 1 1 5 BCX SG S 2.128 -0.745 2.684 1.00 . A A . 5 BCX SG 1 1
12 2226 1 1 6 SER C C 3.662 -4.216 -1.571 1.00 . A A . 6 SER C 1 1
12 2227 1 1 6 SER CA C 4.048 -3.396 -0.296 1.00 . A A . 6 SER CA 1 1
12 2228 1 1 6 SER CB C 5.047 -4.057 0.681 1.00 . A A . 6 SER CB 1 1
12 2229 1 1 6 SER H H 2.341 -3.750 1.093 1.00 . A A . 6 SER H 1 1
12 2230 1 1 6 SER HA H 4.527 -2.446 -0.612 1.00 . A A . 6 SER HA 1 1
12 2231 1 1 6 SER HB2 H 5.270 -3.373 1.527 1.00 . A A . 6 SER HB2 1 1
12 2232 1 1 6 SER HB3 H 4.621 -4.967 1.145 1.00 . A A . 6 SER HB3 1 1
12 2233 1 1 6 SER HG H 6.639 -3.555 -0.290 1.00 . A A . 6 SER HG 1 1
12 2234 1 1 6 SER N N 2.819 -3.076 0.486 1.00 . A A . 6 SER N 1 1
12 2235 1 1 6 SER O O 3.705 -5.450 -1.600 1.00 . A A . 6 SER O 1 1
12 2236 1 1 6 SER OG O 6.266 -4.384 0.022 1.00 . A A . 6 SER OG 1 1
12 2237 1 1 7 GLY C C 1.613 -3.101 -4.432 1.00 . A A . 7 GLY C 1 1
12 2238 1 1 7 GLY CA C 2.755 -4.004 -3.888 1.00 . A A . 7 GLY CA 1 1
12 2239 1 1 7 GLY H H 3.163 -2.455 -2.398 1.00 . A A . 7 GLY H 1 1
12 2240 1 1 7 GLY HA2 H 3.581 -4.055 -4.622 1.00 . A A . 7 GLY HA2 1 1
12 2241 1 1 7 GLY HA3 H 2.377 -5.039 -3.779 1.00 . A A . 7 GLY HA3 1 1
12 2242 1 1 7 GLY N N 3.265 -3.460 -2.609 1.00 . A A . 7 GLY N 1 1
12 2243 1 1 7 GLY O O 1.646 -2.727 -5.605 1.00 . A A . 7 GLY O 1 1
12 2244 1 1 8 LYS C C -0.070 -0.388 -3.993 1.00 . A A . 8 LYS C 1 1
12 2245 1 1 8 LYS CA C -0.531 -1.884 -3.957 1.00 . A A . 8 LYS CA 1 1
12 2246 1 1 8 LYS CB C -1.712 -2.147 -2.966 1.00 . A A . 8 LYS CB 1 1
12 2247 1 1 8 LYS CD C -3.749 -2.341 -4.567 1.00 . A A . 8 LYS CD 1 1
12 2248 1 1 8 LYS CE C -5.167 -1.833 -4.877 1.00 . A A . 8 LYS CE 1 1
12 2249 1 1 8 LYS CG C -3.090 -1.590 -3.391 1.00 . A A . 8 LYS CG 1 1
12 2250 1 1 8 LYS H H 0.755 -3.046 -2.614 1.00 . A A . 8 LYS H 1 1
12 2251 1 1 8 LYS HA H -0.868 -2.165 -4.975 1.00 . A A . 8 LYS HA 1 1
12 2252 1 1 8 LYS HB2 H -1.821 -3.226 -2.748 1.00 . A A . 8 LYS HB2 1 1
12 2253 1 1 8 LYS HB3 H -1.466 -1.714 -1.973 1.00 . A A . 8 LYS HB3 1 1
12 2254 1 1 8 LYS HD2 H -3.114 -2.245 -5.469 1.00 . A A . 8 LYS HD2 1 1
12 2255 1 1 8 LYS HD3 H -3.788 -3.422 -4.340 1.00 . A A . 8 LYS HD3 1 1
12 2256 1 1 8 LYS HE2 H -5.824 -1.960 -3.995 1.00 . A A . 8 LYS HE2 1 1
12 2257 1 1 8 LYS HE3 H -5.152 -0.751 -5.102 1.00 . A A . 8 LYS HE3 1 1
12 2258 1 1 8 LYS HG2 H -3.764 -1.637 -2.517 1.00 . A A . 8 LYS HG2 1 1
12 2259 1 1 8 LYS HG3 H -3.003 -0.513 -3.627 1.00 . A A . 8 LYS HG3 1 1
12 2260 1 1 8 LYS HZ1 H -6.676 -2.190 -6.248 1.00 . A A . 8 LYS HZ1 1 1
12 2261 1 1 8 LYS HZ2 H -5.175 -2.415 -6.861 1.00 . A A . 8 LYS HZ2 1 1
12 2262 1 1 8 LYS N N 0.604 -2.771 -3.589 1.00 . A A . 8 LYS N 1 1
12 2263 1 1 8 LYS NZ N -5.746 -2.561 -6.021 1.00 . A A . 8 LYS NZ 1 1
12 2264 1 1 8 LYS O O -0.031 0.217 -5.067 1.00 . A A . 8 LYS O 1 1
12 2265 1 1 9 LEU C C 1.548 1.589 -1.345 1.00 . A A . 9 LEU C 1 1
12 2266 1 1 9 LEU CA C 0.733 1.584 -2.669 1.00 . A A . 9 LEU CA 1 1
12 2267 1 1 9 LEU CB C -0.528 2.482 -2.606 1.00 . A A . 9 LEU CB 1 1
12 2268 1 1 9 LEU CD1 C 0.394 4.639 -3.680 1.00 . A A . 9 LEU CD1 1 1
12 2269 1 1 9 LEU CD2 C -1.649 4.723 -2.202 1.00 . A A . 9 LEU CD2 1 1
12 2270 1 1 9 LEU CG C -0.307 4.012 -2.459 1.00 . A A . 9 LEU CG 1 1
12 2271 1 1 9 LEU H H 0.118 -0.384 -1.987 1.00 . A A . 9 LEU H 1 1
12 2272 1 1 9 LEU HA H 1.353 1.877 -3.539 1.00 . A A . 9 LEU HA 1 1
12 2273 1 1 9 LEU HB2 H -1.126 2.278 -3.513 1.00 . A A . 9 LEU HB2 1 1
12 2274 1 1 9 LEU HB3 H -1.146 2.107 -1.764 1.00 . A A . 9 LEU HB3 1 1
12 2275 1 1 9 LEU HD11 H 1.402 4.214 -3.838 1.00 . A A . 9 LEU HD11 1 1
12 2276 1 1 9 LEU HD12 H -0.178 4.483 -4.614 1.00 . A A . 9 LEU HD12 1 1
12 2277 1 1 9 LEU HD13 H 0.531 5.730 -3.558 1.00 . A A . 9 LEU HD13 1 1
12 2278 1 1 9 LEU HD21 H -2.149 4.334 -1.296 1.00 . A A . 9 LEU HD21 1 1
12 2279 1 1 9 LEU HD22 H -1.513 5.810 -2.046 1.00 . A A . 9 LEU HD22 1 1
12 2280 1 1 9 LEU HD23 H -2.355 4.599 -3.045 1.00 . A A . 9 LEU HD23 1 1
12 2281 1 1 9 LEU HG H 0.331 4.191 -1.572 1.00 . A A . 9 LEU HG 1 1
12 2282 1 1 9 LEU N N 0.282 0.184 -2.823 1.00 . A A . 9 LEU N 1 1
12 2283 1 1 9 LEU O O 0.968 1.424 -0.265 1.00 . A A . 9 LEU O 1 1
12 2284 1 1 10 ILE C C 3.357 2.699 0.957 1.00 . A A . 10 ILE C 1 1
12 2285 1 1 10 ILE CA C 3.781 1.763 -0.227 1.00 . A A . 10 ILE CA 1 1
12 2286 1 1 10 ILE CB C 5.304 1.895 -0.608 1.00 . A A . 10 ILE CB 1 1
12 2287 1 1 10 ILE CD1 C 5.532 4.477 -1.103 1.00 . A A . 10 ILE CD1 1 1
12 2288 1 1 10 ILE CG1 C 5.739 3.034 -1.584 1.00 . A A . 10 ILE CG1 1 1
12 2289 1 1 10 ILE CG2 C 5.852 0.553 -1.157 1.00 . A A . 10 ILE CG2 1 1
12 2290 1 1 10 ILE H H 3.256 1.827 -2.373 1.00 . A A . 10 ILE H 1 1
12 2291 1 1 10 ILE HA H 3.673 0.727 0.159 1.00 . A A . 10 ILE HA 1 1
12 2292 1 1 10 ILE HB H 5.865 2.059 0.333 1.00 . A A . 10 ILE HB 1 1
12 2293 1 1 10 ILE HD11 H 6.052 5.194 -1.765 1.00 . A A . 10 ILE HD11 1 1
12 2294 1 1 10 ILE HD12 H 4.465 4.762 -1.111 1.00 . A A . 10 ILE HD12 1 1
12 2295 1 1 10 ILE HD13 H 5.920 4.633 -0.079 1.00 . A A . 10 ILE HD13 1 1
12 2296 1 1 10 ILE HG12 H 6.819 2.928 -1.802 1.00 . A A . 10 ILE HG12 1 1
12 2297 1 1 10 ILE HG13 H 5.242 2.910 -2.564 1.00 . A A . 10 ILE HG13 1 1
12 2298 1 1 10 ILE HG21 H 5.370 0.265 -2.111 1.00 . A A . 10 ILE HG21 1 1
12 2299 1 1 10 ILE HG22 H 6.943 0.593 -1.341 1.00 . A A . 10 ILE HG22 1 1
12 2300 1 1 10 ILE HG23 H 5.689 -0.277 -0.446 1.00 . A A . 10 ILE HG23 1 1
12 2301 1 1 10 ILE N N 2.880 1.783 -1.422 1.00 . A A . 10 ILE N 1 1
12 2302 1 1 10 ILE O O 3.133 3.901 0.790 1.00 . A A . 10 ILE O 1 1
12 2303 1 1 11 CYS C C 4.096 3.288 4.177 1.00 . A A . 11 CYS C 1 1
12 2304 1 1 11 CYS CA C 2.835 2.808 3.399 1.00 . A A . 11 CYS CA 1 1
12 2305 1 1 11 CYS CB C 1.886 1.906 4.219 1.00 . A A . 11 CYS CB 1 1
12 2306 1 1 11 CYS H H 3.446 1.098 2.158 1.00 . A A . 11 CYS H 1 1
12 2307 1 1 11 CYS HA H 2.211 3.684 3.145 1.00 . A A . 11 CYS HA 1 1
12 2308 1 1 11 CYS HB2 H 1.701 2.333 5.222 1.00 . A A . 11 CYS HB2 1 1
12 2309 1 1 11 CYS HB3 H 0.895 1.849 3.730 1.00 . A A . 11 CYS HB3 1 1
12 2310 1 1 11 CYS N N 3.229 2.099 2.156 1.00 . A A . 11 CYS N 1 1
12 2311 1 1 11 CYS O O 4.504 2.697 5.183 1.00 . A A . 11 CYS O 1 1
12 2312 1 1 11 CYS SG S 2.513 0.223 4.391 1.00 . A A . 11 CYS SG 1 1
12 2313 1 1 12 THR C C 6.124 6.503 3.923 1.00 . A A . 12 THR C 1 1
12 2314 1 1 12 THR CA C 5.941 4.991 4.256 1.00 . A A . 12 THR CA 1 1
12 2315 1 1 12 THR CB C 7.228 4.143 4.009 1.00 . A A . 12 THR CB 1 1
12 2316 1 1 12 THR CG2 C 7.917 4.143 2.630 1.00 . A A . 12 THR CG2 1 1
12 2317 1 1 12 THR H H 4.253 4.770 2.852 1.00 . A A . 12 THR H 1 1
12 2318 1 1 12 THR HA H 5.765 4.977 5.344 1.00 . A A . 12 THR HA 1 1
12 2319 1 1 12 THR HB H 6.929 3.103 4.177 1.00 . A A . 12 THR HB 1 1
12 2320 1 1 12 THR HG1 H 8.432 5.405 4.820 1.00 . A A . 12 THR HG1 1 1
12 2321 1 1 12 THR HG21 H 8.336 5.130 2.368 1.00 . A A . 12 THR HG21 1 1
12 2322 1 1 12 THR HG22 H 8.767 3.430 2.618 1.00 . A A . 12 THR HG22 1 1
12 2323 1 1 12 THR HG23 H 7.234 3.827 1.822 1.00 . A A . 12 THR HG23 1 1
12 2324 1 1 12 THR N N 4.714 4.371 3.671 1.00 . A A . 12 THR N 1 1
12 2325 1 1 12 THR O O 6.628 7.252 4.765 1.00 . A A . 12 THR O 1 1
12 2326 1 1 12 THR OG1 O 8.209 4.485 4.981 1.00 . A A . 12 THR OG1 1 1
12 2327 1 1 13 THR C C 4.431 8.979 2.341 1.00 . A A . 13 THR C 1 1
12 2328 1 1 13 THR CA C 5.849 8.344 2.254 1.00 . A A . 13 THR CA 1 1
12 2329 1 1 13 THR CB C 6.472 8.471 0.834 1.00 . A A . 13 THR CB 1 1
12 2330 1 1 13 THR CG2 C 7.968 8.122 0.753 1.00 . A A . 13 THR CG2 1 1
12 2331 1 1 13 THR H H 5.170 6.243 2.218 1.00 . A A . 13 THR H 1 1
12 2332 1 1 13 THR HA H 6.531 8.908 2.923 1.00 . A A . 13 THR HA 1 1
12 2333 1 1 13 THR HB H 6.368 9.529 0.544 1.00 . A A . 13 THR HB 1 1
12 2334 1 1 13 THR HG1 H 5.952 6.769 0.102 1.00 . A A . 13 THR HG1 1 1
12 2335 1 1 13 THR HG21 H 8.157 7.061 0.994 1.00 . A A . 13 THR HG21 1 1
12 2336 1 1 13 THR HG22 H 8.366 8.302 -0.261 1.00 . A A . 13 THR HG22 1 1
12 2337 1 1 13 THR HG23 H 8.569 8.733 1.452 1.00 . A A . 13 THR HG23 1 1
12 2338 1 1 13 THR N N 5.747 6.932 2.705 1.00 . A A . 13 THR N 1 1
12 2339 1 1 13 THR O O 3.599 8.850 1.435 1.00 . A A . 13 THR O 1 1
12 2340 1 1 13 THR OG1 O 5.777 7.684 -0.130 1.00 . A A . 13 THR OG1 1 1
12 2341 1 1 14 ALA C C 2.892 11.784 3.175 1.00 . A A . 14 ALA C 1 1
12 2342 1 1 14 ALA CA C 2.887 10.341 3.736 1.00 . A A . 14 ALA CA 1 1
12 2343 1 1 14 ALA CB C 2.617 10.281 5.252 1.00 . A A . 14 ALA CB 1 1
12 2344 1 1 14 ALA H H 4.948 9.614 4.139 1.00 . A A . 14 ALA H 1 1
12 2345 1 1 14 ALA HXT H 2.378 10.937 1.500 1.00 . A A . 14 ALA HXT 1 1
12 2346 1 1 14 ALA HA H 2.059 9.787 3.251 1.00 . A A . 14 ALA HA 1 1
12 2347 1 1 14 ALA HB1 H 1.647 10.747 5.506 1.00 . A A . 14 ALA HB1 1 1
12 2348 1 1 14 ALA HB2 H 2.574 9.239 5.620 1.00 . A A . 14 ALA HB2 1 1
12 2349 1 1 14 ALA HB3 H 3.393 10.807 5.840 1.00 . A A . 14 ALA HB3 1 1
12 2350 1 1 14 ALA N N 4.180 9.668 3.463 1.00 . A A . 14 ALA N 1 1
12 2351 1 1 14 ALA O O 3.192 12.783 3.829 1.00 . A A . 14 ALA O 1 1
12 2352 1 1 14 ALA OXT O 2.535 11.817 1.850 1.00 . A A . 14 ALA OXT 1 1
13 2353 1 1 1 ACE C C -4.369 -9.353 -3.753 1.00 . A A . 1 ACE C 1 1
13 2354 1 1 1 ACE CH3 C -5.066 -9.907 -4.993 1.00 . A A . 1 ACE CH3 1 1
13 2355 1 1 1 ACE H1 H -4.489 -9.697 -5.913 1.00 . A A . 1 ACE H1 1 1
13 2356 1 1 1 ACE H2 H -5.185 -11.004 -4.924 1.00 . A A . 1 ACE H2 1 1
13 2357 1 1 1 ACE H3 H -6.075 -9.473 -5.114 1.00 . A A . 1 ACE H3 1 1
13 2358 1 1 1 ACE O O -4.070 -10.097 -2.817 1.00 . A A . 1 ACE O 1 1
13 2359 1 1 2 ILE C C -4.099 -5.901 -2.632 1.00 . A A . 2 ILE C 1 1
13 2360 1 1 2 ILE CA C -3.449 -7.311 -2.660 1.00 . A A . 2 ILE CA 1 1
13 2361 1 1 2 ILE CB C -1.885 -7.367 -2.742 1.00 . A A . 2 ILE CB 1 1
13 2362 1 1 2 ILE CD1 C -1.139 -5.612 -0.901 1.00 . A A . 2 ILE CD1 1 1
13 2363 1 1 2 ILE CG1 C -1.152 -7.063 -1.404 1.00 . A A . 2 ILE CG1 1 1
13 2364 1 1 2 ILE CG2 C -1.224 -6.651 -3.946 1.00 . A A . 2 ILE CG2 1 1
13 2365 1 1 2 ILE H H -4.480 -7.542 -4.595 1.00 . A A . 2 ILE H 1 1
13 2366 1 1 2 ILE HA H -3.712 -7.839 -1.719 1.00 . A A . 2 ILE HA 1 1
13 2367 1 1 2 ILE HB H -1.685 -8.441 -2.896 1.00 . A A . 2 ILE HB 1 1
13 2368 1 1 2 ILE HD11 H -2.153 -5.222 -0.701 1.00 . A A . 2 ILE HD11 1 1
13 2369 1 1 2 ILE HD12 H -0.576 -5.536 0.046 1.00 . A A . 2 ILE HD12 1 1
13 2370 1 1 2 ILE HD13 H -0.652 -4.931 -1.623 1.00 . A A . 2 ILE HD13 1 1
13 2371 1 1 2 ILE HG12 H -1.573 -7.705 -0.606 1.00 . A A . 2 ILE HG12 1 1
13 2372 1 1 2 ILE HG13 H -0.100 -7.399 -1.493 1.00 . A A . 2 ILE HG13 1 1
13 2373 1 1 2 ILE HG21 H -1.331 -5.552 -3.892 1.00 . A A . 2 ILE HG21 1 1
13 2374 1 1 2 ILE HG22 H -0.141 -6.866 -4.008 1.00 . A A . 2 ILE HG22 1 1
13 2375 1 1 2 ILE HG23 H -1.668 -6.971 -4.907 1.00 . A A . 2 ILE HG23 1 1
13 2376 1 1 2 ILE N N -4.114 -8.039 -3.779 1.00 . A A . 2 ILE N 1 1
13 2377 1 1 2 ILE O O -3.898 -5.080 -3.531 1.00 . A A . 2 ILE O 1 1
13 2378 1 1 3 TRP C C -5.294 -3.809 0.012 1.00 . A A . 3 TRP C 1 1
13 2379 1 1 3 TRP CA C -5.644 -4.395 -1.384 1.00 . A A . 3 TRP CA 1 1
13 2380 1 1 3 TRP CB C -7.172 -4.627 -1.569 1.00 . A A . 3 TRP CB 1 1
13 2381 1 1 3 TRP CD1 C -7.476 -6.058 -3.758 1.00 . A A . 3 TRP CD1 1 1
13 2382 1 1 3 TRP CD2 C -8.198 -3.956 -3.902 1.00 . A A . 3 TRP CD2 1 1
13 2383 1 1 3 TRP CE2 C -8.388 -4.613 -5.144 1.00 . A A . 3 TRP CE2 1 1
13 2384 1 1 3 TRP CE3 C -8.576 -2.597 -3.742 1.00 . A A . 3 TRP CE3 1 1
13 2385 1 1 3 TRP CG C -7.620 -4.858 -3.023 1.00 . A A . 3 TRP CG 1 1
13 2386 1 1 3 TRP CH2 C -9.323 -2.579 -6.062 1.00 . A A . 3 TRP CH2 1 1
13 2387 1 1 3 TRP CZ2 C -8.956 -3.914 -6.237 1.00 . A A . 3 TRP CZ2 1 1
13 2388 1 1 3 TRP CZ3 C -9.135 -1.931 -4.834 1.00 . A A . 3 TRP CZ3 1 1
13 2389 1 1 3 TRP H H -4.965 -6.440 -0.938 1.00 . A A . 3 TRP H 1 1
13 2390 1 1 3 TRP HA H -5.334 -3.679 -2.158 1.00 . A A . 3 TRP HA 1 1
13 2391 1 1 3 TRP HB2 H -7.514 -5.470 -0.938 1.00 . A A . 3 TRP HB2 1 1
13 2392 1 1 3 TRP HB3 H -7.723 -3.754 -1.171 1.00 . A A . 3 TRP HB3 1 1
13 2393 1 1 3 TRP HD1 H -7.010 -6.957 -3.375 1.00 . A A . 3 TRP HD1 1 1
13 2394 1 1 3 TRP HE1 H -7.943 -6.627 -5.826 1.00 . A A . 3 TRP HE1 1 1
13 2395 1 1 3 TRP HE3 H -8.430 -2.082 -2.805 1.00 . A A . 3 TRP HE3 1 1
13 2396 1 1 3 TRP HH2 H -9.757 -2.035 -6.888 1.00 . A A . 3 TRP HH2 1 1
13 2397 1 1 3 TRP HZ2 H -9.102 -4.402 -7.189 1.00 . A A . 3 TRP HZ2 1 1
13 2398 1 1 3 TRP HZ3 H -9.427 -0.896 -4.730 1.00 . A A . 3 TRP HZ3 1 1
13 2399 1 1 3 TRP N N -4.901 -5.660 -1.586 1.00 . A A . 3 TRP N 1 1
13 2400 1 1 3 TRP NE1 N -7.944 -5.924 -5.078 1.00 . A A . 3 TRP NE1 1 1
13 2401 1 1 3 TRP O O -5.712 -4.334 1.049 1.00 . A A . 3 TRP O 1 1
13 2402 1 1 4 GLY C C -2.689 -1.414 0.991 1.00 . A A . 4 GLY C 1 1
13 2403 1 1 4 GLY CA C -4.082 -2.015 1.235 1.00 . A A . 4 GLY CA 1 1
13 2404 1 1 4 GLY H H -4.224 -2.398 -0.924 1.00 . A A . 4 GLY H 1 1
13 2405 1 1 4 GLY HA2 H -4.793 -1.201 1.468 1.00 . A A . 4 GLY HA2 1 1
13 2406 1 1 4 GLY HA3 H -4.090 -2.683 2.120 1.00 . A A . 4 GLY HA3 1 1
13 2407 1 1 4 GLY N N -4.521 -2.712 0.006 1.00 . A A . 4 GLY N 1 1
13 2408 1 1 4 GLY O O -2.568 -0.385 0.319 1.00 . A A . 4 GLY O 1 1
13 2409 1 1 5 BCX C C 1.863 -2.260 0.038 1.00 . A A . 5 BCX C 1 1
13 2410 1 1 5 BCX CA C -0.242 -1.638 1.375 1.00 . A A . 5 BCX CA 1 1
13 2411 1 1 5 BCX CB C 0.428 -1.467 2.762 1.00 . A A . 5 BCX CB 1 1
13 2412 1 1 5 BCX CC C 0.457 -2.672 0.489 1.00 . A A . 5 BCX CC 1 1
13 2413 1 1 5 BCX H H -1.905 -2.920 2.056 1.00 . A A . 5 BCX H 1 1
13 2414 1 1 5 BCX HA H -0.184 -0.699 0.802 1.00 . A A . 5 BCX HA 1 1
13 2415 1 1 5 BCX HB2 H -0.151 -0.783 3.404 1.00 . A A . 5 BCX HB2 1 1
13 2416 1 1 5 BCX HB3 H 0.527 -2.430 3.295 1.00 . A A . 5 BCX HB3 1 1
13 2417 1 1 5 BCX HC1 H -0.133 -2.828 -0.434 1.00 . A A . 5 BCX HC1 1 1
13 2418 1 1 5 BCX HC2 H 0.443 -3.663 0.989 1.00 . A A . 5 BCX HC2 1 1
13 2419 1 1 5 BCX N N -1.652 -2.070 1.540 1.00 . A A . 5 BCX N 1 1
13 2420 1 1 5 BCX O O 2.046 -1.366 -0.787 1.00 . A A . 5 BCX O 1 1
13 2421 1 1 5 BCX SG S 2.080 -0.763 2.665 1.00 . A A . 5 BCX SG 1 1
13 2422 1 1 6 SER C C 3.676 -4.193 -1.551 1.00 . A A . 6 SER C 1 1
13 2423 1 1 6 SER CA C 4.056 -3.347 -0.291 1.00 . A A . 6 SER CA 1 1
13 2424 1 1 6 SER CB C 5.080 -3.969 0.685 1.00 . A A . 6 SER CB 1 1
13 2425 1 1 6 SER H H 2.372 -3.733 1.122 1.00 . A A . 6 SER H 1 1
13 2426 1 1 6 SER HA H 4.505 -2.387 -0.619 1.00 . A A . 6 SER HA 1 1
13 2427 1 1 6 SER HB2 H 5.285 -3.269 1.524 1.00 . A A . 6 SER HB2 1 1
13 2428 1 1 6 SER HB3 H 4.686 -4.889 1.158 1.00 . A A . 6 SER HB3 1 1
13 2429 1 1 6 SER HG H 6.883 -4.656 0.669 1.00 . A A . 6 SER HG 1 1
13 2430 1 1 6 SER N N 2.823 -3.056 0.497 1.00 . A A . 6 SER N 1 1
13 2431 1 1 6 SER O O 3.739 -5.426 -1.566 1.00 . A A . 6 SER O 1 1
13 2432 1 1 6 SER OG O 6.303 -4.254 0.016 1.00 . A A . 6 SER OG 1 1
13 2433 1 1 7 GLY C C 1.621 -3.101 -4.422 1.00 . A A . 7 GLY C 1 1
13 2434 1 1 7 GLY CA C 2.743 -4.018 -3.861 1.00 . A A . 7 GLY CA 1 1
13 2435 1 1 7 GLY H H 3.139 -2.450 -2.385 1.00 . A A . 7 GLY H 1 1
13 2436 1 1 7 GLY HA2 H 3.568 -4.102 -4.592 1.00 . A A . 7 GLY HA2 1 1
13 2437 1 1 7 GLY HA3 H 2.340 -5.041 -3.727 1.00 . A A . 7 GLY HA3 1 1
13 2438 1 1 7 GLY N N 3.255 -3.454 -2.593 1.00 . A A . 7 GLY N 1 1
13 2439 1 1 7 GLY O O 1.677 -2.723 -5.595 1.00 . A A . 7 GLY O 1 1
13 2440 1 1 8 LYS C C -0.047 -0.365 -3.983 1.00 . A A . 8 LYS C 1 1
13 2441 1 1 8 LYS CA C -0.513 -1.858 -3.976 1.00 . A A . 8 LYS CA 1 1
13 2442 1 1 8 LYS CB C -1.716 -2.126 -3.013 1.00 . A A . 8 LYS CB 1 1
13 2443 1 1 8 LYS CD C -3.655 -1.863 -4.741 1.00 . A A . 8 LYS CD 1 1
13 2444 1 1 8 LYS CE C -5.096 -1.363 -4.932 1.00 . A A . 8 LYS CE 1 1
13 2445 1 1 8 LYS CG C -3.057 -1.448 -3.381 1.00 . A A . 8 LYS CG 1 1
13 2446 1 1 8 LYS H H 0.736 -3.046 -2.618 1.00 . A A . 8 LYS H 1 1
13 2447 1 1 8 LYS HA H -0.833 -2.124 -5.002 1.00 . A A . 8 LYS HA 1 1
13 2448 1 1 8 LYS HB2 H -1.890 -3.211 -2.899 1.00 . A A . 8 LYS HB2 1 1
13 2449 1 1 8 LYS HB3 H -1.449 -1.798 -1.985 1.00 . A A . 8 LYS HB3 1 1
13 2450 1 1 8 LYS HD2 H -3.015 -1.474 -5.557 1.00 . A A . 8 LYS HD2 1 1
13 2451 1 1 8 LYS HD3 H -3.628 -2.963 -4.840 1.00 . A A . 8 LYS HD3 1 1
13 2452 1 1 8 LYS HE2 H -5.746 -1.749 -4.125 1.00 . A A . 8 LYS HE2 1 1
13 2453 1 1 8 LYS HE3 H -5.137 -0.260 -4.866 1.00 . A A . 8 LYS HE3 1 1
13 2454 1 1 8 LYS HG2 H -3.783 -1.681 -2.580 1.00 . A A . 8 LYS HG2 1 1
13 2455 1 1 8 LYS HG3 H -2.941 -0.348 -3.346 1.00 . A A . 8 LYS HG3 1 1
13 2456 1 1 8 LYS HZ1 H -5.639 -2.818 -6.294 1.00 . A A . 8 LYS HZ1 1 1
13 2457 1 1 8 LYS HZ2 H -6.617 -1.510 -6.327 1.00 . A A . 8 LYS HZ2 1 1
13 2458 1 1 8 LYS N N 0.604 -2.760 -3.593 1.00 . A A . 8 LYS N 1 1
13 2459 1 1 8 LYS NZ N -5.635 -1.794 -6.235 1.00 . A A . 8 LYS NZ 1 1
13 2460 1 1 8 LYS O O 0.030 0.249 -5.050 1.00 . A A . 8 LYS O 1 1
13 2461 1 1 9 LEU C C 1.548 1.571 -1.315 1.00 . A A . 9 LEU C 1 1
13 2462 1 1 9 LEU CA C 0.698 1.598 -2.616 1.00 . A A . 9 LEU CA 1 1
13 2463 1 1 9 LEU CB C -0.575 2.476 -2.502 1.00 . A A . 9 LEU CB 1 1
13 2464 1 1 9 LEU CD1 C -1.782 4.690 -2.781 1.00 . A A . 9 LEU CD1 1 1
13 2465 1 1 9 LEU CD2 C 0.281 4.647 -1.349 1.00 . A A . 9 LEU CD2 1 1
13 2466 1 1 9 LEU CG C -0.409 4.021 -2.578 1.00 . A A . 9 LEU CG 1 1
13 2467 1 1 9 LEU H H 0.076 -0.389 -1.975 1.00 . A A . 9 LEU H 1 1
13 2468 1 1 9 LEU HA H 1.289 1.929 -3.493 1.00 . A A . 9 LEU HA 1 1
13 2469 1 1 9 LEU HB2 H -1.235 2.169 -3.337 1.00 . A A . 9 LEU HB2 1 1
13 2470 1 1 9 LEU HB3 H -1.126 2.180 -1.588 1.00 . A A . 9 LEU HB3 1 1
13 2471 1 1 9 LEU HD11 H -1.692 5.787 -2.895 1.00 . A A . 9 LEU HD11 1 1
13 2472 1 1 9 LEU HD12 H -2.288 4.321 -3.693 1.00 . A A . 9 LEU HD12 1 1
13 2473 1 1 9 LEU HD13 H -2.465 4.504 -1.930 1.00 . A A . 9 LEU HD13 1 1
13 2474 1 1 9 LEU HD21 H 0.307 5.752 -1.408 1.00 . A A . 9 LEU HD21 1 1
13 2475 1 1 9 LEU HD22 H -0.230 4.381 -0.404 1.00 . A A . 9 LEU HD22 1 1
13 2476 1 1 9 LEU HD23 H 1.333 4.324 -1.256 1.00 . A A . 9 LEU HD23 1 1
13 2477 1 1 9 LEU HG H 0.205 4.258 -3.469 1.00 . A A . 9 LEU HG 1 1
13 2478 1 1 9 LEU N N 0.258 0.197 -2.795 1.00 . A A . 9 LEU N 1 1
13 2479 1 1 9 LEU O O 1.000 1.381 -0.221 1.00 . A A . 9 LEU O 1 1
13 2480 1 1 10 ILE C C 3.424 2.684 0.926 1.00 . A A . 10 ILE C 1 1
13 2481 1 1 10 ILE CA C 3.818 1.740 -0.265 1.00 . A A . 10 ILE CA 1 1
13 2482 1 1 10 ILE CB C 5.326 1.901 -0.703 1.00 . A A . 10 ILE CB 1 1
13 2483 1 1 10 ILE CD1 C 5.312 4.410 -1.530 1.00 . A A . 10 ILE CD1 1 1
13 2484 1 1 10 ILE CG1 C 5.685 2.947 -1.806 1.00 . A A . 10 ILE CG1 1 1
13 2485 1 1 10 ILE CG2 C 5.921 0.535 -1.131 1.00 . A A . 10 ILE CG2 1 1
13 2486 1 1 10 ILE H H 3.223 1.814 -2.389 1.00 . A A . 10 ILE H 1 1
13 2487 1 1 10 ILE HA H 3.729 0.703 0.125 1.00 . A A . 10 ILE HA 1 1
13 2488 1 1 10 ILE HB H 5.905 2.188 0.198 1.00 . A A . 10 ILE HB 1 1
13 2489 1 1 10 ILE HD11 H 5.711 4.763 -0.562 1.00 . A A . 10 ILE HD11 1 1
13 2490 1 1 10 ILE HD12 H 5.714 5.078 -2.313 1.00 . A A . 10 ILE HD12 1 1
13 2491 1 1 10 ILE HD13 H 4.217 4.557 -1.516 1.00 . A A . 10 ILE HD13 1 1
13 2492 1 1 10 ILE HG12 H 6.777 2.921 -1.986 1.00 . A A . 10 ILE HG12 1 1
13 2493 1 1 10 ILE HG13 H 5.235 2.649 -2.773 1.00 . A A . 10 ILE HG13 1 1
13 2494 1 1 10 ILE HG21 H 7.001 0.604 -1.361 1.00 . A A . 10 ILE HG21 1 1
13 2495 1 1 10 ILE HG22 H 5.823 -0.223 -0.331 1.00 . A A . 10 ILE HG22 1 1
13 2496 1 1 10 ILE HG23 H 5.419 0.128 -2.029 1.00 . A A . 10 ILE HG23 1 1
13 2497 1 1 10 ILE N N 2.876 1.766 -1.427 1.00 . A A . 10 ILE N 1 1
13 2498 1 1 10 ILE O O 3.309 3.904 0.777 1.00 . A A . 10 ILE O 1 1
13 2499 1 1 11 CYS C C 4.055 3.236 4.162 1.00 . A A . 11 CYS C 1 1
13 2500 1 1 11 CYS CA C 2.807 2.786 3.348 1.00 . A A . 11 CYS CA 1 1
13 2501 1 1 11 CYS CB C 1.829 1.903 4.151 1.00 . A A . 11 CYS CB 1 1
13 2502 1 1 11 CYS H H 3.348 1.061 2.097 1.00 . A A . 11 CYS H 1 1
13 2503 1 1 11 CYS HA H 2.200 3.670 3.082 1.00 . A A . 11 CYS HA 1 1
13 2504 1 1 11 CYS HB2 H 1.620 2.343 5.143 1.00 . A A . 11 CYS HB2 1 1
13 2505 1 1 11 CYS HB3 H 0.852 1.843 3.636 1.00 . A A . 11 CYS HB3 1 1
13 2506 1 1 11 CYS N N 3.203 2.074 2.107 1.00 . A A . 11 CYS N 1 1
13 2507 1 1 11 CYS O O 4.464 2.593 5.135 1.00 . A A . 11 CYS O 1 1
13 2508 1 1 11 CYS SG S 2.451 0.224 4.362 1.00 . A A . 11 CYS SG 1 1
13 2509 1 1 12 THR C C 5.428 5.797 5.637 1.00 . A A . 12 THR C 1 1
13 2510 1 1 12 THR CA C 5.847 4.959 4.393 1.00 . A A . 12 THR CA 1 1
13 2511 1 1 12 THR CB C 6.690 5.800 3.387 1.00 . A A . 12 THR CB 1 1
13 2512 1 1 12 THR CG2 C 7.327 4.992 2.242 1.00 . A A . 12 THR CG2 1 1
13 2513 1 1 12 THR H H 4.325 4.699 2.833 1.00 . A A . 12 THR H 1 1
13 2514 1 1 12 THR HA H 6.499 4.124 4.704 1.00 . A A . 12 THR HA 1 1
13 2515 1 1 12 THR HB H 7.524 6.270 3.945 1.00 . A A . 12 THR HB 1 1
13 2516 1 1 12 THR HG1 H 5.385 7.194 3.558 1.00 . A A . 12 THR HG1 1 1
13 2517 1 1 12 THR HG21 H 7.921 5.642 1.573 1.00 . A A . 12 THR HG21 1 1
13 2518 1 1 12 THR HG22 H 8.004 4.208 2.625 1.00 . A A . 12 THR HG22 1 1
13 2519 1 1 12 THR HG23 H 6.563 4.492 1.619 1.00 . A A . 12 THR HG23 1 1
13 2520 1 1 12 THR N N 4.642 4.374 3.748 1.00 . A A . 12 THR N 1 1
13 2521 1 1 12 THR O O 4.920 6.916 5.506 1.00 . A A . 12 THR O 1 1
13 2522 1 1 12 THR OG1 O 5.904 6.848 2.825 1.00 . A A . 12 THR OG1 1 1
13 2523 1 1 13 THR C C 6.441 5.574 9.120 1.00 . A A . 13 THR C 1 1
13 2524 1 1 13 THR CA C 5.284 5.872 8.125 1.00 . A A . 13 THR CA 1 1
13 2525 1 1 13 THR CB C 3.901 5.384 8.658 1.00 . A A . 13 THR CB 1 1
13 2526 1 1 13 THR CG2 C 2.688 6.003 7.943 1.00 . A A . 13 THR CG2 1 1
13 2527 1 1 13 THR H H 6.040 4.288 6.824 1.00 . A A . 13 THR H 1 1
13 2528 1 1 13 THR HA H 5.210 6.973 7.996 1.00 . A A . 13 THR HA 1 1
13 2529 1 1 13 THR HB H 3.837 5.672 9.721 1.00 . A A . 13 THR HB 1 1
13 2530 1 1 13 THR HG1 H 3.878 3.758 7.646 1.00 . A A . 13 THR HG1 1 1
13 2531 1 1 13 THR HG21 H 2.652 5.725 6.874 1.00 . A A . 13 THR HG21 1 1
13 2532 1 1 13 THR HG22 H 1.740 5.665 8.400 1.00 . A A . 13 THR HG22 1 1
13 2533 1 1 13 THR HG23 H 2.701 7.108 7.998 1.00 . A A . 13 THR HG23 1 1
13 2534 1 1 13 THR N N 5.638 5.229 6.835 1.00 . A A . 13 THR N 1 1
13 2535 1 1 13 THR O O 6.548 4.471 9.669 1.00 . A A . 13 THR O 1 1
13 2536 1 1 13 THR OG1 O 3.778 3.967 8.578 1.00 . A A . 13 THR OG1 1 1
13 2537 1 1 14 ALA C C 8.082 6.901 11.690 1.00 . A A . 14 ALA C 1 1
13 2538 1 1 14 ALA CA C 8.466 6.473 10.255 1.00 . A A . 14 ALA CA 1 1
13 2539 1 1 14 ALA CB C 9.616 7.331 9.698 1.00 . A A . 14 ALA CB 1 1
13 2540 1 1 14 ALA H H 7.113 7.420 8.782 1.00 . A A . 14 ALA H 1 1
13 2541 1 1 14 ALA HXT H 7.921 6.141 13.464 1.00 . A A . 14 ALA HXT 1 1
13 2542 1 1 14 ALA HA H 8.833 5.427 10.278 1.00 . A A . 14 ALA HA 1 1
13 2543 1 1 14 ALA HB1 H 9.348 8.404 9.630 1.00 . A A . 14 ALA HB1 1 1
13 2544 1 1 14 ALA HB2 H 10.518 7.262 10.334 1.00 . A A . 14 ALA HB2 1 1
13 2545 1 1 14 ALA HB3 H 9.918 7.005 8.685 1.00 . A A . 14 ALA HB3 1 1
13 2546 1 1 14 ALA N N 7.305 6.581 9.339 1.00 . A A . 14 ALA N 1 1
13 2547 1 1 14 ALA O O 7.736 8.041 12.002 1.00 . A A . 14 ALA O 1 1
13 2548 1 1 14 ALA OXT O 8.167 5.862 12.579 1.00 . A A . 14 ALA OXT 1 1
14 2549 1 1 1 ACE C C -10.489 -8.298 1.022 1.00 . A A . 1 ACE C 1 1
14 2550 1 1 1 ACE CH3 C -11.106 -9.104 2.160 1.00 . A A . 1 ACE CH3 1 1
14 2551 1 1 1 ACE H1 H -11.715 -9.941 1.770 1.00 . A A . 1 ACE H1 1 1
14 2552 1 1 1 ACE H2 H -10.329 -9.541 2.815 1.00 . A A . 1 ACE H2 1 1
14 2553 1 1 1 ACE H3 H -11.769 -8.479 2.787 1.00 . A A . 1 ACE H3 1 1
14 2554 1 1 1 ACE O O -10.701 -8.608 -0.152 1.00 . A A . 1 ACE O 1 1
14 2555 1 1 2 ILE C C -7.813 -5.741 1.160 1.00 . A A . 2 ILE C 1 1
14 2556 1 1 2 ILE CA C -9.044 -6.356 0.431 1.00 . A A . 2 ILE CA 1 1
14 2557 1 1 2 ILE CB C -9.987 -5.308 -0.263 1.00 . A A . 2 ILE CB 1 1
14 2558 1 1 2 ILE CD1 C -8.896 -5.228 -2.635 1.00 . A A . 2 ILE CD1 1 1
14 2559 1 1 2 ILE CG1 C -9.312 -4.452 -1.375 1.00 . A A . 2 ILE CG1 1 1
14 2560 1 1 2 ILE CG2 C -10.749 -4.370 0.709 1.00 . A A . 2 ILE CG2 1 1
14 2561 1 1 2 ILE H H -9.582 -7.169 2.407 1.00 . A A . 2 ILE H 1 1
14 2562 1 1 2 ILE HA H -8.681 -7.011 -0.385 1.00 . A A . 2 ILE HA 1 1
14 2563 1 1 2 ILE HB H -10.755 -5.908 -0.781 1.00 . A A . 2 ILE HB 1 1
14 2564 1 1 2 ILE HD11 H -9.757 -5.752 -3.092 1.00 . A A . 2 ILE HD11 1 1
14 2565 1 1 2 ILE HD12 H -8.488 -4.546 -3.404 1.00 . A A . 2 ILE HD12 1 1
14 2566 1 1 2 ILE HD13 H -8.117 -5.982 -2.423 1.00 . A A . 2 ILE HD13 1 1
14 2567 1 1 2 ILE HG12 H -10.003 -3.653 -1.705 1.00 . A A . 2 ILE HG12 1 1
14 2568 1 1 2 ILE HG13 H -8.435 -3.916 -0.965 1.00 . A A . 2 ILE HG13 1 1
14 2569 1 1 2 ILE HG21 H -10.067 -3.681 1.242 1.00 . A A . 2 ILE HG21 1 1
14 2570 1 1 2 ILE HG22 H -11.493 -3.747 0.181 1.00 . A A . 2 ILE HG22 1 1
14 2571 1 1 2 ILE HG23 H -11.306 -4.938 1.477 1.00 . A A . 2 ILE HG23 1 1
14 2572 1 1 2 ILE N N -9.732 -7.257 1.397 1.00 . A A . 2 ILE N 1 1
14 2573 1 1 2 ILE O O -7.948 -4.995 2.137 1.00 . A A . 2 ILE O 1 1
14 2574 1 1 3 TRP C C -5.058 -4.049 0.924 1.00 . A A . 3 TRP C 1 1
14 2575 1 1 3 TRP CA C -5.327 -5.560 1.217 1.00 . A A . 3 TRP CA 1 1
14 2576 1 1 3 TRP CB C -4.153 -6.488 0.790 1.00 . A A . 3 TRP CB 1 1
14 2577 1 1 3 TRP CD1 C -4.261 -6.382 -1.853 1.00 . A A . 3 TRP CD1 1 1
14 2578 1 1 3 TRP CD2 C -2.222 -6.229 -0.978 1.00 . A A . 3 TRP CD2 1 1
14 2579 1 1 3 TRP CE2 C -2.139 -6.201 -2.393 1.00 . A A . 3 TRP CE2 1 1
14 2580 1 1 3 TRP CE3 C -1.040 -6.184 -0.190 1.00 . A A . 3 TRP CE3 1 1
14 2581 1 1 3 TRP CG C -3.557 -6.350 -0.628 1.00 . A A . 3 TRP CG 1 1
14 2582 1 1 3 TRP CH2 C 0.272 -6.124 -2.237 1.00 . A A . 3 TRP CH2 1 1
14 2583 1 1 3 TRP CZ2 C -0.877 -6.151 -3.030 1.00 . A A . 3 TRP CZ2 1 1
14 2584 1 1 3 TRP CZ3 C 0.192 -6.131 -0.840 1.00 . A A . 3 TRP CZ3 1 1
14 2585 1 1 3 TRP H H -6.651 -6.773 -0.074 1.00 . A A . 3 TRP H 1 1
14 2586 1 1 3 TRP HA H -5.418 -5.695 2.311 1.00 . A A . 3 TRP HA 1 1
14 2587 1 1 3 TRP HB2 H -3.341 -6.335 1.524 1.00 . A A . 3 TRP HB2 1 1
14 2588 1 1 3 TRP HB3 H -4.436 -7.547 0.947 1.00 . A A . 3 TRP HB3 1 1
14 2589 1 1 3 TRP HD1 H -5.331 -6.480 -1.941 1.00 . A A . 3 TRP HD1 1 1
14 2590 1 1 3 TRP HE1 H -3.642 -6.300 -3.956 1.00 . A A . 3 TRP HE1 1 1
14 2591 1 1 3 TRP HE3 H -1.083 -6.207 0.889 1.00 . A A . 3 TRP HE3 1 1
14 2592 1 1 3 TRP HH2 H 1.239 -6.116 -2.710 1.00 . A A . 3 TRP HH2 1 1
14 2593 1 1 3 TRP HZ2 H -0.798 -6.148 -4.107 1.00 . A A . 3 TRP HZ2 1 1
14 2594 1 1 3 TRP HZ3 H 1.102 -6.108 -0.258 1.00 . A A . 3 TRP HZ3 1 1
14 2595 1 1 3 TRP N N -6.610 -6.056 0.652 1.00 . A A . 3 TRP N 1 1
14 2596 1 1 3 TRP NE1 N -3.399 -6.281 -2.960 1.00 . A A . 3 TRP NE1 1 1
14 2597 1 1 3 TRP O O -5.410 -3.541 -0.144 1.00 . A A . 3 TRP O 1 1
14 2598 1 1 4 GLY C C -2.681 -1.563 1.219 1.00 . A A . 4 GLY C 1 1
14 2599 1 1 4 GLY CA C -4.090 -1.915 1.746 1.00 . A A . 4 GLY CA 1 1
14 2600 1 1 4 GLY H H -4.228 -3.890 2.735 1.00 . A A . 4 GLY H 1 1
14 2601 1 1 4 GLY HA2 H -4.845 -1.401 1.120 1.00 . A A . 4 GLY HA2 1 1
14 2602 1 1 4 GLY HA3 H -4.215 -1.448 2.740 1.00 . A A . 4 GLY HA3 1 1
14 2603 1 1 4 GLY N N -4.412 -3.359 1.877 1.00 . A A . 4 GLY N 1 1
14 2604 1 1 4 GLY O O -2.561 -0.928 0.169 1.00 . A A . 4 GLY O 1 1
14 2605 1 1 5 BCX C C 1.914 -2.475 0.407 1.00 . A A . 5 BCX C 1 1
14 2606 1 1 5 BCX CA C -0.223 -1.651 1.611 1.00 . A A . 5 BCX CA 1 1
14 2607 1 1 5 BCX CB C 0.469 -1.240 2.935 1.00 . A A . 5 BCX CB 1 1
14 2608 1 1 5 BCX CC C 0.482 -2.815 0.904 1.00 . A A . 5 BCX CC 1 1
14 2609 1 1 5 BCX H H -1.872 -2.432 2.835 1.00 . A A . 5 BCX H 1 1
14 2610 1 1 5 BCX HA H -0.142 -0.831 0.880 1.00 . A A . 5 BCX HA 1 1
14 2611 1 1 5 BCX HB2 H 0.537 -2.090 3.638 1.00 . A A . 5 BCX HB2 1 1
14 2612 1 1 5 BCX HB3 H 1.509 -0.909 2.755 1.00 . A A . 5 BCX HB3 1 1
14 2613 1 1 5 BCX HC1 H -0.122 -3.089 0.015 1.00 . A A . 5 BCX HC1 1 1
14 2614 1 1 5 BCX HC2 H 0.450 -3.713 1.552 1.00 . A A . 5 BCX HC2 1 1
14 2615 1 1 5 BCX N N -1.630 -1.952 1.963 1.00 . A A . 5 BCX N 1 1
14 2616 1 1 5 BCX O O 2.150 -1.451 -0.237 1.00 . A A . 5 BCX O 1 1
14 2617 1 1 5 BCX SG S -0.394 0.107 3.769 1.00 . A A . 5 BCX SG 1 1
14 2618 1 1 6 SER C C 3.628 -4.259 -1.634 1.00 . A A . 6 SER C 1 1
14 2619 1 1 6 SER CA C 4.009 -3.612 -0.273 1.00 . A A . 6 SER CA 1 1
14 2620 1 1 6 SER CB C 5.102 -4.383 0.506 1.00 . A A . 6 SER CB 1 1
14 2621 1 1 6 SER H H 2.316 -4.234 1.022 1.00 . A A . 6 SER H 1 1
14 2622 1 1 6 SER HA H 4.447 -2.609 -0.458 1.00 . A A . 6 SER HA 1 1
14 2623 1 1 6 SER HB2 H 5.313 -3.894 1.477 1.00 . A A . 6 SER HB2 1 1
14 2624 1 1 6 SER HB3 H 4.781 -5.414 0.744 1.00 . A A . 6 SER HB3 1 1
14 2625 1 1 6 SER HG H 6.936 -4.935 0.279 1.00 . A A . 6 SER HG 1 1
14 2626 1 1 6 SER N N 2.801 -3.451 0.589 1.00 . A A . 6 SER N 1 1
14 2627 1 1 6 SER O O 3.639 -5.484 -1.798 1.00 . A A . 6 SER O 1 1
14 2628 1 1 6 SER OG O 6.311 -4.427 -0.244 1.00 . A A . 6 SER OG 1 1
14 2629 1 1 7 GLY C C 1.690 -2.917 -4.459 1.00 . A A . 7 GLY C 1 1
14 2630 1 1 7 GLY CA C 2.849 -3.800 -3.949 1.00 . A A . 7 GLY CA 1 1
14 2631 1 1 7 GLY H H 3.168 -2.420 -2.264 1.00 . A A . 7 GLY H 1 1
14 2632 1 1 7 GLY HA2 H 3.707 -3.718 -4.643 1.00 . A A . 7 GLY HA2 1 1
14 2633 1 1 7 GLY HA3 H 2.541 -4.861 -3.994 1.00 . A A . 7 GLY HA3 1 1
14 2634 1 1 7 GLY N N 3.291 -3.388 -2.595 1.00 . A A . 7 GLY N 1 1
14 2635 1 1 7 GLY O O 1.757 -2.431 -5.591 1.00 . A A . 7 GLY O 1 1
14 2636 1 1 8 LYS C C -0.114 -0.359 -3.964 1.00 . A A . 8 LYS C 1 1
14 2637 1 1 8 LYS CA C -0.528 -1.867 -3.994 1.00 . A A . 8 LYS CA 1 1
14 2638 1 1 8 LYS CB C -1.726 -2.199 -3.049 1.00 . A A . 8 LYS CB 1 1
14 2639 1 1 8 LYS CD C -4.289 -2.059 -2.739 1.00 . A A . 8 LYS CD 1 1
14 2640 1 1 8 LYS CE C -5.616 -1.601 -3.370 1.00 . A A . 8 LYS CE 1 1
14 2641 1 1 8 LYS CG C -3.079 -1.724 -3.628 1.00 . A A . 8 LYS CG 1 1
14 2642 1 1 8 LYS H H 0.744 -3.091 -2.691 1.00 . A A . 8 LYS H 1 1
14 2643 1 1 8 LYS HA H -0.832 -2.120 -5.030 1.00 . A A . 8 LYS HA 1 1
14 2644 1 1 8 LYS HB2 H -1.783 -3.285 -2.847 1.00 . A A . 8 LYS HB2 1 1
14 2645 1 1 8 LYS HB3 H -1.561 -1.758 -2.042 1.00 . A A . 8 LYS HB3 1 1
14 2646 1 1 8 LYS HD2 H -4.319 -3.150 -2.551 1.00 . A A . 8 LYS HD2 1 1
14 2647 1 1 8 LYS HD3 H -4.160 -1.583 -1.749 1.00 . A A . 8 LYS HD3 1 1
14 2648 1 1 8 LYS HE2 H -5.581 -0.521 -3.609 1.00 . A A . 8 LYS HE2 1 1
14 2649 1 1 8 LYS HE3 H -5.786 -2.126 -4.330 1.00 . A A . 8 LYS HE3 1 1
14 2650 1 1 8 LYS HG2 H -3.043 -0.630 -3.797 1.00 . A A . 8 LYS HG2 1 1
14 2651 1 1 8 LYS HG3 H -3.226 -2.177 -4.627 1.00 . A A . 8 LYS HG3 1 1
14 2652 1 1 8 LYS HZ1 H -6.774 -2.843 -2.193 1.00 . A A . 8 LYS HZ1 1 1
14 2653 1 1 8 LYS HZ2 H -7.642 -1.676 -2.949 1.00 . A A . 8 LYS HZ2 1 1
14 2654 1 1 8 LYS N N 0.628 -2.727 -3.643 1.00 . A A . 8 LYS N 1 1
14 2655 1 1 8 LYS NZ N -6.753 -1.855 -2.469 1.00 . A A . 8 LYS NZ 1 1
14 2656 1 1 8 LYS O O -0.110 0.300 -5.008 1.00 . A A . 8 LYS O 1 1
14 2657 1 1 9 LEU C C 1.526 1.496 -1.272 1.00 . A A . 9 LEU C 1 1
14 2658 1 1 9 LEU CA C 0.669 1.556 -2.562 1.00 . A A . 9 LEU CA 1 1
14 2659 1 1 9 LEU CB C -0.614 2.421 -2.419 1.00 . A A . 9 LEU CB 1 1
14 2660 1 1 9 LEU CD1 C 0.170 4.544 -1.140 1.00 . A A . 9 LEU CD1 1 1
14 2661 1 1 9 LEU CD2 C 0.134 4.550 -3.677 1.00 . A A . 9 LEU CD2 1 1
14 2662 1 1 9 LEU CG C -0.508 3.973 -2.400 1.00 . A A . 9 LEU CG 1 1
14 2663 1 1 9 LEU H H 0.065 -0.440 -1.962 1.00 . A A . 9 LEU H 1 1
14 2664 1 1 9 LEU HA H 1.259 1.908 -3.432 1.00 . A A . 9 LEU HA 1 1
14 2665 1 1 9 LEU HB2 H -1.282 2.153 -3.259 1.00 . A A . 9 LEU HB2 1 1
14 2666 1 1 9 LEU HB3 H -1.162 2.071 -1.521 1.00 . A A . 9 LEU HB3 1 1
14 2667 1 1 9 LEU HD11 H 0.063 5.644 -1.084 1.00 . A A . 9 LEU HD11 1 1
14 2668 1 1 9 LEU HD12 H -0.272 4.132 -0.214 1.00 . A A . 9 LEU HD12 1 1
14 2669 1 1 9 LEU HD13 H 1.252 4.325 -1.112 1.00 . A A . 9 LEU HD13 1 1
14 2670 1 1 9 LEU HD21 H -0.374 4.184 -4.588 1.00 . A A . 9 LEU HD21 1 1
14 2671 1 1 9 LEU HD22 H 0.076 5.654 -3.699 1.00 . A A . 9 LEU HD22 1 1
14 2672 1 1 9 LEU HD23 H 1.203 4.280 -3.765 1.00 . A A . 9 LEU HD23 1 1
14 2673 1 1 9 LEU HG H -1.550 4.345 -2.380 1.00 . A A . 9 LEU HG 1 1
14 2674 1 1 9 LEU N N 0.248 0.157 -2.772 1.00 . A A . 9 LEU N 1 1
14 2675 1 1 9 LEU O O 0.980 1.288 -0.181 1.00 . A A . 9 LEU O 1 1
14 2676 1 1 10 ILE C C 3.394 2.664 0.909 1.00 . A A . 10 ILE C 1 1
14 2677 1 1 10 ILE CA C 3.782 1.632 -0.201 1.00 . A A . 10 ILE CA 1 1
14 2678 1 1 10 ILE CB C 5.300 1.711 -0.579 1.00 . A A . 10 ILE CB 1 1
14 2679 1 1 10 ILE CD1 C 7.163 3.463 -0.937 1.00 . A A . 10 ILE CD1 1 1
14 2680 1 1 10 ILE CG1 C 5.739 3.023 -1.298 1.00 . A A . 10 ILE CG1 1 1
14 2681 1 1 10 ILE CG2 C 5.783 0.462 -1.355 1.00 . A A . 10 ILE CG2 1 1
14 2682 1 1 10 ILE H H 3.213 1.753 -2.338 1.00 . A A . 10 ILE H 1 1
14 2683 1 1 10 ILE HA H 3.646 0.617 0.229 1.00 . A A . 10 ILE HA 1 1
14 2684 1 1 10 ILE HB H 5.836 1.668 0.390 1.00 . A A . 10 ILE HB 1 1
14 2685 1 1 10 ILE HD11 H 7.915 2.719 -1.251 1.00 . A A . 10 ILE HD11 1 1
14 2686 1 1 10 ILE HD12 H 7.413 4.428 -1.412 1.00 . A A . 10 ILE HD12 1 1
14 2687 1 1 10 ILE HD13 H 7.270 3.601 0.157 1.00 . A A . 10 ILE HD13 1 1
14 2688 1 1 10 ILE HG12 H 5.636 2.926 -2.395 1.00 . A A . 10 ILE HG12 1 1
14 2689 1 1 10 ILE HG13 H 5.068 3.859 -1.033 1.00 . A A . 10 ILE HG13 1 1
14 2690 1 1 10 ILE HG21 H 5.307 0.380 -2.350 1.00 . A A . 10 ILE HG21 1 1
14 2691 1 1 10 ILE HG22 H 6.876 0.476 -1.518 1.00 . A A . 10 ILE HG22 1 1
14 2692 1 1 10 ILE HG23 H 5.557 -0.471 -0.808 1.00 . A A . 10 ILE HG23 1 1
14 2693 1 1 10 ILE N N 2.860 1.683 -1.379 1.00 . A A . 10 ILE N 1 1
14 2694 1 1 10 ILE O O 3.213 3.856 0.639 1.00 . A A . 10 ILE O 1 1
14 2695 1 1 11 CYS C C 4.071 3.520 4.102 1.00 . A A . 11 CYS C 1 1
14 2696 1 1 11 CYS CA C 2.847 3.004 3.301 1.00 . A A . 11 CYS CA 1 1
14 2697 1 1 11 CYS CB C 1.847 2.196 4.147 1.00 . A A . 11 CYS CB 1 1
14 2698 1 1 11 CYS H H 3.600 1.214 2.268 1.00 . A A . 11 CYS H 1 1
14 2699 1 1 11 CYS HA H 2.256 3.859 2.918 1.00 . A A . 11 CYS HA 1 1
14 2700 1 1 11 CYS HB2 H 2.290 1.248 4.510 1.00 . A A . 11 CYS HB2 1 1
14 2701 1 1 11 CYS HB3 H 1.541 2.759 5.047 1.00 . A A . 11 CYS HB3 1 1
14 2702 1 1 11 CYS N N 3.256 2.170 2.150 1.00 . A A . 11 CYS N 1 1
14 2703 1 1 11 CYS O O 4.538 2.884 5.052 1.00 . A A . 11 CYS O 1 1
14 2704 1 1 11 CYS SG S 0.380 1.839 3.161 1.00 . A A . 11 CYS SG 1 1
14 2705 1 1 12 THR C C 5.468 5.937 5.760 1.00 . A A . 12 THR C 1 1
14 2706 1 1 12 THR CA C 5.748 5.358 4.338 1.00 . A A . 12 THR CA 1 1
14 2707 1 1 12 THR CB C 6.430 6.411 3.402 1.00 . A A . 12 THR CB 1 1
14 2708 1 1 12 THR CG2 C 7.026 5.833 2.107 1.00 . A A . 12 THR CG2 1 1
14 2709 1 1 12 THR H H 4.218 5.002 2.784 1.00 . A A . 12 THR H 1 1
14 2710 1 1 12 THR HA H 6.495 4.563 4.490 1.00 . A A . 12 THR HA 1 1
14 2711 1 1 12 THR HB H 7.271 6.868 3.958 1.00 . A A . 12 THR HB 1 1
14 2712 1 1 12 THR HG1 H 6.032 8.085 2.517 1.00 . A A . 12 THR HG1 1 1
14 2713 1 1 12 THR HG21 H 7.757 5.031 2.317 1.00 . A A . 12 THR HG21 1 1
14 2714 1 1 12 THR HG22 H 6.245 5.407 1.450 1.00 . A A . 12 THR HG22 1 1
14 2715 1 1 12 THR HG23 H 7.555 6.610 1.523 1.00 . A A . 12 THR HG23 1 1
14 2716 1 1 12 THR N N 4.574 4.699 3.694 1.00 . A A . 12 THR N 1 1
14 2717 1 1 12 THR O O 6.183 5.604 6.709 1.00 . A A . 12 THR O 1 1
14 2718 1 1 12 THR OG1 O 5.528 7.458 3.043 1.00 . A A . 12 THR OG1 1 1
14 2719 1 1 13 THR C C 2.768 6.777 7.785 1.00 . A A . 13 THR C 1 1
14 2720 1 1 13 THR CA C 4.038 7.444 7.162 1.00 . A A . 13 THR CA 1 1
14 2721 1 1 13 THR CB C 3.926 8.995 7.026 1.00 . A A . 13 THR CB 1 1
14 2722 1 1 13 THR CG2 C 5.273 9.709 6.816 1.00 . A A . 13 THR CG2 1 1
14 2723 1 1 13 THR H H 3.922 6.932 5.021 1.00 . A A . 13 THR H 1 1
14 2724 1 1 13 THR HA H 4.846 7.285 7.902 1.00 . A A . 13 THR HA 1 1
14 2725 1 1 13 THR HB H 3.503 9.387 7.969 1.00 . A A . 13 THR HB 1 1
14 2726 1 1 13 THR HG1 H 3.202 10.333 5.851 1.00 . A A . 13 THR HG1 1 1
14 2727 1 1 13 THR HG21 H 5.985 9.486 7.633 1.00 . A A . 13 THR HG21 1 1
14 2728 1 1 13 THR HG22 H 5.755 9.407 5.867 1.00 . A A . 13 THR HG22 1 1
14 2729 1 1 13 THR HG23 H 5.149 10.807 6.785 1.00 . A A . 13 THR HG23 1 1
14 2730 1 1 13 THR N N 4.442 6.796 5.886 1.00 . A A . 13 THR N 1 1
14 2731 1 1 13 THR O O 2.839 6.359 8.945 1.00 . A A . 13 THR O 1 1
14 2732 1 1 13 THR OG1 O 3.056 9.389 5.968 1.00 . A A . 13 THR OG1 1 1
14 2733 1 1 14 ALA C C 0.312 4.560 7.168 1.00 . A A . 14 ALA C 1 1
14 2734 1 1 14 ALA CA C 0.390 6.045 7.591 1.00 . A A . 14 ALA CA 1 1
14 2735 1 1 14 ALA CB C -0.813 6.883 7.115 1.00 . A A . 14 ALA CB 1 1
14 2736 1 1 14 ALA H H 1.689 6.947 6.075 1.00 . A A . 14 ALA H 1 1
14 2737 1 1 14 ALA HXT H 1.619 4.279 8.582 1.00 . A A . 14 ALA HXT 1 1
14 2738 1 1 14 ALA HA H 0.376 6.082 8.699 1.00 . A A . 14 ALA HA 1 1
14 2739 1 1 14 ALA HB1 H -1.766 6.477 7.503 1.00 . A A . 14 ALA HB1 1 1
14 2740 1 1 14 ALA HB2 H -0.749 7.930 7.466 1.00 . A A . 14 ALA HB2 1 1
14 2741 1 1 14 ALA HB3 H -0.897 6.909 6.011 1.00 . A A . 14 ALA HB3 1 1
14 2742 1 1 14 ALA N N 1.628 6.665 7.060 1.00 . A A . 14 ALA N 1 1
14 2743 1 1 14 ALA O O -0.389 4.135 6.248 1.00 . A A . 14 ALA O 1 1
14 2744 1 1 14 ALA OXT O 1.123 3.765 7.938 1.00 . A A . 14 ALA OXT 1 1
15 2745 1 1 1 ACE C C -3.667 -9.163 -0.890 1.00 . A A . 1 ACE C 1 1
15 2746 1 1 1 ACE CH3 C -3.720 -10.216 -1.992 1.00 . A A . 1 ACE CH3 1 1
15 2747 1 1 1 ACE H1 H -2.804 -10.834 -2.010 1.00 . A A . 1 ACE H1 1 1
15 2748 1 1 1 ACE H2 H -4.575 -10.901 -1.846 1.00 . A A . 1 ACE H2 1 1
15 2749 1 1 1 ACE H3 H -3.841 -9.751 -2.988 1.00 . A A . 1 ACE H3 1 1
15 2750 1 1 1 ACE O O -4.538 -9.124 -0.018 1.00 . A A . 1 ACE O 1 1
15 2751 1 1 2 ILE C C -3.085 -5.878 -0.466 1.00 . A A . 2 ILE C 1 1
15 2752 1 1 2 ILE CA C -2.419 -7.204 0.023 1.00 . A A . 2 ILE CA 1 1
15 2753 1 1 2 ILE CB C -0.903 -7.054 0.430 1.00 . A A . 2 ILE CB 1 1
15 2754 1 1 2 ILE CD1 C 0.170 -6.192 -1.824 1.00 . A A . 2 ILE CD1 1 1
15 2755 1 1 2 ILE CG1 C 0.203 -7.197 -0.666 1.00 . A A . 2 ILE CG1 1 1
15 2756 1 1 2 ILE CG2 C -0.549 -8.016 1.591 1.00 . A A . 2 ILE CG2 1 1
15 2757 1 1 2 ILE H H -2.014 -8.452 -1.761 1.00 . A A . 2 ILE H 1 1
15 2758 1 1 2 ILE HA H -2.952 -7.458 0.964 1.00 . A A . 2 ILE HA 1 1
15 2759 1 1 2 ILE HB H -0.798 -6.038 0.851 1.00 . A A . 2 ILE HB 1 1
15 2760 1 1 2 ILE HD11 H 0.228 -5.148 -1.463 1.00 . A A . 2 ILE HD11 1 1
15 2761 1 1 2 ILE HD12 H 1.023 -6.351 -2.507 1.00 . A A . 2 ILE HD12 1 1
15 2762 1 1 2 ILE HD13 H -0.749 -6.291 -2.431 1.00 . A A . 2 ILE HD13 1 1
15 2763 1 1 2 ILE HG12 H 1.199 -7.104 -0.192 1.00 . A A . 2 ILE HG12 1 1
15 2764 1 1 2 ILE HG13 H 0.187 -8.221 -1.085 1.00 . A A . 2 ILE HG13 1 1
15 2765 1 1 2 ILE HG21 H -0.625 -9.077 1.287 1.00 . A A . 2 ILE HG21 1 1
15 2766 1 1 2 ILE HG22 H 0.479 -7.855 1.966 1.00 . A A . 2 ILE HG22 1 1
15 2767 1 1 2 ILE HG23 H -1.219 -7.877 2.459 1.00 . A A . 2 ILE HG23 1 1
15 2768 1 1 2 ILE N N -2.641 -8.305 -0.964 1.00 . A A . 2 ILE N 1 1
15 2769 1 1 2 ILE O O -2.424 -4.963 -0.962 1.00 . A A . 2 ILE O 1 1
15 2770 1 1 3 TRP C C -5.145 -3.486 0.418 1.00 . A A . 3 TRP C 1 1
15 2771 1 1 3 TRP CA C -5.202 -4.576 -0.690 1.00 . A A . 3 TRP CA 1 1
15 2772 1 1 3 TRP CB C -6.643 -5.008 -1.082 1.00 . A A . 3 TRP CB 1 1
15 2773 1 1 3 TRP CD1 C -5.992 -6.735 -2.986 1.00 . A A . 3 TRP CD1 1 1
15 2774 1 1 3 TRP CD2 C -7.695 -5.385 -3.469 1.00 . A A . 3 TRP CD2 1 1
15 2775 1 1 3 TRP CE2 C -7.437 -6.246 -4.567 1.00 . A A . 3 TRP CE2 1 1
15 2776 1 1 3 TRP CE3 C -8.729 -4.414 -3.548 1.00 . A A . 3 TRP CE3 1 1
15 2777 1 1 3 TRP CG C -6.786 -5.683 -2.464 1.00 . A A . 3 TRP CG 1 1
15 2778 1 1 3 TRP CH2 C -9.221 -5.182 -5.806 1.00 . A A . 3 TRP CH2 1 1
15 2779 1 1 3 TRP CZ2 C -8.208 -6.141 -5.749 1.00 . A A . 3 TRP CZ2 1 1
15 2780 1 1 3 TRP CZ3 C -9.477 -4.331 -4.723 1.00 . A A . 3 TRP CZ3 1 1
15 2781 1 1 3 TRP H H -4.873 -6.631 0.003 1.00 . A A . 3 TRP H 1 1
15 2782 1 1 3 TRP HA H -4.751 -4.180 -1.618 1.00 . A A . 3 TRP HA 1 1
15 2783 1 1 3 TRP HB2 H -7.080 -5.664 -0.305 1.00 . A A . 3 TRP HB2 1 1
15 2784 1 1 3 TRP HB3 H -7.289 -4.111 -1.069 1.00 . A A . 3 TRP HB3 1 1
15 2785 1 1 3 TRP HD1 H -5.154 -7.183 -2.467 1.00 . A A . 3 TRP HD1 1 1
15 2786 1 1 3 TRP HE1 H -5.967 -7.809 -4.898 1.00 . A A . 3 TRP HE1 1 1
15 2787 1 1 3 TRP HE3 H -8.936 -3.746 -2.724 1.00 . A A . 3 TRP HE3 1 1
15 2788 1 1 3 TRP HH2 H -9.816 -5.091 -6.703 1.00 . A A . 3 TRP HH2 1 1
15 2789 1 1 3 TRP HZ2 H -8.018 -6.787 -6.594 1.00 . A A . 3 TRP HZ2 1 1
15 2790 1 1 3 TRP HZ3 H -10.266 -3.598 -4.799 1.00 . A A . 3 TRP HZ3 1 1
15 2791 1 1 3 TRP N N -4.412 -5.762 -0.268 1.00 . A A . 3 TRP N 1 1
15 2792 1 1 3 TRP NE1 N -6.380 -7.095 -4.287 1.00 . A A . 3 TRP NE1 1 1
15 2793 1 1 3 TRP O O -5.902 -3.502 1.392 1.00 . A A . 3 TRP O 1 1
15 2794 1 1 4 GLY C C -2.492 -0.985 0.978 1.00 . A A . 4 GLY C 1 1
15 2795 1 1 4 GLY CA C -3.954 -1.433 1.160 1.00 . A A . 4 GLY CA 1 1
15 2796 1 1 4 GLY H H -3.629 -2.696 -0.609 1.00 . A A . 4 GLY H 1 1
15 2797 1 1 4 GLY HA2 H -4.638 -0.593 0.937 1.00 . A A . 4 GLY HA2 1 1
15 2798 1 1 4 GLY HA3 H -4.148 -1.722 2.212 1.00 . A A . 4 GLY HA3 1 1
15 2799 1 1 4 GLY N N -4.209 -2.548 0.224 1.00 . A A . 4 GLY N 1 1
15 2800 1 1 4 GLY O O -2.232 0.000 0.280 1.00 . A A . 4 GLY O 1 1
15 2801 1 1 5 BCX C C 2.032 -2.317 0.347 1.00 . A A . 5 BCX C 1 1
15 2802 1 1 5 BCX CA C -0.107 -1.446 1.506 1.00 . A A . 5 BCX CA 1 1
15 2803 1 1 5 BCX CB C 0.463 -1.127 2.905 1.00 . A A . 5 BCX CB 1 1
15 2804 1 1 5 BCX CC C 0.595 -2.628 0.822 1.00 . A A . 5 BCX CC 1 1
15 2805 1 1 5 BCX H H -1.924 -2.520 2.138 1.00 . A A . 5 BCX H 1 1
15 2806 1 1 5 BCX HA H 0.101 -0.600 0.838 1.00 . A A . 5 BCX HA 1 1
15 2807 1 1 5 BCX HB2 H 0.440 -2.000 3.579 1.00 . A A . 5 BCX HB2 1 1
15 2808 1 1 5 BCX HB3 H 1.521 -0.810 2.832 1.00 . A A . 5 BCX HB3 1 1
15 2809 1 1 5 BCX HC1 H 0.021 -2.904 -0.088 1.00 . A A . 5 BCX HC1 1 1
15 2810 1 1 5 BCX HC2 H 0.534 -3.525 1.469 1.00 . A A . 5 BCX HC2 1 1
15 2811 1 1 5 BCX N N -1.558 -1.727 1.601 1.00 . A A . 5 BCX N 1 1
15 2812 1 1 5 BCX O O 2.282 -1.324 -0.336 1.00 . A A . 5 BCX O 1 1
15 2813 1 1 5 BCX SG S -0.425 0.208 3.712 1.00 . A A . 5 BCX SG 1 1
15 2814 1 1 6 SER C C 3.658 -4.216 -1.605 1.00 . A A . 6 SER C 1 1
15 2815 1 1 6 SER CA C 4.108 -3.495 -0.298 1.00 . A A . 6 SER CA 1 1
15 2816 1 1 6 SER CB C 5.204 -4.230 0.507 1.00 . A A . 6 SER CB 1 1
15 2817 1 1 6 SER H H 2.435 -4.051 1.047 1.00 . A A . 6 SER H 1 1
15 2818 1 1 6 SER HA H 4.548 -2.508 -0.556 1.00 . A A . 6 SER HA 1 1
15 2819 1 1 6 SER HB2 H 5.457 -3.666 1.427 1.00 . A A . 6 SER HB2 1 1
15 2820 1 1 6 SER HB3 H 4.859 -5.225 0.846 1.00 . A A . 6 SER HB3 1 1
15 2821 1 1 6 SER HG H 6.699 -3.498 -0.473 1.00 . A A . 6 SER HG 1 1
15 2822 1 1 6 SER N N 2.917 -3.286 0.574 1.00 . A A . 6 SER N 1 1
15 2823 1 1 6 SER O O 3.650 -5.448 -1.700 1.00 . A A . 6 SER O 1 1
15 2824 1 1 6 SER OG O 6.388 -4.384 -0.269 1.00 . A A . 6 SER OG 1 1
15 2825 1 1 7 GLY C C 1.591 -2.971 -4.393 1.00 . A A . 7 GLY C 1 1
15 2826 1 1 7 GLY CA C 2.742 -3.875 -3.893 1.00 . A A . 7 GLY CA 1 1
15 2827 1 1 7 GLY H H 3.197 -2.403 -2.323 1.00 . A A . 7 GLY H 1 1
15 2828 1 1 7 GLY HA2 H 3.561 -3.882 -4.637 1.00 . A A . 7 GLY HA2 1 1
15 2829 1 1 7 GLY HA3 H 2.378 -4.919 -3.839 1.00 . A A . 7 GLY HA3 1 1
15 2830 1 1 7 GLY N N 3.271 -3.395 -2.594 1.00 . A A . 7 GLY N 1 1
15 2831 1 1 7 GLY O O 1.622 -2.525 -5.543 1.00 . A A . 7 GLY O 1 1
15 2832 1 1 8 LYS C C -0.146 -0.341 -3.882 1.00 . A A . 8 LYS C 1 1
15 2833 1 1 8 LYS CA C -0.581 -1.843 -3.859 1.00 . A A . 8 LYS CA 1 1
15 2834 1 1 8 LYS CB C -1.720 -2.147 -2.835 1.00 . A A . 8 LYS CB 1 1
15 2835 1 1 8 LYS CD C -3.803 -2.589 -4.311 1.00 . A A . 8 LYS CD 1 1
15 2836 1 1 8 LYS CE C -5.257 -2.181 -4.607 1.00 . A A . 8 LYS CE 1 1
15 2837 1 1 8 LYS CG C -3.134 -1.684 -3.255 1.00 . A A . 8 LYS CG 1 1
15 2838 1 1 8 LYS H H 0.727 -3.054 -2.581 1.00 . A A . 8 LYS H 1 1
15 2839 1 1 8 LYS HA H -0.942 -2.113 -4.871 1.00 . A A . 8 LYS HA 1 1
15 2840 1 1 8 LYS HB2 H -1.764 -3.227 -2.604 1.00 . A A . 8 LYS HB2 1 1
15 2841 1 1 8 LYS HB3 H -1.475 -1.692 -1.853 1.00 . A A . 8 LYS HB3 1 1
15 2842 1 1 8 LYS HD2 H -3.210 -2.565 -5.246 1.00 . A A . 8 LYS HD2 1 1
15 2843 1 1 8 LYS HD3 H -3.779 -3.641 -3.965 1.00 . A A . 8 LYS HD3 1 1
15 2844 1 1 8 LYS HE2 H -5.873 -2.256 -3.691 1.00 . A A . 8 LYS HE2 1 1
15 2845 1 1 8 LYS HE3 H -5.304 -1.125 -4.931 1.00 . A A . 8 LYS HE3 1 1
15 2846 1 1 8 LYS HG2 H -3.774 -1.658 -2.355 1.00 . A A . 8 LYS HG2 1 1
15 2847 1 1 8 LYS HG3 H -3.101 -0.636 -3.610 1.00 . A A . 8 LYS HG3 1 1
15 2848 1 1 8 LYS HZ1 H -5.850 -4.016 -5.352 1.00 . A A . 8 LYS HZ1 1 1
15 2849 1 1 8 LYS HZ2 H -6.824 -2.789 -5.813 1.00 . A A . 8 LYS HZ2 1 1
15 2850 1 1 8 LYS N N 0.574 -2.720 -3.538 1.00 . A A . 8 LYS N 1 1
15 2851 1 1 8 LYS NZ N -5.840 -3.037 -5.656 1.00 . A A . 8 LYS NZ 1 1
15 2852 1 1 8 LYS O O -0.189 0.297 -4.937 1.00 . A A . 8 LYS O 1 1
15 2853 1 1 9 LEU C C 1.644 1.551 -1.299 1.00 . A A . 9 LEU C 1 1
15 2854 1 1 9 LEU CA C 0.739 1.592 -2.560 1.00 . A A . 9 LEU CA 1 1
15 2855 1 1 9 LEU CB C -0.517 2.482 -2.376 1.00 . A A . 9 LEU CB 1 1
15 2856 1 1 9 LEU CD1 C 0.316 4.676 -3.451 1.00 . A A . 9 LEU CD1 1 1
15 2857 1 1 9 LEU CD2 C -1.604 4.707 -1.813 1.00 . A A . 9 LEU CD2 1 1
15 2858 1 1 9 LEU CG C -0.287 4.008 -2.198 1.00 . A A . 9 LEU CG 1 1
15 2859 1 1 9 LEU H H 0.147 -0.380 -1.890 1.00 . A A . 9 LEU H 1 1
15 2860 1 1 9 LEU HA H 1.293 1.917 -3.463 1.00 . A A . 9 LEU HA 1 1
15 2861 1 1 9 LEU HB2 H -1.183 2.306 -3.241 1.00 . A A . 9 LEU HB2 1 1
15 2862 1 1 9 LEU HB3 H -1.072 2.082 -1.503 1.00 . A A . 9 LEU HB3 1 1
15 2863 1 1 9 LEU HD11 H 0.461 5.762 -3.305 1.00 . A A . 9 LEU HD11 1 1
15 2864 1 1 9 LEU HD12 H 1.307 4.258 -3.702 1.00 . A A . 9 LEU HD12 1 1
15 2865 1 1 9 LEU HD13 H -0.330 4.548 -4.340 1.00 . A A . 9 LEU HD13 1 1
15 2866 1 1 9 LEU HD21 H -2.031 4.287 -0.883 1.00 . A A . 9 LEU HD21 1 1
15 2867 1 1 9 LEU HD22 H -1.457 5.788 -1.633 1.00 . A A . 9 LEU HD22 1 1
15 2868 1 1 9 LEU HD23 H -2.375 4.608 -2.601 1.00 . A A . 9 LEU HD23 1 1
15 2869 1 1 9 LEU HG H 0.420 4.160 -1.359 1.00 . A A . 9 LEU HG 1 1
15 2870 1 1 9 LEU N N 0.288 0.196 -2.723 1.00 . A A . 9 LEU N 1 1
15 2871 1 1 9 LEU O O 1.128 1.386 -0.187 1.00 . A A . 9 LEU O 1 1
15 2872 1 1 10 ILE C C 3.605 2.690 0.805 1.00 . A A . 10 ILE C 1 1
15 2873 1 1 10 ILE CA C 3.957 1.653 -0.318 1.00 . A A . 10 ILE CA 1 1
15 2874 1 1 10 ILE CB C 5.451 1.678 -0.822 1.00 . A A . 10 ILE CB 1 1
15 2875 1 1 10 ILE CD1 C 6.494 -0.044 0.847 1.00 . A A . 10 ILE CD1 1 1
15 2876 1 1 10 ILE CG1 C 6.510 1.387 0.280 1.00 . A A . 10 ILE CG1 1 1
15 2877 1 1 10 ILE CG2 C 5.849 2.972 -1.577 1.00 . A A . 10 ILE CG2 1 1
15 2878 1 1 10 ILE H H 3.256 1.864 -2.429 1.00 . A A . 10 ILE H 1 1
15 2879 1 1 10 ILE HA H 3.834 0.639 0.112 1.00 . A A . 10 ILE HA 1 1
15 2880 1 1 10 ILE HB H 5.577 0.852 -1.550 1.00 . A A . 10 ILE HB 1 1
15 2881 1 1 10 ILE HD11 H 6.623 -0.802 0.051 1.00 . A A . 10 ILE HD11 1 1
15 2882 1 1 10 ILE HD12 H 7.318 -0.195 1.569 1.00 . A A . 10 ILE HD12 1 1
15 2883 1 1 10 ILE HD13 H 5.553 -0.275 1.377 1.00 . A A . 10 ILE HD13 1 1
15 2884 1 1 10 ILE HG12 H 7.526 1.558 -0.124 1.00 . A A . 10 ILE HG12 1 1
15 2885 1 1 10 ILE HG13 H 6.408 2.117 1.104 1.00 . A A . 10 ILE HG13 1 1
15 2886 1 1 10 ILE HG21 H 5.159 3.192 -2.412 1.00 . A A . 10 ILE HG21 1 1
15 2887 1 1 10 ILE HG22 H 5.852 3.859 -0.916 1.00 . A A . 10 ILE HG22 1 1
15 2888 1 1 10 ILE HG23 H 6.859 2.895 -2.020 1.00 . A A . 10 ILE HG23 1 1
15 2889 1 1 10 ILE N N 2.977 1.701 -1.458 1.00 . A A . 10 ILE N 1 1
15 2890 1 1 10 ILE O O 3.725 3.902 0.597 1.00 . A A . 10 ILE O 1 1
15 2891 1 1 11 CYS C C 3.707 3.043 4.315 1.00 . A A . 11 CYS C 1 1
15 2892 1 1 11 CYS CA C 2.715 3.034 3.112 1.00 . A A . 11 CYS CA 1 1
15 2893 1 1 11 CYS CB C 1.227 2.797 3.465 1.00 . A A . 11 CYS CB 1 1
15 2894 1 1 11 CYS H H 3.252 1.173 2.045 1.00 . A A . 11 CYS H 1 1
15 2895 1 1 11 CYS HA H 2.656 4.059 2.745 1.00 . A A . 11 CYS HA 1 1
15 2896 1 1 11 CYS HB2 H 0.825 3.688 3.983 1.00 . A A . 11 CYS HB2 1 1
15 2897 1 1 11 CYS HB3 H 0.607 2.690 2.554 1.00 . A A . 11 CYS HB3 1 1
15 2898 1 1 11 CYS N N 3.139 2.184 1.968 1.00 . A A . 11 CYS N 1 1
15 2899 1 1 11 CYS O O 3.373 2.617 5.425 1.00 . A A . 11 CYS O 1 1
15 2900 1 1 11 CYS SG S 0.937 1.393 4.551 1.00 . A A . 11 CYS SG 1 1
15 2901 1 1 12 THR C C 5.829 5.018 5.896 1.00 . A A . 12 THR C 1 1
15 2902 1 1 12 THR CA C 5.981 3.665 5.141 1.00 . A A . 12 THR CA 1 1
15 2903 1 1 12 THR CB C 7.419 3.493 4.570 1.00 . A A . 12 THR CB 1 1
15 2904 1 1 12 THR CG2 C 7.741 2.079 4.059 1.00 . A A . 12 THR CG2 1 1
15 2905 1 1 12 THR H H 5.151 3.760 3.117 1.00 . A A . 12 THR H 1 1
15 2906 1 1 12 THR HA H 5.837 2.827 5.843 1.00 . A A . 12 THR HA 1 1
15 2907 1 1 12 THR HB H 8.141 3.702 5.384 1.00 . A A . 12 THR HB 1 1
15 2908 1 1 12 THR HG1 H 7.310 5.268 3.861 1.00 . A A . 12 THR HG1 1 1
15 2909 1 1 12 THR HG21 H 7.047 1.763 3.261 1.00 . A A . 12 THR HG21 1 1
15 2910 1 1 12 THR HG22 H 8.765 2.022 3.647 1.00 . A A . 12 THR HG22 1 1
15 2911 1 1 12 THR HG23 H 7.672 1.330 4.867 1.00 . A A . 12 THR HG23 1 1
15 2912 1 1 12 THR N N 4.928 3.572 4.095 1.00 . A A . 12 THR N 1 1
15 2913 1 1 12 THR O O 6.213 6.076 5.385 1.00 . A A . 12 THR O 1 1
15 2914 1 1 12 THR OG1 O 7.661 4.434 3.528 1.00 . A A . 12 THR OG1 1 1
15 2915 1 1 13 THR C C 5.346 5.746 9.423 1.00 . A A . 13 THR C 1 1
15 2916 1 1 13 THR CA C 5.018 6.155 7.959 1.00 . A A . 13 THR CA 1 1
15 2917 1 1 13 THR CB C 3.568 6.708 7.807 1.00 . A A . 13 THR CB 1 1
15 2918 1 1 13 THR CG2 C 3.326 7.515 6.521 1.00 . A A . 13 THR CG2 1 1
15 2919 1 1 13 THR H H 4.942 4.039 7.416 1.00 . A A . 13 THR H 1 1
15 2920 1 1 13 THR HA H 5.706 6.977 7.667 1.00 . A A . 13 THR HA 1 1
15 2921 1 1 13 THR HB H 3.382 7.384 8.658 1.00 . A A . 13 THR HB 1 1
15 2922 1 1 13 THR HG1 H 2.823 5.079 7.126 1.00 . A A . 13 THR HG1 1 1
15 2923 1 1 13 THR HG21 H 3.451 6.895 5.614 1.00 . A A . 13 THR HG21 1 1
15 2924 1 1 13 THR HG22 H 2.301 7.929 6.494 1.00 . A A . 13 THR HG22 1 1
15 2925 1 1 13 THR HG23 H 4.024 8.368 6.436 1.00 . A A . 13 THR HG23 1 1
15 2926 1 1 13 THR N N 5.254 4.962 7.108 1.00 . A A . 13 THR N 1 1
15 2927 1 1 13 THR O O 4.551 5.079 10.096 1.00 . A A . 13 THR O 1 1
15 2928 1 1 13 THR OG1 O 2.600 5.664 7.856 1.00 . A A . 13 THR OG1 1 1
15 2929 1 1 14 ALA C C 7.780 7.077 11.809 1.00 . A A . 14 ALA C 1 1
15 2930 1 1 14 ALA CA C 7.019 5.851 11.264 1.00 . A A . 14 ALA CA 1 1
15 2931 1 1 14 ALA CB C 7.904 4.588 11.253 1.00 . A A . 14 ALA CB 1 1
15 2932 1 1 14 ALA H H 7.108 6.650 9.202 1.00 . A A . 14 ALA H 1 1
15 2933 1 1 14 ALA HXT H 7.596 8.449 13.163 1.00 . A A . 14 ALA HXT 1 1
15 2934 1 1 14 ALA HA H 6.163 5.651 11.938 1.00 . A A . 14 ALA HA 1 1
15 2935 1 1 14 ALA HB1 H 8.793 4.702 10.604 1.00 . A A . 14 ALA HB1 1 1
15 2936 1 1 14 ALA HB2 H 8.269 4.339 12.266 1.00 . A A . 14 ALA HB2 1 1
15 2937 1 1 14 ALA HB3 H 7.346 3.705 10.890 1.00 . A A . 14 ALA HB3 1 1
15 2938 1 1 14 ALA N N 6.539 6.150 9.894 1.00 . A A . 14 ALA N 1 1
15 2939 1 1 14 ALA O O 8.862 7.471 11.371 1.00 . A A . 14 ALA O 1 1
15 2940 1 1 14 ALA OXT O 7.111 7.687 12.839 1.00 . A A . 14 ALA OXT 1 1
16 2941 1 1 1 ACE C C 0.248 -6.436 -1.597 1.00 . A A . 1 ACE C 1 1
16 2942 1 1 1 ACE CH3 C 1.242 -7.294 -0.822 1.00 . A A . 1 ACE CH3 1 1
16 2943 1 1 1 ACE H1 H 0.735 -8.085 -0.238 1.00 . A A . 1 ACE H1 1 1
16 2944 1 1 1 ACE H2 H 1.967 -7.779 -1.502 1.00 . A A . 1 ACE H2 1 1
16 2945 1 1 1 ACE H3 H 1.822 -6.681 -0.109 1.00 . A A . 1 ACE H3 1 1
16 2946 1 1 1 ACE O O 0.246 -5.210 -1.465 1.00 . A A . 1 ACE O 1 1
16 2947 1 1 2 ILE C C -3.024 -6.389 -2.495 1.00 . A A . 2 ILE C 1 1
16 2948 1 1 2 ILE CA C -1.640 -6.435 -3.230 1.00 . A A . 2 ILE CA 1 1
16 2949 1 1 2 ILE CB C -1.681 -7.009 -4.699 1.00 . A A . 2 ILE CB 1 1
16 2950 1 1 2 ILE CD1 C -2.648 -9.428 -4.277 1.00 . A A . 2 ILE CD1 1 1
16 2951 1 1 2 ILE CG1 C -1.561 -8.552 -4.915 1.00 . A A . 2 ILE CG1 1 1
16 2952 1 1 2 ILE CG2 C -0.614 -6.318 -5.586 1.00 . A A . 2 ILE CG2 1 1
16 2953 1 1 2 ILE H H -0.462 -8.121 -2.403 1.00 . A A . 2 ILE H 1 1
16 2954 1 1 2 ILE HA H -1.364 -5.367 -3.352 1.00 . A A . 2 ILE HA 1 1
16 2955 1 1 2 ILE HB H -2.653 -6.703 -5.130 1.00 . A A . 2 ILE HB 1 1
16 2956 1 1 2 ILE HD11 H -3.659 -9.135 -4.616 1.00 . A A . 2 ILE HD11 1 1
16 2957 1 1 2 ILE HD12 H -2.509 -10.492 -4.542 1.00 . A A . 2 ILE HD12 1 1
16 2958 1 1 2 ILE HD13 H -2.631 -9.366 -3.174 1.00 . A A . 2 ILE HD13 1 1
16 2959 1 1 2 ILE HG12 H -1.569 -8.770 -6.001 1.00 . A A . 2 ILE HG12 1 1
16 2960 1 1 2 ILE HG13 H -0.573 -8.906 -4.566 1.00 . A A . 2 ILE HG13 1 1
16 2961 1 1 2 ILE HG21 H -0.689 -6.628 -6.646 1.00 . A A . 2 ILE HG21 1 1
16 2962 1 1 2 ILE HG22 H -0.723 -5.217 -5.577 1.00 . A A . 2 ILE HG22 1 1
16 2963 1 1 2 ILE HG23 H 0.415 -6.545 -5.249 1.00 . A A . 2 ILE HG23 1 1
16 2964 1 1 2 ILE N N -0.595 -7.105 -2.394 1.00 . A A . 2 ILE N 1 1
16 2965 1 1 2 ILE O O -3.969 -7.113 -2.819 1.00 . A A . 2 ILE O 1 1
16 2966 1 1 3 TRP C C -4.370 -3.761 -0.337 1.00 . A A . 3 TRP C 1 1
16 2967 1 1 3 TRP CA C -4.338 -5.275 -0.677 1.00 . A A . 3 TRP CA 1 1
16 2968 1 1 3 TRP CB C -4.479 -6.346 0.454 1.00 . A A . 3 TRP CB 1 1
16 2969 1 1 3 TRP CD1 C -2.112 -7.224 1.179 1.00 . A A . 3 TRP CD1 1 1
16 2970 1 1 3 TRP CD2 C -3.198 -6.096 2.761 1.00 . A A . 3 TRP CD2 1 1
16 2971 1 1 3 TRP CE2 C -1.920 -6.484 3.240 1.00 . A A . 3 TRP CE2 1 1
16 2972 1 1 3 TRP CE3 C -4.084 -5.364 3.594 1.00 . A A . 3 TRP CE3 1 1
16 2973 1 1 3 TRP CG C -3.317 -6.540 1.452 1.00 . A A . 3 TRP CG 1 1
16 2974 1 1 3 TRP CH2 C -2.397 -5.402 5.351 1.00 . A A . 3 TRP CH2 1 1
16 2975 1 1 3 TRP CZ2 C -1.515 -6.130 4.549 1.00 . A A . 3 TRP CZ2 1 1
16 2976 1 1 3 TRP CZ3 C -3.662 -5.026 4.880 1.00 . A A . 3 TRP CZ3 1 1
16 2977 1 1 3 TRP H H -2.272 -4.993 -1.275 1.00 . A A . 3 TRP H 1 1
16 2978 1 1 3 TRP HA H -5.206 -5.390 -1.329 1.00 . A A . 3 TRP HA 1 1
16 2979 1 1 3 TRP HB2 H -5.408 -6.135 1.010 1.00 . A A . 3 TRP HB2 1 1
16 2980 1 1 3 TRP HB3 H -4.663 -7.320 -0.035 1.00 . A A . 3 TRP HB3 1 1
16 2981 1 1 3 TRP HD1 H -1.886 -7.701 0.237 1.00 . A A . 3 TRP HD1 1 1
16 2982 1 1 3 TRP HE1 H -0.288 -7.597 2.339 1.00 . A A . 3 TRP HE1 1 1
16 2983 1 1 3 TRP HE3 H -5.061 -5.063 3.244 1.00 . A A . 3 TRP HE3 1 1
16 2984 1 1 3 TRP HH2 H -2.100 -5.126 6.351 1.00 . A A . 3 TRP HH2 1 1
16 2985 1 1 3 TRP HZ2 H -0.542 -6.414 4.924 1.00 . A A . 3 TRP HZ2 1 1
16 2986 1 1 3 TRP HZ3 H -4.322 -4.465 5.525 1.00 . A A . 3 TRP HZ3 1 1
16 2987 1 1 3 TRP N N -3.129 -5.487 -1.504 1.00 . A A . 3 TRP N 1 1
16 2988 1 1 3 TRP NE1 N -1.227 -7.189 2.271 1.00 . A A . 3 TRP NE1 1 1
16 2989 1 1 3 TRP O O -4.773 -2.959 -1.184 1.00 . A A . 3 TRP O 1 1
16 2990 1 1 4 GLY C C -2.506 -1.351 0.935 1.00 . A A . 4 GLY C 1 1
16 2991 1 1 4 GLY CA C -3.888 -1.953 1.294 1.00 . A A . 4 GLY CA 1 1
16 2992 1 1 4 GLY H H -3.860 -4.156 1.531 1.00 . A A . 4 GLY H 1 1
16 2993 1 1 4 GLY HA2 H -4.698 -1.360 0.829 1.00 . A A . 4 GLY HA2 1 1
16 2994 1 1 4 GLY HA3 H -4.062 -1.892 2.383 1.00 . A A . 4 GLY HA3 1 1
16 2995 1 1 4 GLY N N -3.963 -3.372 0.874 1.00 . A A . 4 GLY N 1 1
16 2996 1 1 4 GLY O O -2.426 -0.430 0.119 1.00 . A A . 4 GLY O 1 1
16 2997 1 1 5 BCX C C 2.074 -2.326 0.126 1.00 . A A . 5 BCX C 1 1
16 2998 1 1 5 BCX CA C -0.044 -1.468 1.310 1.00 . A A . 5 BCX CA 1 1
16 2999 1 1 5 BCX CB C 0.611 -0.888 2.584 1.00 . A A . 5 BCX CB 1 1
16 3000 1 1 5 BCX CC C 0.702 -2.678 0.738 1.00 . A A . 5 BCX CC 1 1
16 3001 1 1 5 BCX H H -1.658 -2.718 2.115 1.00 . A A . 5 BCX H 1 1
16 3002 1 1 5 BCX HA H 0.022 -0.732 0.498 1.00 . A A . 5 BCX HA 1 1
16 3003 1 1 5 BCX HB2 H 0.301 -1.426 3.500 1.00 . A A . 5 BCX HB2 1 1
16 3004 1 1 5 BCX HB3 H 1.713 -0.978 2.547 1.00 . A A . 5 BCX HB3 1 1
16 3005 1 1 5 BCX HC1 H 0.097 -3.103 -0.087 1.00 . A A . 5 BCX HC1 1 1
16 3006 1 1 5 BCX HC2 H 0.752 -3.483 1.498 1.00 . A A . 5 BCX HC2 1 1
16 3007 1 1 5 BCX N N -1.441 -1.882 1.565 1.00 . A A . 5 BCX N 1 1
16 3008 1 1 5 BCX O O 2.205 -1.410 -0.687 1.00 . A A . 5 BCX O 1 1
16 3009 1 1 5 BCX SG S 0.226 0.870 2.702 1.00 . A A . 5 BCX SG 1 1
16 3010 1 1 6 SER C C 3.704 -4.294 -1.724 1.00 . A A . 6 SER C 1 1
16 3011 1 1 6 SER CA C 4.188 -3.438 -0.512 1.00 . A A . 6 SER CA 1 1
16 3012 1 1 6 SER CB C 5.354 -4.029 0.312 1.00 . A A . 6 SER CB 1 1
16 3013 1 1 6 SER H H 2.648 -3.906 1.031 1.00 . A A . 6 SER H 1 1
16 3014 1 1 6 SER HA H 4.562 -2.462 -0.887 1.00 . A A . 6 SER HA 1 1
16 3015 1 1 6 SER HB2 H 5.634 -3.341 1.136 1.00 . A A . 6 SER HB2 1 1
16 3016 1 1 6 SER HB3 H 5.064 -4.979 0.798 1.00 . A A . 6 SER HB3 1 1
16 3017 1 1 6 SER HG H 6.758 -3.388 -0.848 1.00 . A A . 6 SER HG 1 1
16 3018 1 1 6 SER N N 3.039 -3.196 0.411 1.00 . A A . 6 SER N 1 1
16 3019 1 1 6 SER O O 3.827 -5.522 -1.757 1.00 . A A . 6 SER O 1 1
16 3020 1 1 6 SER OG O 6.497 -4.247 -0.508 1.00 . A A . 6 SER OG 1 1
16 3021 1 1 7 GLY C C 1.478 -3.211 -4.501 1.00 . A A . 7 GLY C 1 1
16 3022 1 1 7 GLY CA C 2.539 -4.178 -3.925 1.00 . A A . 7 GLY CA 1 1
16 3023 1 1 7 GLY H H 3.018 -2.577 -2.507 1.00 . A A . 7 GLY H 1 1
16 3024 1 1 7 GLY HA2 H 3.326 -4.376 -4.677 1.00 . A A . 7 GLY HA2 1 1
16 3025 1 1 7 GLY HA3 H 2.065 -5.154 -3.705 1.00 . A A . 7 GLY HA3 1 1
16 3026 1 1 7 GLY N N 3.144 -3.580 -2.712 1.00 . A A . 7 GLY N 1 1
16 3027 1 1 7 GLY O O 1.535 -2.883 -5.689 1.00 . A A . 7 GLY O 1 1
16 3028 1 1 8 LYS C C 0.050 -0.365 -4.063 1.00 . A A . 8 LYS C 1 1
16 3029 1 1 8 LYS CA C -0.548 -1.810 -4.059 1.00 . A A . 8 LYS CA 1 1
16 3030 1 1 8 LYS CB C -1.767 -1.990 -3.102 1.00 . A A . 8 LYS CB 1 1
16 3031 1 1 8 LYS CD C -3.756 -1.399 -4.748 1.00 . A A . 8 LYS CD 1 1
16 3032 1 1 8 LYS CE C -4.534 -2.729 -4.840 1.00 . A A . 8 LYS CE 1 1
16 3033 1 1 8 LYS CG C -3.009 -1.120 -3.423 1.00 . A A . 8 LYS CG 1 1
16 3034 1 1 8 LYS H H 0.631 -3.035 -2.684 1.00 . A A . 8 LYS H 1 1
16 3035 1 1 8 LYS HA H -0.888 -2.049 -5.087 1.00 . A A . 8 LYS HA 1 1
16 3036 1 1 8 LYS HB2 H -2.071 -3.050 -3.051 1.00 . A A . 8 LYS HB2 1 1
16 3037 1 1 8 LYS HB3 H -1.453 -1.760 -2.062 1.00 . A A . 8 LYS HB3 1 1
16 3038 1 1 8 LYS HD2 H -4.493 -0.584 -4.875 1.00 . A A . 8 LYS HD2 1 1
16 3039 1 1 8 LYS HD3 H -3.075 -1.280 -5.612 1.00 . A A . 8 LYS HD3 1 1
16 3040 1 1 8 LYS HE2 H -5.073 -2.934 -3.896 1.00 . A A . 8 LYS HE2 1 1
16 3041 1 1 8 LYS HE3 H -5.319 -2.637 -5.614 1.00 . A A . 8 LYS HE3 1 1
16 3042 1 1 8 LYS HG2 H -3.726 -1.198 -2.587 1.00 . A A . 8 LYS HG2 1 1
16 3043 1 1 8 LYS HG3 H -2.709 -0.056 -3.411 1.00 . A A . 8 LYS HG3 1 1
16 3044 1 1 8 LYS HZ1 H -3.239 -3.730 -6.102 1.00 . A A . 8 LYS HZ1 1 1
16 3045 1 1 8 LYS HZ2 H -4.247 -4.727 -5.287 1.00 . A A . 8 LYS HZ2 1 1
16 3046 1 1 8 LYS N N 0.504 -2.777 -3.667 1.00 . A A . 8 LYS N 1 1
16 3047 1 1 8 LYS NZ N -3.679 -3.879 -5.186 1.00 . A A . 8 LYS NZ 1 1
16 3048 1 1 8 LYS O O 0.244 0.212 -5.137 1.00 . A A . 8 LYS O 1 1
16 3049 1 1 9 LEU C C 1.571 1.558 -1.304 1.00 . A A . 9 LEU C 1 1
16 3050 1 1 9 LEU CA C 0.899 1.561 -2.707 1.00 . A A . 9 LEU CA 1 1
16 3051 1 1 9 LEU CB C -0.274 2.571 -2.827 1.00 . A A . 9 LEU CB 1 1
16 3052 1 1 9 LEU CD1 C -1.194 4.859 -3.426 1.00 . A A . 9 LEU CD1 1 1
16 3053 1 1 9 LEU CD2 C 0.683 4.743 -1.760 1.00 . A A . 9 LEU CD2 1 1
16 3054 1 1 9 LEU CG C 0.068 4.077 -3.008 1.00 . A A . 9 LEU CG 1 1
16 3055 1 1 9 LEU H H 0.066 -0.347 -2.049 1.00 . A A . 9 LEU H 1 1
16 3056 1 1 9 LEU HA H 1.629 1.766 -3.517 1.00 . A A . 9 LEU HA 1 1
16 3057 1 1 9 LEU HB2 H -0.860 2.260 -3.715 1.00 . A A . 9 LEU HB2 1 1
16 3058 1 1 9 LEU HB3 H -0.962 2.413 -1.974 1.00 . A A . 9 LEU HB3 1 1
16 3059 1 1 9 LEU HD11 H -0.972 5.926 -3.616 1.00 . A A . 9 LEU HD11 1 1
16 3060 1 1 9 LEU HD12 H -1.633 4.459 -4.359 1.00 . A A . 9 LEU HD12 1 1
16 3061 1 1 9 LEU HD13 H -1.983 4.822 -2.651 1.00 . A A . 9 LEU HD13 1 1
16 3062 1 1 9 LEU HD21 H 0.830 5.830 -1.902 1.00 . A A . 9 LEU HD21 1 1
16 3063 1 1 9 LEU HD22 H 0.051 4.610 -0.862 1.00 . A A . 9 LEU HD22 1 1
16 3064 1 1 9 LEU HD23 H 1.679 4.331 -1.525 1.00 . A A . 9 LEU HD23 1 1
16 3065 1 1 9 LEU HG H 0.796 4.169 -3.835 1.00 . A A . 9 LEU HG 1 1
16 3066 1 1 9 LEU N N 0.347 0.198 -2.871 1.00 . A A . 9 LEU N 1 1
16 3067 1 1 9 LEU O O 0.874 1.475 -0.286 1.00 . A A . 9 LEU O 1 1
16 3068 1 1 10 ILE C C 3.207 2.632 1.150 1.00 . A A . 10 ILE C 1 1
16 3069 1 1 10 ILE CA C 3.700 1.652 0.028 1.00 . A A . 10 ILE CA 1 1
16 3070 1 1 10 ILE CB C 5.236 1.848 -0.249 1.00 . A A . 10 ILE CB 1 1
16 3071 1 1 10 ILE CD1 C 6.963 3.774 -0.470 1.00 . A A . 10 ILE CD1 1 1
16 3072 1 1 10 ILE CG1 C 5.614 3.202 -0.928 1.00 . A A . 10 ILE CG1 1 1
16 3073 1 1 10 ILE CG2 C 5.868 0.649 -0.998 1.00 . A A . 10 ILE CG2 1 1
16 3074 1 1 10 ILE H H 3.381 1.642 -2.158 1.00 . A A . 10 ILE H 1 1
16 3075 1 1 10 ILE HA H 3.584 0.624 0.432 1.00 . A A . 10 ILE HA 1 1
16 3076 1 1 10 ILE HB H 5.731 1.838 0.741 1.00 . A A . 10 ILE HB 1 1
16 3077 1 1 10 ILE HD11 H 7.803 3.105 -0.726 1.00 . A A . 10 ILE HD11 1 1
16 3078 1 1 10 ILE HD12 H 7.156 4.756 -0.937 1.00 . A A . 10 ILE HD12 1 1
16 3079 1 1 10 ILE HD13 H 6.978 3.927 0.625 1.00 . A A . 10 ILE HD13 1 1
16 3080 1 1 10 ILE HG12 H 5.594 3.109 -2.031 1.00 . A A . 10 ILE HG12 1 1
16 3081 1 1 10 ILE HG13 H 4.849 3.969 -0.707 1.00 . A A . 10 ILE HG13 1 1
16 3082 1 1 10 ILE HG21 H 6.965 0.754 -1.088 1.00 . A A . 10 ILE HG21 1 1
16 3083 1 1 10 ILE HG22 H 5.682 -0.303 -0.470 1.00 . A A . 10 ILE HG22 1 1
16 3084 1 1 10 ILE HG23 H 5.467 0.538 -2.023 1.00 . A A . 10 ILE HG23 1 1
16 3085 1 1 10 ILE N N 2.911 1.666 -1.248 1.00 . A A . 10 ILE N 1 1
16 3086 1 1 10 ILE O O 2.782 3.757 0.868 1.00 . A A . 10 ILE O 1 1
16 3087 1 1 11 CYS C C 4.038 3.906 4.048 1.00 . A A . 11 CYS C 1 1
16 3088 1 1 11 CYS CA C 2.859 2.993 3.592 1.00 . A A . 11 CYS CA 1 1
16 3089 1 1 11 CYS CB C 2.370 2.052 4.722 1.00 . A A . 11 CYS CB 1 1
16 3090 1 1 11 CYS H H 3.757 1.292 2.548 1.00 . A A . 11 CYS H 1 1
16 3091 1 1 11 CYS HA H 1.993 3.623 3.308 1.00 . A A . 11 CYS HA 1 1
16 3092 1 1 11 CYS HB2 H 3.011 1.154 4.826 1.00 . A A . 11 CYS HB2 1 1
16 3093 1 1 11 CYS HB3 H 2.431 2.564 5.701 1.00 . A A . 11 CYS HB3 1 1
16 3094 1 1 11 CYS N N 3.278 2.185 2.420 1.00 . A A . 11 CYS N 1 1
16 3095 1 1 11 CYS O O 4.858 3.538 4.896 1.00 . A A . 11 CYS O 1 1
16 3096 1 1 11 CYS SG S 0.642 1.550 4.535 1.00 . A A . 11 CYS SG 1 1
16 3097 1 1 12 THR C C 4.874 6.798 5.146 1.00 . A A . 12 THR C 1 1
16 3098 1 1 12 THR CA C 5.140 6.132 3.761 1.00 . A A . 12 THR CA 1 1
16 3099 1 1 12 THR CB C 5.248 7.208 2.636 1.00 . A A . 12 THR CB 1 1
16 3100 1 1 12 THR CG2 C 5.741 6.689 1.277 1.00 . A A . 12 THR CG2 1 1
16 3101 1 1 12 THR H H 3.507 5.178 2.625 1.00 . A A . 12 THR H 1 1
16 3102 1 1 12 THR HA H 6.114 5.607 3.777 1.00 . A A . 12 THR HA 1 1
16 3103 1 1 12 THR HB H 5.977 7.976 2.963 1.00 . A A . 12 THR HB 1 1
16 3104 1 1 12 THR HG1 H 3.624 7.944 3.323 1.00 . A A . 12 THR HG1 1 1
16 3105 1 1 12 THR HG21 H 5.059 5.929 0.854 1.00 . A A . 12 THR HG21 1 1
16 3106 1 1 12 THR HG22 H 5.815 7.508 0.538 1.00 . A A . 12 THR HG22 1 1
16 3107 1 1 12 THR HG23 H 6.744 6.233 1.359 1.00 . A A . 12 THR HG23 1 1
16 3108 1 1 12 THR N N 4.092 5.116 3.463 1.00 . A A . 12 THR N 1 1
16 3109 1 1 12 THR O O 3.959 7.616 5.290 1.00 . A A . 12 THR O 1 1
16 3110 1 1 12 THR OG1 O 3.996 7.856 2.442 1.00 . A A . 12 THR OG1 1 1
16 3111 1 1 13 THR C C 7.001 7.159 8.073 1.00 . A A . 13 THR C 1 1
16 3112 1 1 13 THR CA C 5.558 6.938 7.539 1.00 . A A . 13 THR CA 1 1
16 3113 1 1 13 THR CB C 4.730 5.979 8.447 1.00 . A A . 13 THR CB 1 1
16 3114 1 1 13 THR CG2 C 3.209 6.039 8.219 1.00 . A A . 13 THR CG2 1 1
16 3115 1 1 13 THR H H 6.379 5.711 5.928 1.00 . A A . 13 THR H 1 1
16 3116 1 1 13 THR HA H 5.033 7.917 7.537 1.00 . A A . 13 THR HA 1 1
16 3117 1 1 13 THR HB H 4.915 6.274 9.493 1.00 . A A . 13 THR HB 1 1
16 3118 1 1 13 THR HG1 H 4.984 4.412 7.371 1.00 . A A . 13 THR HG1 1 1
16 3119 1 1 13 THR HG21 H 2.672 5.385 8.932 1.00 . A A . 13 THR HG21 1 1
16 3120 1 1 13 THR HG22 H 2.815 7.062 8.355 1.00 . A A . 13 THR HG22 1 1
16 3121 1 1 13 THR HG23 H 2.931 5.709 7.202 1.00 . A A . 13 THR HG23 1 1
16 3122 1 1 13 THR N N 5.679 6.423 6.152 1.00 . A A . 13 THR N 1 1
16 3123 1 1 13 THR O O 7.695 6.212 8.462 1.00 . A A . 13 THR O 1 1
16 3124 1 1 13 THR OG1 O 5.140 4.623 8.295 1.00 . A A . 13 THR OG1 1 1
16 3125 1 1 14 ALA C C 8.780 9.072 10.090 1.00 . A A . 14 ALA C 1 1
16 3126 1 1 14 ALA CA C 8.790 8.818 8.565 1.00 . A A . 14 ALA CA 1 1
16 3127 1 1 14 ALA CB C 9.262 10.037 7.750 1.00 . A A . 14 ALA CB 1 1
16 3128 1 1 14 ALA H H 6.774 9.102 7.695 1.00 . A A . 14 ALA H 1 1
16 3129 1 1 14 ALA HXT H 9.035 7.148 10.229 1.00 . A A . 14 ALA HXT 1 1
16 3130 1 1 14 ALA HA H 9.514 8.005 8.355 1.00 . A A . 14 ALA HA 1 1
16 3131 1 1 14 ALA HB1 H 9.302 9.818 6.666 1.00 . A A . 14 ALA HB1 1 1
16 3132 1 1 14 ALA HB2 H 8.600 10.915 7.883 1.00 . A A . 14 ALA HB2 1 1
16 3133 1 1 14 ALA HB3 H 10.279 10.351 8.048 1.00 . A A . 14 ALA HB3 1 1
16 3134 1 1 14 ALA N N 7.439 8.430 8.090 1.00 . A A . 14 ALA N 1 1
16 3135 1 1 14 ALA O O 8.613 10.177 10.609 1.00 . A A . 14 ALA O 1 1
16 3136 1 1 14 ALA OXT O 8.967 7.914 10.804 1.00 . A A . 14 ALA OXT 1 1
17 3137 1 1 1 ACE C C -0.092 5.230 1.691 1.00 . A A . 1 ACE C 1 1
17 3138 1 1 1 ACE CH3 C 0.425 6.308 0.743 1.00 . A A . 1 ACE CH3 1 1
17 3139 1 1 1 ACE H1 H -0.405 6.816 0.220 1.00 . A A . 1 ACE H1 1 1
17 3140 1 1 1 ACE H2 H 1.016 7.074 1.278 1.00 . A A . 1 ACE H2 1 1
17 3141 1 1 1 ACE H3 H 1.085 5.872 -0.029 1.00 . A A . 1 ACE H3 1 1
17 3142 1 1 1 ACE O O 0.101 4.037 1.453 1.00 . A A . 1 ACE O 1 1
17 3143 1 1 2 ILE C C -2.833 4.338 3.520 1.00 . A A . 2 ILE C 1 1
17 3144 1 1 2 ILE CA C -1.351 4.777 3.799 1.00 . A A . 2 ILE CA 1 1
17 3145 1 1 2 ILE CB C -1.101 5.368 5.239 1.00 . A A . 2 ILE CB 1 1
17 3146 1 1 2 ILE CD1 C -2.842 7.353 5.270 1.00 . A A . 2 ILE CD1 1 1
17 3147 1 1 2 ILE CG1 C -1.401 6.880 5.501 1.00 . A A . 2 ILE CG1 1 1
17 3148 1 1 2 ILE CG2 C 0.343 5.081 5.721 1.00 . A A . 2 ILE CG2 1 1
17 3149 1 1 2 ILE H H -0.860 6.699 2.807 1.00 . A A . 2 ILE H 1 1
17 3150 1 1 2 ILE HA H -0.795 3.816 3.780 1.00 . A A . 2 ILE HA 1 1
17 3151 1 1 2 ILE HB H -1.753 4.791 5.918 1.00 . A A . 2 ILE HB 1 1
17 3152 1 1 2 ILE HD11 H -3.565 6.782 5.880 1.00 . A A . 2 ILE HD11 1 1
17 3153 1 1 2 ILE HD12 H -2.961 8.420 5.534 1.00 . A A . 2 ILE HD12 1 1
17 3154 1 1 2 ILE HD13 H -3.139 7.248 4.211 1.00 . A A . 2 ILE HD13 1 1
17 3155 1 1 2 ILE HG12 H -1.147 7.125 6.550 1.00 . A A . 2 ILE HG12 1 1
17 3156 1 1 2 ILE HG13 H -0.722 7.510 4.894 1.00 . A A . 2 ILE HG13 1 1
17 3157 1 1 2 ILE HG21 H 1.101 5.586 5.091 1.00 . A A . 2 ILE HG21 1 1
17 3158 1 1 2 ILE HG22 H 0.510 5.413 6.763 1.00 . A A . 2 ILE HG22 1 1
17 3159 1 1 2 ILE HG23 H 0.572 4.001 5.703 1.00 . A A . 2 ILE HG23 1 1
17 3160 1 1 2 ILE N N -0.779 5.679 2.750 1.00 . A A . 2 ILE N 1 1
17 3161 1 1 2 ILE O O -3.744 4.598 4.312 1.00 . A A . 2 ILE O 1 1
17 3162 1 1 3 TRP C C -4.162 1.824 1.163 1.00 . A A . 3 TRP C 1 1
17 3163 1 1 3 TRP CA C -4.396 3.125 1.984 1.00 . A A . 3 TRP CA 1 1
17 3164 1 1 3 TRP CB C -5.220 4.176 1.178 1.00 . A A . 3 TRP CB 1 1
17 3165 1 1 3 TRP CD1 C -5.069 6.677 1.947 1.00 . A A . 3 TRP CD1 1 1
17 3166 1 1 3 TRP CD2 C -6.749 5.522 2.841 1.00 . A A . 3 TRP CD2 1 1
17 3167 1 1 3 TRP CE2 C -6.753 6.844 3.354 1.00 . A A . 3 TRP CE2 1 1
17 3168 1 1 3 TRP CE3 C -7.705 4.575 3.290 1.00 . A A . 3 TRP CE3 1 1
17 3169 1 1 3 TRP CG C -5.693 5.411 1.955 1.00 . A A . 3 TRP CG 1 1
17 3170 1 1 3 TRP CH2 C -8.653 6.285 4.744 1.00 . A A . 3 TRP CH2 1 1
17 3171 1 1 3 TRP CZ2 C -7.716 7.229 4.318 1.00 . A A . 3 TRP CZ2 1 1
17 3172 1 1 3 TRP CZ3 C -8.647 4.978 4.238 1.00 . A A . 3 TRP CZ3 1 1
17 3173 1 1 3 TRP H H -2.208 3.345 1.913 1.00 . A A . 3 TRP H 1 1
17 3174 1 1 3 TRP HA H -4.961 2.859 2.893 1.00 . A A . 3 TRP HA 1 1
17 3175 1 1 3 TRP HB2 H -4.647 4.500 0.288 1.00 . A A . 3 TRP HB2 1 1
17 3176 1 1 3 TRP HB3 H -6.117 3.683 0.756 1.00 . A A . 3 TRP HB3 1 1
17 3177 1 1 3 TRP HD1 H -4.162 6.904 1.406 1.00 . A A . 3 TRP HD1 1 1
17 3178 1 1 3 TRP HE1 H -5.460 8.556 3.012 1.00 . A A . 3 TRP HE1 1 1
17 3179 1 1 3 TRP HE3 H -7.704 3.561 2.915 1.00 . A A . 3 TRP HE3 1 1
17 3180 1 1 3 TRP HH2 H -9.392 6.565 5.480 1.00 . A A . 3 TRP HH2 1 1
17 3181 1 1 3 TRP HZ2 H -7.726 8.231 4.722 1.00 . A A . 3 TRP HZ2 1 1
17 3182 1 1 3 TRP HZ3 H -9.381 4.268 4.591 1.00 . A A . 3 TRP HZ3 1 1
17 3183 1 1 3 TRP N N -3.057 3.627 2.398 1.00 . A A . 3 TRP N 1 1
17 3184 1 1 3 TRP NE1 N -5.720 7.585 2.803 1.00 . A A . 3 TRP NE1 1 1
17 3185 1 1 3 TRP O O -4.020 1.869 -0.064 1.00 . A A . 3 TRP O 1 1
17 3186 1 1 4 GLY C C -2.383 -0.777 0.775 1.00 . A A . 4 GLY C 1 1
17 3187 1 1 4 GLY CA C -3.864 -0.651 1.185 1.00 . A A . 4 GLY CA 1 1
17 3188 1 1 4 GLY H H -4.227 0.748 2.862 1.00 . A A . 4 GLY H 1 1
17 3189 1 1 4 GLY HA2 H -4.161 -1.471 1.867 1.00 . A A . 4 GLY HA2 1 1
17 3190 1 1 4 GLY HA3 H -4.513 -0.762 0.296 1.00 . A A . 4 GLY HA3 1 1
17 3191 1 1 4 GLY N N -4.112 0.659 1.847 1.00 . A A . 4 GLY N 1 1
17 3192 1 1 4 GLY O O -2.037 -0.384 -0.341 1.00 . A A . 4 GLY O 1 1
17 3193 1 1 5 BCX C C 1.934 -2.726 0.512 1.00 . A A . 5 BCX C 1 1
17 3194 1 1 5 BCX CA C -0.077 -1.428 1.404 1.00 . A A . 5 BCX CA 1 1
17 3195 1 1 5 BCX CB C 0.627 -0.863 2.660 1.00 . A A . 5 BCX CB 1 1
17 3196 1 1 5 BCX CC C 0.471 -2.809 1.040 1.00 . A A . 5 BCX CC 1 1
17 3197 1 1 5 BCX H H -1.950 -1.593 2.557 1.00 . A A . 5 BCX H 1 1
17 3198 1 1 5 BCX HA H 0.186 -0.855 0.503 1.00 . A A . 5 BCX HA 1 1
17 3199 1 1 5 BCX HB2 H 0.300 -1.395 3.575 1.00 . A A . 5 BCX HB2 1 1
17 3200 1 1 5 BCX HB3 H 1.723 -1.022 2.616 1.00 . A A . 5 BCX HB3 1 1
17 3201 1 1 5 BCX HC1 H -0.174 -3.232 0.248 1.00 . A A . 5 BCX HC1 1 1
17 3202 1 1 5 BCX HC2 H 0.384 -3.478 1.916 1.00 . A A . 5 BCX HC2 1 1
17 3203 1 1 5 BCX N N -1.533 -1.328 1.659 1.00 . A A . 5 BCX N 1 1
17 3204 1 1 5 BCX O O 2.469 -1.658 0.188 1.00 . A A . 5 BCX O 1 1
17 3205 1 1 5 BCX SG S 0.320 0.909 2.786 1.00 . A A . 5 BCX SG 1 1
17 3206 1 1 6 SER C C 3.602 -4.489 -1.766 1.00 . A A . 6 SER C 1 1
17 3207 1 1 6 SER CA C 3.861 -4.034 -0.304 1.00 . A A . 6 SER CA 1 1
17 3208 1 1 6 SER CB C 4.722 -4.958 0.582 1.00 . A A . 6 SER CB 1 1
17 3209 1 1 6 SER H H 1.881 -4.661 0.490 1.00 . A A . 6 SER H 1 1
17 3210 1 1 6 SER HA H 4.404 -3.066 -0.326 1.00 . A A . 6 SER HA 1 1
17 3211 1 1 6 SER HB2 H 4.850 -4.499 1.585 1.00 . A A . 6 SER HB2 1 1
17 3212 1 1 6 SER HB3 H 4.219 -5.927 0.757 1.00 . A A . 6 SER HB3 1 1
17 3213 1 1 6 SER HG H 6.427 -4.317 -0.055 1.00 . A A . 6 SER HG 1 1
17 3214 1 1 6 SER N N 2.541 -3.893 0.371 1.00 . A A . 6 SER N 1 1
17 3215 1 1 6 SER O O 3.659 -5.679 -2.093 1.00 . A A . 6 SER O 1 1
17 3216 1 1 6 SER OG O 6.005 -5.177 0.005 1.00 . A A . 6 SER OG 1 1
17 3217 1 1 7 GLY C C 1.822 -2.823 -4.535 1.00 . A A . 7 GLY C 1 1
17 3218 1 1 7 GLY CA C 2.977 -3.737 -4.056 1.00 . A A . 7 GLY CA 1 1
17 3219 1 1 7 GLY H H 3.142 -2.575 -2.201 1.00 . A A . 7 GLY H 1 1
17 3220 1 1 7 GLY HA2 H 3.875 -3.555 -4.675 1.00 . A A . 7 GLY HA2 1 1
17 3221 1 1 7 GLY HA3 H 2.691 -4.790 -4.245 1.00 . A A . 7 GLY HA3 1 1
17 3222 1 1 7 GLY N N 3.316 -3.496 -2.630 1.00 . A A . 7 GLY N 1 1
17 3223 1 1 7 GLY O O 1.912 -2.236 -5.614 1.00 . A A . 7 GLY O 1 1
17 3224 1 1 8 LYS C C -0.100 -0.365 -3.895 1.00 . A A . 8 LYS C 1 1
17 3225 1 1 8 LYS CA C -0.445 -1.882 -4.023 1.00 . A A . 8 LYS CA 1 1
17 3226 1 1 8 LYS CB C -1.576 -2.359 -3.061 1.00 . A A . 8 LYS CB 1 1
17 3227 1 1 8 LYS CD C -4.078 -2.361 -2.475 1.00 . A A . 8 LYS CD 1 1
17 3228 1 1 8 LYS CE C -5.426 -1.638 -2.647 1.00 . A A . 8 LYS CE 1 1
17 3229 1 1 8 LYS CG C -2.966 -1.748 -3.348 1.00 . A A . 8 LYS CG 1 1
17 3230 1 1 8 LYS H H 0.840 -3.175 -2.822 1.00 . A A . 8 LYS H 1 1
17 3231 1 1 8 LYS HA H -0.775 -2.079 -5.063 1.00 . A A . 8 LYS HA 1 1
17 3232 1 1 8 LYS HB2 H -1.659 -3.461 -3.090 1.00 . A A . 8 LYS HB2 1 1
17 3233 1 1 8 LYS HB3 H -1.291 -2.138 -2.011 1.00 . A A . 8 LYS HB3 1 1
17 3234 1 1 8 LYS HD2 H -4.188 -3.434 -2.723 1.00 . A A . 8 LYS HD2 1 1
17 3235 1 1 8 LYS HD3 H -3.773 -2.328 -1.413 1.00 . A A . 8 LYS HD3 1 1
17 3236 1 1 8 LYS HE2 H -5.328 -0.569 -2.379 1.00 . A A . 8 LYS HE2 1 1
17 3237 1 1 8 LYS HE3 H -5.747 -1.662 -3.706 1.00 . A A . 8 LYS HE3 1 1
17 3238 1 1 8 LYS HG2 H -2.921 -0.654 -3.183 1.00 . A A . 8 LYS HG2 1 1
17 3239 1 1 8 LYS HG3 H -3.223 -1.881 -4.416 1.00 . A A . 8 LYS HG3 1 1
17 3240 1 1 8 LYS HZ1 H -6.187 -2.244 -0.824 1.00 . A A . 8 LYS HZ1 1 1
17 3241 1 1 8 LYS HZ2 H -6.582 -3.244 -2.054 1.00 . A A . 8 LYS HZ2 1 1
17 3242 1 1 8 LYS N N 0.735 -2.730 -3.738 1.00 . A A . 8 LYS N 1 1
17 3243 1 1 8 LYS NZ N -6.471 -2.253 -1.809 1.00 . A A . 8 LYS NZ 1 1
17 3244 1 1 8 LYS O O -0.127 0.351 -4.900 1.00 . A A . 8 LYS O 1 1
17 3245 1 1 9 LEU C C 1.470 1.527 -1.135 1.00 . A A . 9 LEU C 1 1
17 3246 1 1 9 LEU CA C 0.568 1.516 -2.401 1.00 . A A . 9 LEU CA 1 1
17 3247 1 1 9 LEU CB C -0.770 2.269 -2.185 1.00 . A A . 9 LEU CB 1 1
17 3248 1 1 9 LEU CD1 C -0.294 4.527 -3.335 1.00 . A A . 9 LEU CD1 1 1
17 3249 1 1 9 LEU CD2 C -2.033 4.370 -1.513 1.00 . A A . 9 LEU CD2 1 1
17 3250 1 1 9 LEU CG C -0.694 3.812 -2.029 1.00 . A A . 9 LEU CG 1 1
17 3251 1 1 9 LEU H H 0.059 -0.540 -1.898 1.00 . A A . 9 LEU H 1 1
17 3252 1 1 9 LEU HA H 1.084 1.955 -3.278 1.00 . A A . 9 LEU HA 1 1
17 3253 1 1 9 LEU HB2 H -1.450 2.015 -3.020 1.00 . A A . 9 LEU HB2 1 1
17 3254 1 1 9 LEU HB3 H -1.247 1.821 -1.291 1.00 . A A . 9 LEU HB3 1 1
17 3255 1 1 9 LEU HD11 H -0.246 5.624 -3.200 1.00 . A A . 9 LEU HD11 1 1
17 3256 1 1 9 LEU HD12 H 0.706 4.212 -3.687 1.00 . A A . 9 LEU HD12 1 1
17 3257 1 1 9 LEU HD13 H -1.009 4.327 -4.154 1.00 . A A . 9 LEU HD13 1 1
17 3258 1 1 9 LEU HD21 H -1.996 5.465 -1.371 1.00 . A A . 9 LEU HD21 1 1
17 3259 1 1 9 LEU HD22 H -2.871 4.153 -2.201 1.00 . A A . 9 LEU HD22 1 1
17 3260 1 1 9 LEU HD23 H -2.295 3.936 -0.531 1.00 . A A . 9 LEU HD23 1 1
17 3261 1 1 9 LEU HG H 0.072 4.045 -1.267 1.00 . A A . 9 LEU HG 1 1
17 3262 1 1 9 LEU N N 0.236 0.103 -2.675 1.00 . A A . 9 LEU N 1 1
17 3263 1 1 9 LEU O O 0.975 1.338 -0.022 1.00 . A A . 9 LEU O 1 1
17 3264 1 1 10 ILE C C 3.344 2.774 0.994 1.00 . A A . 10 ILE C 1 1
17 3265 1 1 10 ILE CA C 3.777 1.807 -0.169 1.00 . A A . 10 ILE CA 1 1
17 3266 1 1 10 ILE CB C 5.233 2.106 -0.717 1.00 . A A . 10 ILE CB 1 1
17 3267 1 1 10 ILE CD1 C 6.741 0.624 0.820 1.00 . A A . 10 ILE CD1 1 1
17 3268 1 1 10 ILE CG1 C 6.377 2.035 0.339 1.00 . A A . 10 ILE CG1 1 1
17 3269 1 1 10 ILE CG2 C 5.357 3.462 -1.468 1.00 . A A . 10 ILE CG2 1 1
17 3270 1 1 10 ILE H H 3.044 1.907 -2.280 1.00 . A A . 10 ILE H 1 1
17 3271 1 1 10 ILE HA H 3.788 0.769 0.232 1.00 . A A . 10 ILE HA 1 1
17 3272 1 1 10 ILE HB H 5.495 1.323 -1.457 1.00 . A A . 10 ILE HB 1 1
17 3273 1 1 10 ILE HD11 H 7.582 0.660 1.539 1.00 . A A . 10 ILE HD11 1 1
17 3274 1 1 10 ILE HD12 H 5.895 0.124 1.325 1.00 . A A . 10 ILE HD12 1 1
17 3275 1 1 10 ILE HD13 H 7.066 -0.018 -0.020 1.00 . A A . 10 ILE HD13 1 1
17 3276 1 1 10 ILE HG12 H 7.307 2.470 -0.077 1.00 . A A . 10 ILE HG12 1 1
17 3277 1 1 10 ILE HG13 H 6.139 2.674 1.208 1.00 . A A . 10 ILE HG13 1 1
17 3278 1 1 10 ILE HG21 H 6.358 3.594 -1.919 1.00 . A A . 10 ILE HG21 1 1
17 3279 1 1 10 ILE HG22 H 4.631 3.546 -2.296 1.00 . A A . 10 ILE HG22 1 1
17 3280 1 1 10 ILE HG23 H 5.186 4.325 -0.798 1.00 . A A . 10 ILE HG23 1 1
17 3281 1 1 10 ILE N N 2.784 1.765 -1.299 1.00 . A A . 10 ILE N 1 1
17 3282 1 1 10 ILE O O 2.998 3.932 0.736 1.00 . A A . 10 ILE O 1 1
17 3283 1 1 11 CYS C C 4.070 4.110 3.899 1.00 . A A . 11 CYS C 1 1
17 3284 1 1 11 CYS CA C 2.983 3.067 3.460 1.00 . A A . 11 CYS CA 1 1
17 3285 1 1 11 CYS CB C 2.629 2.066 4.596 1.00 . A A . 11 CYS CB 1 1
17 3286 1 1 11 CYS H H 3.614 1.295 2.329 1.00 . A A . 11 CYS H 1 1
17 3287 1 1 11 CYS HA H 2.048 3.617 3.238 1.00 . A A . 11 CYS HA 1 1
17 3288 1 1 11 CYS HB2 H 3.278 1.170 4.594 1.00 . A A . 11 CYS HB2 1 1
17 3289 1 1 11 CYS HB3 H 2.782 2.526 5.590 1.00 . A A . 11 CYS HB3 1 1
17 3290 1 1 11 CYS N N 3.366 2.282 2.253 1.00 . A A . 11 CYS N 1 1
17 3291 1 1 11 CYS O O 4.739 3.971 4.929 1.00 . A A . 11 CYS O 1 1
17 3292 1 1 11 CYS SG S 0.892 1.569 4.576 1.00 . A A . 11 CYS SG 1 1
17 3293 1 1 12 THR C C 4.491 7.612 2.852 1.00 . A A . 12 THR C 1 1
17 3294 1 1 12 THR CA C 5.166 6.284 3.314 1.00 . A A . 12 THR CA 1 1
17 3295 1 1 12 THR CB C 6.533 6.080 2.588 1.00 . A A . 12 THR CB 1 1
17 3296 1 1 12 THR CG2 C 7.397 4.923 3.118 1.00 . A A . 12 THR CG2 1 1
17 3297 1 1 12 THR H H 3.838 5.033 2.157 1.00 . A A . 12 THR H 1 1
17 3298 1 1 12 THR HA H 5.352 6.348 4.397 1.00 . A A . 12 THR HA 1 1
17 3299 1 1 12 THR HB H 7.129 6.997 2.732 1.00 . A A . 12 THR HB 1 1
17 3300 1 1 12 THR HG1 H 5.924 6.726 0.891 1.00 . A A . 12 THR HG1 1 1
17 3301 1 1 12 THR HG21 H 6.903 3.944 2.990 1.00 . A A . 12 THR HG21 1 1
17 3302 1 1 12 THR HG22 H 8.366 4.871 2.589 1.00 . A A . 12 THR HG22 1 1
17 3303 1 1 12 THR HG23 H 7.618 5.042 4.195 1.00 . A A . 12 THR HG23 1 1
17 3304 1 1 12 THR N N 4.213 5.175 3.094 1.00 . A A . 12 THR N 1 1
17 3305 1 1 12 THR O O 3.764 7.658 1.851 1.00 . A A . 12 THR O 1 1
17 3306 1 1 12 THR OG1 O 6.350 5.917 1.186 1.00 . A A . 12 THR OG1 1 1
17 3307 1 1 13 THR C C 5.098 10.737 2.163 1.00 . A A . 13 THR C 1 1
17 3308 1 1 13 THR CA C 4.236 10.061 3.273 1.00 . A A . 13 THR CA 1 1
17 3309 1 1 13 THR CB C 4.146 10.946 4.547 1.00 . A A . 13 THR CB 1 1
17 3310 1 1 13 THR CG2 C 3.117 10.481 5.593 1.00 . A A . 13 THR CG2 1 1
17 3311 1 1 13 THR H H 5.471 8.576 4.312 1.00 . A A . 13 THR H 1 1
17 3312 1 1 13 THR HA H 3.191 9.955 2.912 1.00 . A A . 13 THR HA 1 1
17 3313 1 1 13 THR HB H 3.837 11.956 4.214 1.00 . A A . 13 THR HB 1 1
17 3314 1 1 13 THR HG1 H 6.062 11.003 4.461 1.00 . A A . 13 THR HG1 1 1
17 3315 1 1 13 THR HG21 H 3.367 9.485 6.002 1.00 . A A . 13 THR HG21 1 1
17 3316 1 1 13 THR HG22 H 3.070 11.182 6.447 1.00 . A A . 13 THR HG22 1 1
17 3317 1 1 13 THR HG23 H 2.099 10.418 5.166 1.00 . A A . 13 THR HG23 1 1
17 3318 1 1 13 THR N N 4.783 8.709 3.573 1.00 . A A . 13 THR N 1 1
17 3319 1 1 13 THR O O 6.127 11.372 2.420 1.00 . A A . 13 THR O 1 1
17 3320 1 1 13 THR OG1 O 5.421 11.054 5.177 1.00 . A A . 13 THR OG1 1 1
17 3321 1 1 14 ALA C C 4.226 11.475 -1.336 1.00 . A A . 14 ALA C 1 1
17 3322 1 1 14 ALA CA C 5.295 11.085 -0.293 1.00 . A A . 14 ALA CA 1 1
17 3323 1 1 14 ALA CB C 6.325 10.078 -0.845 1.00 . A A . 14 ALA CB 1 1
17 3324 1 1 14 ALA H H 3.852 9.890 0.930 1.00 . A A . 14 ALA H 1 1
17 3325 1 1 14 ALA HXT H 3.830 9.571 -1.443 1.00 . A A . 14 ALA HXT 1 1
17 3326 1 1 14 ALA HA H 5.843 12.015 -0.041 1.00 . A A . 14 ALA HA 1 1
17 3327 1 1 14 ALA HB1 H 6.830 10.467 -1.749 1.00 . A A . 14 ALA HB1 1 1
17 3328 1 1 14 ALA HB2 H 7.120 9.865 -0.106 1.00 . A A . 14 ALA HB2 1 1
17 3329 1 1 14 ALA HB3 H 5.866 9.108 -1.117 1.00 . A A . 14 ALA HB3 1 1
17 3330 1 1 14 ALA N N 4.639 10.546 0.923 1.00 . A A . 14 ALA N 1 1
17 3331 1 1 14 ALA O O 4.026 12.638 -1.683 1.00 . A A . 14 ALA O 1 1
17 3332 1 1 14 ALA OXT O 3.530 10.396 -1.829 1.00 . A A . 14 ALA OXT 1 1
18 3333 1 1 1 ACE C C -4.985 3.789 8.074 1.00 . A A . 1 ACE C 1 1
18 3334 1 1 1 ACE CH3 C -4.971 4.036 9.578 1.00 . A A . 1 ACE CH3 1 1
18 3335 1 1 1 ACE H1 H -5.999 4.157 9.969 1.00 . A A . 1 ACE H1 1 1
18 3336 1 1 1 ACE H2 H -4.513 3.191 10.123 1.00 . A A . 1 ACE H2 1 1
18 3337 1 1 1 ACE H3 H -4.410 4.955 9.833 1.00 . A A . 1 ACE H3 1 1
18 3338 1 1 1 ACE O O -6.051 3.768 7.454 1.00 . A A . 1 ACE O 1 1
18 3339 1 1 2 ILE C C -3.579 1.786 5.887 1.00 . A A . 2 ILE C 1 1
18 3340 1 1 2 ILE CA C -3.603 3.335 6.047 1.00 . A A . 2 ILE CA 1 1
18 3341 1 1 2 ILE CB C -2.333 4.026 5.443 1.00 . A A . 2 ILE CB 1 1
18 3342 1 1 2 ILE CD1 C -3.236 6.503 5.453 1.00 . A A . 2 ILE CD1 1 1
18 3343 1 1 2 ILE CG1 C -2.109 5.523 5.822 1.00 . A A . 2 ILE CG1 1 1
18 3344 1 1 2 ILE CG2 C -2.253 3.857 3.903 1.00 . A A . 2 ILE CG2 1 1
18 3345 1 1 2 ILE H H -3.008 3.542 8.172 1.00 . A A . 2 ILE H 1 1
18 3346 1 1 2 ILE HA H -4.467 3.760 5.492 1.00 . A A . 2 ILE HA 1 1
18 3347 1 1 2 ILE HB H -1.475 3.468 5.858 1.00 . A A . 2 ILE HB 1 1
18 3348 1 1 2 ILE HD11 H -4.190 6.235 5.945 1.00 . A A . 2 ILE HD11 1 1
18 3349 1 1 2 ILE HD12 H -2.986 7.532 5.769 1.00 . A A . 2 ILE HD12 1 1
18 3350 1 1 2 ILE HD13 H -3.419 6.531 4.364 1.00 . A A . 2 ILE HD13 1 1
18 3351 1 1 2 ILE HG12 H -1.931 5.595 6.911 1.00 . A A . 2 ILE HG12 1 1
18 3352 1 1 2 ILE HG13 H -1.162 5.880 5.371 1.00 . A A . 2 ILE HG13 1 1
18 3353 1 1 2 ILE HG21 H -1.349 4.330 3.479 1.00 . A A . 2 ILE HG21 1 1
18 3354 1 1 2 ILE HG22 H -2.217 2.792 3.605 1.00 . A A . 2 ILE HG22 1 1
18 3355 1 1 2 ILE HG23 H -3.124 4.305 3.388 1.00 . A A . 2 ILE HG23 1 1
18 3356 1 1 2 ILE N N -3.783 3.595 7.508 1.00 . A A . 2 ILE N 1 1
18 3357 1 1 2 ILE O O -2.543 1.126 6.028 1.00 . A A . 2 ILE O 1 1
18 3358 1 1 3 TRP C C -4.971 -0.623 3.929 1.00 . A A . 3 TRP C 1 1
18 3359 1 1 3 TRP CA C -4.980 -0.214 5.428 1.00 . A A . 3 TRP CA 1 1
18 3360 1 1 3 TRP CB C -6.266 -0.624 6.205 1.00 . A A . 3 TRP CB 1 1
18 3361 1 1 3 TRP CD1 C -5.247 -0.322 8.630 1.00 . A A . 3 TRP CD1 1 1
18 3362 1 1 3 TRP CD2 C -7.348 0.376 8.394 1.00 . A A . 3 TRP CD2 1 1
18 3363 1 1 3 TRP CE2 C -6.893 0.655 9.710 1.00 . A A . 3 TRP CE2 1 1
18 3364 1 1 3 TRP CE3 C -8.638 0.798 7.978 1.00 . A A . 3 TRP CE3 1 1
18 3365 1 1 3 TRP CG C -6.319 -0.247 7.706 1.00 . A A . 3 TRP CG 1 1
18 3366 1 1 3 TRP CH2 C -8.992 1.756 10.191 1.00 . A A . 3 TRP CH2 1 1
18 3367 1 1 3 TRP CZ2 C -7.724 1.356 10.616 1.00 . A A . 3 TRP CZ2 1 1
18 3368 1 1 3 TRP CZ3 C -9.442 1.481 8.893 1.00 . A A . 3 TRP CZ3 1 1
18 3369 1 1 3 TRP H H -5.520 1.901 5.735 1.00 . A A . 3 TRP H 1 1
18 3370 1 1 3 TRP HA H -4.161 -0.743 5.941 1.00 . A A . 3 TRP HA 1 1
18 3371 1 1 3 TRP HB2 H -7.150 -0.204 5.688 1.00 . A A . 3 TRP HB2 1 1
18 3372 1 1 3 TRP HB3 H -6.399 -1.720 6.126 1.00 . A A . 3 TRP HB3 1 1
18 3373 1 1 3 TRP HD1 H -4.245 -0.635 8.371 1.00 . A A . 3 TRP HD1 1 1
18 3374 1 1 3 TRP HE1 H -4.990 0.339 10.703 1.00 . A A . 3 TRP HE1 1 1
18 3375 1 1 3 TRP HE3 H -8.994 0.610 6.976 1.00 . A A . 3 TRP HE3 1 1
18 3376 1 1 3 TRP HH2 H -9.635 2.294 10.872 1.00 . A A . 3 TRP HH2 1 1
18 3377 1 1 3 TRP HZ2 H -7.382 1.590 11.613 1.00 . A A . 3 TRP HZ2 1 1
18 3378 1 1 3 TRP HZ3 H -10.425 1.811 8.591 1.00 . A A . 3 TRP HZ3 1 1
18 3379 1 1 3 TRP N N -4.760 1.245 5.574 1.00 . A A . 3 TRP N 1 1
18 3380 1 1 3 TRP NE1 N -5.591 0.218 9.881 1.00 . A A . 3 TRP NE1 1 1
18 3381 1 1 3 TRP O O -6.009 -0.657 3.260 1.00 . A A . 3 TRP O 1 1
18 3382 1 1 4 GLY C C -2.126 -0.914 1.589 1.00 . A A . 4 GLY C 1 1
18 3383 1 1 4 GLY CA C -3.544 -1.326 2.018 1.00 . A A . 4 GLY CA 1 1
18 3384 1 1 4 GLY H H -2.987 -0.809 4.085 1.00 . A A . 4 GLY H 1 1
18 3385 1 1 4 GLY HA2 H -3.702 -2.415 1.900 1.00 . A A . 4 GLY HA2 1 1
18 3386 1 1 4 GLY HA3 H -4.277 -0.839 1.346 1.00 . A A . 4 GLY HA3 1 1
18 3387 1 1 4 GLY N N -3.764 -0.925 3.426 1.00 . A A . 4 GLY N 1 1
18 3388 1 1 4 GLY O O -1.953 0.149 0.986 1.00 . A A . 4 GLY O 1 1
18 3389 1 1 5 BCX C C 2.282 -2.358 0.172 1.00 . A A . 5 BCX C 1 1
18 3390 1 1 5 BCX CA C 0.291 -1.480 1.582 1.00 . A A . 5 BCX CA 1 1
18 3391 1 1 5 BCX CB C 1.037 -1.135 2.896 1.00 . A A . 5 BCX CB 1 1
18 3392 1 1 5 BCX CC C 0.911 -2.661 0.819 1.00 . A A . 5 BCX CC 1 1
18 3393 1 1 5 BCX H H -1.416 -2.600 2.416 1.00 . A A . 5 BCX H 1 1
18 3394 1 1 5 BCX HA H 0.394 -0.640 0.881 1.00 . A A . 5 BCX HA 1 1
18 3395 1 1 5 BCX HB2 H 1.260 -2.039 3.489 1.00 . A A . 5 BCX HB2 1 1
18 3396 1 1 5 BCX HB3 H 2.005 -0.648 2.678 1.00 . A A . 5 BCX HB3 1 1
18 3397 1 1 5 BCX HC1 H 0.231 -2.941 -0.010 1.00 . A A . 5 BCX HC1 1 1
18 3398 1 1 5 BCX HC2 H 0.932 -3.556 1.473 1.00 . A A . 5 BCX HC2 1 1
18 3399 1 1 5 BCX N N -1.128 -1.762 1.899 1.00 . A A . 5 BCX N 1 1
18 3400 1 1 5 BCX O O 2.438 -1.390 -0.573 1.00 . A A . 5 BCX O 1 1
18 3401 1 1 5 BCX SG S 0.109 -0.032 3.979 1.00 . A A . 5 BCX SG 1 1
18 3402 1 1 6 SER C C 3.669 -4.374 -1.846 1.00 . A A . 6 SER C 1 1
18 3403 1 1 6 SER CA C 4.283 -3.561 -0.666 1.00 . A A . 6 SER CA 1 1
18 3404 1 1 6 SER CB C 5.486 -4.245 0.024 1.00 . A A . 6 SER CB 1 1
18 3405 1 1 6 SER H H 2.792 -4.059 0.893 1.00 . A A . 6 SER H 1 1
18 3406 1 1 6 SER HA H 4.668 -2.591 -1.043 1.00 . A A . 6 SER HA 1 1
18 3407 1 1 6 SER HB2 H 5.864 -3.620 0.856 1.00 . A A . 6 SER HB2 1 1
18 3408 1 1 6 SER HB3 H 5.203 -5.215 0.473 1.00 . A A . 6 SER HB3 1 1
18 3409 1 1 6 SER HG H 6.216 -5.065 -1.561 1.00 . A A . 6 SER HG 1 1
18 3410 1 1 6 SER N N 3.205 -3.308 0.338 1.00 . A A . 6 SER N 1 1
18 3411 1 1 6 SER O O 3.677 -5.609 -1.863 1.00 . A A . 6 SER O 1 1
18 3412 1 1 6 SER OG O 6.547 -4.448 -0.903 1.00 . A A . 6 SER OG 1 1
18 3413 1 1 7 GLY C C 1.313 -3.225 -4.456 1.00 . A A . 7 GLY C 1 1
18 3414 1 1 7 GLY CA C 2.427 -4.192 -3.992 1.00 . A A . 7 GLY CA 1 1
18 3415 1 1 7 GLY H H 3.105 -2.612 -2.625 1.00 . A A . 7 GLY H 1 1
18 3416 1 1 7 GLY HA2 H 3.148 -4.364 -4.813 1.00 . A A . 7 GLY HA2 1 1
18 3417 1 1 7 GLY HA3 H 1.976 -5.179 -3.765 1.00 . A A . 7 GLY HA3 1 1
18 3418 1 1 7 GLY N N 3.134 -3.624 -2.820 1.00 . A A . 7 GLY N 1 1
18 3419 1 1 7 GLY O O 1.237 -2.908 -5.645 1.00 . A A . 7 GLY O 1 1
18 3420 1 1 8 LYS C C -0.006 -0.386 -3.925 1.00 . A A . 8 LYS C 1 1
18 3421 1 1 8 LYS CA C -0.642 -1.808 -3.798 1.00 . A A . 8 LYS CA 1 1
18 3422 1 1 8 LYS CB C -1.728 -1.941 -2.683 1.00 . A A . 8 LYS CB 1 1
18 3423 1 1 8 LYS CD C -4.125 -1.254 -1.918 1.00 . A A . 8 LYS CD 1 1
18 3424 1 1 8 LYS CE C -4.720 -2.645 -1.629 1.00 . A A . 8 LYS CE 1 1
18 3425 1 1 8 LYS CG C -3.056 -1.227 -3.029 1.00 . A A . 8 LYS CG 1 1
18 3426 1 1 8 LYS H H 0.711 -2.983 -2.553 1.00 . A A . 8 LYS H 1 1
18 3427 1 1 8 LYS HA H -1.113 -2.071 -4.766 1.00 . A A . 8 LYS HA 1 1
18 3428 1 1 8 LYS HB2 H -1.941 -3.008 -2.482 1.00 . A A . 8 LYS HB2 1 1
18 3429 1 1 8 LYS HB3 H -1.340 -1.558 -1.714 1.00 . A A . 8 LYS HB3 1 1
18 3430 1 1 8 LYS HD2 H -3.701 -0.817 -0.996 1.00 . A A . 8 LYS HD2 1 1
18 3431 1 1 8 LYS HD3 H -4.940 -0.565 -2.215 1.00 . A A . 8 LYS HD3 1 1
18 3432 1 1 8 LYS HE2 H -5.134 -3.088 -2.555 1.00 . A A . 8 LYS HE2 1 1
18 3433 1 1 8 LYS HE3 H -3.936 -3.340 -1.275 1.00 . A A . 8 LYS HE3 1 1
18 3434 1 1 8 LYS HG2 H -2.840 -0.167 -3.265 1.00 . A A . 8 LYS HG2 1 1
18 3435 1 1 8 LYS HG3 H -3.479 -1.647 -3.961 1.00 . A A . 8 LYS HG3 1 1
18 3436 1 1 8 LYS HZ1 H -6.545 -1.960 -0.937 1.00 . A A . 8 LYS HZ1 1 1
18 3437 1 1 8 LYS HZ2 H -6.211 -3.490 -0.468 1.00 . A A . 8 LYS HZ2 1 1
18 3438 1 1 8 LYS N N 0.441 -2.779 -3.520 1.00 . A A . 8 LYS N 1 1
18 3439 1 1 8 LYS NZ N -5.784 -2.567 -0.611 1.00 . A A . 8 LYS NZ 1 1
18 3440 1 1 8 LYS O O 0.072 0.149 -5.035 1.00 . A A . 8 LYS O 1 1
18 3441 1 1 9 LEU C C 1.764 1.568 -1.340 1.00 . A A . 9 LEU C 1 1
18 3442 1 1 9 LEU CA C 1.100 1.531 -2.744 1.00 . A A . 9 LEU CA 1 1
18 3443 1 1 9 LEU CB C 0.010 2.622 -2.930 1.00 . A A . 9 LEU CB 1 1
18 3444 1 1 9 LEU CD1 C -0.743 4.926 -3.683 1.00 . A A . 9 LEU CD1 1 1
18 3445 1 1 9 LEU CD2 C 1.171 4.784 -2.063 1.00 . A A . 9 LEU CD2 1 1
18 3446 1 1 9 LEU CG C 0.464 4.078 -3.237 1.00 . A A . 9 LEU CG 1 1
18 3447 1 1 9 LEU H H 0.270 -0.304 -1.929 1.00 . A A . 9 LEU H 1 1
18 3448 1 1 9 LEU HA H 1.846 1.617 -3.560 1.00 . A A . 9 LEU HA 1 1
18 3449 1 1 9 LEU HB2 H -0.617 2.293 -3.782 1.00 . A A . 9 LEU HB2 1 1
18 3450 1 1 9 LEU HB3 H -0.671 2.586 -2.059 1.00 . A A . 9 LEU HB3 1 1
18 3451 1 1 9 LEU HD11 H -1.507 5.014 -2.888 1.00 . A A . 9 LEU HD11 1 1
18 3452 1 1 9 LEU HD12 H -0.443 5.952 -3.965 1.00 . A A . 9 LEU HD12 1 1
18 3453 1 1 9 LEU HD13 H -1.243 4.492 -4.570 1.00 . A A . 9 LEU HD13 1 1
18 3454 1 1 9 LEU HD21 H 2.142 4.314 -1.830 1.00 . A A . 9 LEU HD21 1 1
18 3455 1 1 9 LEU HD22 H 1.394 5.843 -2.291 1.00 . A A . 9 LEU HD22 1 1
18 3456 1 1 9 LEU HD23 H 0.564 4.766 -1.138 1.00 . A A . 9 LEU HD23 1 1
18 3457 1 1 9 LEU HG H 1.172 4.045 -4.087 1.00 . A A . 9 LEU HG 1 1
18 3458 1 1 9 LEU N N 0.467 0.194 -2.801 1.00 . A A . 9 LEU N 1 1
18 3459 1 1 9 LEU O O 1.056 1.517 -0.326 1.00 . A A . 9 LEU O 1 1
18 3460 1 1 10 ILE C C 3.339 2.789 1.032 1.00 . A A . 10 ILE C 1 1
18 3461 1 1 10 ILE CA C 3.862 1.700 0.034 1.00 . A A . 10 ILE CA 1 1
18 3462 1 1 10 ILE CB C 5.425 1.698 -0.162 1.00 . A A . 10 ILE CB 1 1
18 3463 1 1 10 ILE CD1 C 5.918 4.213 -0.774 1.00 . A A . 10 ILE CD1 1 1
18 3464 1 1 10 ILE CG1 C 6.053 2.731 -1.149 1.00 . A A . 10 ILE CG1 1 1
18 3465 1 1 10 ILE CG2 C 5.925 0.283 -0.549 1.00 . A A . 10 ILE CG2 1 1
18 3466 1 1 10 ILE H H 3.599 1.624 -2.162 1.00 . A A . 10 ILE H 1 1
18 3467 1 1 10 ILE HA H 3.622 0.728 0.513 1.00 . A A . 10 ILE HA 1 1
18 3468 1 1 10 ILE HB H 5.882 1.895 0.827 1.00 . A A . 10 ILE HB 1 1
18 3469 1 1 10 ILE HD11 H 6.216 4.405 0.273 1.00 . A A . 10 ILE HD11 1 1
18 3470 1 1 10 ILE HD12 H 6.556 4.845 -1.418 1.00 . A A . 10 ILE HD12 1 1
18 3471 1 1 10 ILE HD13 H 4.884 4.577 -0.906 1.00 . A A . 10 ILE HD13 1 1
18 3472 1 1 10 ILE HG12 H 7.137 2.527 -1.240 1.00 . A A . 10 ILE HG12 1 1
18 3473 1 1 10 ILE HG13 H 5.653 2.578 -2.169 1.00 . A A . 10 ILE HG13 1 1
18 3474 1 1 10 ILE HG21 H 7.028 0.227 -0.588 1.00 . A A . 10 ILE HG21 1 1
18 3475 1 1 10 ILE HG22 H 5.601 -0.482 0.182 1.00 . A A . 10 ILE HG22 1 1
18 3476 1 1 10 ILE HG23 H 5.546 -0.036 -1.539 1.00 . A A . 10 ILE HG23 1 1
18 3477 1 1 10 ILE N N 3.110 1.669 -1.264 1.00 . A A . 10 ILE N 1 1
18 3478 1 1 10 ILE O O 3.062 3.926 0.636 1.00 . A A . 10 ILE O 1 1
18 3479 1 1 11 CYS C C 3.663 3.592 4.458 1.00 . A A . 11 CYS C 1 1
18 3480 1 1 11 CYS CA C 2.619 3.311 3.352 1.00 . A A . 11 CYS CA 1 1
18 3481 1 1 11 CYS CB C 1.266 2.808 3.889 1.00 . A A . 11 CYS CB 1 1
18 3482 1 1 11 CYS H H 3.739 1.604 2.574 1.00 . A A . 11 CYS H 1 1
18 3483 1 1 11 CYS HA H 2.322 4.255 2.873 1.00 . A A . 11 CYS HA 1 1
18 3484 1 1 11 CYS HB2 H 0.814 3.569 4.552 1.00 . A A . 11 CYS HB2 1 1
18 3485 1 1 11 CYS HB3 H 0.546 2.671 3.059 1.00 . A A . 11 CYS HB3 1 1
18 3486 1 1 11 CYS N N 3.159 2.404 2.312 1.00 . A A . 11 CYS N 1 1
18 3487 1 1 11 CYS O O 3.874 2.774 5.360 1.00 . A A . 11 CYS O 1 1
18 3488 1 1 11 CYS SG S 1.372 1.266 4.809 1.00 . A A . 11 CYS SG 1 1
18 3489 1 1 12 THR C C 4.623 5.785 6.626 1.00 . A A . 12 THR C 1 1
18 3490 1 1 12 THR CA C 5.334 5.207 5.365 1.00 . A A . 12 THR CA 1 1
18 3491 1 1 12 THR CB C 6.348 6.220 4.753 1.00 . A A . 12 THR CB 1 1
18 3492 1 1 12 THR CG2 C 7.223 5.660 3.617 1.00 . A A . 12 THR CG2 1 1
18 3493 1 1 12 THR H H 4.165 5.286 3.511 1.00 . A A . 12 THR H 1 1
18 3494 1 1 12 THR HA H 5.930 4.318 5.642 1.00 . A A . 12 THR HA 1 1
18 3495 1 1 12 THR HB H 7.036 6.532 5.563 1.00 . A A . 12 THR HB 1 1
18 3496 1 1 12 THR HG1 H 5.030 7.596 4.960 1.00 . A A . 12 THR HG1 1 1
18 3497 1 1 12 THR HG21 H 7.800 4.776 3.943 1.00 . A A . 12 THR HG21 1 1
18 3498 1 1 12 THR HG22 H 6.620 5.359 2.741 1.00 . A A . 12 THR HG22 1 1
18 3499 1 1 12 THR HG23 H 7.952 6.414 3.267 1.00 . A A . 12 THR HG23 1 1
18 3500 1 1 12 THR N N 4.308 4.771 4.381 1.00 . A A . 12 THR N 1 1
18 3501 1 1 12 THR O O 4.157 6.930 6.625 1.00 . A A . 12 THR O 1 1
18 3502 1 1 12 THR OG1 O 5.676 7.383 4.280 1.00 . A A . 12 THR OG1 1 1
18 3503 1 1 13 THR C C 4.745 4.773 10.114 1.00 . A A . 13 THR C 1 1
18 3504 1 1 13 THR CA C 3.869 5.332 8.958 1.00 . A A . 13 THR CA 1 1
18 3505 1 1 13 THR CB C 2.403 4.803 9.015 1.00 . A A . 13 THR CB 1 1
18 3506 1 1 13 THR CG2 C 1.397 5.602 8.168 1.00 . A A . 13 THR CG2 1 1
18 3507 1 1 13 THR H H 4.944 4.035 7.563 1.00 . A A . 13 THR H 1 1
18 3508 1 1 13 THR HA H 3.818 6.437 9.058 1.00 . A A . 13 THR HA 1 1
18 3509 1 1 13 THR HB H 2.071 4.869 10.064 1.00 . A A . 13 THR HB 1 1
18 3510 1 1 13 THR HG1 H 2.653 3.415 7.716 1.00 . A A . 13 THR HG1 1 1
18 3511 1 1 13 THR HG21 H 0.369 5.217 8.297 1.00 . A A . 13 THR HG21 1 1
18 3512 1 1 13 THR HG22 H 1.383 6.671 8.450 1.00 . A A . 13 THR HG22 1 1
18 3513 1 1 13 THR HG23 H 1.630 5.546 7.088 1.00 . A A . 13 THR HG23 1 1
18 3514 1 1 13 THR N N 4.535 4.965 7.684 1.00 . A A . 13 THR N 1 1
18 3515 1 1 13 THR O O 4.732 3.572 10.407 1.00 . A A . 13 THR O 1 1
18 3516 1 1 13 THR OG1 O 2.318 3.437 8.616 1.00 . A A . 13 THR OG1 1 1
18 3517 1 1 14 ALA C C 5.665 5.275 13.252 1.00 . A A . 14 ALA C 1 1
18 3518 1 1 14 ALA CA C 6.403 5.309 11.893 1.00 . A A . 14 ALA CA 1 1
18 3519 1 1 14 ALA CB C 7.599 6.280 11.909 1.00 . A A . 14 ALA CB 1 1
18 3520 1 1 14 ALA H H 5.468 6.612 10.364 1.00 . A A . 14 ALA H 1 1
18 3521 1 1 14 ALA HXT H 5.226 7.138 12.903 1.00 . A A . 14 ALA HXT 1 1
18 3522 1 1 14 ALA HA H 6.822 4.298 11.719 1.00 . A A . 14 ALA HA 1 1
18 3523 1 1 14 ALA HB1 H 7.291 7.330 12.071 1.00 . A A . 14 ALA HB1 1 1
18 3524 1 1 14 ALA HB2 H 8.317 6.024 12.710 1.00 . A A . 14 ALA HB2 1 1
18 3525 1 1 14 ALA HB3 H 8.164 6.248 10.958 1.00 . A A . 14 ALA HB3 1 1
18 3526 1 1 14 ALA N N 5.505 5.671 10.767 1.00 . A A . 14 ALA N 1 1
18 3527 1 1 14 ALA O O 5.613 4.270 13.959 1.00 . A A . 14 ALA O 1 1
18 3528 1 1 14 ALA OXT O 5.084 6.476 13.582 1.00 . A A . 14 ALA OXT 1 1
19 3529 1 1 1 ACE C C -4.083 5.927 -0.091 1.00 . A A . 1 ACE C 1 1
19 3530 1 1 1 ACE CH3 C -4.880 7.173 -0.459 1.00 . A A . 1 ACE CH3 1 1
19 3531 1 1 1 ACE H1 H -5.660 7.393 0.293 1.00 . A A . 1 ACE H1 1 1
19 3532 1 1 1 ACE H2 H -4.226 8.062 -0.545 1.00 . A A . 1 ACE H2 1 1
19 3533 1 1 1 ACE H3 H -5.388 7.047 -1.433 1.00 . A A . 1 ACE H3 1 1
19 3534 1 1 1 ACE O O -4.084 4.941 -0.832 1.00 . A A . 1 ACE O 1 1
19 3535 1 1 2 ILE C C -3.434 3.906 2.505 1.00 . A A . 2 ILE C 1 1
19 3536 1 1 2 ILE CA C -2.587 4.870 1.608 1.00 . A A . 2 ILE CA 1 1
19 3537 1 1 2 ILE CB C -1.252 5.384 2.274 1.00 . A A . 2 ILE CB 1 1
19 3538 1 1 2 ILE CD1 C -2.194 6.644 4.388 1.00 . A A . 2 ILE CD1 1 1
19 3539 1 1 2 ILE CG1 C -1.289 6.679 3.149 1.00 . A A . 2 ILE CG1 1 1
19 3540 1 1 2 ILE CG2 C -0.136 5.549 1.212 1.00 . A A . 2 ILE CG2 1 1
19 3541 1 1 2 ILE H H -3.549 6.864 1.591 1.00 . A A . 2 ILE H 1 1
19 3542 1 1 2 ILE HA H -2.262 4.238 0.755 1.00 . A A . 2 ILE HA 1 1
19 3543 1 1 2 ILE HB H -0.899 4.575 2.937 1.00 . A A . 2 ILE HB 1 1
19 3544 1 1 2 ILE HD11 H -3.260 6.531 4.115 1.00 . A A . 2 ILE HD11 1 1
19 3545 1 1 2 ILE HD12 H -1.930 5.810 5.064 1.00 . A A . 2 ILE HD12 1 1
19 3546 1 1 2 ILE HD13 H -2.108 7.580 4.971 1.00 . A A . 2 ILE HD13 1 1
19 3547 1 1 2 ILE HG12 H -0.265 6.907 3.504 1.00 . A A . 2 ILE HG12 1 1
19 3548 1 1 2 ILE HG13 H -1.571 7.548 2.526 1.00 . A A . 2 ILE HG13 1 1
19 3549 1 1 2 ILE HG21 H 0.049 4.605 0.665 1.00 . A A . 2 ILE HG21 1 1
19 3550 1 1 2 ILE HG22 H -0.390 6.318 0.460 1.00 . A A . 2 ILE HG22 1 1
19 3551 1 1 2 ILE HG23 H 0.831 5.837 1.662 1.00 . A A . 2 ILE HG23 1 1
19 3552 1 1 2 ILE N N -3.423 5.990 1.073 1.00 . A A . 2 ILE N 1 1
19 3553 1 1 2 ILE O O -3.348 3.909 3.737 1.00 . A A . 2 ILE O 1 1
19 3554 1 1 3 TRP C C -4.832 0.724 1.786 1.00 . A A . 3 TRP C 1 1
19 3555 1 1 3 TRP CA C -5.132 2.066 2.502 1.00 . A A . 3 TRP CA 1 1
19 3556 1 1 3 TRP CB C -6.622 2.502 2.439 1.00 . A A . 3 TRP CB 1 1
19 3557 1 1 3 TRP CD1 C -6.772 5.064 3.004 1.00 . A A . 3 TRP CD1 1 1
19 3558 1 1 3 TRP CD2 C -7.451 3.705 4.631 1.00 . A A . 3 TRP CD2 1 1
19 3559 1 1 3 TRP CE2 C -7.542 5.053 5.065 1.00 . A A . 3 TRP CE2 1 1
19 3560 1 1 3 TRP CE3 C -7.793 2.644 5.508 1.00 . A A . 3 TRP CE3 1 1
19 3561 1 1 3 TRP CG C -6.970 3.704 3.333 1.00 . A A . 3 TRP CG 1 1
19 3562 1 1 3 TRP CH2 C -8.319 4.291 7.225 1.00 . A A . 3 TRP CH2 1 1
19 3563 1 1 3 TRP CZ2 C -7.980 5.347 6.378 1.00 . A A . 3 TRP CZ2 1 1
19 3564 1 1 3 TRP CZ3 C -8.227 2.960 6.797 1.00 . A A . 3 TRP CZ3 1 1
19 3565 1 1 3 TRP H H -4.261 3.178 0.837 1.00 . A A . 3 TRP H 1 1
19 3566 1 1 3 TRP HA H -4.850 1.977 3.561 1.00 . A A . 3 TRP HA 1 1
19 3567 1 1 3 TRP HB2 H -6.915 2.721 1.394 1.00 . A A . 3 TRP HB2 1 1
19 3568 1 1 3 TRP HB3 H -7.262 1.649 2.731 1.00 . A A . 3 TRP HB3 1 1
19 3569 1 1 3 TRP HD1 H -6.322 5.404 2.082 1.00 . A A . 3 TRP HD1 1 1
19 3570 1 1 3 TRP HE1 H -7.050 6.940 4.109 1.00 . A A . 3 TRP HE1 1 1
19 3571 1 1 3 TRP HE3 H -7.717 1.613 5.195 1.00 . A A . 3 TRP HE3 1 1
19 3572 1 1 3 TRP HH2 H -8.655 4.503 8.230 1.00 . A A . 3 TRP HH2 1 1
19 3573 1 1 3 TRP HZ2 H -8.047 6.369 6.722 1.00 . A A . 3 TRP HZ2 1 1
19 3574 1 1 3 TRP HZ3 H -8.491 2.164 7.478 1.00 . A A . 3 TRP HZ3 1 1
19 3575 1 1 3 TRP N N -4.249 3.062 1.848 1.00 . A A . 3 TRP N 1 1
19 3576 1 1 3 TRP NE1 N -7.127 5.918 4.065 1.00 . A A . 3 TRP NE1 1 1
19 3577 1 1 3 TRP O O -5.356 0.443 0.703 1.00 . A A . 3 TRP O 1 1
19 3578 1 1 4 GLY C C -2.083 -1.140 1.327 1.00 . A A . 4 GLY C 1 1
19 3579 1 1 4 GLY CA C -3.510 -1.381 1.854 1.00 . A A . 4 GLY CA 1 1
19 3580 1 1 4 GLY H H -3.591 0.283 3.295 1.00 . A A . 4 GLY H 1 1
19 3581 1 1 4 GLY HA2 H -3.545 -2.162 2.638 1.00 . A A . 4 GLY HA2 1 1
19 3582 1 1 4 GLY HA3 H -4.158 -1.747 1.036 1.00 . A A . 4 GLY HA3 1 1
19 3583 1 1 4 GLY N N -3.969 -0.092 2.419 1.00 . A A . 4 GLY N 1 1
19 3584 1 1 4 GLY O O -1.906 -0.427 0.334 1.00 . A A . 4 GLY O 1 1
19 3585 1 1 5 BCX C C 2.305 -2.437 0.210 1.00 . A A . 5 BCX C 1 1
19 3586 1 1 5 BCX CA C 0.344 -1.528 1.626 1.00 . A A . 5 BCX CA 1 1
19 3587 1 1 5 BCX CB C 1.132 -1.172 2.912 1.00 . A A . 5 BCX CB 1 1
19 3588 1 1 5 BCX CC C 0.930 -2.726 0.864 1.00 . A A . 5 BCX CC 1 1
19 3589 1 1 5 BCX H H -1.359 -2.240 2.837 1.00 . A A . 5 BCX H 1 1
19 3590 1 1 5 BCX HA H 0.447 -0.705 0.902 1.00 . A A . 5 BCX HA 1 1
19 3591 1 1 5 BCX HB2 H 1.393 -2.077 3.489 1.00 . A A . 5 BCX HB2 1 1
19 3592 1 1 5 BCX HB3 H 2.083 -0.671 2.656 1.00 . A A . 5 BCX HB3 1 1
19 3593 1 1 5 BCX HC1 H 0.234 -2.992 0.043 1.00 . A A . 5 BCX HC1 1 1
19 3594 1 1 5 BCX HC2 H 0.941 -3.616 1.523 1.00 . A A . 5 BCX HC2 1 1
19 3595 1 1 5 BCX N N -1.078 -1.726 1.996 1.00 . A A . 5 BCX N 1 1
19 3596 1 1 5 BCX O O 2.485 -1.446 -0.502 1.00 . A A . 5 BCX O 1 1
19 3597 1 1 5 BCX SG S 0.233 -0.092 4.045 1.00 . A A . 5 BCX SG 1 1
19 3598 1 1 6 SER C C 3.646 -4.434 -1.868 1.00 . A A . 6 SER C 1 1
19 3599 1 1 6 SER CA C 4.271 -3.660 -0.669 1.00 . A A . 6 SER CA 1 1
19 3600 1 1 6 SER CB C 5.467 -4.378 0.000 1.00 . A A . 6 SER CB 1 1
19 3601 1 1 6 SER H H 2.773 -4.168 0.879 1.00 . A A . 6 SER H 1 1
19 3602 1 1 6 SER HA H 4.670 -2.686 -1.022 1.00 . A A . 6 SER HA 1 1
19 3603 1 1 6 SER HB2 H 5.838 -3.801 0.869 1.00 . A A . 6 SER HB2 1 1
19 3604 1 1 6 SER HB3 H 5.176 -5.371 0.394 1.00 . A A . 6 SER HB3 1 1
19 3605 1 1 6 SER HG H 6.819 -3.657 -1.174 1.00 . A A . 6 SER HG 1 1
19 3606 1 1 6 SER N N 3.202 -3.415 0.343 1.00 . A A . 6 SER N 1 1
19 3607 1 1 6 SER O O 3.615 -5.669 -1.905 1.00 . A A . 6 SER O 1 1
19 3608 1 1 6 SER OG O 6.539 -4.541 -0.924 1.00 . A A . 6 SER OG 1 1
19 3609 1 1 7 GLY C C 1.345 -3.197 -4.485 1.00 . A A . 7 GLY C 1 1
19 3610 1 1 7 GLY CA C 2.433 -4.189 -4.021 1.00 . A A . 7 GLY CA 1 1
19 3611 1 1 7 GLY H H 3.115 -2.647 -2.613 1.00 . A A . 7 GLY H 1 1
19 3612 1 1 7 GLY HA2 H 3.161 -4.363 -4.835 1.00 . A A . 7 GLY HA2 1 1
19 3613 1 1 7 GLY HA3 H 1.961 -5.170 -3.816 1.00 . A A . 7 GLY HA3 1 1
19 3614 1 1 7 GLY N N 3.137 -3.654 -2.832 1.00 . A A . 7 GLY N 1 1
19 3615 1 1 7 GLY O O 1.316 -2.831 -5.662 1.00 . A A . 7 GLY O 1 1
19 3616 1 1 8 LYS C C -0.006 -0.365 -3.920 1.00 . A A . 8 LYS C 1 1
19 3617 1 1 8 LYS CA C -0.626 -1.798 -3.849 1.00 . A A . 8 LYS CA 1 1
19 3618 1 1 8 LYS CB C -1.755 -1.945 -2.781 1.00 . A A . 8 LYS CB 1 1
19 3619 1 1 8 LYS CD C -4.231 -1.302 -2.193 1.00 . A A . 8 LYS CD 1 1
19 3620 1 1 8 LYS CE C -4.800 -2.703 -1.895 1.00 . A A . 8 LYS CE 1 1
19 3621 1 1 8 LYS CG C -3.080 -1.273 -3.218 1.00 . A A . 8 LYS CG 1 1
19 3622 1 1 8 LYS H H 0.664 -3.043 -2.598 1.00 . A A . 8 LYS H 1 1
19 3623 1 1 8 LYS HA H -1.062 -2.038 -4.839 1.00 . A A . 8 LYS HA 1 1
19 3624 1 1 8 LYS HB2 H -1.944 -3.011 -2.551 1.00 . A A . 8 LYS HB2 1 1
19 3625 1 1 8 LYS HB3 H -1.416 -1.530 -1.809 1.00 . A A . 8 LYS HB3 1 1
19 3626 1 1 8 LYS HD2 H -3.904 -0.814 -1.257 1.00 . A A . 8 LYS HD2 1 1
19 3627 1 1 8 LYS HD3 H -5.041 -0.655 -2.582 1.00 . A A . 8 LYS HD3 1 1
19 3628 1 1 8 LYS HE2 H -5.074 -3.219 -2.835 1.00 . A A . 8 LYS HE2 1 1
19 3629 1 1 8 LYS HE3 H -4.036 -3.335 -1.406 1.00 . A A . 8 LYS HE3 1 1
19 3630 1 1 8 LYS HG2 H -2.878 -0.213 -3.463 1.00 . A A . 8 LYS HG2 1 1
19 3631 1 1 8 LYS HG3 H -3.429 -1.722 -4.168 1.00 . A A . 8 LYS HG3 1 1
19 3632 1 1 8 LYS HZ1 H -5.768 -2.081 -0.179 1.00 . A A . 8 LYS HZ1 1 1
19 3633 1 1 8 LYS HZ2 H -6.729 -2.084 -1.496 1.00 . A A . 8 LYS HZ2 1 1
19 3634 1 1 8 LYS N N 0.443 -2.782 -3.564 1.00 . A A . 8 LYS N 1 1
19 3635 1 1 8 LYS NZ N -5.988 -2.617 -1.027 1.00 . A A . 8 LYS NZ 1 1
19 3636 1 1 8 LYS O O 0.061 0.217 -5.006 1.00 . A A . 8 LYS O 1 1
19 3637 1 1 9 LEU C C 1.761 1.545 -1.278 1.00 . A A . 9 LEU C 1 1
19 3638 1 1 9 LEU CA C 1.067 1.518 -2.666 1.00 . A A . 9 LEU CA 1 1
19 3639 1 1 9 LEU CB C -0.060 2.581 -2.772 1.00 . A A . 9 LEU CB 1 1
19 3640 1 1 9 LEU CD1 C 1.260 4.551 -3.790 1.00 . A A . 9 LEU CD1 1 1
19 3641 1 1 9 LEU CD2 C -0.927 4.963 -2.598 1.00 . A A . 9 LEU CD2 1 1
19 3642 1 1 9 LEU CG C 0.334 4.080 -2.652 1.00 . A A . 9 LEU CG 1 1
19 3643 1 1 9 LEU H H 0.273 -0.358 -1.920 1.00 . A A . 9 LEU H 1 1
19 3644 1 1 9 LEU HA H 1.790 1.663 -3.493 1.00 . A A . 9 LEU HA 1 1
19 3645 1 1 9 LEU HB2 H -0.579 2.418 -3.735 1.00 . A A . 9 LEU HB2 1 1
19 3646 1 1 9 LEU HB3 H -0.812 2.330 -1.998 1.00 . A A . 9 LEU HB3 1 1
19 3647 1 1 9 LEU HD11 H 0.796 4.420 -4.785 1.00 . A A . 9 LEU HD11 1 1
19 3648 1 1 9 LEU HD12 H 1.523 5.621 -3.687 1.00 . A A . 9 LEU HD12 1 1
19 3649 1 1 9 LEU HD13 H 2.216 3.994 -3.797 1.00 . A A . 9 LEU HD13 1 1
19 3650 1 1 9 LEU HD21 H -1.578 4.684 -1.750 1.00 . A A . 9 LEU HD21 1 1
19 3651 1 1 9 LEU HD22 H -0.674 6.031 -2.463 1.00 . A A . 9 LEU HD22 1 1
19 3652 1 1 9 LEU HD23 H -1.535 4.882 -3.519 1.00 . A A . 9 LEU HD23 1 1
19 3653 1 1 9 LEU HG H 0.868 4.230 -1.694 1.00 . A A . 9 LEU HG 1 1
19 3654 1 1 9 LEU N N 0.462 0.175 -2.774 1.00 . A A . 9 LEU N 1 1
19 3655 1 1 9 LEU O O 1.079 1.445 -0.250 1.00 . A A . 9 LEU O 1 1
19 3656 1 1 10 ILE C C 3.334 2.824 1.041 1.00 . A A . 10 ILE C 1 1
19 3657 1 1 10 ILE CA C 3.882 1.750 0.044 1.00 . A A . 10 ILE CA 1 1
19 3658 1 1 10 ILE CB C 5.428 1.892 -0.185 1.00 . A A . 10 ILE CB 1 1
19 3659 1 1 10 ILE CD1 C 7.302 3.632 -0.684 1.00 . A A . 10 ILE CD1 1 1
19 3660 1 1 10 ILE CG1 C 5.866 3.170 -0.966 1.00 . A A . 10 ILE CG1 1 1
19 3661 1 1 10 ILE CG2 C 6.038 0.612 -0.811 1.00 . A A . 10 ILE CG2 1 1
19 3662 1 1 10 ILE H H 3.574 1.633 -2.143 1.00 . A A . 10 ILE H 1 1
19 3663 1 1 10 ILE HA H 3.731 0.757 0.516 1.00 . A A . 10 ILE HA 1 1
19 3664 1 1 10 ILE HB H 5.878 1.962 0.824 1.00 . A A . 10 ILE HB 1 1
19 3665 1 1 10 ILE HD11 H 7.457 3.835 0.391 1.00 . A A . 10 ILE HD11 1 1
19 3666 1 1 10 ILE HD12 H 8.049 2.878 -0.993 1.00 . A A . 10 ILE HD12 1 1
19 3667 1 1 10 ILE HD13 H 7.531 4.568 -1.227 1.00 . A A . 10 ILE HD13 1 1
19 3668 1 1 10 ILE HG12 H 5.723 3.026 -2.054 1.00 . A A . 10 ILE HG12 1 1
19 3669 1 1 10 ILE HG13 H 5.204 4.017 -0.710 1.00 . A A . 10 ILE HG13 1 1
19 3670 1 1 10 ILE HG21 H 7.142 0.658 -0.854 1.00 . A A . 10 ILE HG21 1 1
19 3671 1 1 10 ILE HG22 H 5.783 -0.291 -0.225 1.00 . A A . 10 ILE HG22 1 1
19 3672 1 1 10 ILE HG23 H 5.678 0.441 -1.843 1.00 . A A . 10 ILE HG23 1 1
19 3673 1 1 10 ILE N N 3.101 1.704 -1.237 1.00 . A A . 10 ILE N 1 1
19 3674 1 1 10 ILE O O 3.049 3.959 0.641 1.00 . A A . 10 ILE O 1 1
19 3675 1 1 11 CYS C C 3.682 3.710 4.411 1.00 . A A . 11 CYS C 1 1
19 3676 1 1 11 CYS CA C 2.611 3.337 3.356 1.00 . A A . 11 CYS CA 1 1
19 3677 1 1 11 CYS CB C 1.296 2.780 3.936 1.00 . A A . 11 CYS CB 1 1
19 3678 1 1 11 CYS H H 3.742 1.632 2.576 1.00 . A A . 11 CYS H 1 1
19 3679 1 1 11 CYS HA H 2.261 4.253 2.862 1.00 . A A . 11 CYS HA 1 1
19 3680 1 1 11 CYS HB2 H 0.835 3.518 4.619 1.00 . A A . 11 CYS HB2 1 1
19 3681 1 1 11 CYS HB3 H 0.556 2.620 3.129 1.00 . A A . 11 CYS HB3 1 1
19 3682 1 1 11 CYS N N 3.161 2.434 2.319 1.00 . A A . 11 CYS N 1 1
19 3683 1 1 11 CYS O O 3.842 3.031 5.431 1.00 . A A . 11 CYS O 1 1
19 3684 1 1 11 CYS SG S 1.500 1.233 4.829 1.00 . A A . 11 CYS SG 1 1
19 3685 1 1 12 THR C C 4.847 6.194 6.171 1.00 . A A . 12 THR C 1 1
19 3686 1 1 12 THR CA C 5.480 5.320 5.049 1.00 . A A . 12 THR CA 1 1
19 3687 1 1 12 THR CB C 6.587 6.089 4.269 1.00 . A A . 12 THR CB 1 1
19 3688 1 1 12 THR CG2 C 7.394 5.235 3.275 1.00 . A A . 12 THR CG2 1 1
19 3689 1 1 12 THR H H 4.279 5.216 3.222 1.00 . A A . 12 THR H 1 1
19 3690 1 1 12 THR HA H 5.985 4.443 5.495 1.00 . A A . 12 THR HA 1 1
19 3691 1 1 12 THR HB H 7.308 6.485 5.009 1.00 . A A . 12 THR HB 1 1
19 3692 1 1 12 THR HG1 H 5.404 7.595 4.177 1.00 . A A . 12 THR HG1 1 1
19 3693 1 1 12 THR HG21 H 7.886 4.380 3.775 1.00 . A A . 12 THR HG21 1 1
19 3694 1 1 12 THR HG22 H 6.753 4.825 2.474 1.00 . A A . 12 THR HG22 1 1
19 3695 1 1 12 THR HG23 H 8.188 5.830 2.788 1.00 . A A . 12 THR HG23 1 1
19 3696 1 1 12 THR N N 4.409 4.813 4.151 1.00 . A A . 12 THR N 1 1
19 3697 1 1 12 THR O O 4.488 7.355 5.947 1.00 . A A . 12 THR O 1 1
19 3698 1 1 12 THR OG1 O 6.032 7.197 3.566 1.00 . A A . 12 THR OG1 1 1
19 3699 1 1 13 THR C C 4.944 5.873 9.792 1.00 . A A . 13 THR C 1 1
19 3700 1 1 13 THR CA C 4.104 6.284 8.549 1.00 . A A . 13 THR CA 1 1
19 3701 1 1 13 THR CB C 2.592 5.933 8.710 1.00 . A A . 13 THR CB 1 1
19 3702 1 1 13 THR CG2 C 1.659 6.660 7.727 1.00 . A A . 13 THR CG2 1 1
19 3703 1 1 13 THR H H 5.012 4.636 7.434 1.00 . A A . 13 THR H 1 1
19 3704 1 1 13 THR HA H 4.168 7.386 8.434 1.00 . A A . 13 THR HA 1 1
19 3705 1 1 13 THR HB H 2.293 6.232 9.728 1.00 . A A . 13 THR HB 1 1
19 3706 1 1 13 THR HG1 H 2.663 4.306 7.697 1.00 . A A . 13 THR HG1 1 1
19 3707 1 1 13 THR HG21 H 1.862 6.377 6.677 1.00 . A A . 13 THR HG21 1 1
19 3708 1 1 13 THR HG22 H 0.598 6.420 7.929 1.00 . A A . 13 THR HG22 1 1
19 3709 1 1 13 THR HG23 H 1.763 7.758 7.799 1.00 . A A . 13 THR HG23 1 1
19 3710 1 1 13 THR N N 4.704 5.609 7.372 1.00 . A A . 13 THR N 1 1
19 3711 1 1 13 THR O O 4.803 4.766 10.323 1.00 . A A . 13 THR O 1 1
19 3712 1 1 13 THR OG1 O 2.358 4.532 8.580 1.00 . A A . 13 THR OG1 1 1
19 3713 1 1 14 ALA C C 6.927 7.887 12.160 1.00 . A A . 14 ALA C 1 1
19 3714 1 1 14 ALA CA C 6.714 6.559 11.404 1.00 . A A . 14 ALA CA 1 1
19 3715 1 1 14 ALA CB C 8.040 5.898 10.974 1.00 . A A . 14 ALA CB 1 1
19 3716 1 1 14 ALA H H 5.853 7.640 9.670 1.00 . A A . 14 ALA H 1 1
19 3717 1 1 14 ALA HXT H 7.928 8.462 10.594 1.00 . A A . 14 ALA HXT 1 1
19 3718 1 1 14 ALA HA H 6.219 5.869 12.118 1.00 . A A . 14 ALA HA 1 1
19 3719 1 1 14 ALA HB1 H 8.704 5.718 11.840 1.00 . A A . 14 ALA HB1 1 1
19 3720 1 1 14 ALA HB2 H 7.866 4.914 10.498 1.00 . A A . 14 ALA HB2 1 1
19 3721 1 1 14 ALA HB3 H 8.606 6.513 10.249 1.00 . A A . 14 ALA HB3 1 1
19 3722 1 1 14 ALA N N 5.831 6.783 10.232 1.00 . A A . 14 ALA N 1 1
19 3723 1 1 14 ALA O O 6.479 8.092 13.289 1.00 . A A . 14 ALA O 1 1
19 3724 1 1 14 ALA OXT O 7.659 8.807 11.448 1.00 . A A . 14 ALA OXT 1 1
20 3725 1 1 1 ACE C C 0.067 -6.288 -1.685 1.00 . A A . 1 ACE C 1 1
20 3726 1 1 1 ACE CH3 C 1.227 -7.167 -1.233 1.00 . A A . 1 ACE CH3 1 1
20 3727 1 1 1 ACE H1 H 1.844 -6.647 -0.477 1.00 . A A . 1 ACE H1 1 1
20 3728 1 1 1 ACE H2 H 0.879 -8.111 -0.772 1.00 . A A . 1 ACE H2 1 1
20 3729 1 1 1 ACE H3 H 1.890 -7.421 -2.080 1.00 . A A . 1 ACE H3 1 1
20 3730 1 1 1 ACE O O 0.032 -5.095 -1.375 1.00 . A A . 1 ACE O 1 1
20 3731 1 1 2 ILE C C -3.267 -6.426 -1.927 1.00 . A A . 2 ILE C 1 1
20 3732 1 1 2 ILE CA C -2.089 -6.216 -2.933 1.00 . A A . 2 ILE CA 1 1
20 3733 1 1 2 ILE CB C -2.409 -6.581 -4.419 1.00 . A A . 2 ILE CB 1 1
20 3734 1 1 2 ILE CD1 C -4.283 -8.289 -4.931 1.00 . A A . 2 ILE CD1 1 1
20 3735 1 1 2 ILE CG1 C -2.778 -8.067 -4.720 1.00 . A A . 2 ILE CG1 1 1
20 3736 1 1 2 ILE CG2 C -1.321 -6.069 -5.396 1.00 . A A . 2 ILE CG2 1 1
20 3737 1 1 2 ILE H H -0.785 -7.919 -2.482 1.00 . A A . 2 ILE H 1 1
20 3738 1 1 2 ILE HA H -1.867 -5.131 -2.983 1.00 . A A . 2 ILE HA 1 1
20 3739 1 1 2 ILE HB H -3.293 -5.965 -4.652 1.00 . A A . 2 ILE HB 1 1
20 3740 1 1 2 ILE HD11 H -4.511 -9.357 -5.090 1.00 . A A . 2 ILE HD11 1 1
20 3741 1 1 2 ILE HD12 H -4.880 -7.954 -4.064 1.00 . A A . 2 ILE HD12 1 1
20 3742 1 1 2 ILE HD13 H -4.651 -7.728 -5.808 1.00 . A A . 2 ILE HD13 1 1
20 3743 1 1 2 ILE HG12 H -2.256 -8.440 -5.622 1.00 . A A . 2 ILE HG12 1 1
20 3744 1 1 2 ILE HG13 H -2.424 -8.729 -3.908 1.00 . A A . 2 ILE HG13 1 1
20 3745 1 1 2 ILE HG21 H -1.626 -6.195 -6.451 1.00 . A A . 2 ILE HG21 1 1
20 3746 1 1 2 ILE HG22 H -1.113 -4.991 -5.254 1.00 . A A . 2 ILE HG22 1 1
20 3747 1 1 2 ILE HG23 H -0.362 -6.604 -5.266 1.00 . A A . 2 ILE HG23 1 1
20 3748 1 1 2 ILE N N -0.881 -6.906 -2.406 1.00 . A A . 2 ILE N 1 1
20 3749 1 1 2 ILE O O -3.926 -7.467 -1.865 1.00 . A A . 2 ILE O 1 1
20 3750 1 1 3 TRP C C -4.752 -3.890 0.564 1.00 . A A . 3 TRP C 1 1
20 3751 1 1 3 TRP CA C -4.490 -5.317 -0.028 1.00 . A A . 3 TRP CA 1 1
20 3752 1 1 3 TRP CB C -4.178 -6.323 1.125 1.00 . A A . 3 TRP CB 1 1
20 3753 1 1 3 TRP CD1 C -1.616 -6.800 1.364 1.00 . A A . 3 TRP CD1 1 1
20 3754 1 1 3 TRP CD2 C -2.441 -5.443 2.922 1.00 . A A . 3 TRP CD2 1 1
20 3755 1 1 3 TRP CE2 C -1.041 -5.582 3.103 1.00 . A A . 3 TRP CE2 1 1
20 3756 1 1 3 TRP CE3 C -3.193 -4.590 3.771 1.00 . A A . 3 TRP CE3 1 1
20 3757 1 1 3 TRP CG C -2.807 -6.201 1.822 1.00 . A A . 3 TRP CG 1 1
20 3758 1 1 3 TRP CH2 C -1.141 -4.037 4.962 1.00 . A A . 3 TRP CH2 1 1
20 3759 1 1 3 TRP CZ2 C -0.384 -4.869 4.134 1.00 . A A . 3 TRP CZ2 1 1
20 3760 1 1 3 TRP CZ3 C -2.523 -3.898 4.782 1.00 . A A . 3 TRP CZ3 1 1
20 3761 1 1 3 TRP H H -2.684 -4.753 -1.140 1.00 . A A . 3 TRP H 1 1
20 3762 1 1 3 TRP HA H -5.439 -5.606 -0.490 1.00 . A A . 3 TRP HA 1 1
20 3763 1 1 3 TRP HB2 H -4.978 -6.263 1.882 1.00 . A A . 3 TRP HB2 1 1
20 3764 1 1 3 TRP HB3 H -4.263 -7.347 0.718 1.00 . A A . 3 TRP HB3 1 1
20 3765 1 1 3 TRP HD1 H -1.559 -7.402 0.466 1.00 . A A . 3 TRP HD1 1 1
20 3766 1 1 3 TRP HE1 H 0.476 -6.690 2.012 1.00 . A A . 3 TRP HE1 1 1
20 3767 1 1 3 TRP HE3 H -4.257 -4.462 3.633 1.00 . A A . 3 TRP HE3 1 1
20 3768 1 1 3 TRP HH2 H -0.650 -3.485 5.750 1.00 . A A . 3 TRP HH2 1 1
20 3769 1 1 3 TRP HZ2 H 0.684 -4.957 4.275 1.00 . A A . 3 TRP HZ2 1 1
20 3770 1 1 3 TRP HZ3 H -3.080 -3.240 5.432 1.00 . A A . 3 TRP HZ3 1 1
20 3771 1 1 3 TRP N N -3.469 -5.389 -1.111 1.00 . A A . 3 TRP N 1 1
20 3772 1 1 3 TRP NE1 N -0.506 -6.428 2.144 1.00 . A A . 3 TRP NE1 1 1
20 3773 1 1 3 TRP O O -5.862 -3.602 1.019 1.00 . A A . 3 TRP O 1 1
20 3774 1 1 4 GLY C C -2.346 -1.085 1.061 1.00 . A A . 4 GLY C 1 1
20 3775 1 1 4 GLY CA C -3.771 -1.670 1.150 1.00 . A A . 4 GLY CA 1 1
20 3776 1 1 4 GLY H H -2.913 -3.373 0.054 1.00 . A A . 4 GLY H 1 1
20 3777 1 1 4 GLY HA2 H -4.485 -1.041 0.585 1.00 . A A . 4 GLY HA2 1 1
20 3778 1 1 4 GLY HA3 H -4.121 -1.690 2.201 1.00 . A A . 4 GLY HA3 1 1
20 3779 1 1 4 GLY N N -3.724 -3.035 0.583 1.00 . A A . 4 GLY N 1 1
20 3780 1 1 4 GLY O O -2.130 -0.106 0.344 1.00 . A A . 4 GLY O 1 1
20 3781 1 1 5 BCX C C 2.161 -2.068 0.534 1.00 . A A . 5 BCX C 1 1
20 3782 1 1 5 BCX CA C 0.031 -1.302 1.765 1.00 . A A . 5 BCX CA 1 1
20 3783 1 1 5 BCX CB C 0.546 -0.914 3.167 1.00 . A A . 5 BCX CB 1 1
20 3784 1 1 5 BCX CC C 0.801 -2.473 1.132 1.00 . A A . 5 BCX CC 1 1
20 3785 1 1 5 BCX H H -1.730 -2.498 2.344 1.00 . A A . 5 BCX H 1 1
20 3786 1 1 5 BCX HA H 0.202 -0.467 1.069 1.00 . A A . 5 BCX HA 1 1
20 3787 1 1 5 BCX HB2 H 0.347 -1.709 3.912 1.00 . A A . 5 BCX HB2 1 1
20 3788 1 1 5 BCX HB3 H 1.644 -0.777 3.163 1.00 . A A . 5 BCX HB3 1 1
20 3789 1 1 5 BCX HC1 H 0.219 -2.885 0.281 1.00 . A A . 5 BCX HC1 1 1
20 3790 1 1 5 BCX HC2 H 0.866 -3.313 1.851 1.00 . A A . 5 BCX HC2 1 1
20 3791 1 1 5 BCX N N -1.396 -1.690 1.805 1.00 . A A . 5 BCX N 1 1
20 3792 1 1 5 BCX O O 2.264 -1.115 -0.237 1.00 . A A . 5 BCX O 1 1
20 3793 1 1 5 BCX SG S -0.238 0.630 3.681 1.00 . A A . 5 BCX SG 1 1
20 3794 1 1 6 SER C C 3.803 -3.984 -1.387 1.00 . A A . 6 SER C 1 1
20 3795 1 1 6 SER CA C 4.282 -3.105 -0.189 1.00 . A A . 6 SER CA 1 1
20 3796 1 1 6 SER CB C 5.493 -3.645 0.601 1.00 . A A . 6 SER CB 1 1
20 3797 1 1 6 SER H H 2.787 -3.683 1.352 1.00 . A A . 6 SER H 1 1
20 3798 1 1 6 SER HA H 4.599 -2.112 -0.571 1.00 . A A . 6 SER HA 1 1
20 3799 1 1 6 SER HB2 H 5.760 -2.941 1.415 1.00 . A A . 6 SER HB2 1 1
20 3800 1 1 6 SER HB3 H 5.259 -4.606 1.097 1.00 . A A . 6 SER HB3 1 1
20 3801 1 1 6 SER HG H 7.327 -4.156 0.294 1.00 . A A . 6 SER HG 1 1
20 3802 1 1 6 SER N N 3.145 -2.932 0.762 1.00 . A A . 6 SER N 1 1
20 3803 1 1 6 SER O O 3.956 -5.209 -1.406 1.00 . A A . 6 SER O 1 1
20 3804 1 1 6 SER OG O 6.621 -3.800 -0.251 1.00 . A A . 6 SER OG 1 1
20 3805 1 1 7 GLY C C 1.466 -3.058 -4.154 1.00 . A A . 7 GLY C 1 1
20 3806 1 1 7 GLY CA C 2.607 -3.932 -3.576 1.00 . A A . 7 GLY CA 1 1
20 3807 1 1 7 GLY H H 3.092 -2.292 -2.191 1.00 . A A . 7 GLY H 1 1
20 3808 1 1 7 GLY HA2 H 3.391 -4.083 -4.341 1.00 . A A . 7 GLY HA2 1 1
20 3809 1 1 7 GLY HA3 H 2.206 -4.938 -3.347 1.00 . A A . 7 GLY HA3 1 1
20 3810 1 1 7 GLY N N 3.204 -3.299 -2.375 1.00 . A A . 7 GLY N 1 1
20 3811 1 1 7 GLY O O 1.460 -2.777 -5.355 1.00 . A A . 7 GLY O 1 1
20 3812 1 1 8 LYS C C -0.141 -0.303 -3.903 1.00 . A A . 8 LYS C 1 1
20 3813 1 1 8 LYS CA C -0.640 -1.773 -3.691 1.00 . A A . 8 LYS CA 1 1
20 3814 1 1 8 LYS CB C -1.728 -1.917 -2.576 1.00 . A A . 8 LYS CB 1 1
20 3815 1 1 8 LYS CD C -3.936 -1.676 -4.000 1.00 . A A . 8 LYS CD 1 1
20 3816 1 1 8 LYS CE C -4.548 -3.072 -3.790 1.00 . A A . 8 LYS CE 1 1
20 3817 1 1 8 LYS CG C -3.069 -1.181 -2.822 1.00 . A A . 8 LYS CG 1 1
20 3818 1 1 8 LYS H H 0.667 -2.877 -2.321 1.00 . A A . 8 LYS H 1 1
20 3819 1 1 8 LYS HA H -1.065 -2.142 -4.643 1.00 . A A . 8 LYS HA 1 1
20 3820 1 1 8 LYS HB2 H -1.936 -2.979 -2.357 1.00 . A A . 8 LYS HB2 1 1
20 3821 1 1 8 LYS HB3 H -1.309 -1.548 -1.617 1.00 . A A . 8 LYS HB3 1 1
20 3822 1 1 8 LYS HD2 H -4.754 -0.944 -4.152 1.00 . A A . 8 LYS HD2 1 1
20 3823 1 1 8 LYS HD3 H -3.347 -1.647 -4.936 1.00 . A A . 8 LYS HD3 1 1
20 3824 1 1 8 LYS HE2 H -3.750 -3.824 -3.668 1.00 . A A . 8 LYS HE2 1 1
20 3825 1 1 8 LYS HE3 H -5.144 -3.099 -2.857 1.00 . A A . 8 LYS HE3 1 1
20 3826 1 1 8 LYS HG2 H -3.673 -1.222 -1.896 1.00 . A A . 8 LYS HG2 1 1
20 3827 1 1 8 LYS HG3 H -2.863 -0.103 -2.963 1.00 . A A . 8 LYS HG3 1 1
20 3828 1 1 8 LYS HZ1 H -4.854 -3.493 -5.791 1.00 . A A . 8 LYS HZ1 1 1
20 3829 1 1 8 LYS HZ2 H -5.771 -4.408 -4.791 1.00 . A A . 8 LYS HZ2 1 1
20 3830 1 1 8 LYS N N 0.496 -2.649 -3.305 1.00 . A A . 8 LYS N 1 1
20 3831 1 1 8 LYS NZ N -5.404 -3.459 -4.925 1.00 . A A . 8 LYS NZ 1 1
20 3832 1 1 8 LYS O O -0.134 0.199 -5.030 1.00 . A A . 8 LYS O 1 1
20 3833 1 1 9 LEU C C 1.713 1.704 -1.529 1.00 . A A . 9 LEU C 1 1
20 3834 1 1 9 LEU CA C 0.791 1.739 -2.778 1.00 . A A . 9 LEU CA 1 1
20 3835 1 1 9 LEU CB C -0.425 2.691 -2.638 1.00 . A A . 9 LEU CB 1 1
20 3836 1 1 9 LEU CD1 C -1.502 4.961 -3.006 1.00 . A A . 9 LEU CD1 1 1
20 3837 1 1 9 LEU CD2 C 0.562 4.848 -1.578 1.00 . A A . 9 LEU CD2 1 1
20 3838 1 1 9 LEU CG C -0.169 4.218 -2.782 1.00 . A A . 9 LEU CG 1 1
20 3839 1 1 9 LEU H H 0.121 -0.125 -1.918 1.00 . A A . 9 LEU H 1 1
20 3840 1 1 9 LEU HA H 1.340 1.969 -3.714 1.00 . A A . 9 LEU HA 1 1
20 3841 1 1 9 LEU HB2 H -1.141 2.387 -3.427 1.00 . A A . 9 LEU HB2 1 1
20 3842 1 1 9 LEU HB3 H -0.947 2.466 -1.686 1.00 . A A . 9 LEU HB3 1 1
20 3843 1 1 9 LEU HD11 H -2.190 4.848 -2.146 1.00 . A A . 9 LEU HD11 1 1
20 3844 1 1 9 LEU HD12 H -1.347 6.045 -3.162 1.00 . A A . 9 LEU HD12 1 1
20 3845 1 1 9 LEU HD13 H -2.033 4.587 -3.902 1.00 . A A . 9 LEU HD13 1 1
20 3846 1 1 9 LEU HD21 H 0.663 5.944 -1.684 1.00 . A A . 9 LEU HD21 1 1
20 3847 1 1 9 LEU HD22 H 0.034 4.658 -0.624 1.00 . A A . 9 LEU HD22 1 1
20 3848 1 1 9 LEU HD23 H 1.589 4.458 -1.465 1.00 . A A . 9 LEU HD23 1 1
20 3849 1 1 9 LEU HG H 0.452 4.384 -3.684 1.00 . A A . 9 LEU HG 1 1
20 3850 1 1 9 LEU N N 0.281 0.354 -2.807 1.00 . A A . 9 LEU N 1 1
20 3851 1 1 9 LEU O O 1.206 1.548 -0.411 1.00 . A A . 9 LEU O 1 1
20 3852 1 1 10 ILE C C 3.720 2.691 0.652 1.00 . A A . 10 ILE C 1 1
20 3853 1 1 10 ILE CA C 4.045 1.788 -0.588 1.00 . A A . 10 ILE CA 1 1
20 3854 1 1 10 ILE CB C 5.536 1.870 -1.091 1.00 . A A . 10 ILE CB 1 1
20 3855 1 1 10 ILE CD1 C 6.601 0.094 0.508 1.00 . A A . 10 ILE CD1 1 1
20 3856 1 1 10 ILE CG1 C 6.611 1.543 -0.011 1.00 . A A . 10 ILE CG1 1 1
20 3857 1 1 10 ILE CG2 C 5.892 3.212 -1.780 1.00 . A A . 10 ILE CG2 1 1
20 3858 1 1 10 ILE H H 3.302 1.986 -2.688 1.00 . A A . 10 ILE H 1 1
20 3859 1 1 10 ILE HA H 3.958 0.740 -0.243 1.00 . A A . 10 ILE HA 1 1
20 3860 1 1 10 ILE HB H 5.678 1.085 -1.859 1.00 . A A . 10 ILE HB 1 1
20 3861 1 1 10 ILE HD11 H 5.664 -0.155 1.038 1.00 . A A . 10 ILE HD11 1 1
20 3862 1 1 10 ILE HD12 H 6.723 -0.635 -0.315 1.00 . A A . 10 ILE HD12 1 1
20 3863 1 1 10 ILE HD13 H 7.429 -0.079 1.219 1.00 . A A . 10 ILE HD13 1 1
20 3864 1 1 10 ILE HG12 H 7.621 1.731 -0.425 1.00 . A A . 10 ILE HG12 1 1
20 3865 1 1 10 ILE HG13 H 6.523 2.240 0.844 1.00 . A A . 10 ILE HG13 1 1
20 3866 1 1 10 ILE HG21 H 6.905 3.188 -2.224 1.00 . A A . 10 ILE HG21 1 1
20 3867 1 1 10 ILE HG22 H 5.194 3.451 -2.604 1.00 . A A . 10 ILE HG22 1 1
20 3868 1 1 10 ILE HG23 H 5.867 4.063 -1.074 1.00 . A A . 10 ILE HG23 1 1
20 3869 1 1 10 ILE N N 3.042 1.854 -1.707 1.00 . A A . 10 ILE N 1 1
20 3870 1 1 10 ILE O O 3.898 3.912 0.638 1.00 . A A . 10 ILE O 1 1
20 3871 1 1 11 CYS C C 3.039 1.722 4.225 1.00 . A A . 11 CYS C 1 1
20 3872 1 1 11 CYS CA C 2.835 2.661 2.994 1.00 . A A . 11 CYS CA 1 1
20 3873 1 1 11 CYS CB C 1.408 3.251 2.865 1.00 . A A . 11 CYS CB 1 1
20 3874 1 1 11 CYS H H 3.091 1.026 1.521 1.00 . A A . 11 CYS H 1 1
20 3875 1 1 11 CYS HA H 3.504 3.519 3.172 1.00 . A A . 11 CYS HA 1 1
20 3876 1 1 11 CYS HB2 H 1.094 3.718 3.813 1.00 . A A . 11 CYS HB2 1 1
20 3877 1 1 11 CYS HB3 H 1.421 4.069 2.119 1.00 . A A . 11 CYS HB3 1 1
20 3878 1 1 11 CYS N N 3.219 2.024 1.709 1.00 . A A . 11 CYS N 1 1
20 3879 1 1 11 CYS O O 2.142 1.558 5.059 1.00 . A A . 11 CYS O 1 1
20 3880 1 1 11 CYS SG S 0.132 2.074 2.336 1.00 . A A . 11 CYS SG 1 1
20 3881 1 1 12 THR C C 5.313 1.028 6.623 1.00 . A A . 12 THR C 1 1
20 3882 1 1 12 THR CA C 4.600 0.235 5.493 1.00 . A A . 12 THR CA 1 1
20 3883 1 1 12 THR CB C 5.450 -0.981 5.014 1.00 . A A . 12 THR CB 1 1
20 3884 1 1 12 THR CG2 C 4.713 -1.937 4.059 1.00 . A A . 12 THR CG2 1 1
20 3885 1 1 12 THR H H 4.906 1.304 3.613 1.00 . A A . 12 THR H 1 1
20 3886 1 1 12 THR HA H 3.666 -0.197 5.881 1.00 . A A . 12 THR HA 1 1
20 3887 1 1 12 THR HB H 5.726 -1.578 5.905 1.00 . A A . 12 THR HB 1 1
20 3888 1 1 12 THR HG1 H 7.080 0.041 5.013 1.00 . A A . 12 THR HG1 1 1
20 3889 1 1 12 THR HG21 H 3.776 -2.320 4.504 1.00 . A A . 12 THR HG21 1 1
20 3890 1 1 12 THR HG22 H 4.449 -1.443 3.106 1.00 . A A . 12 THR HG22 1 1
20 3891 1 1 12 THR HG23 H 5.338 -2.815 3.812 1.00 . A A . 12 THR HG23 1 1
20 3892 1 1 12 THR N N 4.254 1.154 4.380 1.00 . A A . 12 THR N 1 1
20 3893 1 1 12 THR O O 6.440 1.501 6.444 1.00 . A A . 12 THR O 1 1
20 3894 1 1 12 THR OG1 O 6.658 -0.555 4.387 1.00 . A A . 12 THR OG1 1 1
20 3895 1 1 13 THR C C 4.707 1.095 10.198 1.00 . A A . 13 THR C 1 1
20 3896 1 1 13 THR CA C 5.177 1.898 8.953 1.00 . A A . 13 THR CA 1 1
20 3897 1 1 13 THR CB C 4.722 3.380 9.040 1.00 . A A . 13 THR CB 1 1
20 3898 1 1 13 THR CG2 C 5.486 4.226 10.074 1.00 . A A . 13 THR CG2 1 1
20 3899 1 1 13 THR H H 3.751 0.660 7.833 1.00 . A A . 13 THR H 1 1
20 3900 1 1 13 THR HA H 6.287 1.906 8.889 1.00 . A A . 13 THR HA 1 1
20 3901 1 1 13 THR HB H 3.663 3.370 9.331 1.00 . A A . 13 THR HB 1 1
20 3902 1 1 13 THR HG1 H 4.436 3.466 7.137 1.00 . A A . 13 THR HG1 1 1
20 3903 1 1 13 THR HG21 H 5.387 3.819 11.097 1.00 . A A . 13 THR HG21 1 1
20 3904 1 1 13 THR HG22 H 6.565 4.285 9.841 1.00 . A A . 13 THR HG22 1 1
20 3905 1 1 13 THR HG23 H 5.103 5.263 10.102 1.00 . A A . 13 THR HG23 1 1
20 3906 1 1 13 THR N N 4.633 1.176 7.773 1.00 . A A . 13 THR N 1 1
20 3907 1 1 13 THR O O 3.514 0.968 10.497 1.00 . A A . 13 THR O 1 1
20 3908 1 1 13 THR OG1 O 4.857 4.040 7.783 1.00 . A A . 13 THR OG1 1 1
20 3909 1 1 14 ALA C C 5.350 0.656 13.410 1.00 . A A . 14 ALA C 1 1
20 3910 1 1 14 ALA CA C 5.507 -0.224 12.147 1.00 . A A . 14 ALA CA 1 1
20 3911 1 1 14 ALA CB C 6.671 -1.223 12.281 1.00 . A A . 14 ALA CB 1 1
20 3912 1 1 14 ALA H H 6.593 0.794 10.463 1.00 . A A . 14 ALA H 1 1
20 3913 1 1 14 ALA HXT H 7.101 1.374 12.959 1.00 . A A . 14 ALA HXT 1 1
20 3914 1 1 14 ALA HA H 4.583 -0.827 12.047 1.00 . A A . 14 ALA HA 1 1
20 3915 1 1 14 ALA HB1 H 6.546 -1.873 13.167 1.00 . A A . 14 ALA HB1 1 1
20 3916 1 1 14 ALA HB2 H 6.736 -1.896 11.404 1.00 . A A . 14 ALA HB2 1 1
20 3917 1 1 14 ALA HB3 H 7.653 -0.721 12.382 1.00 . A A . 14 ALA HB3 1 1
20 3918 1 1 14 ALA N N 5.703 0.582 10.916 1.00 . A A . 14 ALA N 1 1
20 3919 1 1 14 ALA O O 4.355 0.614 14.132 1.00 . A A . 14 ALA O 1 1
20 3920 1 1 14 ALA OXT O 6.429 1.479 13.634 1.00 . A A . 14 ALA OXT 1 1
21 3921 1 1 1 ACE C C -2.549 -8.090 -1.876 1.00 . A A . 1 ACE C 1 1
21 3922 1 1 1 ACE CH3 C -2.895 -9.575 -1.832 1.00 . A A . 1 ACE CH3 1 1
21 3923 1 1 1 ACE H1 H -2.331 -10.090 -1.032 1.00 . A A . 1 ACE H1 1 1
21 3924 1 1 1 ACE H2 H -3.970 -9.733 -1.629 1.00 . A A . 1 ACE H2 1 1
21 3925 1 1 1 ACE H3 H -2.647 -10.077 -2.785 1.00 . A A . 1 ACE H3 1 1
21 3926 1 1 1 ACE O O -1.744 -7.610 -1.072 1.00 . A A . 1 ACE O 1 1
21 3927 1 1 2 ILE C C -4.042 -5.075 -2.243 1.00 . A A . 2 ILE C 1 1
21 3928 1 1 2 ILE CA C -2.972 -5.912 -3.019 1.00 . A A . 2 ILE CA 1 1
21 3929 1 1 2 ILE CB C -2.829 -5.554 -4.547 1.00 . A A . 2 ILE CB 1 1
21 3930 1 1 2 ILE CD1 C -5.308 -5.898 -5.409 1.00 . A A . 2 ILE CD1 1 1
21 3931 1 1 2 ILE CG1 C -3.812 -6.194 -5.582 1.00 . A A . 2 ILE CG1 1 1
21 3932 1 1 2 ILE CG2 C -1.386 -5.831 -5.040 1.00 . A A . 2 ILE CG2 1 1
21 3933 1 1 2 ILE H H -3.817 -7.924 -3.412 1.00 . A A . 2 ILE H 1 1
21 3934 1 1 2 ILE HA H -2.008 -5.615 -2.553 1.00 . A A . 2 ILE HA 1 1
21 3935 1 1 2 ILE HB H -2.959 -4.458 -4.617 1.00 . A A . 2 ILE HB 1 1
21 3936 1 1 2 ILE HD11 H -5.703 -6.313 -4.465 1.00 . A A . 2 ILE HD11 1 1
21 3937 1 1 2 ILE HD12 H -5.514 -4.812 -5.414 1.00 . A A . 2 ILE HD12 1 1
21 3938 1 1 2 ILE HD13 H -5.900 -6.345 -6.229 1.00 . A A . 2 ILE HD13 1 1
21 3939 1 1 2 ILE HG12 H -3.534 -5.859 -6.599 1.00 . A A . 2 ILE HG12 1 1
21 3940 1 1 2 ILE HG13 H -3.673 -7.293 -5.602 1.00 . A A . 2 ILE HG13 1 1
21 3941 1 1 2 ILE HG21 H -1.212 -5.438 -6.060 1.00 . A A . 2 ILE HG21 1 1
21 3942 1 1 2 ILE HG22 H -0.631 -5.356 -4.390 1.00 . A A . 2 ILE HG22 1 1
21 3943 1 1 2 ILE HG23 H -1.156 -6.913 -5.059 1.00 . A A . 2 ILE HG23 1 1
21 3944 1 1 2 ILE N N -3.180 -7.380 -2.819 1.00 . A A . 2 ILE N 1 1
21 3945 1 1 2 ILE O O -4.911 -4.424 -2.831 1.00 . A A . 2 ILE O 1 1
21 3946 1 1 3 TRP C C -4.116 -3.788 1.211 1.00 . A A . 3 TRP C 1 1
21 3947 1 1 3 TRP CA C -4.893 -4.355 -0.008 1.00 . A A . 3 TRP CA 1 1
21 3948 1 1 3 TRP CB C -6.064 -5.276 0.449 1.00 . A A . 3 TRP CB 1 1
21 3949 1 1 3 TRP CD1 C -6.966 -6.850 -1.449 1.00 . A A . 3 TRP CD1 1 1
21 3950 1 1 3 TRP CD2 C -8.089 -4.946 -1.199 1.00 . A A . 3 TRP CD2 1 1
21 3951 1 1 3 TRP CE2 C -8.630 -5.680 -2.285 1.00 . A A . 3 TRP CE2 1 1
21 3952 1 1 3 TRP CE3 C -8.597 -3.660 -0.875 1.00 . A A . 3 TRP CE3 1 1
21 3953 1 1 3 TRP CG C -7.044 -5.679 -0.666 1.00 . A A . 3 TRP CG 1 1
21 3954 1 1 3 TRP CH2 C -10.182 -3.873 -2.714 1.00 . A A . 3 TRP CH2 1 1
21 3955 1 1 3 TRP CZ2 C -9.688 -5.135 -3.052 1.00 . A A . 3 TRP CZ2 1 1
21 3956 1 1 3 TRP CZ3 C -9.644 -3.148 -1.643 1.00 . A A . 3 TRP CZ3 1 1
21 3957 1 1 3 TRP H H -3.137 -5.558 -0.522 1.00 . A A . 3 TRP H 1 1
21 3958 1 1 3 TRP HA H -5.324 -3.516 -0.575 1.00 . A A . 3 TRP HA 1 1
21 3959 1 1 3 TRP HB2 H -5.666 -6.184 0.941 1.00 . A A . 3 TRP HB2 1 1
21 3960 1 1 3 TRP HB3 H -6.645 -4.766 1.241 1.00 . A A . 3 TRP HB3 1 1
21 3961 1 1 3 TRP HD1 H -6.181 -7.589 -1.359 1.00 . A A . 3 TRP HD1 1 1
21 3962 1 1 3 TRP HE1 H -8.091 -7.580 -3.185 1.00 . A A . 3 TRP HE1 1 1
21 3963 1 1 3 TRP HE3 H -8.180 -3.084 -0.062 1.00 . A A . 3 TRP HE3 1 1
21 3964 1 1 3 TRP HH2 H -10.988 -3.447 -3.293 1.00 . A A . 3 TRP HH2 1 1
21 3965 1 1 3 TRP HZ2 H -10.102 -5.679 -3.890 1.00 . A A . 3 TRP HZ2 1 1
21 3966 1 1 3 TRP HZ3 H -10.042 -2.171 -1.411 1.00 . A A . 3 TRP HZ3 1 1
21 3967 1 1 3 TRP N N -3.947 -5.071 -0.898 1.00 . A A . 3 TRP N 1 1
21 3968 1 1 3 TRP NE1 N -7.951 -6.876 -2.453 1.00 . A A . 3 TRP NE1 1 1
21 3969 1 1 3 TRP O O -3.499 -4.538 1.976 1.00 . A A . 3 TRP O 1 1
21 3970 1 1 4 GLY C C -2.125 -1.161 2.074 1.00 . A A . 4 GLY C 1 1
21 3971 1 1 4 GLY CA C -3.479 -1.758 2.493 1.00 . A A . 4 GLY CA 1 1
21 3972 1 1 4 GLY H H -4.656 -1.946 0.643 1.00 . A A . 4 GLY H 1 1
21 3973 1 1 4 GLY HA2 H -4.132 -0.936 2.840 1.00 . A A . 4 GLY HA2 1 1
21 3974 1 1 4 GLY HA3 H -3.365 -2.409 3.384 1.00 . A A . 4 GLY HA3 1 1
21 3975 1 1 4 GLY N N -4.166 -2.456 1.383 1.00 . A A . 4 GLY N 1 1
21 3976 1 1 4 GLY O O -2.036 0.031 1.769 1.00 . A A . 4 GLY O 1 1
21 3977 1 1 5 BCX C C 2.280 -2.381 0.226 1.00 . A A . 5 BCX C 1 1
21 3978 1 1 5 BCX CA C 0.295 -1.599 1.719 1.00 . A A . 5 BCX CA 1 1
21 3979 1 1 5 BCX CB C 1.098 -1.223 2.991 1.00 . A A . 5 BCX CB 1 1
21 3980 1 1 5 BCX CC C 0.938 -2.735 0.907 1.00 . A A . 5 BCX CC 1 1
21 3981 1 1 5 BCX H H -1.336 -2.979 2.290 1.00 . A A . 5 BCX H 1 1
21 3982 1 1 5 BCX HA H 0.295 -0.753 1.013 1.00 . A A . 5 BCX HA 1 1
21 3983 1 1 5 BCX HB2 H 1.376 -2.117 3.576 1.00 . A A . 5 BCX HB2 1 1
21 3984 1 1 5 BCX HB3 H 2.037 -0.708 2.721 1.00 . A A . 5 BCX HB3 1 1
21 3985 1 1 5 BCX HC1 H 0.244 -3.019 0.088 1.00 . A A . 5 BCX HC1 1 1
21 3986 1 1 5 BCX HC2 H 1.005 -3.646 1.536 1.00 . A A . 5 BCX HC2 1 1
21 3987 1 1 5 BCX N N -1.082 -2.006 2.088 1.00 . A A . 5 BCX N 1 1
21 3988 1 1 5 BCX O O 2.385 -1.399 -0.510 1.00 . A A . 5 BCX O 1 1
21 3989 1 1 5 BCX SG S 0.204 -0.140 4.118 1.00 . A A . 5 BCX SG 1 1
21 3990 1 1 6 SER C C 3.671 -4.351 -1.831 1.00 . A A . 6 SER C 1 1
21 3991 1 1 6 SER CA C 4.294 -3.517 -0.671 1.00 . A A . 6 SER CA 1 1
21 3992 1 1 6 SER CB C 5.538 -4.166 -0.023 1.00 . A A . 6 SER CB 1 1
21 3993 1 1 6 SER H H 2.848 -4.079 0.899 1.00 . A A . 6 SER H 1 1
21 3994 1 1 6 SER HA H 4.636 -2.534 -1.053 1.00 . A A . 6 SER HA 1 1
21 3995 1 1 6 SER HB2 H 5.897 -3.561 0.831 1.00 . A A . 6 SER HB2 1 1
21 3996 1 1 6 SER HB3 H 5.310 -5.170 0.384 1.00 . A A . 6 SER HB3 1 1
21 3997 1 1 6 SER HG H 7.323 -4.708 -0.523 1.00 . A A . 6 SER HG 1 1
21 3998 1 1 6 SER N N 3.235 -3.305 0.360 1.00 . A A . 6 SER N 1 1
21 3999 1 1 6 SER O O 3.668 -5.586 -1.826 1.00 . A A . 6 SER O 1 1
21 4000 1 1 6 SER OG O 6.593 -4.274 -0.973 1.00 . A A . 6 SER OG 1 1
21 4001 1 1 7 GLY C C 1.314 -3.218 -4.445 1.00 . A A . 7 GLY C 1 1
21 4002 1 1 7 GLY CA C 2.409 -4.196 -3.965 1.00 . A A . 7 GLY CA 1 1
21 4003 1 1 7 GLY H H 3.123 -2.601 -2.630 1.00 . A A . 7 GLY H 1 1
21 4004 1 1 7 GLY HA2 H 3.126 -4.397 -4.784 1.00 . A A . 7 GLY HA2 1 1
21 4005 1 1 7 GLY HA3 H 1.943 -5.169 -3.716 1.00 . A A . 7 GLY HA3 1 1
21 4006 1 1 7 GLY N N 3.127 -3.614 -2.808 1.00 . A A . 7 GLY N 1 1
21 4007 1 1 7 GLY O O 1.266 -2.895 -5.633 1.00 . A A . 7 GLY O 1 1
21 4008 1 1 8 LYS C C -0.008 -0.372 -3.950 1.00 . A A . 8 LYS C 1 1
21 4009 1 1 8 LYS CA C -0.648 -1.796 -3.833 1.00 . A A . 8 LYS CA 1 1
21 4010 1 1 8 LYS CB C -1.768 -1.890 -2.748 1.00 . A A . 8 LYS CB 1 1
21 4011 1 1 8 LYS CD C -4.045 -0.829 -2.054 1.00 . A A . 8 LYS CD 1 1
21 4012 1 1 8 LYS CE C -3.619 0.460 -1.323 1.00 . A A . 8 LYS CE 1 1
21 4013 1 1 8 LYS CG C -3.094 -1.228 -3.198 1.00 . A A . 8 LYS CG 1 1
21 4014 1 1 8 LYS H H 0.662 -2.994 -2.556 1.00 . A A . 8 LYS H 1 1
21 4015 1 1 8 LYS HA H -1.098 -2.063 -4.810 1.00 . A A . 8 LYS HA 1 1
21 4016 1 1 8 LYS HB2 H -1.977 -2.942 -2.473 1.00 . A A . 8 LYS HB2 1 1
21 4017 1 1 8 LYS HB3 H -1.412 -1.449 -1.792 1.00 . A A . 8 LYS HB3 1 1
21 4018 1 1 8 LYS HD2 H -5.057 -0.685 -2.478 1.00 . A A . 8 LYS HD2 1 1
21 4019 1 1 8 LYS HD3 H -4.142 -1.670 -1.346 1.00 . A A . 8 LYS HD3 1 1
21 4020 1 1 8 LYS HE2 H -2.616 0.344 -0.873 1.00 . A A . 8 LYS HE2 1 1
21 4021 1 1 8 LYS HE3 H -3.534 1.297 -2.042 1.00 . A A . 8 LYS HE3 1 1
21 4022 1 1 8 LYS HG2 H -2.897 -0.334 -3.823 1.00 . A A . 8 LYS HG2 1 1
21 4023 1 1 8 LYS HG3 H -3.619 -1.930 -3.874 1.00 . A A . 8 LYS HG3 1 1
21 4024 1 1 8 LYS HZ1 H -4.301 1.708 0.175 1.00 . A A . 8 LYS HZ1 1 1
21 4025 1 1 8 LYS HZ2 H -4.571 0.129 0.480 1.00 . A A . 8 LYS HZ2 1 1
21 4026 1 1 8 LYS N N 0.420 -2.776 -3.527 1.00 . A A . 8 LYS N 1 1
21 4027 1 1 8 LYS NZ N -4.584 0.827 -0.271 1.00 . A A . 8 LYS NZ 1 1
21 4028 1 1 8 LYS O O 0.063 0.179 -5.052 1.00 . A A . 8 LYS O 1 1
21 4029 1 1 9 LEU C C 1.768 1.542 -1.331 1.00 . A A . 9 LEU C 1 1
21 4030 1 1 9 LEU CA C 1.107 1.520 -2.737 1.00 . A A . 9 LEU CA 1 1
21 4031 1 1 9 LEU CB C 0.021 2.617 -2.902 1.00 . A A . 9 LEU CB 1 1
21 4032 1 1 9 LEU CD1 C 1.482 4.512 -3.872 1.00 . A A . 9 LEU CD1 1 1
21 4033 1 1 9 LEU CD2 C -0.769 5.029 -2.856 1.00 . A A . 9 LEU CD2 1 1
21 4034 1 1 9 LEU CG C 0.461 4.103 -2.792 1.00 . A A . 9 LEU CG 1 1
21 4035 1 1 9 LEU H H 0.280 -0.319 -1.953 1.00 . A A . 9 LEU H 1 1
21 4036 1 1 9 LEU HA H 1.855 1.617 -3.549 1.00 . A A . 9 LEU HA 1 1
21 4037 1 1 9 LEU HB2 H -0.466 2.453 -3.882 1.00 . A A . 9 LEU HB2 1 1
21 4038 1 1 9 LEU HB3 H -0.768 2.407 -2.152 1.00 . A A . 9 LEU HB3 1 1
21 4039 1 1 9 LEU HD11 H 1.088 4.365 -4.895 1.00 . A A . 9 LEU HD11 1 1
21 4040 1 1 9 LEU HD12 H 1.770 5.576 -3.780 1.00 . A A . 9 LEU HD12 1 1
21 4041 1 1 9 LEU HD13 H 2.417 3.928 -3.793 1.00 . A A . 9 LEU HD13 1 1
21 4042 1 1 9 LEU HD21 H -1.496 4.795 -2.056 1.00 . A A . 9 LEU HD21 1 1
21 4043 1 1 9 LEU HD22 H -0.489 6.091 -2.728 1.00 . A A . 9 LEU HD22 1 1
21 4044 1 1 9 LEU HD23 H -1.306 4.945 -3.820 1.00 . A A . 9 LEU HD23 1 1
21 4045 1 1 9 LEU HG H 0.930 4.259 -1.802 1.00 . A A . 9 LEU HG 1 1
21 4046 1 1 9 LEU N N 0.472 0.189 -2.820 1.00 . A A . 9 LEU N 1 1
21 4047 1 1 9 LEU O O 1.061 1.453 -0.319 1.00 . A A . 9 LEU O 1 1
21 4048 1 1 10 ILE C C 3.330 2.776 1.039 1.00 . A A . 10 ILE C 1 1
21 4049 1 1 10 ILE CA C 3.862 1.694 0.040 1.00 . A A . 10 ILE CA 1 1
21 4050 1 1 10 ILE CB C 5.424 1.704 -0.154 1.00 . A A . 10 ILE CB 1 1
21 4051 1 1 10 ILE CD1 C 5.878 4.217 -0.806 1.00 . A A . 10 ILE CD1 1 1
21 4052 1 1 10 ILE CG1 C 6.045 2.731 -1.153 1.00 . A A . 10 ILE CG1 1 1
21 4053 1 1 10 ILE CG2 C 5.937 0.290 -0.528 1.00 . A A . 10 ILE CG2 1 1
21 4054 1 1 10 ILE H H 3.605 1.613 -2.154 1.00 . A A . 10 ILE H 1 1
21 4055 1 1 10 ILE HA H 3.626 0.716 0.512 1.00 . A A . 10 ILE HA 1 1
21 4056 1 1 10 ILE HB H 5.878 1.916 0.833 1.00 . A A . 10 ILE HB 1 1
21 4057 1 1 10 ILE HD11 H 6.506 4.850 -1.460 1.00 . A A . 10 ILE HD11 1 1
21 4058 1 1 10 ILE HD12 H 4.837 4.556 -0.946 1.00 . A A . 10 ILE HD12 1 1
21 4059 1 1 10 ILE HD13 H 6.170 4.433 0.239 1.00 . A A . 10 ILE HD13 1 1
21 4060 1 1 10 ILE HG12 H 7.134 2.544 -1.229 1.00 . A A . 10 ILE HG12 1 1
21 4061 1 1 10 ILE HG13 H 5.659 2.555 -2.174 1.00 . A A . 10 ILE HG13 1 1
21 4062 1 1 10 ILE HG21 H 7.042 0.244 -0.567 1.00 . A A . 10 ILE HG21 1 1
21 4063 1 1 10 ILE HG22 H 5.621 -0.470 0.213 1.00 . A A . 10 ILE HG22 1 1
21 4064 1 1 10 ILE HG23 H 5.560 -0.042 -1.514 1.00 . A A . 10 ILE HG23 1 1
21 4065 1 1 10 ILE N N 3.111 1.669 -1.258 1.00 . A A . 10 ILE N 1 1
21 4066 1 1 10 ILE O O 3.046 3.914 0.647 1.00 . A A . 10 ILE O 1 1
21 4067 1 1 11 CYS C C 3.694 3.603 4.414 1.00 . A A . 11 CYS C 1 1
21 4068 1 1 11 CYS CA C 2.604 3.275 3.363 1.00 . A A . 11 CYS CA 1 1
21 4069 1 1 11 CYS CB C 1.290 2.728 3.955 1.00 . A A . 11 CYS CB 1 1
21 4070 1 1 11 CYS H H 3.726 1.577 2.567 1.00 . A A . 11 CYS H 1 1
21 4071 1 1 11 CYS HA H 2.251 4.199 2.883 1.00 . A A . 11 CYS HA 1 1
21 4072 1 1 11 CYS HB2 H 0.837 3.476 4.633 1.00 . A A . 11 CYS HB2 1 1
21 4073 1 1 11 CYS HB3 H 0.543 2.566 3.155 1.00 . A A . 11 CYS HB3 1 1
21 4074 1 1 11 CYS N N 3.144 2.379 2.313 1.00 . A A . 11 CYS N 1 1
21 4075 1 1 11 CYS O O 3.961 2.814 5.326 1.00 . A A . 11 CYS O 1 1
21 4076 1 1 11 CYS SG S 1.485 1.191 4.871 1.00 . A A . 11 CYS SG 1 1
21 4077 1 1 12 THR C C 4.782 5.786 6.520 1.00 . A A . 12 THR C 1 1
21 4078 1 1 12 THR CA C 5.392 5.264 5.184 1.00 . A A . 12 THR CA 1 1
21 4079 1 1 12 THR CB C 6.296 6.340 4.508 1.00 . A A . 12 THR CB 1 1
21 4080 1 1 12 THR CG2 C 7.101 5.848 3.292 1.00 . A A . 12 THR CG2 1 1
21 4081 1 1 12 THR H H 4.110 5.285 3.403 1.00 . A A . 12 THR H 1 1
21 4082 1 1 12 THR HA H 6.055 4.402 5.387 1.00 . A A . 12 THR HA 1 1
21 4083 1 1 12 THR HB H 7.036 6.684 5.259 1.00 . A A . 12 THR HB 1 1
21 4084 1 1 12 THR HG1 H 4.928 7.640 4.850 1.00 . A A . 12 THR HG1 1 1
21 4085 1 1 12 THR HG21 H 7.749 4.990 3.551 1.00 . A A . 12 THR HG21 1 1
21 4086 1 1 12 THR HG22 H 6.441 5.527 2.465 1.00 . A A . 12 THR HG22 1 1
21 4087 1 1 12 THR HG23 H 7.756 6.645 2.896 1.00 . A A . 12 THR HG23 1 1
21 4088 1 1 12 THR N N 4.317 4.789 4.273 1.00 . A A . 12 THR N 1 1
21 4089 1 1 12 THR O O 4.234 6.892 6.579 1.00 . A A . 12 THR O 1 1
21 4090 1 1 12 THR OG1 O 5.524 7.471 4.114 1.00 . A A . 12 THR OG1 1 1
21 4091 1 1 13 THR C C 5.367 4.773 9.968 1.00 . A A . 13 THR C 1 1
21 4092 1 1 13 THR CA C 4.337 5.288 8.922 1.00 . A A . 13 THR CA 1 1
21 4093 1 1 13 THR CB C 2.918 4.680 9.141 1.00 . A A . 13 THR CB 1 1
21 4094 1 1 13 THR CG2 C 1.782 5.434 8.431 1.00 . A A . 13 THR CG2 1 1
21 4095 1 1 13 THR H H 5.318 4.058 7.407 1.00 . A A . 13 THR H 1 1
21 4096 1 1 13 THR HA H 4.239 6.388 9.041 1.00 . A A . 13 THR HA 1 1
21 4097 1 1 13 THR HB H 2.707 4.715 10.223 1.00 . A A . 13 THR HB 1 1
21 4098 1 1 13 THR HG1 H 3.083 3.323 7.795 1.00 . A A . 13 THR HG1 1 1
21 4099 1 1 13 THR HG21 H 0.796 4.995 8.673 1.00 . A A . 13 THR HG21 1 1
21 4100 1 1 13 THR HG22 H 1.747 6.498 8.730 1.00 . A A . 13 THR HG22 1 1
21 4101 1 1 13 THR HG23 H 1.890 5.403 7.331 1.00 . A A . 13 THR HG23 1 1
21 4102 1 1 13 THR N N 4.879 4.965 7.579 1.00 . A A . 13 THR N 1 1
21 4103 1 1 13 THR O O 5.444 3.573 10.256 1.00 . A A . 13 THR O 1 1
21 4104 1 1 13 THR OG1 O 2.860 3.315 8.730 1.00 . A A . 13 THR OG1 1 1
21 4105 1 1 14 ALA C C 6.632 5.446 12.979 1.00 . A A . 14 ALA C 1 1
21 4106 1 1 14 ALA CA C 7.197 5.392 11.540 1.00 . A A . 14 ALA CA 1 1
21 4107 1 1 14 ALA CB C 8.391 6.343 11.343 1.00 . A A . 14 ALA CB 1 1
21 4108 1 1 14 ALA H H 6.009 6.650 10.159 1.00 . A A . 14 ALA H 1 1
21 4109 1 1 14 ALA HXT H 5.825 6.687 14.230 1.00 . A A . 14 ALA HXT 1 1
21 4110 1 1 14 ALA HA H 7.583 4.366 11.375 1.00 . A A . 14 ALA HA 1 1
21 4111 1 1 14 ALA HB1 H 8.113 7.405 11.486 1.00 . A A . 14 ALA HB1 1 1
21 4112 1 1 14 ALA HB2 H 9.207 6.122 12.058 1.00 . A A . 14 ALA HB2 1 1
21 4113 1 1 14 ALA HB3 H 8.825 6.252 10.330 1.00 . A A . 14 ALA HB3 1 1
21 4114 1 1 14 ALA N N 6.158 5.705 10.526 1.00 . A A . 14 ALA N 1 1
21 4115 1 1 14 ALA O O 6.606 4.468 13.726 1.00 . A A . 14 ALA O 1 1
21 4116 1 1 14 ALA OXT O 6.169 6.689 13.334 1.00 . A A . 14 ALA OXT 1 1
22 4117 1 1 1 ACE C C -7.821 -0.799 9.421 1.00 . A A . 1 ACE C 1 1
22 4118 1 1 1 ACE CH3 C -7.632 -0.378 10.875 1.00 . A A . 1 ACE CH3 1 1
22 4119 1 1 1 ACE H1 H -8.014 -1.152 11.566 1.00 . A A . 1 ACE H1 1 1
22 4120 1 1 1 ACE H2 H -6.564 -0.221 11.117 1.00 . A A . 1 ACE H2 1 1
22 4121 1 1 1 ACE H3 H -8.175 0.559 11.099 1.00 . A A . 1 ACE H3 1 1
22 4122 1 1 1 ACE O O -8.367 -1.869 9.144 1.00 . A A . 1 ACE O 1 1
22 4123 1 1 2 ILE C C -6.183 0.479 6.426 1.00 . A A . 2 ILE C 1 1
22 4124 1 1 2 ILE CA C -7.458 -0.162 7.039 1.00 . A A . 2 ILE CA 1 1
22 4125 1 1 2 ILE CB C -8.829 0.284 6.428 1.00 . A A . 2 ILE CB 1 1
22 4126 1 1 2 ILE CD1 C -8.337 0.288 3.816 1.00 . A A . 2 ILE CD1 1 1
22 4127 1 1 2 ILE CG1 C -9.131 -0.278 5.007 1.00 . A A . 2 ILE CG1 1 1
22 4128 1 1 2 ILE CG2 C -9.182 1.789 6.546 1.00 . A A . 2 ILE CG2 1 1
22 4129 1 1 2 ILE H H -6.887 0.890 8.893 1.00 . A A . 2 ILE H 1 1
22 4130 1 1 2 ILE HA H -7.411 -1.260 6.874 1.00 . A A . 2 ILE HA 1 1
22 4131 1 1 2 ILE HB H -9.561 -0.233 7.070 1.00 . A A . 2 ILE HB 1 1
22 4132 1 1 2 ILE HD11 H -8.435 1.387 3.737 1.00 . A A . 2 ILE HD11 1 1
22 4133 1 1 2 ILE HD12 H -7.260 0.053 3.880 1.00 . A A . 2 ILE HD12 1 1
22 4134 1 1 2 ILE HD13 H -8.699 -0.138 2.863 1.00 . A A . 2 ILE HD13 1 1
22 4135 1 1 2 ILE HG12 H -9.004 -1.377 5.019 1.00 . A A . 2 ILE HG12 1 1
22 4136 1 1 2 ILE HG13 H -10.208 -0.132 4.795 1.00 . A A . 2 ILE HG13 1 1
22 4137 1 1 2 ILE HG21 H -8.520 2.424 5.930 1.00 . A A . 2 ILE HG21 1 1
22 4138 1 1 2 ILE HG22 H -10.220 1.991 6.223 1.00 . A A . 2 ILE HG22 1 1
22 4139 1 1 2 ILE HG23 H -9.099 2.148 7.588 1.00 . A A . 2 ILE HG23 1 1
22 4140 1 1 2 ILE N N -7.370 0.071 8.510 1.00 . A A . 2 ILE N 1 1
22 4141 1 1 2 ILE O O -6.038 1.704 6.359 1.00 . A A . 2 ILE O 1 1
22 4142 1 1 3 TRP C C -3.657 -0.916 4.196 1.00 . A A . 3 TRP C 1 1
22 4143 1 1 3 TRP CA C -3.959 0.007 5.410 1.00 . A A . 3 TRP CA 1 1
22 4144 1 1 3 TRP CB C -2.813 -0.053 6.464 1.00 . A A . 3 TRP CB 1 1
22 4145 1 1 3 TRP CD1 C -3.638 0.917 8.766 1.00 . A A . 3 TRP CD1 1 1
22 4146 1 1 3 TRP CD2 C -2.144 2.179 7.700 1.00 . A A . 3 TRP CD2 1 1
22 4147 1 1 3 TRP CE2 C -2.496 2.790 8.931 1.00 . A A . 3 TRP CE2 1 1
22 4148 1 1 3 TRP CE3 C -1.201 2.794 6.838 1.00 . A A . 3 TRP CE3 1 1
22 4149 1 1 3 TRP CG C -2.857 0.997 7.589 1.00 . A A . 3 TRP CG 1 1
22 4150 1 1 3 TRP CH2 C -0.969 4.605 8.451 1.00 . A A . 3 TRP CH2 1 1
22 4151 1 1 3 TRP CZ2 C -1.899 4.018 9.311 1.00 . A A . 3 TRP CZ2 1 1
22 4152 1 1 3 TRP CZ3 C -0.626 4.004 7.234 1.00 . A A . 3 TRP CZ3 1 1
22 4153 1 1 3 TRP H H -5.540 -1.366 6.080 1.00 . A A . 3 TRP H 1 1
22 4154 1 1 3 TRP HA H -4.042 1.045 5.055 1.00 . A A . 3 TRP HA 1 1
22 4155 1 1 3 TRP HB2 H -2.768 -1.062 6.917 1.00 . A A . 3 TRP HB2 1 1
22 4156 1 1 3 TRP HB3 H -1.841 0.047 5.945 1.00 . A A . 3 TRP HB3 1 1
22 4157 1 1 3 TRP HD1 H -4.347 0.125 8.973 1.00 . A A . 3 TRP HD1 1 1
22 4158 1 1 3 TRP HE1 H -3.870 2.222 10.515 1.00 . A A . 3 TRP HE1 1 1
22 4159 1 1 3 TRP HE3 H -0.935 2.343 5.895 1.00 . A A . 3 TRP HE3 1 1
22 4160 1 1 3 TRP HH2 H -0.502 5.538 8.731 1.00 . A A . 3 TRP HH2 1 1
22 4161 1 1 3 TRP HZ2 H -2.154 4.491 10.248 1.00 . A A . 3 TRP HZ2 1 1
22 4162 1 1 3 TRP HZ3 H 0.101 4.483 6.594 1.00 . A A . 3 TRP HZ3 1 1
22 4163 1 1 3 TRP N N -5.254 -0.392 6.005 1.00 . A A . 3 TRP N 1 1
22 4164 1 1 3 TRP NE1 N -3.430 2.023 9.609 1.00 . A A . 3 TRP NE1 1 1
22 4165 1 1 3 TRP O O -3.328 -2.096 4.368 1.00 . A A . 3 TRP O 1 1
22 4166 1 1 4 GLY C C -2.051 -0.833 1.251 1.00 . A A . 4 GLY C 1 1
22 4167 1 1 4 GLY CA C -3.488 -1.121 1.723 1.00 . A A . 4 GLY CA 1 1
22 4168 1 1 4 GLY H H -3.998 0.629 2.962 1.00 . A A . 4 GLY H 1 1
22 4169 1 1 4 GLY HA2 H -3.669 -2.209 1.836 1.00 . A A . 4 GLY HA2 1 1
22 4170 1 1 4 GLY HA3 H -4.198 -0.794 0.940 1.00 . A A . 4 GLY HA3 1 1
22 4171 1 1 4 GLY N N -3.773 -0.370 2.971 1.00 . A A . 4 GLY N 1 1
22 4172 1 1 4 GLY O O -1.841 0.034 0.398 1.00 . A A . 4 GLY O 1 1
22 4173 1 1 5 BCX C C 2.319 -2.357 0.129 1.00 . A A . 5 BCX C 1 1
22 4174 1 1 5 BCX CA C 0.353 -1.401 1.515 1.00 . A A . 5 BCX CA 1 1
22 4175 1 1 5 BCX CB C 1.090 -1.074 2.836 1.00 . A A . 5 BCX CB 1 1
22 4176 1 1 5 BCX CC C 0.933 -2.612 0.769 1.00 . A A . 5 BCX CC 1 1
22 4177 1 1 5 BCX H H -1.419 -2.187 2.572 1.00 . A A . 5 BCX H 1 1
22 4178 1 1 5 BCX HA H 0.513 -0.566 0.821 1.00 . A A . 5 BCX HA 1 1
22 4179 1 1 5 BCX HB2 H 1.336 -1.986 3.406 1.00 . A A . 5 BCX HB2 1 1
22 4180 1 1 5 BCX HB3 H 2.048 -0.561 2.628 1.00 . A A . 5 BCX HB3 1 1
22 4181 1 1 5 BCX HC1 H 0.247 -2.878 -0.060 1.00 . A A . 5 BCX HC1 1 1
22 4182 1 1 5 BCX HC2 H 0.919 -3.498 1.434 1.00 . A A . 5 BCX HC2 1 1
22 4183 1 1 5 BCX N N -1.086 -1.582 1.814 1.00 . A A . 5 BCX N 1 1
22 4184 1 1 5 BCX O O 2.518 -1.389 -0.608 1.00 . A A . 5 BCX O 1 1
22 4185 1 1 5 BCX SG S 0.128 -0.018 3.939 1.00 . A A . 5 BCX SG 1 1
22 4186 1 1 6 SER C C 3.637 -4.426 -1.883 1.00 . A A . 6 SER C 1 1
22 4187 1 1 6 SER CA C 4.275 -3.631 -0.704 1.00 . A A . 6 SER CA 1 1
22 4188 1 1 6 SER CB C 5.450 -4.351 -0.004 1.00 . A A . 6 SER CB 1 1
22 4189 1 1 6 SER H H 2.763 -4.073 0.855 1.00 . A A . 6 SER H 1 1
22 4190 1 1 6 SER HA H 4.695 -2.675 -1.081 1.00 . A A . 6 SER HA 1 1
22 4191 1 1 6 SER HB2 H 5.848 -3.734 0.825 1.00 . A A . 6 SER HB2 1 1
22 4192 1 1 6 SER HB3 H 5.131 -5.307 0.452 1.00 . A A . 6 SER HB3 1 1
22 4193 1 1 6 SER HG H 6.156 -5.214 -1.578 1.00 . A A . 6 SER HG 1 1
22 4194 1 1 6 SER N N 3.203 -3.341 0.296 1.00 . A A . 6 SER N 1 1
22 4195 1 1 6 SER O O 3.602 -5.660 -1.895 1.00 . A A . 6 SER O 1 1
22 4196 1 1 6 SER OG O 6.507 -4.601 -0.926 1.00 . A A . 6 SER OG 1 1
22 4197 1 1 7 GLY C C 1.288 -3.236 -4.470 1.00 . A A . 7 GLY C 1 1
22 4198 1 1 7 GLY CA C 2.409 -4.211 -4.036 1.00 . A A . 7 GLY CA 1 1
22 4199 1 1 7 GLY H H 3.135 -2.651 -2.671 1.00 . A A . 7 GLY H 1 1
22 4200 1 1 7 GLY HA2 H 3.119 -4.368 -4.870 1.00 . A A . 7 GLY HA2 1 1
22 4201 1 1 7 GLY HA3 H 1.961 -5.201 -3.822 1.00 . A A . 7 GLY HA3 1 1
22 4202 1 1 7 GLY N N 3.133 -3.663 -2.864 1.00 . A A . 7 GLY N 1 1
22 4203 1 1 7 GLY O O 1.188 -2.907 -5.654 1.00 . A A . 7 GLY O 1 1
22 4204 1 1 8 LYS C C -0.012 -0.401 -3.892 1.00 . A A . 8 LYS C 1 1
22 4205 1 1 8 LYS CA C -0.649 -1.821 -3.748 1.00 . A A . 8 LYS CA 1 1
22 4206 1 1 8 LYS CB C -1.679 -1.963 -2.579 1.00 . A A . 8 LYS CB 1 1
22 4207 1 1 8 LYS CD C -3.929 -1.577 -3.828 1.00 . A A . 8 LYS CD 1 1
22 4208 1 1 8 LYS CE C -5.228 -0.755 -3.857 1.00 . A A . 8 LYS CE 1 1
22 4209 1 1 8 LYS CG C -2.975 -1.130 -2.700 1.00 . A A . 8 LYS CG 1 1
22 4210 1 1 8 LYS H H 0.733 -3.013 -2.554 1.00 . A A . 8 LYS H 1 1
22 4211 1 1 8 LYS HA H -1.160 -2.077 -4.696 1.00 . A A . 8 LYS HA 1 1
22 4212 1 1 8 LYS HB2 H -1.953 -3.025 -2.427 1.00 . A A . 8 LYS HB2 1 1
22 4213 1 1 8 LYS HB3 H -1.188 -1.681 -1.624 1.00 . A A . 8 LYS HB3 1 1
22 4214 1 1 8 LYS HD2 H -3.415 -1.489 -4.805 1.00 . A A . 8 LYS HD2 1 1
22 4215 1 1 8 LYS HD3 H -4.166 -2.652 -3.705 1.00 . A A . 8 LYS HD3 1 1
22 4216 1 1 8 LYS HE2 H -5.763 -0.840 -2.892 1.00 . A A . 8 LYS HE2 1 1
22 4217 1 1 8 LYS HE3 H -5.002 0.320 -3.993 1.00 . A A . 8 LYS HE3 1 1
22 4218 1 1 8 LYS HG2 H -3.512 -1.189 -1.735 1.00 . A A . 8 LYS HG2 1 1
22 4219 1 1 8 LYS HG3 H -2.720 -0.060 -2.820 1.00 . A A . 8 LYS HG3 1 1
22 4220 1 1 8 LYS HZ1 H -6.995 -0.673 -4.931 1.00 . A A . 8 LYS HZ1 1 1
22 4221 1 1 8 LYS HZ2 H -6.380 -2.184 -4.808 1.00 . A A . 8 LYS HZ2 1 1
22 4222 1 1 8 LYS N N 0.438 -2.799 -3.511 1.00 . A A . 8 LYS N 1 1
22 4223 1 1 8 LYS NZ N -6.116 -1.202 -4.946 1.00 . A A . 8 LYS NZ 1 1
22 4224 1 1 8 LYS O O 0.035 0.136 -5.002 1.00 . A A . 8 LYS O 1 1
22 4225 1 1 9 LEU C C 1.803 1.580 -1.333 1.00 . A A . 9 LEU C 1 1
22 4226 1 1 9 LEU CA C 1.142 1.504 -2.737 1.00 . A A . 9 LEU CA 1 1
22 4227 1 1 9 LEU CB C 0.065 2.603 -2.943 1.00 . A A . 9 LEU CB 1 1
22 4228 1 1 9 LEU CD1 C 1.543 4.460 -3.958 1.00 . A A . 9 LEU CD1 1 1
22 4229 1 1 9 LEU CD2 C -0.714 5.019 -2.979 1.00 . A A . 9 LEU CD2 1 1
22 4230 1 1 9 LEU CG C 0.510 4.090 -2.876 1.00 . A A . 9 LEU CG 1 1
22 4231 1 1 9 LEU H H 0.321 -0.331 -1.907 1.00 . A A . 9 LEU H 1 1
22 4232 1 1 9 LEU HA H 1.892 1.570 -3.549 1.00 . A A . 9 LEU HA 1 1
22 4233 1 1 9 LEU HB2 H -0.415 2.412 -3.921 1.00 . A A . 9 LEU HB2 1 1
22 4234 1 1 9 LEU HB3 H -0.731 2.416 -2.195 1.00 . A A . 9 LEU HB3 1 1
22 4235 1 1 9 LEU HD11 H 1.837 5.525 -3.896 1.00 . A A . 9 LEU HD11 1 1
22 4236 1 1 9 LEU HD12 H 2.474 3.873 -3.852 1.00 . A A . 9 LEU HD12 1 1
22 4237 1 1 9 LEU HD13 H 1.158 4.284 -4.979 1.00 . A A . 9 LEU HD13 1 1
22 4238 1 1 9 LEU HD21 H -1.242 4.908 -3.945 1.00 . A A . 9 LEU HD21 1 1
22 4239 1 1 9 LEU HD22 H -1.449 4.815 -2.179 1.00 . A A . 9 LEU HD22 1 1
22 4240 1 1 9 LEU HD23 H -0.429 6.084 -2.882 1.00 . A A . 9 LEU HD23 1 1
22 4241 1 1 9 LEU HG H 0.970 4.275 -1.886 1.00 . A A . 9 LEU HG 1 1
22 4242 1 1 9 LEU N N 0.500 0.171 -2.781 1.00 . A A . 9 LEU N 1 1
22 4243 1 1 9 LEU O O 1.090 1.543 -0.322 1.00 . A A . 9 LEU O 1 1
22 4244 1 1 10 ILE C C 3.320 2.849 1.029 1.00 . A A . 10 ILE C 1 1
22 4245 1 1 10 ILE CA C 3.901 1.782 0.041 1.00 . A A . 10 ILE CA 1 1
22 4246 1 1 10 ILE CB C 5.460 1.854 -0.166 1.00 . A A . 10 ILE CB 1 1
22 4247 1 1 10 ILE CD1 C 6.150 4.387 -0.240 1.00 . A A . 10 ILE CD1 1 1
22 4248 1 1 10 ILE CG1 C 6.025 3.052 -0.993 1.00 . A A . 10 ILE CG1 1 1
22 4249 1 1 10 ILE CG2 C 6.002 0.522 -0.748 1.00 . A A . 10 ILE CG2 1 1
22 4250 1 1 10 ILE H H 3.640 1.614 -2.151 1.00 . A A . 10 ILE H 1 1
22 4251 1 1 10 ILE HA H 3.715 0.799 0.521 1.00 . A A . 10 ILE HA 1 1
22 4252 1 1 10 ILE HB H 5.924 1.917 0.837 1.00 . A A . 10 ILE HB 1 1
22 4253 1 1 10 ILE HD11 H 5.170 4.825 0.011 1.00 . A A . 10 ILE HD11 1 1
22 4254 1 1 10 ILE HD12 H 6.719 4.278 0.701 1.00 . A A . 10 ILE HD12 1 1
22 4255 1 1 10 ILE HD13 H 6.680 5.138 -0.855 1.00 . A A . 10 ILE HD13 1 1
22 4256 1 1 10 ILE HG12 H 7.043 2.810 -1.352 1.00 . A A . 10 ILE HG12 1 1
22 4257 1 1 10 ILE HG13 H 5.434 3.200 -1.916 1.00 . A A . 10 ILE HG13 1 1
22 4258 1 1 10 ILE HG21 H 5.650 0.344 -1.782 1.00 . A A . 10 ILE HG21 1 1
22 4259 1 1 10 ILE HG22 H 7.107 0.502 -0.771 1.00 . A A . 10 ILE HG22 1 1
22 4260 1 1 10 ILE HG23 H 5.686 -0.349 -0.143 1.00 . A A . 10 ILE HG23 1 1
22 4261 1 1 10 ILE N N 3.147 1.710 -1.259 1.00 . A A . 10 ILE N 1 1
22 4262 1 1 10 ILE O O 2.945 3.950 0.610 1.00 . A A . 10 ILE O 1 1
22 4263 1 1 11 CYS C C 3.575 3.586 4.533 1.00 . A A . 11 CYS C 1 1
22 4264 1 1 11 CYS CA C 2.603 3.368 3.350 1.00 . A A . 11 CYS CA 1 1
22 4265 1 1 11 CYS CB C 1.226 2.840 3.797 1.00 . A A . 11 CYS CB 1 1
22 4266 1 1 11 CYS H H 3.812 1.717 2.600 1.00 . A A . 11 CYS H 1 1
22 4267 1 1 11 CYS HA H 2.348 4.330 2.886 1.00 . A A . 11 CYS HA 1 1
22 4268 1 1 11 CYS HB2 H 0.709 3.602 4.408 1.00 . A A . 11 CYS HB2 1 1
22 4269 1 1 11 CYS HB3 H 0.568 2.665 2.925 1.00 . A A . 11 CYS HB3 1 1
22 4270 1 1 11 CYS N N 3.192 2.481 2.321 1.00 . A A . 11 CYS N 1 1
22 4271 1 1 11 CYS O O 3.816 2.683 5.342 1.00 . A A . 11 CYS O 1 1
22 4272 1 1 11 CYS SG S 1.339 1.325 4.761 1.00 . A A . 11 CYS SG 1 1
22 4273 1 1 12 THR C C 4.247 5.566 6.995 1.00 . A A . 12 THR C 1 1
22 4274 1 1 12 THR CA C 5.063 5.195 5.718 1.00 . A A . 12 THR CA 1 1
22 4275 1 1 12 THR CB C 6.031 6.338 5.291 1.00 . A A . 12 THR CB 1 1
22 4276 1 1 12 THR CG2 C 6.991 5.986 4.140 1.00 . A A . 12 THR CG2 1 1
22 4277 1 1 12 THR H H 4.011 5.387 3.798 1.00 . A A . 12 THR H 1 1
22 4278 1 1 12 THR HA H 5.709 4.323 5.926 1.00 . A A . 12 THR HA 1 1
22 4279 1 1 12 THR HB H 6.661 6.588 6.166 1.00 . A A . 12 THR HB 1 1
22 4280 1 1 12 THR HG1 H 4.635 7.604 5.622 1.00 . A A . 12 THR HG1 1 1
22 4281 1 1 12 THR HG21 H 7.682 6.822 3.926 1.00 . A A . 12 THR HG21 1 1
22 4282 1 1 12 THR HG22 H 7.612 5.103 4.382 1.00 . A A . 12 THR HG22 1 1
22 4283 1 1 12 THR HG23 H 6.448 5.763 3.202 1.00 . A A . 12 THR HG23 1 1
22 4284 1 1 12 THR N N 4.121 4.810 4.633 1.00 . A A . 12 THR N 1 1
22 4285 1 1 12 THR O O 3.705 6.672 7.107 1.00 . A A . 12 THR O 1 1
22 4286 1 1 12 THR OG1 O 5.303 7.508 4.934 1.00 . A A . 12 THR OG1 1 1
22 4287 1 1 13 THR C C 4.189 5.642 10.285 1.00 . A A . 13 THR C 1 1
22 4288 1 1 13 THR CA C 3.404 4.808 9.221 1.00 . A A . 13 THR CA 1 1
22 4289 1 1 13 THR CB C 2.853 3.443 9.746 1.00 . A A . 13 THR CB 1 1
22 4290 1 1 13 THR CG2 C 1.885 3.561 10.936 1.00 . A A . 13 THR CG2 1 1
22 4291 1 1 13 THR H H 4.629 3.743 7.684 1.00 . A A . 13 THR H 1 1
22 4292 1 1 13 THR HA H 2.498 5.402 8.977 1.00 . A A . 13 THR HA 1 1
22 4293 1 1 13 THR HB H 3.687 2.786 10.064 1.00 . A A . 13 THR HB 1 1
22 4294 1 1 13 THR HG1 H 2.605 2.981 7.893 1.00 . A A . 13 THR HG1 1 1
22 4295 1 1 13 THR HG21 H 2.377 3.995 11.827 1.00 . A A . 13 THR HG21 1 1
22 4296 1 1 13 THR HG22 H 1.015 4.198 10.697 1.00 . A A . 13 THR HG22 1 1
22 4297 1 1 13 THR HG23 H 1.493 2.571 11.235 1.00 . A A . 13 THR HG23 1 1
22 4298 1 1 13 THR N N 4.162 4.618 7.944 1.00 . A A . 13 THR N 1 1
22 4299 1 1 13 THR O O 3.633 6.616 10.802 1.00 . A A . 13 THR O 1 1
22 4300 1 1 13 THR OG1 O 2.135 2.779 8.707 1.00 . A A . 13 THR OG1 1 1
22 4301 1 1 14 ALA C C 7.051 7.161 10.928 1.00 . A A . 14 ALA C 1 1
22 4302 1 1 14 ALA CA C 6.264 6.018 11.614 1.00 . A A . 14 ALA CA 1 1
22 4303 1 1 14 ALA CB C 7.173 5.010 12.341 1.00 . A A . 14 ALA CB 1 1
22 4304 1 1 14 ALA H H 5.848 4.526 10.051 1.00 . A A . 14 ALA H 1 1
22 4305 1 1 14 ALA HXT H 5.422 8.193 11.187 1.00 . A A . 14 ALA HXT 1 1
22 4306 1 1 14 ALA HA H 5.609 6.465 12.389 1.00 . A A . 14 ALA HA 1 1
22 4307 1 1 14 ALA HB1 H 7.873 4.499 11.653 1.00 . A A . 14 ALA HB1 1 1
22 4308 1 1 14 ALA HB2 H 7.787 5.508 13.116 1.00 . A A . 14 ALA HB2 1 1
22 4309 1 1 14 ALA HB3 H 6.587 4.227 12.858 1.00 . A A . 14 ALA HB3 1 1
22 4310 1 1 14 ALA N N 5.449 5.283 10.617 1.00 . A A . 14 ALA N 1 1
22 4311 1 1 14 ALA O O 8.200 7.053 10.497 1.00 . A A . 14 ALA O 1 1
22 4312 1 1 14 ALA OXT O 6.308 8.312 10.839 1.00 . A A . 14 ALA OXT 1 1
23 4313 1 1 1 ACE C C -9.215 0.938 7.251 1.00 . A A . 1 ACE C 1 1
23 4314 1 1 1 ACE CH3 C -9.578 2.131 8.129 1.00 . A A . 1 ACE CH3 1 1
23 4315 1 1 1 ACE H1 H -10.585 2.520 7.892 1.00 . A A . 1 ACE H1 1 1
23 4316 1 1 1 ACE H2 H -9.577 1.852 9.199 1.00 . A A . 1 ACE H2 1 1
23 4317 1 1 1 ACE H3 H -8.854 2.957 8.006 1.00 . A A . 1 ACE H3 1 1
23 4318 1 1 1 ACE O O -8.939 -0.151 7.759 1.00 . A A . 1 ACE O 1 1
23 4319 1 1 2 ILE C C -7.564 0.588 4.228 1.00 . A A . 2 ILE C 1 1
23 4320 1 1 2 ILE CA C -8.887 0.140 4.908 1.00 . A A . 2 ILE CA 1 1
23 4321 1 1 2 ILE CB C -10.104 -0.165 3.977 1.00 . A A . 2 ILE CB 1 1
23 4322 1 1 2 ILE CD1 C -8.972 -1.509 1.984 1.00 . A A . 2 ILE CD1 1 1
23 4323 1 1 2 ILE CG1 C -9.984 -1.476 3.144 1.00 . A A . 2 ILE CG1 1 1
23 4324 1 1 2 ILE CG2 C -10.649 1.011 3.127 1.00 . A A . 2 ILE CG2 1 1
23 4325 1 1 2 ILE H H -9.392 2.150 5.673 1.00 . A A . 2 ILE H 1 1
23 4326 1 1 2 ILE HA H -8.707 -0.829 5.422 1.00 . A A . 2 ILE HA 1 1
23 4327 1 1 2 ILE HB H -10.898 -0.393 4.708 1.00 . A A . 2 ILE HB 1 1
23 4328 1 1 2 ILE HD11 H -9.040 -2.462 1.428 1.00 . A A . 2 ILE HD11 1 1
23 4329 1 1 2 ILE HD12 H -9.147 -0.697 1.257 1.00 . A A . 2 ILE HD12 1 1
23 4330 1 1 2 ILE HD13 H -7.928 -1.422 2.337 1.00 . A A . 2 ILE HD13 1 1
23 4331 1 1 2 ILE HG12 H -9.758 -2.319 3.826 1.00 . A A . 2 ILE HG12 1 1
23 4332 1 1 2 ILE HG13 H -10.980 -1.723 2.731 1.00 . A A . 2 ILE HG13 1 1
23 4333 1 1 2 ILE HG21 H -11.593 0.743 2.617 1.00 . A A . 2 ILE HG21 1 1
23 4334 1 1 2 ILE HG22 H -10.866 1.901 3.745 1.00 . A A . 2 ILE HG22 1 1
23 4335 1 1 2 ILE HG23 H -9.936 1.327 2.343 1.00 . A A . 2 ILE HG23 1 1
23 4336 1 1 2 ILE N N -9.220 1.175 5.932 1.00 . A A . 2 ILE N 1 1
23 4337 1 1 2 ILE O O -7.535 1.426 3.322 1.00 . A A . 2 ILE O 1 1
23 4338 1 1 3 TRP C C -4.613 -0.817 3.252 1.00 . A A . 3 TRP C 1 1
23 4339 1 1 3 TRP CA C -5.098 0.269 4.251 1.00 . A A . 3 TRP CA 1 1
23 4340 1 1 3 TRP CB C -4.151 0.386 5.481 1.00 . A A . 3 TRP CB 1 1
23 4341 1 1 3 TRP CD1 C -5.392 2.007 7.148 1.00 . A A . 3 TRP CD1 1 1
23 4342 1 1 3 TRP CD2 C -3.423 2.743 6.406 1.00 . A A . 3 TRP CD2 1 1
23 4343 1 1 3 TRP CE2 C -3.989 3.699 7.290 1.00 . A A . 3 TRP CE2 1 1
23 4344 1 1 3 TRP CE3 C -2.164 2.989 5.798 1.00 . A A . 3 TRP CE3 1 1
23 4345 1 1 3 TRP CG C -4.300 1.674 6.311 1.00 . A A . 3 TRP CG 1 1
23 4346 1 1 3 TRP CH2 C -2.059 5.123 6.966 1.00 . A A . 3 TRP CH2 1 1
23 4347 1 1 3 TRP CZ2 C -3.299 4.902 7.572 1.00 . A A . 3 TRP CZ2 1 1
23 4348 1 1 3 TRP CZ3 C -1.501 4.181 6.093 1.00 . A A . 3 TRP CZ3 1 1
23 4349 1 1 3 TRP H H -6.668 -0.569 5.543 1.00 . A A . 3 TRP H 1 1
23 4350 1 1 3 TRP HA H -5.089 1.255 3.761 1.00 . A A . 3 TRP HA 1 1
23 4351 1 1 3 TRP HB2 H -4.265 -0.493 6.145 1.00 . A A . 3 TRP HB2 1 1
23 4352 1 1 3 TRP HB3 H -3.101 0.319 5.136 1.00 . A A . 3 TRP HB3 1 1
23 4353 1 1 3 TRP HD1 H -6.274 1.393 7.274 1.00 . A A . 3 TRP HD1 1 1
23 4354 1 1 3 TRP HE1 H -5.853 3.746 8.405 1.00 . A A . 3 TRP HE1 1 1
23 4355 1 1 3 TRP HE3 H -1.720 2.273 5.121 1.00 . A A . 3 TRP HE3 1 1
23 4356 1 1 3 TRP HH2 H -1.522 6.037 7.175 1.00 . A A . 3 TRP HH2 1 1
23 4357 1 1 3 TRP HZ2 H -3.719 5.637 8.243 1.00 . A A . 3 TRP HZ2 1 1
23 4358 1 1 3 TRP HZ3 H -0.543 4.383 5.639 1.00 . A A . 3 TRP HZ3 1 1
23 4359 1 1 3 TRP N N -6.472 -0.016 4.711 1.00 . A A . 3 TRP N 1 1
23 4360 1 1 3 TRP NE1 N -5.216 3.261 7.762 1.00 . A A . 3 TRP NE1 1 1
23 4361 1 1 3 TRP O O -4.324 -1.955 3.641 1.00 . A A . 3 TRP O 1 1
23 4362 1 1 4 GLY C C -2.558 -1.078 0.622 1.00 . A A . 4 GLY C 1 1
23 4363 1 1 4 GLY CA C -4.048 -1.353 0.892 1.00 . A A . 4 GLY CA 1 1
23 4364 1 1 4 GLY H H -4.758 0.536 1.779 1.00 . A A . 4 GLY H 1 1
23 4365 1 1 4 GLY HA2 H -4.231 -2.420 1.128 1.00 . A A . 4 GLY HA2 1 1
23 4366 1 1 4 GLY HA3 H -4.627 -1.159 -0.029 1.00 . A A . 4 GLY HA3 1 1
23 4367 1 1 4 GLY N N -4.529 -0.446 1.963 1.00 . A A . 4 GLY N 1 1
23 4368 1 1 4 GLY O O -2.225 -0.317 -0.290 1.00 . A A . 4 GLY O 1 1
23 4369 1 1 5 BCX C C 1.947 -2.421 0.265 1.00 . A A . 5 BCX C 1 1
23 4370 1 1 5 BCX CA C -0.221 -1.526 1.332 1.00 . A A . 5 BCX CA 1 1
23 4371 1 1 5 BCX CB C 0.318 -1.202 2.746 1.00 . A A . 5 BCX CB 1 1
23 4372 1 1 5 BCX CC C 0.484 -2.722 0.680 1.00 . A A . 5 BCX CC 1 1
23 4373 1 1 5 BCX H H -2.127 -2.229 2.194 1.00 . A A . 5 BCX H 1 1
23 4374 1 1 5 BCX HA H 0.021 -0.693 0.663 1.00 . A A . 5 BCX HA 1 1
23 4375 1 1 5 BCX HB2 H 0.255 -2.078 3.416 1.00 . A A . 5 BCX HB2 1 1
23 4376 1 1 5 BCX HB3 H 1.389 -0.921 2.704 1.00 . A A . 5 BCX HB3 1 1
23 4377 1 1 5 BCX HC1 H -0.064 -2.994 -0.242 1.00 . A A . 5 BCX HC1 1 1
23 4378 1 1 5 BCX HC2 H 0.390 -3.610 1.336 1.00 . A A . 5 BCX HC2 1 1
23 4379 1 1 5 BCX N N -1.686 -1.712 1.426 1.00 . A A . 5 BCX N 1 1
23 4380 1 1 5 BCX O O 2.246 -1.405 -0.366 1.00 . A A . 5 BCX O 1 1
23 4381 1 1 5 BCX SG S -0.576 0.162 3.516 1.00 . A A . 5 BCX SG 1 1
23 4382 1 1 6 SER C C 3.614 -4.303 -1.671 1.00 . A A . 6 SER C 1 1
23 4383 1 1 6 SER CA C 4.029 -3.616 -0.336 1.00 . A A . 6 SER CA 1 1
23 4384 1 1 6 SER CB C 5.081 -4.385 0.494 1.00 . A A . 6 SER CB 1 1
23 4385 1 1 6 SER H H 2.291 -4.181 0.926 1.00 . A A . 6 SER H 1 1
23 4386 1 1 6 SER HA H 4.491 -2.630 -0.553 1.00 . A A . 6 SER HA 1 1
23 4387 1 1 6 SER HB2 H 5.302 -3.847 1.437 1.00 . A A . 6 SER HB2 1 1
23 4388 1 1 6 SER HB3 H 4.712 -5.385 0.791 1.00 . A A . 6 SER HB3 1 1
23 4389 1 1 6 SER HG H 6.891 -5.028 0.314 1.00 . A A . 6 SER HG 1 1
23 4390 1 1 6 SER N N 2.804 -3.413 0.494 1.00 . A A . 6 SER N 1 1
23 4391 1 1 6 SER O O 3.588 -5.532 -1.792 1.00 . A A . 6 SER O 1 1
23 4392 1 1 6 SER OG O 6.292 -4.524 -0.243 1.00 . A A . 6 SER OG 1 1
23 4393 1 1 7 GLY C C 1.644 -2.969 -4.475 1.00 . A A . 7 GLY C 1 1
23 4394 1 1 7 GLY CA C 2.780 -3.897 -3.980 1.00 . A A . 7 GLY CA 1 1
23 4395 1 1 7 GLY H H 3.236 -2.465 -2.370 1.00 . A A . 7 GLY H 1 1
23 4396 1 1 7 GLY HA2 H 3.615 -3.888 -4.704 1.00 . A A . 7 GLY HA2 1 1
23 4397 1 1 7 GLY HA3 H 2.405 -4.939 -3.961 1.00 . A A . 7 GLY HA3 1 1
23 4398 1 1 7 GLY N N 3.277 -3.454 -2.655 1.00 . A A . 7 GLY N 1 1
23 4399 1 1 7 GLY O O 1.712 -2.468 -5.599 1.00 . A A . 7 GLY O 1 1
23 4400 1 1 8 LYS C C -0.123 -0.368 -3.874 1.00 . A A . 8 LYS C 1 1
23 4401 1 1 8 LYS CA C -0.548 -1.870 -3.956 1.00 . A A . 8 LYS CA 1 1
23 4402 1 1 8 LYS CB C -1.754 -2.210 -3.028 1.00 . A A . 8 LYS CB 1 1
23 4403 1 1 8 LYS CD C -3.603 -3.841 -2.313 1.00 . A A . 8 LYS CD 1 1
23 4404 1 1 8 LYS CE C -4.302 -5.202 -2.497 1.00 . A A . 8 LYS CE 1 1
23 4405 1 1 8 LYS CG C -2.442 -3.568 -3.295 1.00 . A A . 8 LYS CG 1 1
23 4406 1 1 8 LYS H H 0.723 -3.141 -2.698 1.00 . A A . 8 LYS H 1 1
23 4407 1 1 8 LYS HA H -0.872 -2.061 -4.998 1.00 . A A . 8 LYS HA 1 1
23 4408 1 1 8 LYS HB2 H -1.437 -2.172 -1.967 1.00 . A A . 8 LYS HB2 1 1
23 4409 1 1 8 LYS HB3 H -2.524 -1.418 -3.114 1.00 . A A . 8 LYS HB3 1 1
23 4410 1 1 8 LYS HD2 H -3.208 -3.800 -1.280 1.00 . A A . 8 LYS HD2 1 1
23 4411 1 1 8 LYS HD3 H -4.349 -3.024 -2.365 1.00 . A A . 8 LYS HD3 1 1
23 4412 1 1 8 LYS HE2 H -3.561 -6.023 -2.496 1.00 . A A . 8 LYS HE2 1 1
23 4413 1 1 8 LYS HE3 H -4.960 -5.396 -1.630 1.00 . A A . 8 LYS HE3 1 1
23 4414 1 1 8 LYS HG2 H -2.814 -3.593 -4.336 1.00 . A A . 8 LYS HG2 1 1
23 4415 1 1 8 LYS HG3 H -1.700 -4.385 -3.220 1.00 . A A . 8 LYS HG3 1 1
23 4416 1 1 8 LYS HZ1 H -4.528 -5.101 -4.551 1.00 . A A . 8 LYS HZ1 1 1
23 4417 1 1 8 LYS HZ2 H -5.817 -4.520 -3.731 1.00 . A A . 8 LYS HZ2 1 1
23 4418 1 1 8 LYS N N 0.599 -2.762 -3.642 1.00 . A A . 8 LYS N 1 1
23 4419 1 1 8 LYS NZ N -5.116 -5.271 -3.727 1.00 . A A . 8 LYS NZ 1 1
23 4420 1 1 8 LYS O O -0.171 0.319 -4.898 1.00 . A A . 8 LYS O 1 1
23 4421 1 1 9 LEU C C 1.618 1.527 -1.229 1.00 . A A . 9 LEU C 1 1
23 4422 1 1 9 LEU CA C 0.727 1.542 -2.499 1.00 . A A . 9 LEU CA 1 1
23 4423 1 1 9 LEU CB C -0.555 2.403 -2.331 1.00 . A A . 9 LEU CB 1 1
23 4424 1 1 9 LEU CD1 C -1.804 4.601 -2.561 1.00 . A A . 9 LEU CD1 1 1
23 4425 1 1 9 LEU CD2 C 0.282 4.572 -1.162 1.00 . A A . 9 LEU CD2 1 1
23 4426 1 1 9 LEU CG C -0.416 3.951 -2.390 1.00 . A A . 9 LEU CG 1 1
23 4427 1 1 9 LEU H H 0.221 -0.468 -1.869 1.00 . A A . 9 LEU H 1 1
23 4428 1 1 9 LEU HA H 1.288 1.895 -3.387 1.00 . A A . 9 LEU HA 1 1
23 4429 1 1 9 LEU HB2 H -1.240 2.098 -3.146 1.00 . A A . 9 LEU HB2 1 1
23 4430 1 1 9 LEU HB3 H -1.073 2.083 -1.405 1.00 . A A . 9 LEU HB3 1 1
23 4431 1 1 9 LEU HD11 H -2.470 4.391 -1.704 1.00 . A A . 9 LEU HD11 1 1
23 4432 1 1 9 LEU HD12 H -1.733 5.700 -2.661 1.00 . A A . 9 LEU HD12 1 1
23 4433 1 1 9 LEU HD13 H -2.317 4.236 -3.471 1.00 . A A . 9 LEU HD13 1 1
23 4434 1 1 9 LEU HD21 H -0.208 4.283 -0.214 1.00 . A A . 9 LEU HD21 1 1
23 4435 1 1 9 LEU HD22 H 1.341 4.267 -1.092 1.00 . A A . 9 LEU HD22 1 1
23 4436 1 1 9 LEU HD23 H 0.288 5.678 -1.206 1.00 . A A . 9 LEU HD23 1 1
23 4437 1 1 9 LEU HG H 0.178 4.210 -3.287 1.00 . A A . 9 LEU HG 1 1
23 4438 1 1 9 LEU N N 0.305 0.134 -2.692 1.00 . A A . 9 LEU N 1 1
23 4439 1 1 9 LEU O O 1.099 1.344 -0.123 1.00 . A A . 9 LEU O 1 1
23 4440 1 1 10 ILE C C 3.503 2.752 0.914 1.00 . A A . 10 ILE C 1 1
23 4441 1 1 10 ILE CA C 3.901 1.736 -0.213 1.00 . A A . 10 ILE CA 1 1
23 4442 1 1 10 ILE CB C 5.410 1.830 -0.656 1.00 . A A . 10 ILE CB 1 1
23 4443 1 1 10 ILE CD1 C 5.529 4.317 -1.536 1.00 . A A . 10 ILE CD1 1 1
23 4444 1 1 10 ILE CG1 C 5.805 2.829 -1.789 1.00 . A A . 10 ILE CG1 1 1
23 4445 1 1 10 ILE CG2 C 5.950 0.431 -1.049 1.00 . A A . 10 ILE CG2 1 1
23 4446 1 1 10 ILE H H 3.274 1.814 -2.335 1.00 . A A . 10 ILE H 1 1
23 4447 1 1 10 ILE HA H 3.787 0.724 0.233 1.00 . A A . 10 ILE HA 1 1
23 4448 1 1 10 ILE HB H 5.998 2.120 0.237 1.00 . A A . 10 ILE HB 1 1
23 4449 1 1 10 ILE HD11 H 5.945 4.657 -0.570 1.00 . A A . 10 ILE HD11 1 1
23 4450 1 1 10 ILE HD12 H 5.980 4.946 -2.326 1.00 . A A . 10 ILE HD12 1 1
23 4451 1 1 10 ILE HD13 H 4.446 4.537 -1.536 1.00 . A A . 10 ILE HD13 1 1
23 4452 1 1 10 ILE HG12 H 6.890 2.736 -1.989 1.00 . A A . 10 ILE HG12 1 1
23 4453 1 1 10 ILE HG13 H 5.319 2.538 -2.740 1.00 . A A . 10 ILE HG13 1 1
23 4454 1 1 10 ILE HG21 H 5.816 -0.305 -0.234 1.00 . A A . 10 ILE HG21 1 1
23 4455 1 1 10 ILE HG22 H 5.437 0.023 -1.939 1.00 . A A . 10 ILE HG22 1 1
23 4456 1 1 10 ILE HG23 H 7.032 0.450 -1.273 1.00 . A A . 10 ILE HG23 1 1
23 4457 1 1 10 ILE N N 2.945 1.739 -1.368 1.00 . A A . 10 ILE N 1 1
23 4458 1 1 10 ILE O O 3.462 3.967 0.703 1.00 . A A . 10 ILE O 1 1
23 4459 1 1 11 CYS C C 3.920 3.483 4.157 1.00 . A A . 11 CYS C 1 1
23 4460 1 1 11 CYS CA C 2.732 3.023 3.269 1.00 . A A . 11 CYS CA 1 1
23 4461 1 1 11 CYS CB C 1.667 2.213 4.032 1.00 . A A . 11 CYS CB 1 1
23 4462 1 1 11 CYS H H 3.310 1.203 2.174 1.00 . A A . 11 CYS H 1 1
23 4463 1 1 11 CYS HA H 2.180 3.908 2.900 1.00 . A A . 11 CYS HA 1 1
23 4464 1 1 11 CYS HB2 H 2.075 1.256 4.409 1.00 . A A . 11 CYS HB2 1 1
23 4465 1 1 11 CYS HB3 H 1.304 2.767 4.918 1.00 . A A . 11 CYS HB3 1 1
23 4466 1 1 11 CYS N N 3.178 2.216 2.108 1.00 . A A . 11 CYS N 1 1
23 4467 1 1 11 CYS O O 4.232 2.881 5.190 1.00 . A A . 11 CYS O 1 1
23 4468 1 1 11 CYS SG S 0.262 1.878 2.949 1.00 . A A . 11 CYS SG 1 1
23 4469 1 1 12 THR C C 5.226 6.114 5.585 1.00 . A A . 12 THR C 1 1
23 4470 1 1 12 THR CA C 5.728 5.178 4.449 1.00 . A A . 12 THR CA 1 1
23 4471 1 1 12 THR CB C 6.700 5.916 3.479 1.00 . A A . 12 THR CB 1 1
23 4472 1 1 12 THR CG2 C 7.387 5.010 2.440 1.00 . A A . 12 THR CG2 1 1
23 4473 1 1 12 THR H H 4.339 4.862 2.779 1.00 . A A . 12 THR H 1 1
23 4474 1 1 12 THR HA H 6.314 4.349 4.883 1.00 . A A . 12 THR HA 1 1
23 4475 1 1 12 THR HB H 7.508 6.371 4.084 1.00 . A A . 12 THR HB 1 1
23 4476 1 1 12 THR HG1 H 5.601 7.495 3.467 1.00 . A A . 12 THR HG1 1 1
23 4477 1 1 12 THR HG21 H 7.968 4.203 2.925 1.00 . A A . 12 THR HG21 1 1
23 4478 1 1 12 THR HG22 H 6.656 4.530 1.764 1.00 . A A . 12 THR HG22 1 1
23 4479 1 1 12 THR HG23 H 8.089 5.584 1.809 1.00 . A A . 12 THR HG23 1 1
23 4480 1 1 12 THR N N 4.566 4.585 3.737 1.00 . A A . 12 THR N 1 1
23 4481 1 1 12 THR O O 4.683 7.192 5.318 1.00 . A A . 12 THR O 1 1
23 4482 1 1 12 THR OG1 O 6.036 6.971 2.787 1.00 . A A . 12 THR OG1 1 1
23 4483 1 1 13 THR C C 6.079 6.236 9.106 1.00 . A A . 13 THR C 1 1
23 4484 1 1 13 THR CA C 4.968 6.451 8.038 1.00 . A A . 13 THR CA 1 1
23 4485 1 1 13 THR CB C 3.575 6.032 8.586 1.00 . A A . 13 THR CB 1 1
23 4486 1 1 13 THR CG2 C 2.977 7.003 9.620 1.00 . A A . 13 THR CG2 1 1
23 4487 1 1 13 THR H H 5.938 4.814 6.944 1.00 . A A . 13 THR H 1 1
23 4488 1 1 13 THR HA H 4.894 7.526 7.764 1.00 . A A . 13 THR HA 1 1
23 4489 1 1 13 THR HB H 3.708 5.058 9.078 1.00 . A A . 13 THR HB 1 1
23 4490 1 1 13 THR HG1 H 3.038 5.351 6.868 1.00 . A A . 13 THR HG1 1 1
23 4491 1 1 13 THR HG21 H 2.001 6.640 9.989 1.00 . A A . 13 THR HG21 1 1
23 4492 1 1 13 THR HG22 H 3.631 7.123 10.503 1.00 . A A . 13 THR HG22 1 1
23 4493 1 1 13 THR HG23 H 2.810 8.008 9.190 1.00 . A A . 13 THR HG23 1 1
23 4494 1 1 13 THR N N 5.392 5.674 6.845 1.00 . A A . 13 THR N 1 1
23 4495 1 1 13 THR O O 6.318 5.130 9.602 1.00 . A A . 13 THR O 1 1
23 4496 1 1 13 THR OG1 O 2.619 5.898 7.538 1.00 . A A . 13 THR OG1 1 1
23 4497 1 1 14 ALA C C 7.271 7.702 11.844 1.00 . A A . 14 ALA C 1 1
23 4498 1 1 14 ALA CA C 7.825 7.403 10.432 1.00 . A A . 14 ALA CA 1 1
23 4499 1 1 14 ALA CB C 8.846 8.465 9.986 1.00 . A A . 14 ALA CB 1 1
23 4500 1 1 14 ALA H H 6.353 8.136 8.905 1.00 . A A . 14 ALA H 1 1
23 4501 1 1 14 ALA HXT H 7.083 6.841 13.568 1.00 . A A . 14 ALA HXT 1 1
23 4502 1 1 14 ALA HA H 8.363 6.434 10.455 1.00 . A A . 14 ALA HA 1 1
23 4503 1 1 14 ALA HB1 H 9.701 8.523 10.685 1.00 . A A . 14 ALA HB1 1 1
23 4504 1 1 14 ALA HB2 H 9.268 8.234 8.989 1.00 . A A . 14 ALA HB2 1 1
23 4505 1 1 14 ALA HB3 H 8.404 9.479 9.928 1.00 . A A . 14 ALA HB3 1 1
23 4506 1 1 14 ALA N N 6.727 7.349 9.438 1.00 . A A . 14 ALA N 1 1
23 4507 1 1 14 ALA O O 6.733 8.762 12.166 1.00 . A A . 14 ALA O 1 1
23 4508 1 1 14 ALA OXT O 7.439 6.643 12.699 1.00 . A A . 14 ALA OXT 1 1
24 4509 1 1 1 ACE C C -3.196 4.030 8.020 1.00 . A A . 1 ACE C 1 1
24 4510 1 1 1 ACE CH3 C -3.897 4.833 9.110 1.00 . A A . 1 ACE CH3 1 1
24 4511 1 1 1 ACE H1 H -4.438 4.176 9.819 1.00 . A A . 1 ACE H1 1 1
24 4512 1 1 1 ACE H2 H -3.176 5.439 9.687 1.00 . A A . 1 ACE H2 1 1
24 4513 1 1 1 ACE H3 H -4.641 5.525 8.677 1.00 . A A . 1 ACE H3 1 1
24 4514 1 1 1 ACE O O -3.386 4.291 6.831 1.00 . A A . 1 ACE O 1 1
24 4515 1 1 2 ILE C C -2.499 0.958 7.064 1.00 . A A . 2 ILE C 1 1
24 4516 1 1 2 ILE CA C -1.612 2.151 7.548 1.00 . A A . 2 ILE CA 1 1
24 4517 1 1 2 ILE CB C -0.231 1.724 8.186 1.00 . A A . 2 ILE CB 1 1
24 4518 1 1 2 ILE CD1 C -1.035 0.196 10.192 1.00 . A A . 2 ILE CD1 1 1
24 4519 1 1 2 ILE CG1 C -0.168 1.365 9.707 1.00 . A A . 2 ILE CG1 1 1
24 4520 1 1 2 ILE CG2 C 0.856 2.795 7.922 1.00 . A A . 2 ILE CG2 1 1
24 4521 1 1 2 ILE H H -2.378 2.930 9.472 1.00 . A A . 2 ILE H 1 1
24 4522 1 1 2 ILE HA H -1.360 2.716 6.628 1.00 . A A . 2 ILE HA 1 1
24 4523 1 1 2 ILE HB H 0.103 0.824 7.634 1.00 . A A . 2 ILE HB 1 1
24 4524 1 1 2 ILE HD11 H -2.114 0.406 10.074 1.00 . A A . 2 ILE HD11 1 1
24 4525 1 1 2 ILE HD12 H -0.810 -0.736 9.641 1.00 . A A . 2 ILE HD12 1 1
24 4526 1 1 2 ILE HD13 H -0.864 -0.010 11.265 1.00 . A A . 2 ILE HD13 1 1
24 4527 1 1 2 ILE HG12 H 0.878 1.122 9.979 1.00 . A A . 2 ILE HG12 1 1
24 4528 1 1 2 ILE HG13 H -0.414 2.257 10.314 1.00 . A A . 2 ILE HG13 1 1
24 4529 1 1 2 ILE HG21 H 0.662 3.729 8.481 1.00 . A A . 2 ILE HG21 1 1
24 4530 1 1 2 ILE HG22 H 1.865 2.445 8.213 1.00 . A A . 2 ILE HG22 1 1
24 4531 1 1 2 ILE HG23 H 0.923 3.069 6.854 1.00 . A A . 2 ILE HG23 1 1
24 4532 1 1 2 ILE N N -2.391 3.050 8.455 1.00 . A A . 2 ILE N 1 1
24 4533 1 1 2 ILE O O -2.382 -0.176 7.538 1.00 . A A . 2 ILE O 1 1
24 4534 1 1 3 TRP C C -4.144 0.132 3.983 1.00 . A A . 3 TRP C 1 1
24 4535 1 1 3 TRP CA C -4.327 0.240 5.520 1.00 . A A . 3 TRP CA 1 1
24 4536 1 1 3 TRP CB C -5.788 0.611 5.913 1.00 . A A . 3 TRP CB 1 1
24 4537 1 1 3 TRP CD1 C -5.679 -0.100 8.454 1.00 . A A . 3 TRP CD1 1 1
24 4538 1 1 3 TRP CD2 C -6.644 1.869 8.067 1.00 . A A . 3 TRP CD2 1 1
24 4539 1 1 3 TRP CE2 C -6.592 1.628 9.465 1.00 . A A . 3 TRP CE2 1 1
24 4540 1 1 3 TRP CE3 C -7.165 3.093 7.571 1.00 . A A . 3 TRP CE3 1 1
24 4541 1 1 3 TRP CG C -6.076 0.782 7.422 1.00 . A A . 3 TRP CG 1 1
24 4542 1 1 3 TRP CH2 C -7.586 3.796 9.865 1.00 . A A . 3 TRP CH2 1 1
24 4543 1 1 3 TRP CZ2 C -7.067 2.603 10.372 1.00 . A A . 3 TRP CZ2 1 1
24 4544 1 1 3 TRP CZ3 C -7.634 4.037 8.486 1.00 . A A . 3 TRP CZ3 1 1
24 4545 1 1 3 TRP H H -3.455 2.219 5.850 1.00 . A A . 3 TRP H 1 1
24 4546 1 1 3 TRP HA H -4.121 -0.737 5.977 1.00 . A A . 3 TRP HA 1 1
24 4547 1 1 3 TRP HB2 H -6.085 1.533 5.377 1.00 . A A . 3 TRP HB2 1 1
24 4548 1 1 3 TRP HB3 H -6.473 -0.166 5.525 1.00 . A A . 3 TRP HB3 1 1
24 4549 1 1 3 TRP HD1 H -5.095 -0.994 8.292 1.00 . A A . 3 TRP HD1 1 1
24 4550 1 1 3 TRP HE1 H -5.781 -0.007 10.642 1.00 . A A . 3 TRP HE1 1 1
24 4551 1 1 3 TRP HE3 H -7.196 3.300 6.511 1.00 . A A . 3 TRP HE3 1 1
24 4552 1 1 3 TRP HH2 H -7.951 4.549 10.548 1.00 . A A . 3 TRP HH2 1 1
24 4553 1 1 3 TRP HZ2 H -7.023 2.435 11.439 1.00 . A A . 3 TRP HZ2 1 1
24 4554 1 1 3 TRP HZ3 H -8.032 4.974 8.125 1.00 . A A . 3 TRP HZ3 1 1
24 4555 1 1 3 TRP N N -3.371 1.230 6.074 1.00 . A A . 3 TRP N 1 1
24 4556 1 1 3 TRP NE1 N -5.999 0.404 9.727 1.00 . A A . 3 TRP NE1 1 1
24 4557 1 1 3 TRP O O -4.365 1.103 3.248 1.00 . A A . 3 TRP O 1 1
24 4558 1 1 4 GLY C C -2.089 -0.904 1.635 1.00 . A A . 4 GLY C 1 1
24 4559 1 1 4 GLY CA C -3.510 -1.319 2.065 1.00 . A A . 4 GLY CA 1 1
24 4560 1 1 4 GLY H H -3.587 -1.780 4.224 1.00 . A A . 4 GLY H 1 1
24 4561 1 1 4 GLY HA2 H -3.679 -2.392 1.853 1.00 . A A . 4 GLY HA2 1 1
24 4562 1 1 4 GLY HA3 H -4.258 -0.788 1.445 1.00 . A A . 4 GLY HA3 1 1
24 4563 1 1 4 GLY N N -3.745 -1.062 3.508 1.00 . A A . 4 GLY N 1 1
24 4564 1 1 4 GLY O O -1.913 0.178 1.068 1.00 . A A . 4 GLY O 1 1
24 4565 1 1 5 BCX C C 2.302 -2.372 0.160 1.00 . A A . 5 BCX C 1 1
24 4566 1 1 5 BCX CA C 0.321 -1.491 1.582 1.00 . A A . 5 BCX CA 1 1
24 4567 1 1 5 BCX CB C 1.076 -1.154 2.892 1.00 . A A . 5 BCX CB 1 1
24 4568 1 1 5 BCX CC C 0.929 -2.670 0.808 1.00 . A A . 5 BCX CC 1 1
24 4569 1 1 5 BCX H H -1.387 -2.620 2.401 1.00 . A A . 5 BCX H 1 1
24 4570 1 1 5 BCX HA H 0.419 -0.649 0.884 1.00 . A A . 5 BCX HA 1 1
24 4571 1 1 5 BCX HB2 H 1.315 -2.063 3.471 1.00 . A A . 5 BCX HB2 1 1
24 4572 1 1 5 BCX HB3 H 2.034 -0.653 2.670 1.00 . A A . 5 BCX HB3 1 1
24 4573 1 1 5 BCX HC1 H 0.245 -2.937 -0.024 1.00 . A A . 5 BCX HC1 1 1
24 4574 1 1 5 BCX HC2 H 0.944 -3.571 1.454 1.00 . A A . 5 BCX HC2 1 1
24 4575 1 1 5 BCX N N -1.097 -1.771 1.904 1.00 . A A . 5 BCX N 1 1
24 4576 1 1 5 BCX O O 2.467 -1.394 -0.570 1.00 . A A . 5 BCX O 1 1
24 4577 1 1 5 BCX SG S 0.141 -0.077 3.996 1.00 . A A . 5 BCX SG 1 1
24 4578 1 1 6 SER C C 3.650 -4.399 -1.870 1.00 . A A . 6 SER C 1 1
24 4579 1 1 6 SER CA C 4.283 -3.588 -0.699 1.00 . A A . 6 SER CA 1 1
24 4580 1 1 6 SER CB C 5.489 -4.277 -0.020 1.00 . A A . 6 SER CB 1 1
24 4581 1 1 6 SER H H 2.793 -4.086 0.858 1.00 . A A . 6 SER H 1 1
24 4582 1 1 6 SER HA H 4.669 -2.618 -1.078 1.00 . A A . 6 SER HA 1 1
24 4583 1 1 6 SER HB2 H 5.856 -3.672 0.833 1.00 . A A . 6 SER HB2 1 1
24 4584 1 1 6 SER HB3 H 5.210 -5.262 0.400 1.00 . A A . 6 SER HB3 1 1
24 4585 1 1 6 SER HG H 7.258 -4.896 -0.477 1.00 . A A . 6 SER HG 1 1
24 4586 1 1 6 SER N N 3.214 -3.334 0.312 1.00 . A A . 6 SER N 1 1
24 4587 1 1 6 SER O O 3.620 -5.633 -1.871 1.00 . A A . 6 SER O 1 1
24 4588 1 1 6 SER OG O 6.555 -4.442 -0.949 1.00 . A A . 6 SER OG 1 1
24 4589 1 1 7 GLY C C 1.297 -3.227 -4.464 1.00 . A A . 7 GLY C 1 1
24 4590 1 1 7 GLY CA C 2.404 -4.208 -4.014 1.00 . A A . 7 GLY CA 1 1
24 4591 1 1 7 GLY H H 3.133 -2.633 -2.665 1.00 . A A . 7 GLY H 1 1
24 4592 1 1 7 GLY HA2 H 3.116 -4.385 -4.842 1.00 . A A . 7 GLY HA2 1 1
24 4593 1 1 7 GLY HA3 H 1.946 -5.190 -3.783 1.00 . A A . 7 GLY HA3 1 1
24 4594 1 1 7 GLY N N 3.129 -3.646 -2.849 1.00 . A A . 7 GLY N 1 1
24 4595 1 1 7 GLY O O 1.222 -2.895 -5.650 1.00 . A A . 7 GLY O 1 1
24 4596 1 1 8 LYS C C -0.006 -0.386 -3.909 1.00 . A A . 8 LYS C 1 1
24 4597 1 1 8 LYS CA C -0.649 -1.806 -3.786 1.00 . A A . 8 LYS CA 1 1
24 4598 1 1 8 LYS CB C -1.722 -1.933 -2.658 1.00 . A A . 8 LYS CB 1 1
24 4599 1 1 8 LYS CD C -4.039 -1.224 -1.799 1.00 . A A . 8 LYS CD 1 1
24 4600 1 1 8 LYS CE C -5.351 -0.485 -2.115 1.00 . A A . 8 LYS CE 1 1
24 4601 1 1 8 LYS CG C -3.034 -1.176 -2.965 1.00 . A A . 8 LYS CG 1 1
24 4602 1 1 8 LYS H H 0.697 -3.011 -2.559 1.00 . A A . 8 LYS H 1 1
24 4603 1 1 8 LYS HA H -1.134 -2.059 -4.750 1.00 . A A . 8 LYS HA 1 1
24 4604 1 1 8 LYS HB2 H -1.965 -2.997 -2.471 1.00 . A A . 8 LYS HB2 1 1
24 4605 1 1 8 LYS HB3 H -1.306 -1.579 -1.690 1.00 . A A . 8 LYS HB3 1 1
24 4606 1 1 8 LYS HD2 H -4.255 -2.277 -1.535 1.00 . A A . 8 LYS HD2 1 1
24 4607 1 1 8 LYS HD3 H -3.569 -0.775 -0.906 1.00 . A A . 8 LYS HD3 1 1
24 4608 1 1 8 LYS HE2 H -5.148 0.568 -2.388 1.00 . A A . 8 LYS HE2 1 1
24 4609 1 1 8 LYS HE3 H -5.850 -0.942 -2.990 1.00 . A A . 8 LYS HE3 1 1
24 4610 1 1 8 LYS HG2 H -2.808 -0.119 -3.203 1.00 . A A . 8 LYS HG2 1 1
24 4611 1 1 8 LYS HG3 H -3.498 -1.597 -3.877 1.00 . A A . 8 LYS HG3 1 1
24 4612 1 1 8 LYS HZ1 H -5.851 -0.024 -0.163 1.00 . A A . 8 LYS HZ1 1 1
24 4613 1 1 8 LYS HZ2 H -7.133 -0.011 -1.177 1.00 . A A . 8 LYS HZ2 1 1
24 4614 1 1 8 LYS N N 0.428 -2.789 -3.523 1.00 . A A . 8 LYS N 1 1
24 4615 1 1 8 LYS NZ N -6.268 -0.519 -0.960 1.00 . A A . 8 LYS NZ 1 1
24 4616 1 1 8 LYS O O 0.057 0.161 -5.013 1.00 . A A . 8 LYS O 1 1
24 4617 1 1 9 LEU C C 1.796 1.556 -1.317 1.00 . A A . 9 LEU C 1 1
24 4618 1 1 9 LEU CA C 1.132 1.506 -2.720 1.00 . A A . 9 LEU CA 1 1
24 4619 1 1 9 LEU CB C 0.054 2.607 -2.905 1.00 . A A . 9 LEU CB 1 1
24 4620 1 1 9 LEU CD1 C 1.527 4.477 -3.906 1.00 . A A . 9 LEU CD1 1 1
24 4621 1 1 9 LEU CD2 C -0.724 5.024 -2.904 1.00 . A A . 9 LEU CD2 1 1
24 4622 1 1 9 LEU CG C 0.500 4.094 -2.821 1.00 . A A . 9 LEU CG 1 1
24 4623 1 1 9 LEU H H 0.304 -0.334 -1.917 1.00 . A A . 9 LEU H 1 1
24 4624 1 1 9 LEU HA H 1.881 1.586 -3.532 1.00 . A A . 9 LEU HA 1 1
24 4625 1 1 9 LEU HB2 H -0.433 2.429 -3.882 1.00 . A A . 9 LEU HB2 1 1
24 4626 1 1 9 LEU HB3 H -0.737 2.413 -2.153 1.00 . A A . 9 LEU HB3 1 1
24 4627 1 1 9 LEU HD11 H 1.821 5.541 -3.833 1.00 . A A . 9 LEU HD11 1 1
24 4628 1 1 9 LEU HD12 H 2.458 3.889 -3.814 1.00 . A A . 9 LEU HD12 1 1
24 4629 1 1 9 LEU HD13 H 1.134 4.313 -4.927 1.00 . A A . 9 LEU HD13 1 1
24 4630 1 1 9 LEU HD21 H -0.437 6.087 -2.796 1.00 . A A . 9 LEU HD21 1 1
24 4631 1 1 9 LEU HD22 H -1.258 4.926 -3.868 1.00 . A A . 9 LEU HD22 1 1
24 4632 1 1 9 LEU HD23 H -1.454 4.810 -2.102 1.00 . A A . 9 LEU HD23 1 1
24 4633 1 1 9 LEU HG H 0.969 4.266 -1.833 1.00 . A A . 9 LEU HG 1 1
24 4634 1 1 9 LEU N N 0.490 0.176 -2.786 1.00 . A A . 9 LEU N 1 1
24 4635 1 1 9 LEU O O 1.089 1.494 -0.302 1.00 . A A . 9 LEU O 1 1
24 4636 1 1 10 ILE C C 3.338 2.817 1.041 1.00 . A A . 10 ILE C 1 1
24 4637 1 1 10 ILE CA C 3.896 1.740 0.049 1.00 . A A . 10 ILE CA 1 1
24 4638 1 1 10 ILE CB C 5.447 1.871 -0.154 1.00 . A A . 10 ILE CB 1 1
24 4639 1 1 10 ILE CD1 C 7.344 3.585 -0.652 1.00 . A A . 10 ILE CD1 1 1
24 4640 1 1 10 ILE CG1 C 5.903 3.139 -0.939 1.00 . A A . 10 ILE CG1 1 1
24 4641 1 1 10 ILE CG2 C 6.058 0.581 -0.757 1.00 . A A . 10 ILE CG2 1 1
24 4642 1 1 10 ILE H H 3.631 1.602 -2.141 1.00 . A A . 10 ILE H 1 1
24 4643 1 1 10 ILE HA H 3.732 0.750 0.523 1.00 . A A . 10 ILE HA 1 1
24 4644 1 1 10 ILE HB H 5.883 1.948 0.862 1.00 . A A . 10 ILE HB 1 1
24 4645 1 1 10 ILE HD11 H 7.588 4.511 -1.206 1.00 . A A . 10 ILE HD11 1 1
24 4646 1 1 10 ILE HD12 H 7.493 3.800 0.422 1.00 . A A . 10 ILE HD12 1 1
24 4647 1 1 10 ILE HD13 H 8.082 2.818 -0.947 1.00 . A A . 10 ILE HD13 1 1
24 4648 1 1 10 ILE HG12 H 5.766 2.990 -2.027 1.00 . A A . 10 ILE HG12 1 1
24 4649 1 1 10 ILE HG13 H 5.249 3.995 -0.691 1.00 . A A . 10 ILE HG13 1 1
24 4650 1 1 10 ILE HG21 H 5.716 0.403 -1.794 1.00 . A A . 10 ILE HG21 1 1
24 4651 1 1 10 ILE HG22 H 7.163 0.617 -0.782 1.00 . A A . 10 ILE HG22 1 1
24 4652 1 1 10 ILE HG23 H 5.787 -0.315 -0.168 1.00 . A A . 10 ILE HG23 1 1
24 4653 1 1 10 ILE N N 3.140 1.687 -1.246 1.00 . A A . 10 ILE N 1 1
24 4654 1 1 10 ILE O O 3.063 3.952 0.637 1.00 . A A . 10 ILE O 1 1
24 4655 1 1 11 CYS C C 3.622 3.646 4.463 1.00 . A A . 11 CYS C 1 1
24 4656 1 1 11 CYS CA C 2.588 3.329 3.350 1.00 . A A . 11 CYS CA 1 1
24 4657 1 1 11 CYS CB C 1.235 2.789 3.855 1.00 . A A . 11 CYS CB 1 1
24 4658 1 1 11 CYS H H 3.725 1.621 2.580 1.00 . A A . 11 CYS H 1 1
24 4659 1 1 11 CYS HA H 2.291 4.267 2.865 1.00 . A A . 11 CYS HA 1 1
24 4660 1 1 11 CYS HB2 H 0.741 3.538 4.499 1.00 . A A . 11 CYS HB2 1 1
24 4661 1 1 11 CYS HB3 H 0.539 2.623 3.010 1.00 . A A . 11 CYS HB3 1 1
24 4662 1 1 11 CYS N N 3.152 2.427 2.318 1.00 . A A . 11 CYS N 1 1
24 4663 1 1 11 CYS O O 3.678 2.980 5.502 1.00 . A A . 11 CYS O 1 1
24 4664 1 1 11 CYS SG S 1.387 1.258 4.789 1.00 . A A . 11 CYS SG 1 1
24 4665 1 1 12 THR C C 4.963 6.047 6.324 1.00 . A A . 12 THR C 1 1
24 4666 1 1 12 THR CA C 5.499 5.139 5.172 1.00 . A A . 12 THR CA 1 1
24 4667 1 1 12 THR CB C 6.721 5.772 4.428 1.00 . A A . 12 THR CB 1 1
24 4668 1 1 12 THR CG2 C 7.502 4.793 3.533 1.00 . A A . 12 THR CG2 1 1
24 4669 1 1 12 THR H H 4.383 5.082 3.285 1.00 . A A . 12 THR H 1 1
24 4670 1 1 12 THR HA H 5.891 4.233 5.658 1.00 . A A . 12 THR HA 1 1
24 4671 1 1 12 THR HB H 7.435 6.138 5.192 1.00 . A A . 12 THR HB 1 1
24 4672 1 1 12 THR HG1 H 7.134 7.231 3.227 1.00 . A A . 12 THR HG1 1 1
24 4673 1 1 12 THR HG21 H 6.875 4.400 2.710 1.00 . A A . 12 THR HG21 1 1
24 4674 1 1 12 THR HG22 H 8.380 5.279 3.071 1.00 . A A . 12 THR HG22 1 1
24 4675 1 1 12 THR HG23 H 7.875 3.925 4.107 1.00 . A A . 12 THR HG23 1 1
24 4676 1 1 12 THR N N 4.440 4.688 4.225 1.00 . A A . 12 THR N 1 1
24 4677 1 1 12 THR O O 5.154 5.718 7.497 1.00 . A A . 12 THR O 1 1
24 4678 1 1 12 THR OG1 O 6.331 6.889 3.631 1.00 . A A . 12 THR OG1 1 1
24 4679 1 1 13 THR C C 2.216 7.966 7.206 1.00 . A A . 13 THR C 1 1
24 4680 1 1 13 THR CA C 3.748 8.149 6.958 1.00 . A A . 13 THR CA 1 1
24 4681 1 1 13 THR CB C 4.121 9.620 6.590 1.00 . A A . 13 THR CB 1 1
24 4682 1 1 13 THR CG2 C 5.622 9.945 6.706 1.00 . A A . 13 THR CG2 1 1
24 4683 1 1 13 THR H H 4.170 7.284 4.981 1.00 . A A . 13 THR H 1 1
24 4684 1 1 13 THR HA H 4.234 7.971 7.935 1.00 . A A . 13 THR HA 1 1
24 4685 1 1 13 THR HB H 3.599 10.291 7.297 1.00 . A A . 13 THR HB 1 1
24 4686 1 1 13 THR HG1 H 4.092 10.828 5.092 1.00 . A A . 13 THR HG1 1 1
24 4687 1 1 13 THR HG21 H 5.823 11.011 6.493 1.00 . A A . 13 THR HG21 1 1
24 4688 1 1 13 THR HG22 H 6.006 9.738 7.722 1.00 . A A . 13 THR HG22 1 1
24 4689 1 1 13 THR HG23 H 6.228 9.350 5.996 1.00 . A A . 13 THR HG23 1 1
24 4690 1 1 13 THR N N 4.309 7.173 5.983 1.00 . A A . 13 THR N 1 1
24 4691 1 1 13 THR O O 1.817 7.922 8.375 1.00 . A A . 13 THR O 1 1
24 4692 1 1 13 THR OG1 O 3.699 9.969 5.273 1.00 . A A . 13 THR OG1 1 1
24 4693 1 1 14 ALA C C -0.469 6.226 6.662 1.00 . A A . 14 ALA C 1 1
24 4694 1 1 14 ALA CA C -0.107 7.694 6.336 1.00 . A A . 14 ALA CA 1 1
24 4695 1 1 14 ALA CB C -0.812 8.206 5.066 1.00 . A A . 14 ALA CB 1 1
24 4696 1 1 14 ALA H H 1.773 7.897 5.225 1.00 . A A . 14 ALA H 1 1
24 4697 1 1 14 ALA HXT H -0.353 6.801 8.516 1.00 . A A . 14 ALA HXT 1 1
24 4698 1 1 14 ALA HA H -0.456 8.336 7.168 1.00 . A A . 14 ALA HA 1 1
24 4699 1 1 14 ALA HB1 H -0.584 9.271 4.870 1.00 . A A . 14 ALA HB1 1 1
24 4700 1 1 14 ALA HB2 H -0.524 7.635 4.164 1.00 . A A . 14 ALA HB2 1 1
24 4701 1 1 14 ALA HB3 H -1.913 8.131 5.159 1.00 . A A . 14 ALA HB3 1 1
24 4702 1 1 14 ALA N N 1.357 7.865 6.162 1.00 . A A . 14 ALA N 1 1
24 4703 1 1 14 ALA O O -0.635 5.347 5.815 1.00 . A A . 14 ALA O 1 1
24 4704 1 1 14 ALA OXT O -0.567 6.012 8.013 1.00 . A A . 14 ALA OXT 1 1
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