NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
373557 |
1dvw   |
cing | 4-filtered-FRED | STAR | entry | full | 54 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1dvw
# This FRED archive file contains, for PDB entry <1dvw>:
#
# - 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_1dvw
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1dvw
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 2004.84
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 $18_RESIDUE_PEPTIDE_FROM_MERP_PROTEIN A . 1 1
2 . 2 $MERCURY__II__ION B . 1 1
stop_
loop_
_PDBX_nonpoly_scheme.Entity_assembly_ID
_PDBX_nonpoly_scheme.Entity_ID
_PDBX_nonpoly_scheme.Mon_ID
_PDBX_nonpoly_scheme.Comp_index_ID
_PDBX_nonpoly_scheme.Comp_ID
_PDBX_nonpoly_scheme.Entry_ID
_PDBX_nonpoly_scheme.Assembly_ID
2 2 HG 1 HG 1 1
stop_
save_
save_18_RESIDUE_PEPTIDE_FROM_MERP_PROTEIN
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "18 RESIDUE PEPTIDE FROM MERP PROTEIN"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code TLAVPGMTCAACPITVKK
_Entity.Number_of_monomers 18
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 THR . 1 1
2 LEU . 1 1
3 ALA . 1 1
4 VAL . 1 1
5 PRO . 1 1
6 GLY . 1 1
7 MET . 1 1
8 THR . 1 1
9 CYS . 1 1
10 ALA . 1 1
11 ALA . 1 1
12 CYS . 1 1
13 PRO . 1 1
14 ILE . 1 1
15 THR . 1 1
16 VAL . 1 1
17 LYS . 1 1
18 LYS . 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
THR 1 1 1 1
LEU 2 2 1 1
ALA 3 3 1 1
VAL 4 4 1 1
PRO 5 5 1 1
GLY 6 6 1 1
MET 7 7 1 1
THR 8 8 1 1
CYS 9 9 1 1
ALA 10 10 1 1
ALA 11 11 1 1
CYS 12 12 1 1
PRO 13 13 1 1
ILE 14 14 1 1
THR 15 15 1 1
VAL 16 16 1 1
LYS 17 17 1 1
LYS 18 18 1 1
stop_
save_
save_MERCURY__II__ION
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "MERCURY II ION"
_Entity.Type non-polymer
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 HG $HG 1 2
stop_
save_
save_HG
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID HG
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
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 17 LYS HA . 17 . HA 1 1
1 1 2 1 1 18 LYS H . 18 . HN 1 1
2 1 1 1 1 5 PRO HA . 5 . HA 1 1
2 1 2 1 1 6 GLY H . 6 . HN 1 1
3 1 1 1 1 9 CYS HA . 9 . HA 1 1
3 1 2 1 1 10 ALA H . 10 . HN 1 1
4 1 1 1 1 3 ALA HA . 3 . HA 1 1
4 1 2 1 1 4 VAL H . 4 . HN 1 1
5 1 1 1 1 7 MET HA . 7 . HA 1 1
5 1 2 1 1 8 THR H . 8 . HN 1 1
6 1 1 1 1 16 VAL HA . 16 . HA 1 1
6 1 2 1 1 17 LYS H . 17 . HN 1 1
7 1 1 1 1 6 GLY H . 6 . HN 1 1
7 1 2 1 1 6 GLY HA3 . 6 . HA1 1 1
8 1 1 1 1 6 GLY HA3 . 6 . HA1 1 1
8 1 2 1 1 7 MET H . 7 . 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 . . . . . 2.92 1.9 3.0 1 1
2 1 . . . . . 2.75 1.9 3.0 1 1
3 1 . . . . . 2.96 1.9 3.0 1 1
4 1 . . . . . 2.7 1.9 3.0 1 1
5 1 . . . . . 2.91 1.9 3.0 1 1
6 1 . . . . . 2.68 1.9 3.0 1 1
7 1 . . . . . 2.96 1.9 3.0 1 1
8 1 . . . . . 2.89 1.9 3.0 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_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 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
21 1 . . . 1 2
22 1 . . . 1 2
23 1 . . . 1 2
24 1 . . . 1 2
25 1 . . . 1 2
26 1 . . . 1 2
27 1 . . . 1 2
28 1 . . . 1 2
29 1 . . . 1 2
30 1 . . . 1 2
31 1 . . . 1 2
32 1 . . . 1 2
33 1 . . . 1 2
34 1 . . . 1 2
35 1 . . . 1 2
36 1 . . . 1 2
37 1 . . . 1 2
38 1 . . . 1 2
39 1 . . . 1 2
40 1 . . . 1 2
41 1 . . . 1 2
42 1 . . . 1 2
43 1 . . . 1 2
44 1 . . . 1 2
45 1 . . . 1 2
46 1 . . . 1 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 8 THR H . 8 . HN 1 2
1 1 2 1 1 8 THR HB . 8 . HB 1 2
2 1 1 1 1 9 CYS HA . 9 . HA 1 2
2 1 2 1 1 11 ALA MB . 11 . HB+ 1 2
3 1 1 1 1 9 CYS HB3 . 9 . HB1 1 2
3 1 2 1 1 12 CYS H . 12 . HN 1 2
4 1 1 1 1 7 MET H . 7 . HN 1 2
4 1 2 1 1 7 MET HB2 . 7 . HB2 1 2
5 1 1 1 1 7 MET HB2 . 7 . HB2 1 2
5 1 2 1 1 8 THR H . 8 . HN 1 2
6 1 1 1 1 7 MET H . 7 . HN 1 2
6 1 2 1 1 8 THR H . 8 . HN 1 2
7 1 1 1 1 8 THR HA . 8 . HA 1 2
7 1 2 1 1 9 CYS H . 9 . HN 1 2
8 1 1 1 1 7 MET H . 7 . HN 1 2
8 1 2 1 1 8 THR HB . 8 . HB 1 2
9 1 1 1 1 8 THR HB . 8 . HB 1 2
9 1 2 1 1 9 CYS H . 9 . HN 1 2
10 1 1 1 1 9 CYS HB2 . 9 . HB2 1 2
10 1 2 1 1 12 CYS H . 12 . HN 1 2
11 1 1 1 1 14 ILE MG . 14 . HG2+ 1 2
11 1 2 1 1 15 THR H . 15 . HN 1 2
12 1 1 1 1 11 ALA H . 11 . HN 1 2
12 1 2 1 1 14 ILE MG . 14 . HG2+ 1 2
13 1 1 1 1 8 THR H . 8 . HN 1 2
13 1 2 1 1 8 THR MG . 8 . HG2+ 1 2
14 1 1 1 1 8 THR H . 8 . HN 1 2
14 1 2 1 1 8 THR HG1 . 8 . HG1 1 2
15 1 1 1 1 11 ALA H . 11 . HN 1 2
15 1 2 1 1 13 PRO HG3 . 13 . HG1 1 2
16 1 1 1 1 9 CYS HB3 . 9 . HB1 1 2
16 1 2 1 1 11 ALA H . 11 . HN 1 2
17 1 1 1 1 11 ALA H . 11 . HN 1 2
17 1 2 1 1 13 PRO HG2 . 13 . HG2 1 2
18 1 1 1 1 13 PRO HB2 . 13 . HB2 1 2
18 1 2 1 1 14 ILE H . 14 . HN 1 2
19 1 1 1 1 10 ALA H . 10 . HN 1 2
19 1 2 1 1 10 ALA MB . 10 . HB+ 1 2
20 1 1 1 1 10 ALA H . 10 . HN 1 2
20 1 2 1 1 11 ALA H . 11 . HN 1 2
21 1 1 1 1 9 CYS HB2 . 9 . HB2 1 2
21 1 2 1 1 11 ALA H . 11 . HN 1 2
22 1 1 1 1 9 CYS H . 9 . HN 1 2
22 1 2 1 1 13 PRO HB3 . 13 . HB1 1 2
23 1 1 1 1 7 MET H . 7 . HN 1 2
23 1 2 1 1 7 MET HG3 . 7 . HG1 1 2
24 1 1 1 1 9 CYS H . 9 . HN 1 2
24 1 2 1 1 13 PRO HB2 . 13 . HB2 1 2
25 1 1 1 1 6 GLY H . 6 . HN 1 2
25 1 2 1 1 7 MET H . 7 . HN 1 2
26 1 1 1 1 13 PRO HA . 13 . HA 1 2
26 1 2 1 1 16 VAL H . 16 . HN 1 2
27 1 1 1 1 14 ILE HA . 14 . HA 1 2
27 1 2 1 1 15 THR HB . 15 . HB 1 2
28 1 1 1 1 12 CYS HA . 12 . HA 1 2
28 1 2 1 1 14 ILE HA . 14 . HA 1 2
29 1 1 1 1 15 THR HA . 15 . HA 1 2
29 1 2 1 1 18 LYS H . 18 . HN 1 2
30 1 1 1 1 14 ILE H . 14 . HN 1 2
30 1 2 1 1 15 THR HA . 15 . HA 1 2
31 1 1 1 1 11 ALA H . 11 . HN 1 2
31 1 2 1 1 12 CYS H . 12 . HN 1 2
32 1 1 1 1 12 CYS HA . 12 . HA 1 2
32 1 2 1 1 16 VAL H . 16 . HN 1 2
33 1 1 1 1 9 CYS H . 9 . HN 1 2
33 1 2 1 1 12 CYS HA . 12 . HA 1 2
34 1 1 1 1 11 ALA H . 11 . HN 1 2
34 1 2 1 1 12 CYS HA . 12 . HA 1 2
35 1 1 1 1 8 THR H . 8 . HN 1 2
35 1 2 1 1 12 CYS HA . 12 . HA 1 2
36 1 1 1 1 15 THR HA . 15 . HA 1 2
36 1 2 1 1 17 LYS H . 17 . HN 1 2
37 1 1 1 1 3 ALA H . 3 . HN 1 2
37 1 2 1 1 4 VAL H . 4 . HN 1 2
38 1 1 1 1 5 PRO HB3 . 5 . HB1 1 2
38 1 2 1 1 6 GLY H . 6 . HN 1 2
39 1 1 1 1 4 VAL H . 4 . HN 1 2
39 1 2 1 1 7 MET HA . 7 . HA 1 2
40 1 1 1 1 5 PRO HB2 . 5 . HB2 1 2
40 1 2 1 1 6 GLY H . 6 . HN 1 2
41 1 1 1 1 12 CYS H . 12 . HN 1 2
41 1 2 1 1 15 THR HB . 15 . HB 1 2
42 1 1 1 1 15 THR HB . 15 . HB 1 2
42 1 2 1 1 16 VAL H . 16 . HN 1 2
43 1 1 1 1 16 VAL H . 16 . HN 1 2
43 1 2 1 1 16 VAL HB . 16 . HB 1 2
44 1 1 1 1 15 THR H . 15 . HN 1 2
44 1 2 1 1 17 LYS HA . 17 . HA 1 2
45 1 1 1 1 17 LYS HA . 17 . HA 1 2
45 1 2 1 1 18 LYS HA . 18 . HA 1 2
46 1 1 1 1 14 ILE H . 14 . HN 1 2
46 1 2 1 1 17 LYS HA . 17 . HA 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 . . . . . 3.78 1.9 5.0 1 2
2 1 . . . . . 4.1 1.9 5.0 1 2
3 1 . . . . . 4.1 1.9 5.0 1 2
4 1 . . . . . 3.62 1.9 5.0 1 2
5 1 . . . . . 4.18 1.9 5.0 1 2
6 1 . . . . . 4.01 1.9 5.0 1 2
7 1 . . . . . 3.19 1.9 5.0 1 2
8 1 . . . . . 3.39 1.9 5.0 1 2
9 1 . . . . . 4.03 1.9 5.0 1 2
10 1 . . . . . 4.6 1.9 5.0 1 2
11 1 . . . . . 4.2 1.9 6.0 1 2
12 1 . . . . . 4.12 1.9 6.0 1 2
13 1 . . . . . 3.65 1.9 6.0 1 2
14 1 . . . . . 3.65 1.9 5.0 1 2
15 1 . . . . . 3.44 1.9 5.0 1 2
16 1 . . . . . 4.09 1.9 5.0 1 2
17 1 . . . . . 3.44 1.9 5.0 1 2
18 1 . . . . . 3.59 1.9 5.0 1 2
19 1 . . . . . 3.71 1.9 6.0 1 2
20 1 . . . . . 3.93 1.9 5.0 1 2
21 1 . . . . . 4.09 1.9 5.0 1 2
22 1 . . . . . 4.61 1.9 5.0 1 2
23 1 . . . . . 4.19 1.9 5.0 1 2
24 1 . . . . . 4.61 1.9 5.0 1 2
25 1 . . . . . 3.93 1.9 5.0 1 2
26 1 . . . . . 3.36 1.9 5.0 1 2
27 1 . . . . . 3.69 1.9 5.0 1 2
28 1 . . . . . 3.69 1.9 5.0 1 2
29 1 . . . . . 4.51 2.9 6.0 1 2
30 1 . . . . . 3.05 1.9 5.0 1 2
31 1 . . . . . 4.08 1.9 5.0 1 2
32 1 . . . . . 4.18 1.9 5.0 1 2
33 1 . . . . . 4.0 1.9 5.0 1 2
34 1 . . . . . 3.39 1.9 5.0 1 2
35 1 . . . . . 3.78 1.9 5.0 1 2
36 1 . . . . . 4.36 1.9 5.0 1 2
37 1 . . . . . 4.33 1.9 5.0 1 2
38 1 . . . . . 4.18 1.9 5.0 1 2
39 1 . . . . . 4.43 1.9 5.0 1 2
40 1 . . . . . 4.18 1.9 5.0 1 2
41 1 . . . . . 3.9 1.9 5.0 1 2
42 1 . . . . . 4.18 1.9 5.0 1 2
43 1 . . . . . 3.7 1.9 5.0 1 2
44 1 . . . . . 4.1 1.9 5.0 1 2
45 1 . . . . . 3.69 1.9 5.0 1 2
46 1 . . . . . 3.45 1.9 5.0 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 THR C C 8.291 3.795 5.763 1.00 . A A . 1 THR C 1 1
1 2 1 1 1 THR CA C 9.307 3.315 6.801 1.00 . A A . 1 THR CA 1 1
1 3 1 1 1 THR CB C 10.732 3.531 6.291 1.00 . A A . 1 THR CB 1 1
1 4 1 1 1 THR CG2 C 10.906 2.826 4.945 1.00 . A A . 1 THR CG2 1 1
1 5 1 1 1 THR H1 H 8.433 1.647 7.692 1.00 . A A . 1 THR H1 1 1
1 6 1 1 1 THR H2 H 10.088 1.465 7.355 1.00 . A A . 1 THR H2 1 1
1 7 1 1 1 THR H3 H 8.948 1.387 6.098 1.00 . A A . 1 THR H3 1 1
1 8 1 1 1 THR HA H 9.167 3.836 7.735 1.00 . A A . 1 THR HA 1 1
1 9 1 1 1 THR HB H 11.436 3.124 7.000 1.00 . A A . 1 THR HB 1 1
1 10 1 1 1 THR HG1 H 11.758 5.149 6.630 1.00 . A A . 1 THR HG1 1 1
1 11 1 1 1 THR HG21 H 10.599 3.489 4.150 1.00 . A A . 1 THR HG21 1 1
1 12 1 1 1 THR HG22 H 10.299 1.933 4.925 1.00 . A A . 1 THR HG22 1 1
1 13 1 1 1 THR HG23 H 11.944 2.559 4.811 1.00 . A A . 1 THR HG23 1 1
1 14 1 1 1 THR N N 9.185 1.842 7.002 1.00 . A A . 1 THR N 1 1
1 15 1 1 1 THR O O 8.508 3.688 4.573 1.00 . A A . 1 THR O 1 1
1 16 1 1 1 THR OG1 O 10.969 4.923 6.132 1.00 . A A . 1 THR OG1 1 1
1 17 1 1 2 LEU C C 5.849 3.721 4.205 1.00 . A A . 2 LEU C 1 1
1 18 1 1 2 LEU CA C 6.157 4.809 5.237 1.00 . A A . 2 LEU CA 1 1
1 19 1 1 2 LEU CB C 6.794 6.024 4.562 1.00 . A A . 2 LEU CB 1 1
1 20 1 1 2 LEU CD1 C 7.765 8.293 4.949 1.00 . A A . 2 LEU CD1 1 1
1 21 1 1 2 LEU CD2 C 6.019 7.399 6.496 1.00 . A A . 2 LEU CD2 1 1
1 22 1 1 2 LEU CG C 7.225 7.033 5.627 1.00 . A A . 2 LEU CG 1 1
1 23 1 1 2 LEU H H 7.025 4.402 7.167 1.00 . A A . 2 LEU H 1 1
1 24 1 1 2 LEU HA H 5.259 5.104 5.756 1.00 . A A . 2 LEU HA 1 1
1 25 1 1 2 LEU HB2 H 7.658 5.708 3.994 1.00 . A A . 2 LEU HB2 1 1
1 26 1 1 2 LEU HB3 H 6.077 6.486 3.900 1.00 . A A . 2 LEU HB3 1 1
1 27 1 1 2 LEU HD11 H 8.753 8.511 5.329 1.00 . A A . 2 LEU HD11 1 1
1 28 1 1 2 LEU HD12 H 7.108 9.124 5.158 1.00 . A A . 2 LEU HD12 1 1
1 29 1 1 2 LEU HD13 H 7.817 8.134 3.882 1.00 . A A . 2 LEU HD13 1 1
1 30 1 1 2 LEU HD21 H 5.663 6.517 7.008 1.00 . A A . 2 LEU HD21 1 1
1 31 1 1 2 LEU HD22 H 5.232 7.794 5.871 1.00 . A A . 2 LEU HD22 1 1
1 32 1 1 2 LEU HD23 H 6.310 8.143 7.222 1.00 . A A . 2 LEU HD23 1 1
1 33 1 1 2 LEU HG H 7.997 6.597 6.244 1.00 . A A . 2 LEU HG 1 1
1 34 1 1 2 LEU N N 7.183 4.324 6.203 1.00 . A A . 2 LEU N 1 1
1 35 1 1 2 LEU O O 5.796 2.549 4.522 1.00 . A A . 2 LEU O 1 1
1 36 1 1 3 ALA C C 6.455 2.035 1.862 1.00 . A A . 3 ALA C 1 1
1 37 1 1 3 ALA CA C 5.341 3.083 1.925 1.00 . A A . 3 ALA CA 1 1
1 38 1 1 3 ALA CB C 5.273 3.870 0.616 1.00 . A A . 3 ALA CB 1 1
1 39 1 1 3 ALA H H 5.692 5.048 2.737 1.00 . A A . 3 ALA H 1 1
1 40 1 1 3 ALA HA H 4.390 2.612 2.121 1.00 . A A . 3 ALA HA 1 1
1 41 1 1 3 ALA HB1 H 5.065 4.908 0.830 1.00 . A A . 3 ALA HB1 1 1
1 42 1 1 3 ALA HB2 H 4.488 3.467 -0.006 1.00 . A A . 3 ALA HB2 1 1
1 43 1 1 3 ALA HB3 H 6.218 3.792 0.100 1.00 . A A . 3 ALA HB3 1 1
1 44 1 1 3 ALA N N 5.645 4.098 2.973 1.00 . A A . 3 ALA N 1 1
1 45 1 1 3 ALA O O 7.593 2.302 2.195 1.00 . A A . 3 ALA O 1 1
1 46 1 1 4 VAL C C 6.953 -1.056 0.082 1.00 . A A . 4 VAL C 1 1
1 47 1 1 4 VAL CA C 7.171 -0.224 1.349 1.00 . A A . 4 VAL CA 1 1
1 48 1 1 4 VAL CB C 6.961 -1.076 2.602 1.00 . A A . 4 VAL CB 1 1
1 49 1 1 4 VAL CG1 C 7.302 -0.249 3.843 1.00 . A A . 4 VAL CG1 1 1
1 50 1 1 4 VAL CG2 C 5.500 -1.525 2.673 1.00 . A A . 4 VAL CG2 1 1
1 51 1 1 4 VAL H H 5.210 0.652 1.173 1.00 . A A . 4 VAL H 1 1
1 52 1 1 4 VAL HA H 8.160 0.207 1.355 1.00 . A A . 4 VAL HA 1 1
1 53 1 1 4 VAL HB H 7.604 -1.943 2.560 1.00 . A A . 4 VAL HB 1 1
1 54 1 1 4 VAL HG11 H 7.909 -0.839 4.514 1.00 . A A . 4 VAL HG11 1 1
1 55 1 1 4 VAL HG12 H 6.390 0.041 4.344 1.00 . A A . 4 VAL HG12 1 1
1 56 1 1 4 VAL HG13 H 7.847 0.635 3.548 1.00 . A A . 4 VAL HG13 1 1
1 57 1 1 4 VAL HG21 H 5.265 -2.127 1.808 1.00 . A A . 4 VAL HG21 1 1
1 58 1 1 4 VAL HG22 H 4.858 -0.657 2.694 1.00 . A A . 4 VAL HG22 1 1
1 59 1 1 4 VAL HG23 H 5.346 -2.108 3.570 1.00 . A A . 4 VAL HG23 1 1
1 60 1 1 4 VAL N N 6.134 0.845 1.437 1.00 . A A . 4 VAL N 1 1
1 61 1 1 4 VAL O O 5.914 -0.970 -0.542 1.00 . A A . 4 VAL O 1 1
1 62 1 1 5 PRO C C 6.845 -3.825 -1.247 1.00 . A A . 5 PRO C 1 1
1 63 1 1 5 PRO CA C 7.852 -2.693 -1.469 1.00 . A A . 5 PRO CA 1 1
1 64 1 1 5 PRO CB C 9.269 -3.236 -1.631 1.00 . A A . 5 PRO CB 1 1
1 65 1 1 5 PRO CD C 9.225 -2.001 0.437 1.00 . A A . 5 PRO CD 1 1
1 66 1 1 5 PRO CG C 9.865 -3.173 -0.261 1.00 . A A . 5 PRO CG 1 1
1 67 1 1 5 PRO HA H 7.581 -2.105 -2.331 1.00 . A A . 5 PRO HA 1 1
1 68 1 1 5 PRO HB2 H 9.240 -4.258 -1.985 1.00 . A A . 5 PRO HB2 1 1
1 69 1 1 5 PRO HB3 H 9.835 -2.617 -2.309 1.00 . A A . 5 PRO HB3 1 1
1 70 1 1 5 PRO HD2 H 9.071 -2.225 1.482 1.00 . A A . 5 PRO HD2 1 1
1 71 1 1 5 PRO HD3 H 9.828 -1.114 0.320 1.00 . A A . 5 PRO HD3 1 1
1 72 1 1 5 PRO HG2 H 9.653 -4.087 0.275 1.00 . A A . 5 PRO HG2 1 1
1 73 1 1 5 PRO HG3 H 10.930 -3.019 -0.328 1.00 . A A . 5 PRO HG3 1 1
1 74 1 1 5 PRO N N 7.943 -1.837 -0.259 1.00 . A A . 5 PRO N 1 1
1 75 1 1 5 PRO O O 7.201 -4.922 -0.865 1.00 . A A . 5 PRO O 1 1
1 76 1 1 6 GLY C C 3.203 -3.952 -1.015 1.00 . A A . 6 GLY C 1 1
1 77 1 1 6 GLY CA C 4.553 -4.617 -1.287 1.00 . A A . 6 GLY CA 1 1
1 78 1 1 6 GLY H H 5.325 -2.671 -1.790 1.00 . A A . 6 GLY H 1 1
1 79 1 1 6 GLY HA2 H 4.485 -5.227 -2.177 1.00 . A A . 6 GLY HA2 1 1
1 80 1 1 6 GLY HA3 H 4.823 -5.236 -0.444 1.00 . A A . 6 GLY HA3 1 1
1 81 1 1 6 GLY N N 5.588 -3.564 -1.484 1.00 . A A . 6 GLY N 1 1
1 82 1 1 6 GLY O O 2.251 -4.134 -1.748 1.00 . A A . 6 GLY O 1 1
1 83 1 1 7 MET C C 0.714 -3.536 0.499 1.00 . A A . 7 MET C 1 1
1 84 1 1 7 MET CA C 1.829 -2.501 0.359 1.00 . A A . 7 MET CA 1 1
1 85 1 1 7 MET CB C 1.560 -1.575 -0.828 1.00 . A A . 7 MET CB 1 1
1 86 1 1 7 MET CE C 3.326 1.899 -1.980 1.00 . A A . 7 MET CE 1 1
1 87 1 1 7 MET CG C 2.401 -0.305 -0.688 1.00 . A A . 7 MET CG 1 1
1 88 1 1 7 MET H H 3.892 -3.052 0.611 1.00 . A A . 7 MET H 1 1
1 89 1 1 7 MET HA H 1.924 -1.922 1.265 1.00 . A A . 7 MET HA 1 1
1 90 1 1 7 MET HB2 H 1.822 -2.081 -1.746 1.00 . A A . 7 MET HB2 1 1
1 91 1 1 7 MET HB3 H 0.513 -1.310 -0.850 1.00 . A A . 7 MET HB3 1 1
1 92 1 1 7 MET HE1 H 3.932 2.033 -1.095 1.00 . A A . 7 MET HE1 1 1
1 93 1 1 7 MET HE2 H 2.363 2.359 -1.828 1.00 . A A . 7 MET HE2 1 1
1 94 1 1 7 MET HE3 H 3.812 2.358 -2.830 1.00 . A A . 7 MET HE3 1 1
1 95 1 1 7 MET HG2 H 1.777 0.505 -0.339 1.00 . A A . 7 MET HG2 1 1
1 96 1 1 7 MET HG3 H 3.198 -0.477 0.021 1.00 . A A . 7 MET HG3 1 1
1 97 1 1 7 MET N N 3.114 -3.181 0.035 1.00 . A A . 7 MET N 1 1
1 98 1 1 7 MET O O 0.968 -4.712 0.671 1.00 . A A . 7 MET O 1 1
1 99 1 1 7 MET SD S 3.109 0.130 -2.297 1.00 . A A . 7 MET SD 1 1
1 100 1 1 8 THR C C -1.495 -4.898 1.835 1.00 . A A . 8 THR C 1 1
1 101 1 1 8 THR CA C -1.635 -4.089 0.544 1.00 . A A . 8 THR CA 1 1
1 102 1 1 8 THR CB C -1.478 -4.996 -0.676 1.00 . A A . 8 THR CB 1 1
1 103 1 1 8 THR CG2 C -2.387 -6.218 -0.531 1.00 . A A . 8 THR CG2 1 1
1 104 1 1 8 THR H H -0.706 -2.166 0.279 1.00 . A A . 8 THR H 1 1
1 105 1 1 8 THR HA H -2.586 -3.583 0.510 1.00 . A A . 8 THR HA 1 1
1 106 1 1 8 THR HB H -0.450 -5.321 -0.748 1.00 . A A . 8 THR HB 1 1
1 107 1 1 8 THR HG1 H -2.404 -3.551 -1.594 1.00 . A A . 8 THR HG1 1 1
1 108 1 1 8 THR HG21 H -1.816 -7.046 -0.136 1.00 . A A . 8 THR HG21 1 1
1 109 1 1 8 THR HG22 H -2.788 -6.485 -1.497 1.00 . A A . 8 THR HG22 1 1
1 110 1 1 8 THR HG23 H -3.198 -5.985 0.144 1.00 . A A . 8 THR HG23 1 1
1 111 1 1 8 THR N N -0.517 -3.116 0.422 1.00 . A A . 8 THR N 1 1
1 112 1 1 8 THR O O -1.208 -6.079 1.809 1.00 . A A . 8 THR O 1 1
1 113 1 1 8 THR OG1 O -1.831 -4.277 -1.851 1.00 . A A . 8 THR OG1 1 1
1 114 1 1 9 CYS C C -2.543 -4.502 5.291 1.00 . A A . 9 CYS C 1 1
1 115 1 1 9 CYS CA C -1.564 -5.029 4.249 1.00 . A A . 9 CYS CA 1 1
1 116 1 1 9 CYS CB C -0.119 -4.813 4.698 1.00 . A A . 9 CYS CB 1 1
1 117 1 1 9 CYS H H -1.923 -3.326 2.975 1.00 . A A . 9 CYS H 1 1
1 118 1 1 9 CYS HA H -1.736 -6.063 4.089 1.00 . A A . 9 CYS HA 1 1
1 119 1 1 9 CYS HB2 H 0.017 -5.263 5.663 1.00 . A A . 9 CYS HB2 1 1
1 120 1 1 9 CYS HB3 H 0.552 -5.273 3.988 1.00 . A A . 9 CYS HB3 1 1
1 121 1 1 9 CYS N N -1.693 -4.279 2.968 1.00 . A A . 9 CYS N 1 1
1 122 1 1 9 CYS O O -2.144 -4.025 6.331 1.00 . A A . 9 CYS O 1 1
1 123 1 1 9 CYS SG S 0.252 -3.049 4.823 1.00 . A A . 9 CYS SG 1 1
1 124 1 1 10 ALA C C -4.289 -2.672 6.452 1.00 . A A . 10 ALA C 1 1
1 125 1 1 10 ALA CA C -4.804 -4.036 6.016 1.00 . A A . 10 ALA CA 1 1
1 126 1 1 10 ALA CB C -4.791 -5.026 7.181 1.00 . A A . 10 ALA CB 1 1
1 127 1 1 10 ALA H H -4.139 -4.951 4.176 1.00 . A A . 10 ALA H 1 1
1 128 1 1 10 ALA HA H -5.791 -3.959 5.586 1.00 . A A . 10 ALA HA 1 1
1 129 1 1 10 ALA HB1 H -5.502 -4.710 7.930 1.00 . A A . 10 ALA HB1 1 1
1 130 1 1 10 ALA HB2 H -3.802 -5.059 7.615 1.00 . A A . 10 ALA HB2 1 1
1 131 1 1 10 ALA HB3 H -5.060 -6.009 6.823 1.00 . A A . 10 ALA HB3 1 1
1 132 1 1 10 ALA N N -3.827 -4.571 5.024 1.00 . A A . 10 ALA N 1 1
1 133 1 1 10 ALA O O -4.490 -2.224 7.564 1.00 . A A . 10 ALA O 1 1
1 134 1 1 11 ALA C C -3.049 0.161 4.613 1.00 . A A . 11 ALA C 1 1
1 135 1 1 11 ALA CA C -2.966 -0.728 5.853 1.00 . A A . 11 ALA CA 1 1
1 136 1 1 11 ALA CB C -1.513 -1.078 6.160 1.00 . A A . 11 ALA CB 1 1
1 137 1 1 11 ALA H H -3.421 -2.453 4.693 1.00 . A A . 11 ALA H 1 1
1 138 1 1 11 ALA HA H -3.431 -0.260 6.705 1.00 . A A . 11 ALA HA 1 1
1 139 1 1 11 ALA HB1 H -0.908 -0.892 5.285 1.00 . A A . 11 ALA HB1 1 1
1 140 1 1 11 ALA HB2 H -1.444 -2.124 6.422 1.00 . A A . 11 ALA HB2 1 1
1 141 1 1 11 ALA HB3 H -1.159 -0.480 6.979 1.00 . A A . 11 ALA HB3 1 1
1 142 1 1 11 ALA N N -3.577 -2.041 5.563 1.00 . A A . 11 ALA N 1 1
1 143 1 1 11 ALA O O -3.576 1.255 4.657 1.00 . A A . 11 ALA O 1 1
1 144 1 1 12 CYS C C -2.962 -0.247 1.013 1.00 . A A . 12 CYS C 1 1
1 145 1 1 12 CYS CA C -2.591 0.547 2.267 1.00 . A A . 12 CYS CA 1 1
1 146 1 1 12 CYS CB C -1.196 1.170 2.132 1.00 . A A . 12 CYS CB 1 1
1 147 1 1 12 CYS H H -2.102 -1.188 3.481 1.00 . A A . 12 CYS H 1 1
1 148 1 1 12 CYS HA H -3.325 1.333 2.392 1.00 . A A . 12 CYS HA 1 1
1 149 1 1 12 CYS HB2 H -1.255 2.047 1.506 1.00 . A A . 12 CYS HB2 1 1
1 150 1 1 12 CYS HB3 H -0.836 1.452 3.110 1.00 . A A . 12 CYS HB3 1 1
1 151 1 1 12 CYS N N -2.529 -0.298 3.500 1.00 . A A . 12 CYS N 1 1
1 152 1 1 12 CYS O O -2.572 0.127 -0.075 1.00 . A A . 12 CYS O 1 1
1 153 1 1 12 CYS SG S -0.050 -0.022 1.390 1.00 . A A . 12 CYS SG 1 1
1 154 1 1 13 PRO C C -5.140 -1.021 -0.780 1.00 . A A . 13 PRO C 1 1
1 155 1 1 13 PRO CA C -4.239 -1.991 -0.020 1.00 . A A . 13 PRO CA 1 1
1 156 1 1 13 PRO CB C -5.022 -3.170 0.556 1.00 . A A . 13 PRO CB 1 1
1 157 1 1 13 PRO CD C -4.324 -1.818 2.405 1.00 . A A . 13 PRO CD 1 1
1 158 1 1 13 PRO CG C -5.434 -2.710 1.915 1.00 . A A . 13 PRO CG 1 1
1 159 1 1 13 PRO HA H -3.413 -2.327 -0.627 1.00 . A A . 13 PRO HA 1 1
1 160 1 1 13 PRO HB2 H -5.890 -3.379 -0.056 1.00 . A A . 13 PRO HB2 1 1
1 161 1 1 13 PRO HB3 H -4.393 -4.042 0.634 1.00 . A A . 13 PRO HB3 1 1
1 162 1 1 13 PRO HD2 H -4.714 -1.036 3.042 1.00 . A A . 13 PRO HD2 1 1
1 163 1 1 13 PRO HD3 H -3.574 -2.395 2.917 1.00 . A A . 13 PRO HD3 1 1
1 164 1 1 13 PRO HG2 H -6.362 -2.157 1.855 1.00 . A A . 13 PRO HG2 1 1
1 165 1 1 13 PRO HG3 H -5.544 -3.554 2.578 1.00 . A A . 13 PRO HG3 1 1
1 166 1 1 13 PRO N N -3.771 -1.262 1.168 1.00 . A A . 13 PRO N 1 1
1 167 1 1 13 PRO O O -5.475 -1.215 -1.931 1.00 . A A . 13 PRO O 1 1
1 168 1 1 14 ILE C C -5.500 2.123 -1.425 1.00 . A A . 14 ILE C 1 1
1 169 1 1 14 ILE CA C -6.369 1.082 -0.734 1.00 . A A . 14 ILE CA 1 1
1 170 1 1 14 ILE CB C -7.165 1.699 0.417 1.00 . A A . 14 ILE CB 1 1
1 171 1 1 14 ILE CD1 C -9.430 2.640 -0.054 1.00 . A A . 14 ILE CD1 1 1
1 172 1 1 14 ILE CG1 C -7.927 2.924 -0.092 1.00 . A A . 14 ILE CG1 1 1
1 173 1 1 14 ILE CG2 C -6.212 2.119 1.540 1.00 . A A . 14 ILE CG2 1 1
1 174 1 1 14 ILE H H -5.216 0.173 0.803 1.00 . A A . 14 ILE H 1 1
1 175 1 1 14 ILE HA H -7.015 0.632 -1.428 1.00 . A A . 14 ILE HA 1 1
1 176 1 1 14 ILE HB H -7.867 0.971 0.797 1.00 . A A . 14 ILE HB 1 1
1 177 1 1 14 ILE HD11 H -9.917 3.169 -0.860 1.00 . A A . 14 ILE HD11 1 1
1 178 1 1 14 ILE HD12 H -9.834 2.971 0.891 1.00 . A A . 14 ILE HD12 1 1
1 179 1 1 14 ILE HD13 H -9.598 1.579 -0.166 1.00 . A A . 14 ILE HD13 1 1
1 180 1 1 14 ILE HG12 H -7.703 3.775 0.536 1.00 . A A . 14 ILE HG12 1 1
1 181 1 1 14 ILE HG13 H -7.629 3.138 -1.108 1.00 . A A . 14 ILE HG13 1 1
1 182 1 1 14 ILE HG21 H -6.677 2.887 2.140 1.00 . A A . 14 ILE HG21 1 1
1 183 1 1 14 ILE HG22 H -5.297 2.500 1.112 1.00 . A A . 14 ILE HG22 1 1
1 184 1 1 14 ILE HG23 H -5.989 1.263 2.161 1.00 . A A . 14 ILE HG23 1 1
1 185 1 1 14 ILE N N -5.513 0.050 -0.112 1.00 . A A . 14 ILE N 1 1
1 186 1 1 14 ILE O O -5.928 2.824 -2.320 1.00 . A A . 14 ILE O 1 1
1 187 1 1 15 THR C C -2.914 2.563 -3.002 1.00 . A A . 15 THR C 1 1
1 188 1 1 15 THR CA C -3.332 3.153 -1.660 1.00 . A A . 15 THR CA 1 1
1 189 1 1 15 THR CB C -2.176 3.198 -0.666 1.00 . A A . 15 THR CB 1 1
1 190 1 1 15 THR CG2 C -0.835 3.355 -1.391 1.00 . A A . 15 THR CG2 1 1
1 191 1 1 15 THR H H -3.954 1.598 -0.322 1.00 . A A . 15 THR H 1 1
1 192 1 1 15 THR HA H -3.780 4.126 -1.779 1.00 . A A . 15 THR HA 1 1
1 193 1 1 15 THR HB H -2.179 2.273 -0.107 1.00 . A A . 15 THR HB 1 1
1 194 1 1 15 THR HG1 H -2.652 3.936 1.069 1.00 . A A . 15 THR HG1 1 1
1 195 1 1 15 THR HG21 H -0.110 3.792 -0.720 1.00 . A A . 15 THR HG21 1 1
1 196 1 1 15 THR HG22 H -0.963 3.997 -2.250 1.00 . A A . 15 THR HG22 1 1
1 197 1 1 15 THR HG23 H -0.485 2.386 -1.716 1.00 . A A . 15 THR HG23 1 1
1 198 1 1 15 THR N N -4.272 2.198 -1.028 1.00 . A A . 15 THR N 1 1
1 199 1 1 15 THR O O -3.278 3.050 -4.054 1.00 . A A . 15 THR O 1 1
1 200 1 1 15 THR OG1 O -2.364 4.289 0.225 1.00 . A A . 15 THR OG1 1 1
1 201 1 1 16 VAL C C -2.865 -0.235 -4.558 1.00 . A A . 16 VAL C 1 1
1 202 1 1 16 VAL CA C -1.793 0.802 -4.218 1.00 . A A . 16 VAL CA 1 1
1 203 1 1 16 VAL CB C -0.459 0.126 -3.903 1.00 . A A . 16 VAL CB 1 1
1 204 1 1 16 VAL CG1 C -0.691 -1.035 -2.934 1.00 . A A . 16 VAL CG1 1 1
1 205 1 1 16 VAL CG2 C 0.161 -0.407 -5.196 1.00 . A A . 16 VAL CG2 1 1
1 206 1 1 16 VAL H H -1.949 1.088 -2.097 1.00 . A A . 16 VAL H 1 1
1 207 1 1 16 VAL HA H -1.677 1.515 -5.020 1.00 . A A . 16 VAL HA 1 1
1 208 1 1 16 VAL HB H 0.209 0.844 -3.450 1.00 . A A . 16 VAL HB 1 1
1 209 1 1 16 VAL HG11 H -0.998 -0.647 -1.974 1.00 . A A . 16 VAL HG11 1 1
1 210 1 1 16 VAL HG12 H 0.224 -1.597 -2.820 1.00 . A A . 16 VAL HG12 1 1
1 211 1 1 16 VAL HG13 H -1.464 -1.682 -3.325 1.00 . A A . 16 VAL HG13 1 1
1 212 1 1 16 VAL HG21 H -0.623 -0.658 -5.895 1.00 . A A . 16 VAL HG21 1 1
1 213 1 1 16 VAL HG22 H 0.745 -1.289 -4.979 1.00 . A A . 16 VAL HG22 1 1
1 214 1 1 16 VAL HG23 H 0.799 0.350 -5.628 1.00 . A A . 16 VAL HG23 1 1
1 215 1 1 16 VAL N N -2.193 1.480 -2.961 1.00 . A A . 16 VAL N 1 1
1 216 1 1 16 VAL O O -2.583 -1.289 -5.093 1.00 . A A . 16 VAL O 1 1
1 217 1 1 17 LYS C C -5.256 -1.256 -5.983 1.00 . A A . 17 LYS C 1 1
1 218 1 1 17 LYS CA C -5.203 -0.903 -4.501 1.00 . A A . 17 LYS CA 1 1
1 219 1 1 17 LYS CB C -6.482 -0.181 -4.067 1.00 . A A . 17 LYS CB 1 1
1 220 1 1 17 LYS CD C -8.075 0.371 -5.913 1.00 . A A . 17 LYS CD 1 1
1 221 1 1 17 LYS CE C -9.334 0.468 -5.047 1.00 . A A . 17 LYS CE 1 1
1 222 1 1 17 LYS CG C -6.866 0.865 -5.116 1.00 . A A . 17 LYS CG 1 1
1 223 1 1 17 LYS H H -4.298 0.907 -3.785 1.00 . A A . 17 LYS H 1 1
1 224 1 1 17 LYS HA H -5.064 -1.780 -3.916 1.00 . A A . 17 LYS HA 1 1
1 225 1 1 17 LYS HB2 H -7.283 -0.899 -3.963 1.00 . A A . 17 LYS HB2 1 1
1 226 1 1 17 LYS HB3 H -6.313 0.308 -3.120 1.00 . A A . 17 LYS HB3 1 1
1 227 1 1 17 LYS HD2 H -8.197 0.980 -6.797 1.00 . A A . 17 LYS HD2 1 1
1 228 1 1 17 LYS HD3 H -7.919 -0.658 -6.203 1.00 . A A . 17 LYS HD3 1 1
1 229 1 1 17 LYS HE2 H -9.624 -0.513 -4.697 1.00 . A A . 17 LYS HE2 1 1
1 230 1 1 17 LYS HE3 H -9.167 1.133 -4.214 1.00 . A A . 17 LYS HE3 1 1
1 231 1 1 17 LYS HG2 H -7.114 1.794 -4.624 1.00 . A A . 17 LYS HG2 1 1
1 232 1 1 17 LYS HG3 H -6.035 1.024 -5.788 1.00 . A A . 17 LYS HG3 1 1
1 233 1 1 17 LYS HZ1 H -9.998 1.861 -6.445 1.00 . A A . 17 LYS HZ1 1 1
1 234 1 1 17 LYS HZ2 H -11.207 1.312 -5.385 1.00 . A A . 17 LYS HZ2 1 1
1 235 1 1 17 LYS HZ3 H -10.659 0.313 -6.645 1.00 . A A . 17 LYS HZ3 1 1
1 236 1 1 17 LYS N N -4.100 0.058 -4.227 1.00 . A A . 17 LYS N 1 1
1 237 1 1 17 LYS NZ N -10.378 1.031 -5.948 1.00 . A A . 17 LYS NZ 1 1
1 238 1 1 17 LYS O O -5.886 -2.210 -6.393 1.00 . A A . 17 LYS O 1 1
1 239 1 1 18 LYS C C -4.432 -2.243 -8.519 1.00 . A A . 18 LYS C 1 1
1 240 1 1 18 LYS CA C -4.578 -0.743 -8.247 1.00 . A A . 18 LYS CA 1 1
1 241 1 1 18 LYS CB C -3.359 0.020 -8.769 1.00 . A A . 18 LYS CB 1 1
1 242 1 1 18 LYS CD C -4.306 1.279 -10.711 1.00 . A A . 18 LYS CD 1 1
1 243 1 1 18 LYS CE C -4.411 1.325 -12.237 1.00 . A A . 18 LYS CE 1 1
1 244 1 1 18 LYS CG C -3.419 0.104 -10.295 1.00 . A A . 18 LYS CG 1 1
1 245 1 1 18 LYS H H -4.103 0.267 -6.405 1.00 . A A . 18 LYS H 1 1
1 246 1 1 18 LYS HA H -5.476 -0.362 -8.705 1.00 . A A . 18 LYS HA 1 1
1 247 1 1 18 LYS HB2 H -3.355 1.018 -8.353 1.00 . A A . 18 LYS HB2 1 1
1 248 1 1 18 LYS HB3 H -2.458 -0.496 -8.474 1.00 . A A . 18 LYS HB3 1 1
1 249 1 1 18 LYS HD2 H -5.292 1.155 -10.285 1.00 . A A . 18 LYS HD2 1 1
1 250 1 1 18 LYS HD3 H -3.873 2.202 -10.354 1.00 . A A . 18 LYS HD3 1 1
1 251 1 1 18 LYS HE2 H -4.387 2.350 -12.583 1.00 . A A . 18 LYS HE2 1 1
1 252 1 1 18 LYS HE3 H -3.613 0.756 -12.686 1.00 . A A . 18 LYS HE3 1 1
1 253 1 1 18 LYS HG2 H -2.423 0.250 -10.687 1.00 . A A . 18 LYS HG2 1 1
1 254 1 1 18 LYS HG3 H -3.831 -0.812 -10.691 1.00 . A A . 18 LYS HG3 1 1
1 255 1 1 18 LYS HZ1 H -5.976 0.894 -13.540 1.00 . A A . 18 LYS HZ1 1 1
1 256 1 1 18 LYS HZ2 H -6.455 1.092 -11.922 1.00 . A A . 18 LYS HZ2 1 1
1 257 1 1 18 LYS HZ3 H -5.662 -0.329 -12.408 1.00 . A A . 18 LYS HZ3 1 1
1 258 1 1 18 LYS N N -4.593 -0.486 -6.778 1.00 . A A . 18 LYS N 1 1
1 259 1 1 18 LYS NZ N -5.725 0.698 -12.551 1.00 . A A . 18 LYS NZ 1 1
1 260 1 1 18 LYS O O -5.299 -2.792 -9.179 1.00 . A A . 18 LYS O 1 1
1 261 1 1 18 LYS OXT O -3.457 -2.816 -8.062 1.00 . A A . 18 LYS OXT 1 1
1 262 2 2 1 HG HG HG 0.074 -1.827 2.854 1.00 . B A . 20 HG HG 1 1
2 263 1 1 1 THR C C 9.186 6.066 7.457 1.00 . A A . 1 THR C 1 1
2 264 1 1 1 THR CA C 10.083 7.272 7.172 1.00 . A A . 1 THR CA 1 1
2 265 1 1 1 THR CB C 10.889 7.053 5.890 1.00 . A A . 1 THR CB 1 1
2 266 1 1 1 THR CG2 C 11.076 8.388 5.168 1.00 . A A . 1 THR CG2 1 1
2 267 1 1 1 THR H1 H 11.829 8.101 7.954 1.00 . A A . 1 THR H1 1 1
2 268 1 1 1 THR H2 H 11.548 6.496 8.435 1.00 . A A . 1 THR H2 1 1
2 269 1 1 1 THR H3 H 10.643 7.761 9.118 1.00 . A A . 1 THR H3 1 1
2 270 1 1 1 THR HA H 9.493 8.170 7.088 1.00 . A A . 1 THR HA 1 1
2 271 1 1 1 THR HB H 10.358 6.371 5.244 1.00 . A A . 1 THR HB 1 1
2 272 1 1 1 THR HG1 H 12.807 6.876 5.615 1.00 . A A . 1 THR HG1 1 1
2 273 1 1 1 THR HG21 H 11.508 9.108 5.848 1.00 . A A . 1 THR HG21 1 1
2 274 1 1 1 THR HG22 H 10.119 8.748 4.822 1.00 . A A . 1 THR HG22 1 1
2 275 1 1 1 THR HG23 H 11.735 8.251 4.323 1.00 . A A . 1 THR HG23 1 1
2 276 1 1 1 THR N N 11.103 7.419 8.251 1.00 . A A . 1 THR N 1 1
2 277 1 1 1 THR O O 9.634 5.047 7.943 1.00 . A A . 1 THR O 1 1
2 278 1 1 1 THR OG1 O 12.159 6.505 6.218 1.00 . A A . 1 THR OG1 1 1
2 279 1 1 2 LEU C C 6.356 4.565 6.101 1.00 . A A . 2 LEU C 1 1
2 280 1 1 2 LEU CA C 6.995 5.031 7.412 1.00 . A A . 2 LEU CA 1 1
2 281 1 1 2 LEU CB C 5.932 5.588 8.360 1.00 . A A . 2 LEU CB 1 1
2 282 1 1 2 LEU CD1 C 7.422 5.632 10.364 1.00 . A A . 2 LEU CD1 1 1
2 283 1 1 2 LEU CD2 C 4.954 5.375 10.648 1.00 . A A . 2 LEU CD2 1 1
2 284 1 1 2 LEU CG C 6.153 5.024 9.764 1.00 . A A . 2 LEU CG 1 1
2 285 1 1 2 LEU H H 7.578 7.003 6.766 1.00 . A A . 2 LEU H 1 1
2 286 1 1 2 LEU HA H 7.522 4.218 7.886 1.00 . A A . 2 LEU HA 1 1
2 287 1 1 2 LEU HB2 H 6.003 6.665 8.388 1.00 . A A . 2 LEU HB2 1 1
2 288 1 1 2 LEU HB3 H 4.951 5.301 8.010 1.00 . A A . 2 LEU HB3 1 1
2 289 1 1 2 LEU HD11 H 8.054 6.001 9.570 1.00 . A A . 2 LEU HD11 1 1
2 290 1 1 2 LEU HD12 H 7.953 4.876 10.925 1.00 . A A . 2 LEU HD12 1 1
2 291 1 1 2 LEU HD13 H 7.156 6.447 11.021 1.00 . A A . 2 LEU HD13 1 1
2 292 1 1 2 LEU HD21 H 4.834 4.619 11.409 1.00 . A A . 2 LEU HD21 1 1
2 293 1 1 2 LEU HD22 H 4.061 5.420 10.042 1.00 . A A . 2 LEU HD22 1 1
2 294 1 1 2 LEU HD23 H 5.120 6.334 11.116 1.00 . A A . 2 LEU HD23 1 1
2 295 1 1 2 LEU HG H 6.260 3.951 9.709 1.00 . A A . 2 LEU HG 1 1
2 296 1 1 2 LEU N N 7.920 6.173 7.158 1.00 . A A . 2 LEU N 1 1
2 297 1 1 2 LEU O O 5.195 4.209 6.057 1.00 . A A . 2 LEU O 1 1
2 298 1 1 3 ALA C C 7.195 2.809 3.290 1.00 . A A . 3 ALA C 1 1
2 299 1 1 3 ALA CA C 6.542 4.123 3.725 1.00 . A A . 3 ALA CA 1 1
2 300 1 1 3 ALA CB C 6.890 5.246 2.749 1.00 . A A . 3 ALA CB 1 1
2 301 1 1 3 ALA H H 8.039 4.856 5.090 1.00 . A A . 3 ALA H 1 1
2 302 1 1 3 ALA HA H 5.471 4.010 3.792 1.00 . A A . 3 ALA HA 1 1
2 303 1 1 3 ALA HB1 H 6.267 5.167 1.870 1.00 . A A . 3 ALA HB1 1 1
2 304 1 1 3 ALA HB2 H 7.929 5.165 2.463 1.00 . A A . 3 ALA HB2 1 1
2 305 1 1 3 ALA HB3 H 6.721 6.201 3.224 1.00 . A A . 3 ALA HB3 1 1
2 306 1 1 3 ALA N N 7.105 4.565 5.033 1.00 . A A . 3 ALA N 1 1
2 307 1 1 3 ALA O O 8.387 2.745 3.063 1.00 . A A . 3 ALA O 1 1
2 308 1 1 4 VAL C C 6.861 0.280 1.238 1.00 . A A . 4 VAL C 1 1
2 309 1 1 4 VAL CA C 7.011 0.456 2.752 1.00 . A A . 4 VAL CA 1 1
2 310 1 1 4 VAL CB C 6.202 -0.601 3.505 1.00 . A A . 4 VAL CB 1 1
2 311 1 1 4 VAL CG1 C 6.679 -1.996 3.099 1.00 . A A . 4 VAL CG1 1 1
2 312 1 1 4 VAL CG2 C 6.401 -0.415 5.012 1.00 . A A . 4 VAL CG2 1 1
2 313 1 1 4 VAL H H 5.466 1.831 3.359 1.00 . A A . 4 VAL H 1 1
2 314 1 1 4 VAL HA H 8.049 0.399 3.039 1.00 . A A . 4 VAL HA 1 1
2 315 1 1 4 VAL HB H 5.155 -0.493 3.262 1.00 . A A . 4 VAL HB 1 1
2 316 1 1 4 VAL HG11 H 6.460 -2.697 3.892 1.00 . A A . 4 VAL HG11 1 1
2 317 1 1 4 VAL HG12 H 7.744 -1.975 2.922 1.00 . A A . 4 VAL HG12 1 1
2 318 1 1 4 VAL HG13 H 6.171 -2.303 2.197 1.00 . A A . 4 VAL HG13 1 1
2 319 1 1 4 VAL HG21 H 5.499 -0.010 5.447 1.00 . A A . 4 VAL HG21 1 1
2 320 1 1 4 VAL HG22 H 7.221 0.266 5.185 1.00 . A A . 4 VAL HG22 1 1
2 321 1 1 4 VAL HG23 H 6.623 -1.369 5.467 1.00 . A A . 4 VAL HG23 1 1
2 322 1 1 4 VAL N N 6.427 1.761 3.173 1.00 . A A . 4 VAL N 1 1
2 323 1 1 4 VAL O O 5.802 0.511 0.689 1.00 . A A . 4 VAL O 1 1
2 324 1 1 5 PRO C C 7.098 -1.557 -1.227 1.00 . A A . 5 PRO C 1 1
2 325 1 1 5 PRO CA C 7.929 -0.326 -0.858 1.00 . A A . 5 PRO CA 1 1
2 326 1 1 5 PRO CB C 9.403 -0.537 -1.196 1.00 . A A . 5 PRO CB 1 1
2 327 1 1 5 PRO CD C 9.243 -0.420 1.205 1.00 . A A . 5 PRO CD 1 1
2 328 1 1 5 PRO CG C 10.020 -1.036 0.070 1.00 . A A . 5 PRO CG 1 1
2 329 1 1 5 PRO HA H 7.556 0.551 -1.364 1.00 . A A . 5 PRO HA 1 1
2 330 1 1 5 PRO HB2 H 9.505 -1.272 -1.983 1.00 . A A . 5 PRO HB2 1 1
2 331 1 1 5 PRO HB3 H 9.860 0.395 -1.488 1.00 . A A . 5 PRO HB3 1 1
2 332 1 1 5 PRO HD2 H 9.142 -1.124 2.019 1.00 . A A . 5 PRO HD2 1 1
2 333 1 1 5 PRO HD3 H 9.716 0.489 1.541 1.00 . A A . 5 PRO HD3 1 1
2 334 1 1 5 PRO HG2 H 9.951 -2.114 0.114 1.00 . A A . 5 PRO HG2 1 1
2 335 1 1 5 PRO HG3 H 11.051 -0.727 0.127 1.00 . A A . 5 PRO HG3 1 1
2 336 1 1 5 PRO N N 7.935 -0.121 0.612 1.00 . A A . 5 PRO N 1 1
2 337 1 1 5 PRO O O 7.376 -2.659 -0.796 1.00 . A A . 5 PRO O 1 1
2 338 1 1 6 GLY C C 3.795 -2.302 -1.949 1.00 . A A . 6 GLY C 1 1
2 339 1 1 6 GLY CA C 5.231 -2.534 -2.419 1.00 . A A . 6 GLY CA 1 1
2 340 1 1 6 GLY H H 5.873 -0.480 -2.358 1.00 . A A . 6 GLY H 1 1
2 341 1 1 6 GLY HA2 H 5.247 -2.639 -3.495 1.00 . A A . 6 GLY HA2 1 1
2 342 1 1 6 GLY HA3 H 5.614 -3.435 -1.963 1.00 . A A . 6 GLY HA3 1 1
2 343 1 1 6 GLY N N 6.080 -1.377 -2.022 1.00 . A A . 6 GLY N 1 1
2 344 1 1 6 GLY O O 2.850 -2.746 -2.570 1.00 . A A . 6 GLY O 1 1
2 345 1 1 7 MET C C 1.450 -2.671 -0.387 1.00 . A A . 7 MET C 1 1
2 346 1 1 7 MET CA C 2.243 -1.366 -0.345 1.00 . A A . 7 MET CA 1 1
2 347 1 1 7 MET CB C 1.645 -0.337 -1.305 1.00 . A A . 7 MET CB 1 1
2 348 1 1 7 MET CE C 2.800 1.917 1.076 1.00 . A A . 7 MET CE 1 1
2 349 1 1 7 MET CG C 2.589 0.861 -1.418 1.00 . A A . 7 MET CG 1 1
2 350 1 1 7 MET H H 4.392 -1.272 -0.362 1.00 . A A . 7 MET H 1 1
2 351 1 1 7 MET HA H 2.273 -0.968 0.659 1.00 . A A . 7 MET HA 1 1
2 352 1 1 7 MET HB2 H 1.514 -0.787 -2.279 1.00 . A A . 7 MET HB2 1 1
2 353 1 1 7 MET HB3 H 0.689 -0.006 -0.930 1.00 . A A . 7 MET HB3 1 1
2 354 1 1 7 MET HE1 H 3.750 2.433 1.066 1.00 . A A . 7 MET HE1 1 1
2 355 1 1 7 MET HE2 H 2.970 0.857 1.175 1.00 . A A . 7 MET HE2 1 1
2 356 1 1 7 MET HE3 H 2.205 2.263 1.910 1.00 . A A . 7 MET HE3 1 1
2 357 1 1 7 MET HG2 H 3.559 0.592 -1.026 1.00 . A A . 7 MET HG2 1 1
2 358 1 1 7 MET HG3 H 2.687 1.147 -2.455 1.00 . A A . 7 MET HG3 1 1
2 359 1 1 7 MET N N 3.621 -1.615 -0.852 1.00 . A A . 7 MET N 1 1
2 360 1 1 7 MET O O 2.019 -3.743 -0.429 1.00 . A A . 7 MET O 1 1
2 361 1 1 7 MET SD S 1.918 2.249 -0.469 1.00 . A A . 7 MET SD 1 1
2 362 1 1 8 THR C C -0.197 -4.798 0.691 1.00 . A A . 8 THR C 1 1
2 363 1 1 8 THR CA C -0.641 -3.864 -0.437 1.00 . A A . 8 THR CA 1 1
2 364 1 1 8 THR CB C -0.303 -4.461 -1.805 1.00 . A A . 8 THR CB 1 1
2 365 1 1 8 THR CG2 C -0.817 -5.900 -1.892 1.00 . A A . 8 THR CG2 1 1
2 366 1 1 8 THR H H -0.309 -1.736 -0.355 1.00 . A A . 8 THR H 1 1
2 367 1 1 8 THR HA H -1.696 -3.658 -0.370 1.00 . A A . 8 THR HA 1 1
2 368 1 1 8 THR HB H 0.770 -4.456 -1.943 1.00 . A A . 8 THR HB 1 1
2 369 1 1 8 THR HG1 H -0.636 -2.766 -2.699 1.00 . A A . 8 THR HG1 1 1
2 370 1 1 8 THR HG21 H -1.023 -6.272 -0.900 1.00 . A A . 8 THR HG21 1 1
2 371 1 1 8 THR HG22 H -0.069 -6.521 -2.361 1.00 . A A . 8 THR HG22 1 1
2 372 1 1 8 THR HG23 H -1.723 -5.922 -2.480 1.00 . A A . 8 THR HG23 1 1
2 373 1 1 8 THR N N 0.147 -2.604 -0.385 1.00 . A A . 8 THR N 1 1
2 374 1 1 8 THR O O 0.603 -5.691 0.492 1.00 . A A . 8 THR O 1 1
2 375 1 1 8 THR OG1 O -0.913 -3.677 -2.821 1.00 . A A . 8 THR OG1 1 1
2 376 1 1 9 CYS C C -1.459 -5.660 3.981 1.00 . A A . 9 CYS C 1 1
2 377 1 1 9 CYS CA C -0.302 -5.472 3.012 1.00 . A A . 9 CYS CA 1 1
2 378 1 1 9 CYS CB C 0.857 -4.739 3.688 1.00 . A A . 9 CYS CB 1 1
2 379 1 1 9 CYS H H -1.345 -3.869 2.017 1.00 . A A . 9 CYS H 1 1
2 380 1 1 9 CYS HA H 0.030 -6.415 2.656 1.00 . A A . 9 CYS HA 1 1
2 381 1 1 9 CYS HB2 H 1.111 -5.251 4.597 1.00 . A A . 9 CYS HB2 1 1
2 382 1 1 9 CYS HB3 H 1.712 -4.728 3.029 1.00 . A A . 9 CYS HB3 1 1
2 383 1 1 9 CYS N N -0.704 -4.597 1.875 1.00 . A A . 9 CYS N 1 1
2 384 1 1 9 CYS O O -1.383 -5.260 5.124 1.00 . A A . 9 CYS O 1 1
2 385 1 1 9 CYS SG S 0.383 -3.042 4.092 1.00 . A A . 9 CYS SG 1 1
2 386 1 1 10 ALA C C -3.915 -5.051 5.135 1.00 . A A . 10 ALA C 1 1
2 387 1 1 10 ALA CA C -3.708 -6.402 4.463 1.00 . A A . 10 ALA CA 1 1
2 388 1 1 10 ALA CB C -3.285 -7.464 5.480 1.00 . A A . 10 ALA CB 1 1
2 389 1 1 10 ALA H H -2.607 -6.551 2.611 1.00 . A A . 10 ALA H 1 1
2 390 1 1 10 ALA HA H -4.591 -6.710 3.926 1.00 . A A . 10 ALA HA 1 1
2 391 1 1 10 ALA HB1 H -2.640 -7.016 6.221 1.00 . A A . 10 ALA HB1 1 1
2 392 1 1 10 ALA HB2 H -2.757 -8.258 4.973 1.00 . A A . 10 ALA HB2 1 1
2 393 1 1 10 ALA HB3 H -4.163 -7.867 5.963 1.00 . A A . 10 ALA HB3 1 1
2 394 1 1 10 ALA N N -2.548 -6.245 3.540 1.00 . A A . 10 ALA N 1 1
2 395 1 1 10 ALA O O -4.363 -4.943 6.259 1.00 . A A . 10 ALA O 1 1
2 396 1 1 11 ALA C C -4.043 -1.686 3.856 1.00 . A A . 11 ALA C 1 1
2 397 1 1 11 ALA CA C -3.615 -2.647 4.967 1.00 . A A . 11 ALA CA 1 1
2 398 1 1 11 ALA CB C -2.184 -2.350 5.403 1.00 . A A . 11 ALA CB 1 1
2 399 1 1 11 ALA H H -3.147 -4.161 3.547 1.00 . A A . 11 ALA H 1 1
2 400 1 1 11 ALA HA H -4.285 -2.596 5.809 1.00 . A A . 11 ALA HA 1 1
2 401 1 1 11 ALA HB1 H -2.191 -1.798 6.325 1.00 . A A . 11 ALA HB1 1 1
2 402 1 1 11 ALA HB2 H -1.690 -1.772 4.636 1.00 . A A . 11 ALA HB2 1 1
2 403 1 1 11 ALA HB3 H -1.653 -3.281 5.543 1.00 . A A . 11 ALA HB3 1 1
2 404 1 1 11 ALA N N -3.529 -4.021 4.433 1.00 . A A . 11 ALA N 1 1
2 405 1 1 11 ALA O O -5.049 -1.013 3.961 1.00 . A A . 11 ALA O 1 1
2 406 1 1 12 CYS C C -3.583 -1.303 0.297 1.00 . A A . 12 CYS C 1 1
2 407 1 1 12 CYS CA C -3.677 -0.676 1.688 1.00 . A A . 12 CYS CA 1 1
2 408 1 1 12 CYS CB C -2.734 0.523 1.817 1.00 . A A . 12 CYS CB 1 1
2 409 1 1 12 CYS H H -2.467 -2.160 2.717 1.00 . A A . 12 CYS H 1 1
2 410 1 1 12 CYS HA H -4.694 -0.346 1.831 1.00 . A A . 12 CYS HA 1 1
2 411 1 1 12 CYS HB2 H -3.151 1.367 1.288 1.00 . A A . 12 CYS HB2 1 1
2 412 1 1 12 CYS HB3 H -2.619 0.777 2.861 1.00 . A A . 12 CYS HB3 1 1
2 413 1 1 12 CYS N N -3.285 -1.610 2.788 1.00 . A A . 12 CYS N 1 1
2 414 1 1 12 CYS O O -3.369 -0.597 -0.668 1.00 . A A . 12 CYS O 1 1
2 415 1 1 12 CYS SG S -1.117 0.114 1.113 1.00 . A A . 12 CYS SG 1 1
2 416 1 1 13 PRO C C -5.100 -2.648 -1.818 1.00 . A A . 13 PRO C 1 1
2 417 1 1 13 PRO CA C -3.857 -3.206 -1.126 1.00 . A A . 13 PRO CA 1 1
2 418 1 1 13 PRO CB C -3.987 -4.698 -0.827 1.00 . A A . 13 PRO CB 1 1
2 419 1 1 13 PRO CD C -4.109 -3.544 1.271 1.00 . A A . 13 PRO CD 1 1
2 420 1 1 13 PRO CG C -4.612 -4.752 0.528 1.00 . A A . 13 PRO CG 1 1
2 421 1 1 13 PRO HA H -2.959 -2.991 -1.683 1.00 . A A . 13 PRO HA 1 1
2 422 1 1 13 PRO HB2 H -4.623 -5.174 -1.560 1.00 . A A . 13 PRO HB2 1 1
2 423 1 1 13 PRO HB3 H -3.016 -5.166 -0.806 1.00 . A A . 13 PRO HB3 1 1
2 424 1 1 13 PRO HD2 H -4.866 -3.166 1.945 1.00 . A A . 13 PRO HD2 1 1
2 425 1 1 13 PRO HD3 H -3.202 -3.776 1.802 1.00 . A A . 13 PRO HD3 1 1
2 426 1 1 13 PRO HG2 H -5.689 -4.717 0.440 1.00 . A A . 13 PRO HG2 1 1
2 427 1 1 13 PRO HG3 H -4.308 -5.650 1.043 1.00 . A A . 13 PRO HG3 1 1
2 428 1 1 13 PRO N N -3.831 -2.580 0.203 1.00 . A A . 13 PRO N 1 1
2 429 1 1 13 PRO O O -5.267 -2.737 -3.017 1.00 . A A . 13 PRO O 1 1
2 430 1 1 14 ILE C C -6.938 0.028 -1.914 1.00 . A A . 14 ILE C 1 1
2 431 1 1 14 ILE CA C -7.202 -1.430 -1.563 1.00 . A A . 14 ILE CA 1 1
2 432 1 1 14 ILE CB C -8.227 -1.553 -0.435 1.00 . A A . 14 ILE CB 1 1
2 433 1 1 14 ILE CD1 C -10.689 -1.810 -0.772 1.00 . A A . 14 ILE CD1 1 1
2 434 1 1 14 ILE CG1 C -9.516 -0.829 -0.832 1.00 . A A . 14 ILE CG1 1 1
2 435 1 1 14 ILE CG2 C -7.660 -0.928 0.841 1.00 . A A . 14 ILE CG2 1 1
2 436 1 1 14 ILE H H -5.785 -1.981 -0.076 1.00 . A A . 14 ILE H 1 1
2 437 1 1 14 ILE HA H -7.523 -1.957 -2.413 1.00 . A A . 14 ILE HA 1 1
2 438 1 1 14 ILE HB H -8.439 -2.598 -0.258 1.00 . A A . 14 ILE HB 1 1
2 439 1 1 14 ILE HD11 H -11.424 -1.539 -1.516 1.00 . A A . 14 ILE HD11 1 1
2 440 1 1 14 ILE HD12 H -11.141 -1.772 0.209 1.00 . A A . 14 ILE HD12 1 1
2 441 1 1 14 ILE HD13 H -10.332 -2.810 -0.965 1.00 . A A . 14 ILE HD13 1 1
2 442 1 1 14 ILE HG12 H -9.693 -0.011 -0.149 1.00 . A A . 14 ILE HG12 1 1
2 443 1 1 14 ILE HG13 H -9.420 -0.447 -1.837 1.00 . A A . 14 ILE HG13 1 1
2 444 1 1 14 ILE HG21 H -8.471 -0.649 1.497 1.00 . A A . 14 ILE HG21 1 1
2 445 1 1 14 ILE HG22 H -7.082 -0.052 0.588 1.00 . A A . 14 ILE HG22 1 1
2 446 1 1 14 ILE HG23 H -7.024 -1.645 1.341 1.00 . A A . 14 ILE HG23 1 1
2 447 1 1 14 ILE N N -5.965 -2.043 -1.029 1.00 . A A . 14 ILE N 1 1
2 448 1 1 14 ILE O O -7.633 0.634 -2.706 1.00 . A A . 14 ILE O 1 1
2 449 1 1 15 THR C C -4.612 1.975 -2.834 1.00 . A A . 15 THR C 1 1
2 450 1 1 15 THR CA C -5.550 1.985 -1.629 1.00 . A A . 15 THR CA 1 1
2 451 1 1 15 THR CB C -4.859 2.431 -0.337 1.00 . A A . 15 THR CB 1 1
2 452 1 1 15 THR CG2 C -3.483 3.050 -0.619 1.00 . A A . 15 THR CG2 1 1
2 453 1 1 15 THR H H -5.368 0.052 -0.722 1.00 . A A . 15 THR H 1 1
2 454 1 1 15 THR HA H -6.427 2.583 -1.821 1.00 . A A . 15 THR HA 1 1
2 455 1 1 15 THR HB H -4.738 1.562 0.295 1.00 . A A . 15 THR HB 1 1
2 456 1 1 15 THR HG1 H -6.244 2.912 0.940 1.00 . A A . 15 THR HG1 1 1
2 457 1 1 15 THR HG21 H -3.169 3.634 0.234 1.00 . A A . 15 THR HG21 1 1
2 458 1 1 15 THR HG22 H -3.546 3.687 -1.488 1.00 . A A . 15 THR HG22 1 1
2 459 1 1 15 THR HG23 H -2.765 2.263 -0.800 1.00 . A A . 15 THR HG23 1 1
2 460 1 1 15 THR N N -5.917 0.579 -1.340 1.00 . A A . 15 THR N 1 1
2 461 1 1 15 THR O O -4.901 2.533 -3.874 1.00 . A A . 15 THR O 1 1
2 462 1 1 15 THR OG1 O -5.678 3.384 0.325 1.00 . A A . 15 THR OG1 1 1
2 463 1 1 16 VAL C C -2.939 -0.080 -4.643 1.00 . A A . 16 VAL C 1 1
2 464 1 1 16 VAL CA C -2.565 1.171 -3.845 1.00 . A A . 16 VAL CA 1 1
2 465 1 1 16 VAL CB C -1.184 1.013 -3.208 1.00 . A A . 16 VAL CB 1 1
2 466 1 1 16 VAL CG1 C -0.117 0.985 -4.303 1.00 . A A . 16 VAL CG1 1 1
2 467 1 1 16 VAL CG2 C -0.917 2.190 -2.267 1.00 . A A . 16 VAL CG2 1 1
2 468 1 1 16 VAL H H -3.325 0.818 -1.869 1.00 . A A . 16 VAL H 1 1
2 469 1 1 16 VAL HA H -2.598 2.051 -4.468 1.00 . A A . 16 VAL HA 1 1
2 470 1 1 16 VAL HB H -1.150 0.088 -2.650 1.00 . A A . 16 VAL HB 1 1
2 471 1 1 16 VAL HG11 H 0.862 1.069 -3.854 1.00 . A A . 16 VAL HG11 1 1
2 472 1 1 16 VAL HG12 H -0.274 1.811 -4.981 1.00 . A A . 16 VAL HG12 1 1
2 473 1 1 16 VAL HG13 H -0.185 0.055 -4.848 1.00 . A A . 16 VAL HG13 1 1
2 474 1 1 16 VAL HG21 H -1.672 2.948 -2.415 1.00 . A A . 16 VAL HG21 1 1
2 475 1 1 16 VAL HG22 H 0.058 2.605 -2.478 1.00 . A A . 16 VAL HG22 1 1
2 476 1 1 16 VAL HG23 H -0.947 1.846 -1.243 1.00 . A A . 16 VAL HG23 1 1
2 477 1 1 16 VAL N N -3.510 1.290 -2.707 1.00 . A A . 16 VAL N 1 1
2 478 1 1 16 VAL O O -2.097 -0.745 -5.215 1.00 . A A . 16 VAL O 1 1
2 479 1 1 17 LYS C C -4.237 -1.578 -6.856 1.00 . A A . 17 LYS C 1 1
2 480 1 1 17 LYS CA C -4.660 -1.630 -5.392 1.00 . A A . 17 LYS CA 1 1
2 481 1 1 17 LYS CB C -6.185 -1.624 -5.270 1.00 . A A . 17 LYS CB 1 1
2 482 1 1 17 LYS CD C -8.249 -0.667 -6.305 1.00 . A A . 17 LYS CD 1 1
2 483 1 1 17 LYS CE C -8.728 0.272 -7.413 1.00 . A A . 17 LYS CE 1 1
2 484 1 1 17 LYS CG C -6.757 -0.441 -6.054 1.00 . A A . 17 LYS CG 1 1
2 485 1 1 17 LYS H H -4.859 0.131 -4.180 1.00 . A A . 17 LYS H 1 1
2 486 1 1 17 LYS HA H -4.259 -2.496 -4.923 1.00 . A A . 17 LYS HA 1 1
2 487 1 1 17 LYS HB2 H -6.581 -2.547 -5.670 1.00 . A A . 17 LYS HB2 1 1
2 488 1 1 17 LYS HB3 H -6.464 -1.533 -4.232 1.00 . A A . 17 LYS HB3 1 1
2 489 1 1 17 LYS HD2 H -8.413 -1.692 -6.605 1.00 . A A . 17 LYS HD2 1 1
2 490 1 1 17 LYS HD3 H -8.802 -0.464 -5.400 1.00 . A A . 17 LYS HD3 1 1
2 491 1 1 17 LYS HE2 H -9.268 1.108 -6.990 1.00 . A A . 17 LYS HE2 1 1
2 492 1 1 17 LYS HE3 H -7.891 0.620 -7.999 1.00 . A A . 17 LYS HE3 1 1
2 493 1 1 17 LYS HG2 H -6.620 0.467 -5.484 1.00 . A A . 17 LYS HG2 1 1
2 494 1 1 17 LYS HG3 H -6.244 -0.354 -7.000 1.00 . A A . 17 LYS HG3 1 1
2 495 1 1 17 LYS HZ1 H -10.258 -1.119 -7.647 1.00 . A A . 17 LYS HZ1 1 1
2 496 1 1 17 LYS HZ2 H -9.059 -1.199 -8.847 1.00 . A A . 17 LYS HZ2 1 1
2 497 1 1 17 LYS HZ3 H -10.202 0.058 -8.867 1.00 . A A . 17 LYS HZ3 1 1
2 498 1 1 17 LYS N N -4.206 -0.413 -4.662 1.00 . A A . 17 LYS N 1 1
2 499 1 1 17 LYS NZ N -9.630 -0.559 -8.257 1.00 . A A . 17 LYS NZ 1 1
2 500 1 1 17 LYS O O -4.267 -2.563 -7.565 1.00 . A A . 17 LYS O 1 1
2 501 1 1 18 LYS C C -1.941 0.139 -8.776 1.00 . A A . 18 LYS C 1 1
2 502 1 1 18 LYS CA C -3.414 -0.277 -8.719 1.00 . A A . 18 LYS CA 1 1
2 503 1 1 18 LYS CB C -4.307 0.827 -9.288 1.00 . A A . 18 LYS CB 1 1
2 504 1 1 18 LYS CD C -5.478 1.567 -11.368 1.00 . A A . 18 LYS CD 1 1
2 505 1 1 18 LYS CE C -5.672 1.204 -12.842 1.00 . A A . 18 LYS CE 1 1
2 506 1 1 18 LYS CG C -4.917 0.361 -10.612 1.00 . A A . 18 LYS CG 1 1
2 507 1 1 18 LYS H H -3.839 0.330 -6.697 1.00 . A A . 18 LYS H 1 1
2 508 1 1 18 LYS HA H -3.568 -1.194 -9.263 1.00 . A A . 18 LYS HA 1 1
2 509 1 1 18 LYS HB2 H -5.098 1.048 -8.586 1.00 . A A . 18 LYS HB2 1 1
2 510 1 1 18 LYS HB3 H -3.718 1.715 -9.459 1.00 . A A . 18 LYS HB3 1 1
2 511 1 1 18 LYS HD2 H -6.428 1.851 -10.939 1.00 . A A . 18 LYS HD2 1 1
2 512 1 1 18 LYS HD3 H -4.787 2.393 -11.291 1.00 . A A . 18 LYS HD3 1 1
2 513 1 1 18 LYS HE2 H -5.126 0.302 -13.081 1.00 . A A . 18 LYS HE2 1 1
2 514 1 1 18 LYS HE3 H -6.721 1.080 -13.064 1.00 . A A . 18 LYS HE3 1 1
2 515 1 1 18 LYS HG2 H -4.156 -0.118 -11.209 1.00 . A A . 18 LYS HG2 1 1
2 516 1 1 18 LYS HG3 H -5.714 -0.340 -10.414 1.00 . A A . 18 LYS HG3 1 1
2 517 1 1 18 LYS HZ1 H -4.991 2.096 -14.596 1.00 . A A . 18 LYS HZ1 1 1
2 518 1 1 18 LYS HZ2 H -4.209 2.643 -13.191 1.00 . A A . 18 LYS HZ2 1 1
2 519 1 1 18 LYS HZ3 H -5.788 3.160 -13.544 1.00 . A A . 18 LYS HZ3 1 1
2 520 1 1 18 LYS N N -3.847 -0.432 -7.301 1.00 . A A . 18 LYS N 1 1
2 521 1 1 18 LYS NZ N -5.123 2.363 -13.600 1.00 . A A . 18 LYS NZ 1 1
2 522 1 1 18 LYS O O -1.107 -0.647 -8.357 1.00 . A A . 18 LYS O 1 1
2 523 1 1 18 LYS OXT O -1.673 1.237 -9.237 1.00 . A A . 18 LYS OXT 1 1
2 524 2 2 1 HG HG HG -0.282 -1.699 2.313 1.00 . B A . 20 HG HG 1 1
3 525 1 1 1 THR C C 9.502 5.228 5.502 1.00 . A A . 1 THR C 1 1
3 526 1 1 1 THR CA C 10.087 6.268 4.543 1.00 . A A . 1 THR CA 1 1
3 527 1 1 1 THR CB C 11.264 5.676 3.765 1.00 . A A . 1 THR CB 1 1
3 528 1 1 1 THR CG2 C 10.739 4.854 2.587 1.00 . A A . 1 THR CG2 1 1
3 529 1 1 1 THR H1 H 11.536 7.734 4.848 1.00 . A A . 1 THR H1 1 1
3 530 1 1 1 THR H2 H 10.879 7.102 6.281 1.00 . A A . 1 THR H2 1 1
3 531 1 1 1 THR H3 H 9.978 8.191 5.338 1.00 . A A . 1 THR H3 1 1
3 532 1 1 1 THR HA H 9.331 6.617 3.858 1.00 . A A . 1 THR HA 1 1
3 533 1 1 1 THR HB H 11.841 5.037 4.414 1.00 . A A . 1 THR HB 1 1
3 534 1 1 1 THR HG1 H 12.964 6.370 3.130 1.00 . A A . 1 THR HG1 1 1
3 535 1 1 1 THR HG21 H 9.787 4.416 2.849 1.00 . A A . 1 THR HG21 1 1
3 536 1 1 1 THR HG22 H 11.444 4.071 2.352 1.00 . A A . 1 THR HG22 1 1
3 537 1 1 1 THR HG23 H 10.615 5.497 1.728 1.00 . A A . 1 THR HG23 1 1
3 538 1 1 1 THR N N 10.664 7.410 5.310 1.00 . A A . 1 THR N 1 1
3 539 1 1 1 THR O O 10.112 4.215 5.781 1.00 . A A . 1 THR O 1 1
3 540 1 1 1 THR OG1 O 12.086 6.728 3.280 1.00 . A A . 1 THR OG1 1 1
3 541 1 1 2 LEU C C 6.496 3.822 6.297 1.00 . A A . 2 LEU C 1 1
3 542 1 1 2 LEU CA C 7.703 4.498 6.953 1.00 . A A . 2 LEU CA 1 1
3 543 1 1 2 LEU CB C 7.261 5.338 8.151 1.00 . A A . 2 LEU CB 1 1
3 544 1 1 2 LEU CD1 C 7.482 5.636 10.621 1.00 . A A . 2 LEU CD1 1 1
3 545 1 1 2 LEU CD2 C 7.199 3.348 9.656 1.00 . A A . 2 LEU CD2 1 1
3 546 1 1 2 LEU CG C 7.821 4.729 9.436 1.00 . A A . 2 LEU CG 1 1
3 547 1 1 2 LEU H H 7.850 6.295 5.773 1.00 . A A . 2 LEU H 1 1
3 548 1 1 2 LEU HA H 8.425 3.761 7.266 1.00 . A A . 2 LEU HA 1 1
3 549 1 1 2 LEU HB2 H 7.631 6.347 8.038 1.00 . A A . 2 LEU HB2 1 1
3 550 1 1 2 LEU HB3 H 6.182 5.354 8.203 1.00 . A A . 2 LEU HB3 1 1
3 551 1 1 2 LEU HD11 H 6.644 5.223 11.163 1.00 . A A . 2 LEU HD11 1 1
3 552 1 1 2 LEU HD12 H 7.227 6.621 10.259 1.00 . A A . 2 LEU HD12 1 1
3 553 1 1 2 LEU HD13 H 8.337 5.704 11.278 1.00 . A A . 2 LEU HD13 1 1
3 554 1 1 2 LEU HD21 H 7.775 2.807 10.393 1.00 . A A . 2 LEU HD21 1 1
3 555 1 1 2 LEU HD22 H 7.200 2.800 8.725 1.00 . A A . 2 LEU HD22 1 1
3 556 1 1 2 LEU HD23 H 6.184 3.461 10.006 1.00 . A A . 2 LEU HD23 1 1
3 557 1 1 2 LEU HG H 8.894 4.634 9.351 1.00 . A A . 2 LEU HG 1 1
3 558 1 1 2 LEU N N 8.325 5.472 6.010 1.00 . A A . 2 LEU N 1 1
3 559 1 1 2 LEU O O 5.363 4.197 6.525 1.00 . A A . 2 LEU O 1 1
3 560 1 1 3 ALA C C 6.061 0.797 4.229 1.00 . A A . 3 ALA C 1 1
3 561 1 1 3 ALA CA C 5.593 2.130 4.816 1.00 . A A . 3 ALA CA 1 1
3 562 1 1 3 ALA CB C 5.146 3.077 3.704 1.00 . A A . 3 ALA CB 1 1
3 563 1 1 3 ALA H H 7.650 2.540 5.314 1.00 . A A . 3 ALA H 1 1
3 564 1 1 3 ALA HA H 4.785 1.971 5.512 1.00 . A A . 3 ALA HA 1 1
3 565 1 1 3 ALA HB1 H 4.090 2.945 3.520 1.00 . A A . 3 ALA HB1 1 1
3 566 1 1 3 ALA HB2 H 5.698 2.859 2.802 1.00 . A A . 3 ALA HB2 1 1
3 567 1 1 3 ALA HB3 H 5.335 4.098 4.003 1.00 . A A . 3 ALA HB3 1 1
3 568 1 1 3 ALA N N 6.729 2.827 5.485 1.00 . A A . 3 ALA N 1 1
3 569 1 1 3 ALA O O 7.160 0.682 3.722 1.00 . A A . 3 ALA O 1 1
3 570 1 1 4 VAL C C 5.969 -1.398 2.246 1.00 . A A . 4 VAL C 1 1
3 571 1 1 4 VAL CA C 5.637 -1.535 3.734 1.00 . A A . 4 VAL CA 1 1
3 572 1 1 4 VAL CB C 4.416 -2.433 3.932 1.00 . A A . 4 VAL CB 1 1
3 573 1 1 4 VAL CG1 C 3.263 -1.923 3.067 1.00 . A A . 4 VAL CG1 1 1
3 574 1 1 4 VAL CG2 C 4.765 -3.865 3.521 1.00 . A A . 4 VAL CG2 1 1
3 575 1 1 4 VAL H H 4.354 -0.101 4.701 1.00 . A A . 4 VAL H 1 1
3 576 1 1 4 VAL HA H 6.480 -1.933 4.275 1.00 . A A . 4 VAL HA 1 1
3 577 1 1 4 VAL HB H 4.122 -2.416 4.972 1.00 . A A . 4 VAL HB 1 1
3 578 1 1 4 VAL HG11 H 2.410 -2.575 3.184 1.00 . A A . 4 VAL HG11 1 1
3 579 1 1 4 VAL HG12 H 3.569 -1.911 2.032 1.00 . A A . 4 VAL HG12 1 1
3 580 1 1 4 VAL HG13 H 2.997 -0.923 3.376 1.00 . A A . 4 VAL HG13 1 1
3 581 1 1 4 VAL HG21 H 5.713 -4.144 3.956 1.00 . A A . 4 VAL HG21 1 1
3 582 1 1 4 VAL HG22 H 4.831 -3.924 2.445 1.00 . A A . 4 VAL HG22 1 1
3 583 1 1 4 VAL HG23 H 3.995 -4.538 3.871 1.00 . A A . 4 VAL HG23 1 1
3 584 1 1 4 VAL N N 5.237 -0.212 4.291 1.00 . A A . 4 VAL N 1 1
3 585 1 1 4 VAL O O 5.255 -0.749 1.508 1.00 . A A . 4 VAL O 1 1
3 586 1 1 5 PRO C C 6.564 -2.814 -0.435 1.00 . A A . 5 PRO C 1 1
3 587 1 1 5 PRO CA C 7.489 -1.967 0.441 1.00 . A A . 5 PRO CA 1 1
3 588 1 1 5 PRO CB C 8.895 -2.560 0.482 1.00 . A A . 5 PRO CB 1 1
3 589 1 1 5 PRO CD C 7.953 -2.818 2.689 1.00 . A A . 5 PRO CD 1 1
3 590 1 1 5 PRO CG C 8.913 -3.427 1.700 1.00 . A A . 5 PRO CG 1 1
3 591 1 1 5 PRO HA H 7.525 -0.949 0.088 1.00 . A A . 5 PRO HA 1 1
3 592 1 1 5 PRO HB2 H 9.079 -3.149 -0.406 1.00 . A A . 5 PRO HB2 1 1
3 593 1 1 5 PRO HB3 H 9.632 -1.777 0.575 1.00 . A A . 5 PRO HB3 1 1
3 594 1 1 5 PRO HD2 H 7.407 -3.592 3.212 1.00 . A A . 5 PRO HD2 1 1
3 595 1 1 5 PRO HD3 H 8.477 -2.183 3.385 1.00 . A A . 5 PRO HD3 1 1
3 596 1 1 5 PRO HG2 H 8.597 -4.429 1.443 1.00 . A A . 5 PRO HG2 1 1
3 597 1 1 5 PRO HG3 H 9.905 -3.449 2.123 1.00 . A A . 5 PRO HG3 1 1
3 598 1 1 5 PRO N N 7.049 -2.018 1.856 1.00 . A A . 5 PRO N 1 1
3 599 1 1 5 PRO O O 6.491 -4.019 -0.295 1.00 . A A . 5 PRO O 1 1
3 600 1 1 6 GLY C C 3.488 -2.569 -1.927 1.00 . A A . 6 GLY C 1 1
3 601 1 1 6 GLY CA C 4.936 -2.966 -2.220 1.00 . A A . 6 GLY CA 1 1
3 602 1 1 6 GLY H H 5.927 -1.221 -1.436 1.00 . A A . 6 GLY H 1 1
3 603 1 1 6 GLY HA2 H 5.167 -2.753 -3.255 1.00 . A A . 6 GLY HA2 1 1
3 604 1 1 6 GLY HA3 H 5.060 -4.022 -2.033 1.00 . A A . 6 GLY HA3 1 1
3 605 1 1 6 GLY N N 5.855 -2.194 -1.338 1.00 . A A . 6 GLY N 1 1
3 606 1 1 6 GLY O O 2.632 -2.625 -2.789 1.00 . A A . 6 GLY O 1 1
3 607 1 1 7 MET C C 0.846 -2.887 -0.793 1.00 . A A . 7 MET C 1 1
3 608 1 1 7 MET CA C 1.810 -1.782 -0.367 1.00 . A A . 7 MET CA 1 1
3 609 1 1 7 MET CB C 1.547 -0.500 -1.159 1.00 . A A . 7 MET CB 1 1
3 610 1 1 7 MET CE C 3.036 3.212 -1.095 1.00 . A A . 7 MET CE 1 1
3 611 1 1 7 MET CG C 2.294 0.667 -0.510 1.00 . A A . 7 MET CG 1 1
3 612 1 1 7 MET H H 3.904 -2.144 -0.037 1.00 . A A . 7 MET H 1 1
3 613 1 1 7 MET HA H 1.725 -1.588 0.692 1.00 . A A . 7 MET HA 1 1
3 614 1 1 7 MET HB2 H 1.891 -0.628 -2.176 1.00 . A A . 7 MET HB2 1 1
3 615 1 1 7 MET HB3 H 0.488 -0.290 -1.161 1.00 . A A . 7 MET HB3 1 1
3 616 1 1 7 MET HE1 H 3.203 3.190 -0.027 1.00 . A A . 7 MET HE1 1 1
3 617 1 1 7 MET HE2 H 2.033 3.555 -1.293 1.00 . A A . 7 MET HE2 1 1
3 618 1 1 7 MET HE3 H 3.743 3.883 -1.563 1.00 . A A . 7 MET HE3 1 1
3 619 1 1 7 MET HG2 H 1.583 1.345 -0.062 1.00 . A A . 7 MET HG2 1 1
3 620 1 1 7 MET HG3 H 2.961 0.290 0.251 1.00 . A A . 7 MET HG3 1 1
3 621 1 1 7 MET N N 3.204 -2.175 -0.716 1.00 . A A . 7 MET N 1 1
3 622 1 1 7 MET O O 1.251 -4.000 -1.066 1.00 . A A . 7 MET O 1 1
3 623 1 1 7 MET SD S 3.252 1.547 -1.769 1.00 . A A . 7 MET SD 1 1
3 624 1 1 8 THR C C -1.234 -4.887 -0.402 1.00 . A A . 8 THR C 1 1
3 625 1 1 8 THR CA C -1.391 -3.644 -1.282 1.00 . A A . 8 THR CA 1 1
3 626 1 1 8 THR CB C -1.004 -3.954 -2.730 1.00 . A A . 8 THR CB 1 1
3 627 1 1 8 THR CG2 C -1.678 -5.249 -3.189 1.00 . A A . 8 THR CG2 1 1
3 628 1 1 8 THR H H -0.735 -1.694 -0.645 1.00 . A A . 8 THR H 1 1
3 629 1 1 8 THR HA H -2.401 -3.271 -1.240 1.00 . A A . 8 THR HA 1 1
3 630 1 1 8 THR HB H 0.070 -4.066 -2.795 1.00 . A A . 8 THR HB 1 1
3 631 1 1 8 THR HG1 H -1.029 -3.016 -4.434 1.00 . A A . 8 THR HG1 1 1
3 632 1 1 8 THR HG21 H -2.428 -5.019 -3.932 1.00 . A A . 8 THR HG21 1 1
3 633 1 1 8 THR HG22 H -2.146 -5.735 -2.347 1.00 . A A . 8 THR HG22 1 1
3 634 1 1 8 THR HG23 H -0.938 -5.907 -3.619 1.00 . A A . 8 THR HG23 1 1
3 635 1 1 8 THR N N -0.422 -2.596 -0.862 1.00 . A A . 8 THR N 1 1
3 636 1 1 8 THR O O -0.685 -5.888 -0.819 1.00 . A A . 8 THR O 1 1
3 637 1 1 8 THR OG1 O -1.419 -2.883 -3.566 1.00 . A A . 8 THR OG1 1 1
3 638 1 1 9 CYS C C -2.799 -6.139 2.619 1.00 . A A . 9 CYS C 1 1
3 639 1 1 9 CYS CA C -1.586 -6.021 1.706 1.00 . A A . 9 CYS CA 1 1
3 640 1 1 9 CYS CB C -0.314 -5.779 2.518 1.00 . A A . 9 CYS CB 1 1
3 641 1 1 9 CYS H H -2.155 -4.022 1.130 1.00 . A A . 9 CYS H 1 1
3 642 1 1 9 CYS HA H -1.481 -6.907 1.133 1.00 . A A . 9 CYS HA 1 1
3 643 1 1 9 CYS HB2 H -0.224 -6.548 3.262 1.00 . A A . 9 CYS HB2 1 1
3 644 1 1 9 CYS HB3 H 0.544 -5.809 1.863 1.00 . A A . 9 CYS HB3 1 1
3 645 1 1 9 CYS N N -1.712 -4.836 0.810 1.00 . A A . 9 CYS N 1 1
3 646 1 1 9 CYS O O -2.679 -6.071 3.823 1.00 . A A . 9 CYS O 1 1
3 647 1 1 9 CYS SG S -0.386 -4.176 3.347 1.00 . A A . 9 CYS SG 1 1
3 648 1 1 10 ALA C C -5.079 -5.251 3.947 1.00 . A A . 10 ALA C 1 1
3 649 1 1 10 ALA CA C -5.186 -6.383 2.934 1.00 . A A . 10 ALA CA 1 1
3 650 1 1 10 ALA CB C -5.101 -7.747 3.621 1.00 . A A . 10 ALA CB 1 1
3 651 1 1 10 ALA H H -4.066 -6.341 1.088 1.00 . A A . 10 ALA H 1 1
3 652 1 1 10 ALA HA H -6.091 -6.301 2.351 1.00 . A A . 10 ALA HA 1 1
3 653 1 1 10 ALA HB1 H -4.471 -7.672 4.495 1.00 . A A . 10 ALA HB1 1 1
3 654 1 1 10 ALA HB2 H -4.682 -8.469 2.936 1.00 . A A . 10 ALA HB2 1 1
3 655 1 1 10 ALA HB3 H -6.090 -8.064 3.916 1.00 . A A . 10 ALA HB3 1 1
3 656 1 1 10 ALA N N -3.978 -6.299 2.063 1.00 . A A . 10 ALA N 1 1
3 657 1 1 10 ALA O O -5.545 -5.332 5.067 1.00 . A A . 10 ALA O 1 1
3 658 1 1 11 ALA C C -4.308 -1.752 3.624 1.00 . A A . 11 ALA C 1 1
3 659 1 1 11 ALA CA C -4.179 -3.048 4.425 1.00 . A A . 11 ALA CA 1 1
3 660 1 1 11 ALA CB C -2.740 -3.247 4.890 1.00 . A A . 11 ALA CB 1 1
3 661 1 1 11 ALA H H -4.034 -4.201 2.643 1.00 . A A . 11 ALA H 1 1
3 662 1 1 11 ALA HA H -4.852 -3.058 5.267 1.00 . A A . 11 ALA HA 1 1
3 663 1 1 11 ALA HB1 H -2.655 -2.993 5.932 1.00 . A A . 11 ALA HB1 1 1
3 664 1 1 11 ALA HB2 H -2.085 -2.617 4.307 1.00 . A A . 11 ALA HB2 1 1
3 665 1 1 11 ALA HB3 H -2.458 -4.280 4.748 1.00 . A A . 11 ALA HB3 1 1
3 666 1 1 11 ALA N N -4.412 -4.208 3.541 1.00 . A A . 11 ALA N 1 1
3 667 1 1 11 ALA O O -5.139 -0.914 3.915 1.00 . A A . 11 ALA O 1 1
3 668 1 1 12 CYS C C -3.651 -0.565 0.301 1.00 . A A . 12 CYS C 1 1
3 669 1 1 12 CYS CA C -3.594 -0.316 1.809 1.00 . A A . 12 CYS CA 1 1
3 670 1 1 12 CYS CB C -2.355 0.507 2.180 1.00 . A A . 12 CYS CB 1 1
3 671 1 1 12 CYS H H -2.822 -2.263 2.387 1.00 . A A . 12 CYS H 1 1
3 672 1 1 12 CYS HA H -4.484 0.230 2.091 1.00 . A A . 12 CYS HA 1 1
3 673 1 1 12 CYS HB2 H -2.518 1.540 1.915 1.00 . A A . 12 CYS HB2 1 1
3 674 1 1 12 CYS HB3 H -2.182 0.434 3.244 1.00 . A A . 12 CYS HB3 1 1
3 675 1 1 12 CYS N N -3.493 -1.575 2.612 1.00 . A A . 12 CYS N 1 1
3 676 1 1 12 CYS O O -3.261 0.293 -0.465 1.00 . A A . 12 CYS O 1 1
3 677 1 1 12 CYS SG S -0.906 -0.119 1.290 1.00 . A A . 12 CYS SG 1 1
3 678 1 1 13 PRO C C -5.399 -0.872 -2.012 1.00 . A A . 13 PRO C 1 1
3 679 1 1 13 PRO CA C -4.376 -1.905 -1.544 1.00 . A A . 13 PRO CA 1 1
3 680 1 1 13 PRO CB C -4.914 -3.332 -1.629 1.00 . A A . 13 PRO CB 1 1
3 681 1 1 13 PRO CD C -4.731 -2.787 0.694 1.00 . A A . 13 PRO CD 1 1
3 682 1 1 13 PRO CG C -5.548 -3.568 -0.299 1.00 . A A . 13 PRO CG 1 1
3 683 1 1 13 PRO HA H -3.440 -1.805 -2.071 1.00 . A A . 13 PRO HA 1 1
3 684 1 1 13 PRO HB2 H -5.645 -3.412 -2.421 1.00 . A A . 13 PRO HB2 1 1
3 685 1 1 13 PRO HB3 H -4.108 -4.032 -1.784 1.00 . A A . 13 PRO HB3 1 1
3 686 1 1 13 PRO HD2 H -5.352 -2.427 1.502 1.00 . A A . 13 PRO HD2 1 1
3 687 1 1 13 PRO HD3 H -3.918 -3.384 1.069 1.00 . A A . 13 PRO HD3 1 1
3 688 1 1 13 PRO HG2 H -6.570 -3.214 -0.307 1.00 . A A . 13 PRO HG2 1 1
3 689 1 1 13 PRO HG3 H -5.518 -4.617 -0.051 1.00 . A A . 13 PRO HG3 1 1
3 690 1 1 13 PRO N N -4.209 -1.675 -0.102 1.00 . A A . 13 PRO N 1 1
3 691 1 1 13 PRO O O -5.549 -0.595 -3.184 1.00 . A A . 13 PRO O 1 1
3 692 1 1 14 ILE C C -6.404 2.111 -1.481 1.00 . A A . 14 ILE C 1 1
3 693 1 1 14 ILE CA C -7.091 0.760 -1.367 1.00 . A A . 14 ILE CA 1 1
3 694 1 1 14 ILE CB C -8.075 0.733 -0.195 1.00 . A A . 14 ILE CB 1 1
3 695 1 1 14 ILE CD1 C -10.450 1.398 -0.582 1.00 . A A . 14 ILE CD1 1 1
3 696 1 1 14 ILE CG1 C -9.037 1.916 -0.313 1.00 . A A . 14 ILE CG1 1 1
3 697 1 1 14 ILE CG2 C -7.311 0.826 1.128 1.00 . A A . 14 ILE CG2 1 1
3 698 1 1 14 ILE H H -5.925 -0.521 -0.134 1.00 . A A . 14 ILE H 1 1
3 699 1 1 14 ILE HA H -7.580 0.525 -2.264 1.00 . A A . 14 ILE HA 1 1
3 700 1 1 14 ILE HB H -8.635 -0.191 -0.221 1.00 . A A . 14 ILE HB 1 1
3 701 1 1 14 ILE HD11 H -10.607 0.481 -0.034 1.00 . A A . 14 ILE HD11 1 1
3 702 1 1 14 ILE HD12 H -10.570 1.211 -1.639 1.00 . A A . 14 ILE HD12 1 1
3 703 1 1 14 ILE HD13 H -11.171 2.136 -0.264 1.00 . A A . 14 ILE HD13 1 1
3 704 1 1 14 ILE HG12 H -9.028 2.481 0.608 1.00 . A A . 14 ILE HG12 1 1
3 705 1 1 14 ILE HG13 H -8.728 2.553 -1.129 1.00 . A A . 14 ILE HG13 1 1
3 706 1 1 14 ILE HG21 H -6.271 1.039 0.929 1.00 . A A . 14 ILE HG21 1 1
3 707 1 1 14 ILE HG22 H -7.390 -0.114 1.656 1.00 . A A . 14 ILE HG22 1 1
3 708 1 1 14 ILE HG23 H -7.732 1.615 1.733 1.00 . A A . 14 ILE HG23 1 1
3 709 1 1 14 ILE N N -6.086 -0.282 -1.059 1.00 . A A . 14 ILE N 1 1
3 710 1 1 14 ILE O O -6.899 3.033 -2.099 1.00 . A A . 14 ILE O 1 1
3 711 1 1 15 THR C C -3.693 3.434 -2.302 1.00 . A A . 15 THR C 1 1
3 712 1 1 15 THR CA C -4.474 3.470 -0.991 1.00 . A A . 15 THR CA 1 1
3 713 1 1 15 THR CB C -3.570 3.387 0.236 1.00 . A A . 15 THR CB 1 1
3 714 1 1 15 THR CG2 C -2.173 3.938 -0.069 1.00 . A A . 15 THR CG2 1 1
3 715 1 1 15 THR H H -4.870 1.439 -0.446 1.00 . A A . 15 THR H 1 1
3 716 1 1 15 THR HA H -5.119 4.332 -0.942 1.00 . A A . 15 THR HA 1 1
3 717 1 1 15 THR HB H -3.494 2.348 0.526 1.00 . A A . 15 THR HB 1 1
3 718 1 1 15 THR HG1 H -5.041 3.797 1.441 1.00 . A A . 15 THR HG1 1 1
3 719 1 1 15 THR HG21 H -1.775 4.417 0.813 1.00 . A A . 15 THR HG21 1 1
3 720 1 1 15 THR HG22 H -2.236 4.657 -0.872 1.00 . A A . 15 THR HG22 1 1
3 721 1 1 15 THR HG23 H -1.524 3.127 -0.362 1.00 . A A . 15 THR HG23 1 1
3 722 1 1 15 THR N N -5.249 2.212 -0.912 1.00 . A A . 15 THR N 1 1
3 723 1 1 15 THR O O -3.887 4.249 -3.184 1.00 . A A . 15 THR O 1 1
3 724 1 1 15 THR OG1 O -4.153 4.132 1.296 1.00 . A A . 15 THR OG1 1 1
3 725 1 1 16 VAL C C -2.932 1.390 -4.645 1.00 . A A . 16 VAL C 1 1
3 726 1 1 16 VAL CA C -2.106 2.292 -3.726 1.00 . A A . 16 VAL CA 1 1
3 727 1 1 16 VAL CB C -0.788 1.614 -3.347 1.00 . A A . 16 VAL CB 1 1
3 728 1 1 16 VAL CG1 C 0.209 1.753 -4.499 1.00 . A A . 16 VAL CG1 1 1
3 729 1 1 16 VAL CG2 C -0.213 2.279 -2.096 1.00 . A A . 16 VAL CG2 1 1
3 730 1 1 16 VAL H H -2.755 1.780 -1.744 1.00 . A A . 16 VAL H 1 1
3 731 1 1 16 VAL HA H -1.924 3.250 -4.187 1.00 . A A . 16 VAL HA 1 1
3 732 1 1 16 VAL HB H -0.967 0.567 -3.151 1.00 . A A . 16 VAL HB 1 1
3 733 1 1 16 VAL HG11 H 0.368 2.799 -4.714 1.00 . A A . 16 VAL HG11 1 1
3 734 1 1 16 VAL HG12 H -0.184 1.260 -5.376 1.00 . A A . 16 VAL HG12 1 1
3 735 1 1 16 VAL HG13 H 1.147 1.296 -4.219 1.00 . A A . 16 VAL HG13 1 1
3 736 1 1 16 VAL HG21 H -0.553 1.747 -1.219 1.00 . A A . 16 VAL HG21 1 1
3 737 1 1 16 VAL HG22 H -0.548 3.304 -2.046 1.00 . A A . 16 VAL HG22 1 1
3 738 1 1 16 VAL HG23 H 0.865 2.253 -2.138 1.00 . A A . 16 VAL HG23 1 1
3 739 1 1 16 VAL N N -2.856 2.448 -2.454 1.00 . A A . 16 VAL N 1 1
3 740 1 1 16 VAL O O -2.406 0.577 -5.378 1.00 . A A . 16 VAL O 1 1
3 741 1 1 17 LYS C C -4.820 0.867 -6.907 1.00 . A A . 17 LYS C 1 1
3 742 1 1 17 LYS CA C -5.116 0.664 -5.431 1.00 . A A . 17 LYS CA 1 1
3 743 1 1 17 LYS CB C -6.542 1.103 -5.095 1.00 . A A . 17 LYS CB 1 1
3 744 1 1 17 LYS CD C -7.346 -0.780 -6.535 1.00 . A A . 17 LYS CD 1 1
3 745 1 1 17 LYS CE C -8.473 -1.800 -6.716 1.00 . A A . 17 LYS CE 1 1
3 746 1 1 17 LYS CG C -7.487 -0.100 -5.172 1.00 . A A . 17 LYS CG 1 1
3 747 1 1 17 LYS H H -4.634 2.171 -3.978 1.00 . A A . 17 LYS H 1 1
3 748 1 1 17 LYS HA H -4.972 -0.352 -5.172 1.00 . A A . 17 LYS HA 1 1
3 749 1 1 17 LYS HB2 H -6.564 1.516 -4.097 1.00 . A A . 17 LYS HB2 1 1
3 750 1 1 17 LYS HB3 H -6.862 1.854 -5.802 1.00 . A A . 17 LYS HB3 1 1
3 751 1 1 17 LYS HD2 H -7.402 -0.036 -7.316 1.00 . A A . 17 LYS HD2 1 1
3 752 1 1 17 LYS HD3 H -6.394 -1.286 -6.587 1.00 . A A . 17 LYS HD3 1 1
3 753 1 1 17 LYS HE2 H -9.375 -1.452 -6.229 1.00 . A A . 17 LYS HE2 1 1
3 754 1 1 17 LYS HE3 H -8.655 -1.978 -7.764 1.00 . A A . 17 LYS HE3 1 1
3 755 1 1 17 LYS HG2 H -7.239 -0.803 -4.391 1.00 . A A . 17 LYS HG2 1 1
3 756 1 1 17 LYS HG3 H -8.506 0.235 -5.044 1.00 . A A . 17 LYS HG3 1 1
3 757 1 1 17 LYS HZ1 H -7.362 -2.795 -5.263 1.00 . A A . 17 LYS HZ1 1 1
3 758 1 1 17 LYS HZ2 H -7.435 -3.603 -6.756 1.00 . A A . 17 LYS HZ2 1 1
3 759 1 1 17 LYS HZ3 H -8.782 -3.602 -5.721 1.00 . A A . 17 LYS HZ3 1 1
3 760 1 1 17 LYS N N -4.235 1.519 -4.588 1.00 . A A . 17 LYS N 1 1
3 761 1 1 17 LYS NZ N -7.975 -3.044 -6.065 1.00 . A A . 17 LYS NZ 1 1
3 762 1 1 17 LYS O O -5.269 0.125 -7.758 1.00 . A A . 17 LYS O 1 1
3 763 1 1 18 LYS C C -4.980 2.386 -9.443 1.00 . A A . 18 LYS C 1 1
3 764 1 1 18 LYS CA C -3.714 2.142 -8.618 1.00 . A A . 18 LYS CA 1 1
3 765 1 1 18 LYS CB C -2.984 0.889 -9.101 1.00 . A A . 18 LYS CB 1 1
3 766 1 1 18 LYS CD C -0.907 1.870 -8.125 1.00 . A A . 18 LYS CD 1 1
3 767 1 1 18 LYS CE C 0.619 1.857 -8.238 1.00 . A A . 18 LYS CE 1 1
3 768 1 1 18 LYS CG C -1.518 1.228 -9.372 1.00 . A A . 18 LYS CG 1 1
3 769 1 1 18 LYS H H -3.726 2.432 -6.494 1.00 . A A . 18 LYS H 1 1
3 770 1 1 18 LYS HA H -3.060 2.988 -8.668 1.00 . A A . 18 LYS HA 1 1
3 771 1 1 18 LYS HB2 H -3.043 0.122 -8.342 1.00 . A A . 18 LYS HB2 1 1
3 772 1 1 18 LYS HB3 H -3.443 0.532 -10.011 1.00 . A A . 18 LYS HB3 1 1
3 773 1 1 18 LYS HD2 H -1.253 2.890 -8.039 1.00 . A A . 18 LYS HD2 1 1
3 774 1 1 18 LYS HD3 H -1.206 1.313 -7.250 1.00 . A A . 18 LYS HD3 1 1
3 775 1 1 18 LYS HE2 H 1.013 0.921 -7.866 1.00 . A A . 18 LYS HE2 1 1
3 776 1 1 18 LYS HE3 H 0.923 2.015 -9.261 1.00 . A A . 18 LYS HE3 1 1
3 777 1 1 18 LYS HG2 H -0.978 0.325 -9.615 1.00 . A A . 18 LYS HG2 1 1
3 778 1 1 18 LYS HG3 H -1.455 1.920 -10.198 1.00 . A A . 18 LYS HG3 1 1
3 779 1 1 18 LYS HZ1 H 1.326 2.638 -6.443 1.00 . A A . 18 LYS HZ1 1 1
3 780 1 1 18 LYS HZ2 H 0.312 3.693 -7.308 1.00 . A A . 18 LYS HZ2 1 1
3 781 1 1 18 LYS HZ3 H 1.910 3.435 -7.822 1.00 . A A . 18 LYS HZ3 1 1
3 782 1 1 18 LYS N N -4.066 1.863 -7.205 1.00 . A A . 18 LYS N 1 1
3 783 1 1 18 LYS NZ N 1.076 2.991 -7.389 1.00 . A A . 18 LYS NZ 1 1
3 784 1 1 18 LYS O O -4.890 2.330 -10.659 1.00 . A A . 18 LYS O 1 1
3 785 1 1 18 LYS OXT O -6.016 2.624 -8.845 1.00 . A A . 18 LYS OXT 1 1
3 786 2 2 1 HG HG HG -0.585 -2.325 1.957 1.00 . B A . 20 HG HG 1 1
4 787 1 1 1 THR C C 2.628 5.157 4.807 1.00 . A A . 1 THR C 1 1
4 788 1 1 1 THR CA C 3.138 5.415 6.227 1.00 . A A . 1 THR CA 1 1
4 789 1 1 1 THR CB C 4.624 5.065 6.330 1.00 . A A . 1 THR CB 1 1
4 790 1 1 1 THR CG2 C 5.199 5.644 7.623 1.00 . A A . 1 THR CG2 1 1
4 791 1 1 1 THR H1 H 2.861 4.639 8.142 1.00 . A A . 1 THR H1 1 1
4 792 1 1 1 THR H2 H 2.598 3.515 6.895 1.00 . A A . 1 THR H2 1 1
4 793 1 1 1 THR H3 H 1.442 4.717 7.217 1.00 . A A . 1 THR H3 1 1
4 794 1 1 1 THR HA H 2.981 6.445 6.505 1.00 . A A . 1 THR HA 1 1
4 795 1 1 1 THR HB H 5.151 5.484 5.487 1.00 . A A . 1 THR HB 1 1
4 796 1 1 1 THR HG1 H 4.292 3.301 5.581 1.00 . A A . 1 THR HG1 1 1
4 797 1 1 1 THR HG21 H 5.486 6.673 7.459 1.00 . A A . 1 THR HG21 1 1
4 798 1 1 1 THR HG22 H 6.066 5.072 7.919 1.00 . A A . 1 THR HG22 1 1
4 799 1 1 1 THR HG23 H 4.453 5.598 8.402 1.00 . A A . 1 THR HG23 1 1
4 800 1 1 1 THR N N 2.459 4.503 7.193 1.00 . A A . 1 THR N 1 1
4 801 1 1 1 THR O O 2.317 4.040 4.443 1.00 . A A . 1 THR O 1 1
4 802 1 1 1 THR OG1 O 4.776 3.653 6.332 1.00 . A A . 1 THR OG1 1 1
4 803 1 1 2 LEU C C 2.860 4.875 1.920 1.00 . A A . 2 LEU C 1 1
4 804 1 1 2 LEU CA C 2.057 5.984 2.604 1.00 . A A . 2 LEU CA 1 1
4 805 1 1 2 LEU CB C 2.295 7.325 1.910 1.00 . A A . 2 LEU CB 1 1
4 806 1 1 2 LEU CD1 C 0.706 6.489 0.171 1.00 . A A . 2 LEU CD1 1 1
4 807 1 1 2 LEU CD2 C -0.100 8.025 1.968 1.00 . A A . 2 LEU CD2 1 1
4 808 1 1 2 LEU CG C 1.078 7.681 1.055 1.00 . A A . 2 LEU CG 1 1
4 809 1 1 2 LEU H H 2.801 7.072 4.310 1.00 . A A . 2 LEU H 1 1
4 810 1 1 2 LEU HA H 1.004 5.748 2.600 1.00 . A A . 2 LEU HA 1 1
4 811 1 1 2 LEU HB2 H 2.450 8.093 2.655 1.00 . A A . 2 LEU HB2 1 1
4 812 1 1 2 LEU HB3 H 3.168 7.254 1.279 1.00 . A A . 2 LEU HB3 1 1
4 813 1 1 2 LEU HD11 H 0.436 5.648 0.794 1.00 . A A . 2 LEU HD11 1 1
4 814 1 1 2 LEU HD12 H 1.550 6.222 -0.447 1.00 . A A . 2 LEU HD12 1 1
4 815 1 1 2 LEU HD13 H -0.131 6.754 -0.458 1.00 . A A . 2 LEU HD13 1 1
4 816 1 1 2 LEU HD21 H -1.019 7.983 1.403 1.00 . A A . 2 LEU HD21 1 1
4 817 1 1 2 LEU HD22 H 0.032 9.021 2.367 1.00 . A A . 2 LEU HD22 1 1
4 818 1 1 2 LEU HD23 H -0.145 7.316 2.781 1.00 . A A . 2 LEU HD23 1 1
4 819 1 1 2 LEU HG H 1.313 8.532 0.431 1.00 . A A . 2 LEU HG 1 1
4 820 1 1 2 LEU N N 2.543 6.179 4.000 1.00 . A A . 2 LEU N 1 1
4 821 1 1 2 LEU O O 2.328 4.085 1.164 1.00 . A A . 2 LEU O 1 1
4 822 1 1 3 ALA C C 5.338 2.681 2.592 1.00 . A A . 3 ALA C 1 1
4 823 1 1 3 ALA CA C 4.975 3.747 1.554 1.00 . A A . 3 ALA CA 1 1
4 824 1 1 3 ALA CB C 6.231 4.470 1.066 1.00 . A A . 3 ALA CB 1 1
4 825 1 1 3 ALA H H 4.544 5.452 2.799 1.00 . A A . 3 ALA H 1 1
4 826 1 1 3 ALA HA H 4.458 3.301 0.719 1.00 . A A . 3 ALA HA 1 1
4 827 1 1 3 ALA HB1 H 6.574 5.152 1.830 1.00 . A A . 3 ALA HB1 1 1
4 828 1 1 3 ALA HB2 H 6.002 5.022 0.167 1.00 . A A . 3 ALA HB2 1 1
4 829 1 1 3 ALA HB3 H 7.004 3.746 0.857 1.00 . A A . 3 ALA HB3 1 1
4 830 1 1 3 ALA N N 4.136 4.807 2.184 1.00 . A A . 3 ALA N 1 1
4 831 1 1 3 ALA O O 5.757 2.989 3.690 1.00 . A A . 3 ALA O 1 1
4 832 1 1 4 VAL C C 6.520 -0.619 2.596 1.00 . A A . 4 VAL C 1 1
4 833 1 1 4 VAL CA C 5.510 0.348 3.225 1.00 . A A . 4 VAL CA 1 1
4 834 1 1 4 VAL CB C 4.175 -0.355 3.500 1.00 . A A . 4 VAL CB 1 1
4 835 1 1 4 VAL CG1 C 3.072 0.689 3.689 1.00 . A A . 4 VAL CG1 1 1
4 836 1 1 4 VAL CG2 C 3.815 -1.260 2.318 1.00 . A A . 4 VAL CG2 1 1
4 837 1 1 4 VAL H H 4.834 1.202 1.363 1.00 . A A . 4 VAL H 1 1
4 838 1 1 4 VAL HA H 5.904 0.766 4.138 1.00 . A A . 4 VAL HA 1 1
4 839 1 1 4 VAL HB H 4.258 -0.949 4.397 1.00 . A A . 4 VAL HB 1 1
4 840 1 1 4 VAL HG11 H 3.515 1.672 3.757 1.00 . A A . 4 VAL HG11 1 1
4 841 1 1 4 VAL HG12 H 2.527 0.477 4.597 1.00 . A A . 4 VAL HG12 1 1
4 842 1 1 4 VAL HG13 H 2.396 0.656 2.848 1.00 . A A . 4 VAL HG13 1 1
4 843 1 1 4 VAL HG21 H 4.617 -1.963 2.146 1.00 . A A . 4 VAL HG21 1 1
4 844 1 1 4 VAL HG22 H 3.670 -0.657 1.434 1.00 . A A . 4 VAL HG22 1 1
4 845 1 1 4 VAL HG23 H 2.906 -1.798 2.540 1.00 . A A . 4 VAL HG23 1 1
4 846 1 1 4 VAL N N 5.177 1.431 2.254 1.00 . A A . 4 VAL N 1 1
4 847 1 1 4 VAL O O 6.759 -0.571 1.406 1.00 . A A . 4 VAL O 1 1
4 848 1 1 5 PRO C C 7.360 -3.483 2.017 1.00 . A A . 5 PRO C 1 1
4 849 1 1 5 PRO CA C 8.061 -2.465 2.916 1.00 . A A . 5 PRO CA 1 1
4 850 1 1 5 PRO CB C 8.593 -3.116 4.191 1.00 . A A . 5 PRO CB 1 1
4 851 1 1 5 PRO CD C 6.843 -1.608 4.857 1.00 . A A . 5 PRO CD 1 1
4 852 1 1 5 PRO CG C 7.511 -2.913 5.201 1.00 . A A . 5 PRO CG 1 1
4 853 1 1 5 PRO HA H 8.862 -1.973 2.387 1.00 . A A . 5 PRO HA 1 1
4 854 1 1 5 PRO HB2 H 8.768 -4.171 4.029 1.00 . A A . 5 PRO HB2 1 1
4 855 1 1 5 PRO HB3 H 9.498 -2.627 4.516 1.00 . A A . 5 PRO HB3 1 1
4 856 1 1 5 PRO HD2 H 5.787 -1.658 5.075 1.00 . A A . 5 PRO HD2 1 1
4 857 1 1 5 PRO HD3 H 7.305 -0.791 5.387 1.00 . A A . 5 PRO HD3 1 1
4 858 1 1 5 PRO HG2 H 6.798 -3.724 5.146 1.00 . A A . 5 PRO HG2 1 1
4 859 1 1 5 PRO HG3 H 7.934 -2.856 6.192 1.00 . A A . 5 PRO HG3 1 1
4 860 1 1 5 PRO N N 7.075 -1.474 3.414 1.00 . A A . 5 PRO N 1 1
4 861 1 1 5 PRO O O 7.254 -4.650 2.338 1.00 . A A . 5 PRO O 1 1
4 862 1 1 6 GLY C C 5.016 -3.179 -0.703 1.00 . A A . 6 GLY C 1 1
4 863 1 1 6 GLY CA C 6.156 -3.950 -0.039 1.00 . A A . 6 GLY CA 1 1
4 864 1 1 6 GLY H H 6.962 -2.087 0.669 1.00 . A A . 6 GLY H 1 1
4 865 1 1 6 GLY HA2 H 6.845 -4.307 -0.792 1.00 . A A . 6 GLY HA2 1 1
4 866 1 1 6 GLY HA3 H 5.751 -4.786 0.510 1.00 . A A . 6 GLY HA3 1 1
4 867 1 1 6 GLY N N 6.869 -3.035 0.895 1.00 . A A . 6 GLY N 1 1
4 868 1 1 6 GLY O O 4.754 -2.040 -0.371 1.00 . A A . 6 GLY O 1 1
4 869 1 1 7 MET C C 2.107 -4.047 -2.695 1.00 . A A . 7 MET C 1 1
4 870 1 1 7 MET CA C 3.215 -3.064 -2.312 1.00 . A A . 7 MET CA 1 1
4 871 1 1 7 MET CB C 3.838 -2.444 -3.562 1.00 . A A . 7 MET CB 1 1
4 872 1 1 7 MET CE C 5.862 1.135 -3.353 1.00 . A A . 7 MET CE 1 1
4 873 1 1 7 MET CG C 4.152 -0.971 -3.298 1.00 . A A . 7 MET CG 1 1
4 874 1 1 7 MET H H 4.558 -4.699 -1.895 1.00 . A A . 7 MET H 1 1
4 875 1 1 7 MET HA H 2.827 -2.286 -1.671 1.00 . A A . 7 MET HA 1 1
4 876 1 1 7 MET HB2 H 4.750 -2.969 -3.808 1.00 . A A . 7 MET HB2 1 1
4 877 1 1 7 MET HB3 H 3.145 -2.520 -4.386 1.00 . A A . 7 MET HB3 1 1
4 878 1 1 7 MET HE1 H 5.989 1.704 -4.263 1.00 . A A . 7 MET HE1 1 1
4 879 1 1 7 MET HE2 H 6.669 1.359 -2.675 1.00 . A A . 7 MET HE2 1 1
4 880 1 1 7 MET HE3 H 4.921 1.394 -2.888 1.00 . A A . 7 MET HE3 1 1
4 881 1 1 7 MET HG2 H 3.496 -0.351 -3.892 1.00 . A A . 7 MET HG2 1 1
4 882 1 1 7 MET HG3 H 4.002 -0.753 -2.251 1.00 . A A . 7 MET HG3 1 1
4 883 1 1 7 MET N N 4.335 -3.781 -1.637 1.00 . A A . 7 MET N 1 1
4 884 1 1 7 MET O O 2.349 -5.050 -3.336 1.00 . A A . 7 MET O 1 1
4 885 1 1 7 MET SD S 5.872 -0.631 -3.745 1.00 . A A . 7 MET SD 1 1
4 886 1 1 8 THR C C 0.096 -6.114 -2.212 1.00 . A A . 8 THR C 1 1
4 887 1 1 8 THR CA C -0.230 -4.684 -2.653 1.00 . A A . 8 THR CA 1 1
4 888 1 1 8 THR CB C -0.348 -4.610 -4.177 1.00 . A A . 8 THR CB 1 1
4 889 1 1 8 THR CG2 C -1.651 -5.273 -4.623 1.00 . A A . 8 THR CG2 1 1
4 890 1 1 8 THR H H 0.718 -2.951 -1.795 1.00 . A A . 8 THR H 1 1
4 891 1 1 8 THR HA H -1.147 -4.348 -2.197 1.00 . A A . 8 THR HA 1 1
4 892 1 1 8 THR HB H 0.486 -5.125 -4.629 1.00 . A A . 8 THR HB 1 1
4 893 1 1 8 THR HG1 H -0.205 -3.223 -5.535 1.00 . A A . 8 THR HG1 1 1
4 894 1 1 8 THR HG21 H -2.435 -4.532 -4.667 1.00 . A A . 8 THR HG21 1 1
4 895 1 1 8 THR HG22 H -1.923 -6.043 -3.916 1.00 . A A . 8 THR HG22 1 1
4 896 1 1 8 THR HG23 H -1.516 -5.713 -5.600 1.00 . A A . 8 THR HG23 1 1
4 897 1 1 8 THR N N 0.892 -3.766 -2.309 1.00 . A A . 8 THR N 1 1
4 898 1 1 8 THR O O 0.707 -6.873 -2.939 1.00 . A A . 8 THR O 1 1
4 899 1 1 8 THR OG1 O -0.341 -3.248 -4.584 1.00 . A A . 8 THR OG1 1 1
4 900 1 1 9 CYS C C -0.803 -8.190 0.719 1.00 . A A . 9 CYS C 1 1
4 901 1 1 9 CYS CA C -0.023 -7.877 -0.554 1.00 . A A . 9 CYS CA 1 1
4 902 1 1 9 CYS CB C 1.486 -7.916 -0.302 1.00 . A A . 9 CYS CB 1 1
4 903 1 1 9 CYS H H -0.804 -5.869 -0.456 1.00 . A A . 9 CYS H 1 1
4 904 1 1 9 CYS HA H -0.274 -8.583 -1.306 1.00 . A A . 9 CYS HA 1 1
4 905 1 1 9 CYS HB2 H 1.748 -8.873 0.108 1.00 . A A . 9 CYS HB2 1 1
4 906 1 1 9 CYS HB3 H 2.011 -7.769 -1.235 1.00 . A A . 9 CYS HB3 1 1
4 907 1 1 9 CYS N N -0.309 -6.492 -1.029 1.00 . A A . 9 CYS N 1 1
4 908 1 1 9 CYS O O -0.228 -8.502 1.740 1.00 . A A . 9 CYS O 1 1
4 909 1 1 9 CYS SG S 1.970 -6.630 0.869 1.00 . A A . 9 CYS SG 1 1
4 910 1 1 10 ALA C C -2.228 -7.627 3.051 1.00 . A A . 10 ALA C 1 1
4 911 1 1 10 ALA CA C -2.904 -8.376 1.912 1.00 . A A . 10 ALA CA 1 1
4 912 1 1 10 ALA CB C -2.823 -9.889 2.126 1.00 . A A . 10 ALA CB 1 1
4 913 1 1 10 ALA H H -2.565 -7.843 -0.154 1.00 . A A . 10 ALA H 1 1
4 914 1 1 10 ALA HA H -3.929 -8.060 1.793 1.00 . A A . 10 ALA HA 1 1
4 915 1 1 10 ALA HB1 H -1.905 -10.131 2.641 1.00 . A A . 10 ALA HB1 1 1
4 916 1 1 10 ALA HB2 H -2.842 -10.390 1.169 1.00 . A A . 10 ALA HB2 1 1
4 917 1 1 10 ALA HB3 H -3.665 -10.214 2.719 1.00 . A A . 10 ALA HB3 1 1
4 918 1 1 10 ALA N N -2.113 -8.102 0.676 1.00 . A A . 10 ALA N 1 1
4 919 1 1 10 ALA O O -2.253 -8.024 4.199 1.00 . A A . 10 ALA O 1 1
4 920 1 1 11 ALA C C -1.029 -4.254 3.376 1.00 . A A . 11 ALA C 1 1
4 921 1 1 11 ALA CA C -0.841 -5.740 3.685 1.00 . A A . 11 ALA CA 1 1
4 922 1 1 11 ALA CB C 0.609 -6.154 3.454 1.00 . A A . 11 ALA CB 1 1
4 923 1 1 11 ALA H H -1.572 -6.285 1.762 1.00 . A A . 11 ALA H 1 1
4 924 1 1 11 ALA HA H -1.144 -5.974 4.692 1.00 . A A . 11 ALA HA 1 1
4 925 1 1 11 ALA HB1 H 0.632 -7.100 2.932 1.00 . A A . 11 ALA HB1 1 1
4 926 1 1 11 ALA HB2 H 1.115 -6.254 4.397 1.00 . A A . 11 ALA HB2 1 1
4 927 1 1 11 ALA HB3 H 1.103 -5.406 2.852 1.00 . A A . 11 ALA HB3 1 1
4 928 1 1 11 ALA N N -1.584 -6.550 2.700 1.00 . A A . 11 ALA N 1 1
4 929 1 1 11 ALA O O -1.462 -3.488 4.214 1.00 . A A . 11 ALA O 1 1
4 930 1 1 12 CYS C C -1.472 -2.160 0.454 1.00 . A A . 12 CYS C 1 1
4 931 1 1 12 CYS CA C -0.877 -2.387 1.844 1.00 . A A . 12 CYS CA 1 1
4 932 1 1 12 CYS CB C 0.526 -1.779 1.953 1.00 . A A . 12 CYS CB 1 1
4 933 1 1 12 CYS H H -0.353 -4.467 1.507 1.00 . A A . 12 CYS H 1 1
4 934 1 1 12 CYS HA H -1.531 -1.917 2.566 1.00 . A A . 12 CYS HA 1 1
4 935 1 1 12 CYS HB2 H 0.445 -0.712 2.091 1.00 . A A . 12 CYS HB2 1 1
4 936 1 1 12 CYS HB3 H 1.037 -2.210 2.802 1.00 . A A . 12 CYS HB3 1 1
4 937 1 1 12 CYS N N -0.706 -3.835 2.177 1.00 . A A . 12 CYS N 1 1
4 938 1 1 12 CYS O O -1.176 -1.164 -0.175 1.00 . A A . 12 CYS O 1 1
4 939 1 1 12 CYS SG S 1.470 -2.119 0.444 1.00 . A A . 12 CYS SG 1 1
4 940 1 1 13 PRO C C -3.965 -1.617 -1.019 1.00 . A A . 13 PRO C 1 1
4 941 1 1 13 PRO CA C -3.034 -2.807 -1.244 1.00 . A A . 13 PRO CA 1 1
4 942 1 1 13 PRO CB C -3.809 -4.101 -1.480 1.00 . A A . 13 PRO CB 1 1
4 943 1 1 13 PRO CD C -2.803 -4.259 0.696 1.00 . A A . 13 PRO CD 1 1
4 944 1 1 13 PRO CG C -4.003 -4.675 -0.114 1.00 . A A . 13 PRO CG 1 1
4 945 1 1 13 PRO HA H -2.329 -2.619 -2.039 1.00 . A A . 13 PRO HA 1 1
4 946 1 1 13 PRO HB2 H -4.764 -3.888 -1.943 1.00 . A A . 13 PRO HB2 1 1
4 947 1 1 13 PRO HB3 H -3.235 -4.781 -2.089 1.00 . A A . 13 PRO HB3 1 1
4 948 1 1 13 PRO HD2 H -3.083 -4.069 1.723 1.00 . A A . 13 PRO HD2 1 1
4 949 1 1 13 PRO HD3 H -2.033 -5.006 0.640 1.00 . A A . 13 PRO HD3 1 1
4 950 1 1 13 PRO HG2 H -4.907 -4.280 0.327 1.00 . A A . 13 PRO HG2 1 1
4 951 1 1 13 PRO HG3 H -4.052 -5.751 -0.167 1.00 . A A . 13 PRO HG3 1 1
4 952 1 1 13 PRO N N -2.353 -3.029 0.040 1.00 . A A . 13 PRO N 1 1
4 953 1 1 13 PRO O O -4.486 -1.017 -1.938 1.00 . A A . 13 PRO O 1 1
4 954 1 1 14 ILE C C -4.177 1.142 0.666 1.00 . A A . 14 ILE C 1 1
4 955 1 1 14 ILE CA C -5.011 -0.129 0.604 1.00 . A A . 14 ILE CA 1 1
4 956 1 1 14 ILE CB C -5.593 -0.480 1.977 1.00 . A A . 14 ILE CB 1 1
4 957 1 1 14 ILE CD1 C -7.596 0.290 3.253 1.00 . A A . 14 ILE CD1 1 1
4 958 1 1 14 ILE CG1 C -6.314 0.741 2.552 1.00 . A A . 14 ILE CG1 1 1
4 959 1 1 14 ILE CG2 C -4.469 -0.902 2.927 1.00 . A A . 14 ILE CG2 1 1
4 960 1 1 14 ILE H H -3.706 -1.774 0.942 1.00 . A A . 14 ILE H 1 1
4 961 1 1 14 ILE HA H -5.777 -0.024 -0.105 1.00 . A A . 14 ILE HA 1 1
4 962 1 1 14 ILE HB H -6.295 -1.294 1.869 1.00 . A A . 14 ILE HB 1 1
4 963 1 1 14 ILE HD11 H -8.368 0.123 2.517 1.00 . A A . 14 ILE HD11 1 1
4 964 1 1 14 ILE HD12 H -7.917 1.056 3.944 1.00 . A A . 14 ILE HD12 1 1
4 965 1 1 14 ILE HD13 H -7.409 -0.626 3.792 1.00 . A A . 14 ILE HD13 1 1
4 966 1 1 14 ILE HG12 H -5.669 1.237 3.263 1.00 . A A . 14 ILE HG12 1 1
4 967 1 1 14 ILE HG13 H -6.563 1.423 1.754 1.00 . A A . 14 ILE HG13 1 1
4 968 1 1 14 ILE HG21 H -4.557 -1.958 3.141 1.00 . A A . 14 ILE HG21 1 1
4 969 1 1 14 ILE HG22 H -4.543 -0.342 3.846 1.00 . A A . 14 ILE HG22 1 1
4 970 1 1 14 ILE HG23 H -3.513 -0.709 2.463 1.00 . A A . 14 ILE HG23 1 1
4 971 1 1 14 ILE N N -4.150 -1.274 0.238 1.00 . A A . 14 ILE N 1 1
4 972 1 1 14 ILE O O -4.675 2.243 0.530 1.00 . A A . 14 ILE O 1 1
4 973 1 1 15 THR C C -1.768 2.618 -0.550 1.00 . A A . 15 THR C 1 1
4 974 1 1 15 THR CA C -1.998 2.155 0.886 1.00 . A A . 15 THR CA 1 1
4 975 1 1 15 THR CB C -0.737 1.575 1.519 1.00 . A A . 15 THR CB 1 1
4 976 1 1 15 THR CG2 C 0.525 2.180 0.894 1.00 . A A . 15 THR CG2 1 1
4 977 1 1 15 THR H H -2.538 0.081 0.923 1.00 . A A . 15 THR H 1 1
4 978 1 1 15 THR HA H -2.407 2.946 1.493 1.00 . A A . 15 THR HA 1 1
4 979 1 1 15 THR HB H -0.744 0.507 1.356 1.00 . A A . 15 THR HB 1 1
4 980 1 1 15 THR HG1 H 0.036 1.440 3.299 1.00 . A A . 15 THR HG1 1 1
4 981 1 1 15 THR HG21 H 0.333 3.205 0.614 1.00 . A A . 15 THR HG21 1 1
4 982 1 1 15 THR HG22 H 0.801 1.613 0.017 1.00 . A A . 15 THR HG22 1 1
4 983 1 1 15 THR HG23 H 1.332 2.149 1.611 1.00 . A A . 15 THR HG23 1 1
4 984 1 1 15 THR N N -2.907 0.985 0.842 1.00 . A A . 15 THR N 1 1
4 985 1 1 15 THR O O -2.224 3.666 -0.962 1.00 . A A . 15 THR O 1 1
4 986 1 1 15 THR OG1 O -0.748 1.839 2.915 1.00 . A A . 15 THR OG1 1 1
4 987 1 1 16 VAL C C -2.048 1.574 -3.565 1.00 . A A . 16 VAL C 1 1
4 988 1 1 16 VAL CA C -0.889 2.158 -2.755 1.00 . A A . 16 VAL CA 1 1
4 989 1 1 16 VAL CB C 0.432 1.493 -3.141 1.00 . A A . 16 VAL CB 1 1
4 990 1 1 16 VAL CG1 C 0.731 1.768 -4.616 1.00 . A A . 16 VAL CG1 1 1
4 991 1 1 16 VAL CG2 C 1.559 2.064 -2.277 1.00 . A A . 16 VAL CG2 1 1
4 992 1 1 16 VAL H H -0.782 0.953 -0.980 1.00 . A A . 16 VAL H 1 1
4 993 1 1 16 VAL HA H -0.828 3.227 -2.885 1.00 . A A . 16 VAL HA 1 1
4 994 1 1 16 VAL HB H 0.358 0.427 -2.982 1.00 . A A . 16 VAL HB 1 1
4 995 1 1 16 VAL HG11 H 0.885 0.833 -5.133 1.00 . A A . 16 VAL HG11 1 1
4 996 1 1 16 VAL HG12 H 1.621 2.375 -4.696 1.00 . A A . 16 VAL HG12 1 1
4 997 1 1 16 VAL HG13 H -0.102 2.292 -5.061 1.00 . A A . 16 VAL HG13 1 1
4 998 1 1 16 VAL HG21 H 1.958 1.284 -1.645 1.00 . A A . 16 VAL HG21 1 1
4 999 1 1 16 VAL HG22 H 1.172 2.863 -1.662 1.00 . A A . 16 VAL HG22 1 1
4 1000 1 1 16 VAL HG23 H 2.342 2.447 -2.914 1.00 . A A . 16 VAL HG23 1 1
4 1001 1 1 16 VAL N N -1.105 1.810 -1.328 1.00 . A A . 16 VAL N 1 1
4 1002 1 1 16 VAL O O -1.887 1.154 -4.694 1.00 . A A . 16 VAL O 1 1
4 1003 1 1 17 LYS C C -4.613 1.664 -5.019 1.00 . A A . 17 LYS C 1 1
4 1004 1 1 17 LYS CA C -4.399 0.965 -3.682 1.00 . A A . 17 LYS CA 1 1
4 1005 1 1 17 LYS CB C -5.579 1.221 -2.744 1.00 . A A . 17 LYS CB 1 1
4 1006 1 1 17 LYS CD C -7.995 1.363 -3.366 1.00 . A A . 17 LYS CD 1 1
4 1007 1 1 17 LYS CE C -9.254 0.541 -3.654 1.00 . A A . 17 LYS CE 1 1
4 1008 1 1 17 LYS CG C -6.795 0.425 -3.222 1.00 . A A . 17 LYS CG 1 1
4 1009 1 1 17 LYS H H -3.317 1.867 -2.064 1.00 . A A . 17 LYS H 1 1
4 1010 1 1 17 LYS HA H -4.262 -0.078 -3.825 1.00 . A A . 17 LYS HA 1 1
4 1011 1 1 17 LYS HB2 H -5.316 0.912 -1.743 1.00 . A A . 17 LYS HB2 1 1
4 1012 1 1 17 LYS HB3 H -5.818 2.274 -2.746 1.00 . A A . 17 LYS HB3 1 1
4 1013 1 1 17 LYS HD2 H -8.129 1.919 -2.449 1.00 . A A . 17 LYS HD2 1 1
4 1014 1 1 17 LYS HD3 H -7.821 2.048 -4.182 1.00 . A A . 17 LYS HD3 1 1
4 1015 1 1 17 LYS HE2 H -9.195 -0.419 -3.160 1.00 . A A . 17 LYS HE2 1 1
4 1016 1 1 17 LYS HE3 H -10.135 1.076 -3.335 1.00 . A A . 17 LYS HE3 1 1
4 1017 1 1 17 LYS HG2 H -6.575 -0.030 -4.178 1.00 . A A . 17 LYS HG2 1 1
4 1018 1 1 17 LYS HG3 H -7.027 -0.345 -2.501 1.00 . A A . 17 LYS HG3 1 1
4 1019 1 1 17 LYS HZ1 H -9.722 -0.535 -5.372 1.00 . A A . 17 LYS HZ1 1 1
4 1020 1 1 17 LYS HZ2 H -8.290 0.372 -5.490 1.00 . A A . 17 LYS HZ2 1 1
4 1021 1 1 17 LYS HZ3 H -9.800 1.148 -5.568 1.00 . A A . 17 LYS HZ3 1 1
4 1022 1 1 17 LYS N N -3.218 1.534 -2.977 1.00 . A A . 17 LYS N 1 1
4 1023 1 1 17 LYS NZ N -9.268 0.369 -5.133 1.00 . A A . 17 LYS NZ 1 1
4 1024 1 1 17 LYS O O -5.312 1.183 -5.889 1.00 . A A . 17 LYS O 1 1
4 1025 1 1 18 LYS C C -3.790 2.676 -7.640 1.00 . A A . 18 LYS C 1 1
4 1026 1 1 18 LYS CA C -4.155 3.561 -6.445 1.00 . A A . 18 LYS CA 1 1
4 1027 1 1 18 LYS CB C -3.171 4.726 -6.318 1.00 . A A . 18 LYS CB 1 1
4 1028 1 1 18 LYS CD C -2.901 6.980 -5.270 1.00 . A A . 18 LYS CD 1 1
4 1029 1 1 18 LYS CE C -3.534 7.756 -6.427 1.00 . A A . 18 LYS CE 1 1
4 1030 1 1 18 LYS CG C -3.578 5.614 -5.139 1.00 . A A . 18 LYS CG 1 1
4 1031 1 1 18 LYS H H -3.463 3.138 -4.448 1.00 . A A . 18 LYS H 1 1
4 1032 1 1 18 LYS HA H -5.160 3.937 -6.547 1.00 . A A . 18 LYS HA 1 1
4 1033 1 1 18 LYS HB2 H -2.176 4.339 -6.152 1.00 . A A . 18 LYS HB2 1 1
4 1034 1 1 18 LYS HB3 H -3.185 5.308 -7.226 1.00 . A A . 18 LYS HB3 1 1
4 1035 1 1 18 LYS HD2 H -3.029 7.534 -4.350 1.00 . A A . 18 LYS HD2 1 1
4 1036 1 1 18 LYS HD3 H -1.848 6.843 -5.464 1.00 . A A . 18 LYS HD3 1 1
4 1037 1 1 18 LYS HE2 H -2.902 7.704 -7.303 1.00 . A A . 18 LYS HE2 1 1
4 1038 1 1 18 LYS HE3 H -4.517 7.371 -6.646 1.00 . A A . 18 LYS HE3 1 1
4 1039 1 1 18 LYS HG2 H -4.651 5.741 -5.138 1.00 . A A . 18 LYS HG2 1 1
4 1040 1 1 18 LYS HG3 H -3.270 5.149 -4.215 1.00 . A A . 18 LYS HG3 1 1
4 1041 1 1 18 LYS HZ1 H -4.434 9.243 -5.280 1.00 . A A . 18 LYS HZ1 1 1
4 1042 1 1 18 LYS HZ2 H -3.782 9.798 -6.747 1.00 . A A . 18 LYS HZ2 1 1
4 1043 1 1 18 LYS HZ3 H -2.756 9.420 -5.447 1.00 . A A . 18 LYS HZ3 1 1
4 1044 1 1 18 LYS N N -4.012 2.794 -5.174 1.00 . A A . 18 LYS N 1 1
4 1045 1 1 18 LYS NZ N -3.634 9.160 -5.938 1.00 . A A . 18 LYS NZ 1 1
4 1046 1 1 18 LYS O O -2.640 2.708 -8.046 1.00 . A A . 18 LYS O 1 1
4 1047 1 1 18 LYS OXT O -4.667 1.983 -8.129 1.00 . A A . 18 LYS OXT 1 1
4 1048 2 2 1 HG HG HG 1.577 -4.433 0.219 1.00 . B A . 20 HG HG 1 1
5 1049 1 1 1 THR C C 6.280 3.685 -4.152 1.00 . A A . 1 THR C 1 1
5 1050 1 1 1 THR CA C 5.793 3.680 -5.602 1.00 . A A . 1 THR CA 1 1
5 1051 1 1 1 THR CB C 6.791 2.950 -6.501 1.00 . A A . 1 THR CB 1 1
5 1052 1 1 1 THR CG2 C 7.022 1.536 -5.965 1.00 . A A . 1 THR CG2 1 1
5 1053 1 1 1 THR H1 H 6.703 5.472 -6.149 1.00 . A A . 1 THR H1 1 1
5 1054 1 1 1 THR H2 H 5.135 5.655 -5.521 1.00 . A A . 1 THR H2 1 1
5 1055 1 1 1 THR H3 H 5.358 5.063 -7.098 1.00 . A A . 1 THR H3 1 1
5 1056 1 1 1 THR HA H 4.823 3.214 -5.674 1.00 . A A . 1 THR HA 1 1
5 1057 1 1 1 THR HB H 7.728 3.485 -6.509 1.00 . A A . 1 THR HB 1 1
5 1058 1 1 1 THR HG1 H 6.925 2.441 -8.372 1.00 . A A . 1 THR HG1 1 1
5 1059 1 1 1 THR HG21 H 6.641 1.466 -4.958 1.00 . A A . 1 THR HG21 1 1
5 1060 1 1 1 THR HG22 H 8.081 1.320 -5.966 1.00 . A A . 1 THR HG22 1 1
5 1061 1 1 1 THR HG23 H 6.510 0.825 -6.595 1.00 . A A . 1 THR HG23 1 1
5 1062 1 1 1 THR N N 5.743 5.073 -6.133 1.00 . A A . 1 THR N 1 1
5 1063 1 1 1 THR O O 7.431 3.414 -3.873 1.00 . A A . 1 THR O 1 1
5 1064 1 1 1 THR OG1 O 6.273 2.880 -7.821 1.00 . A A . 1 THR OG1 1 1
5 1065 1 1 2 LEU C C 5.548 2.656 -1.144 1.00 . A A . 2 LEU C 1 1
5 1066 1 1 2 LEU CA C 5.826 4.013 -1.794 1.00 . A A . 2 LEU CA 1 1
5 1067 1 1 2 LEU CB C 4.967 5.101 -1.151 1.00 . A A . 2 LEU CB 1 1
5 1068 1 1 2 LEU CD1 C 4.473 7.551 -1.126 1.00 . A A . 2 LEU CD1 1 1
5 1069 1 1 2 LEU CD2 C 6.716 6.736 -1.865 1.00 . A A . 2 LEU CD2 1 1
5 1070 1 1 2 LEU CG C 5.215 6.433 -1.861 1.00 . A A . 2 LEU CG 1 1
5 1071 1 1 2 LEU H H 4.489 4.208 -3.473 1.00 . A A . 2 LEU H 1 1
5 1072 1 1 2 LEU HA H 6.871 4.268 -1.706 1.00 . A A . 2 LEU HA 1 1
5 1073 1 1 2 LEU HB2 H 3.924 4.834 -1.238 1.00 . A A . 2 LEU HB2 1 1
5 1074 1 1 2 LEU HB3 H 5.229 5.197 -0.108 1.00 . A A . 2 LEU HB3 1 1
5 1075 1 1 2 LEU HD11 H 3.409 7.372 -1.179 1.00 . A A . 2 LEU HD11 1 1
5 1076 1 1 2 LEU HD12 H 4.701 8.499 -1.589 1.00 . A A . 2 LEU HD12 1 1
5 1077 1 1 2 LEU HD13 H 4.783 7.571 -0.092 1.00 . A A . 2 LEU HD13 1 1
5 1078 1 1 2 LEU HD21 H 7.199 6.150 -2.633 1.00 . A A . 2 LEU HD21 1 1
5 1079 1 1 2 LEU HD22 H 7.137 6.486 -0.903 1.00 . A A . 2 LEU HD22 1 1
5 1080 1 1 2 LEU HD23 H 6.871 7.786 -2.064 1.00 . A A . 2 LEU HD23 1 1
5 1081 1 1 2 LEU HG H 4.856 6.371 -2.878 1.00 . A A . 2 LEU HG 1 1
5 1082 1 1 2 LEU N N 5.413 3.992 -3.227 1.00 . A A . 2 LEU N 1 1
5 1083 1 1 2 LEU O O 4.656 2.518 -0.331 1.00 . A A . 2 LEU O 1 1
5 1084 1 1 3 ALA C C 6.778 0.209 0.459 1.00 . A A . 3 ALA C 1 1
5 1085 1 1 3 ALA CA C 6.079 0.307 -0.899 1.00 . A A . 3 ALA CA 1 1
5 1086 1 1 3 ALA CB C 6.695 -0.678 -1.892 1.00 . A A . 3 ALA CB 1 1
5 1087 1 1 3 ALA H H 7.018 1.784 -2.156 1.00 . A A . 3 ALA H 1 1
5 1088 1 1 3 ALA HA H 5.024 0.112 -0.794 1.00 . A A . 3 ALA HA 1 1
5 1089 1 1 3 ALA HB1 H 7.606 -0.262 -2.295 1.00 . A A . 3 ALA HB1 1 1
5 1090 1 1 3 ALA HB2 H 5.997 -0.862 -2.695 1.00 . A A . 3 ALA HB2 1 1
5 1091 1 1 3 ALA HB3 H 6.916 -1.607 -1.387 1.00 . A A . 3 ALA HB3 1 1
5 1092 1 1 3 ALA N N 6.304 1.653 -1.497 1.00 . A A . 3 ALA N 1 1
5 1093 1 1 3 ALA O O 7.984 0.090 0.542 1.00 . A A . 3 ALA O 1 1
5 1094 1 1 4 VAL C C 5.969 -0.949 3.679 1.00 . A A . 4 VAL C 1 1
5 1095 1 1 4 VAL CA C 6.641 0.170 2.878 1.00 . A A . 4 VAL CA 1 1
5 1096 1 1 4 VAL CB C 6.372 1.533 3.518 1.00 . A A . 4 VAL CB 1 1
5 1097 1 1 4 VAL CG1 C 6.916 2.638 2.611 1.00 . A A . 4 VAL CG1 1 1
5 1098 1 1 4 VAL CG2 C 4.864 1.720 3.697 1.00 . A A . 4 VAL CG2 1 1
5 1099 1 1 4 VAL H H 5.053 0.355 1.433 1.00 . A A . 4 VAL H 1 1
5 1100 1 1 4 VAL HA H 7.703 -0.002 2.802 1.00 . A A . 4 VAL HA 1 1
5 1101 1 1 4 VAL HB H 6.860 1.584 4.479 1.00 . A A . 4 VAL HB 1 1
5 1102 1 1 4 VAL HG11 H 7.960 2.804 2.832 1.00 . A A . 4 VAL HG11 1 1
5 1103 1 1 4 VAL HG12 H 6.363 3.549 2.783 1.00 . A A . 4 VAL HG12 1 1
5 1104 1 1 4 VAL HG13 H 6.810 2.341 1.578 1.00 . A A . 4 VAL HG13 1 1
5 1105 1 1 4 VAL HG21 H 4.599 2.743 3.475 1.00 . A A . 4 VAL HG21 1 1
5 1106 1 1 4 VAL HG22 H 4.592 1.490 4.716 1.00 . A A . 4 VAL HG22 1 1
5 1107 1 1 4 VAL HG23 H 4.337 1.058 3.025 1.00 . A A . 4 VAL HG23 1 1
5 1108 1 1 4 VAL N N 6.026 0.259 1.524 1.00 . A A . 4 VAL N 1 1
5 1109 1 1 4 VAL O O 4.916 -1.428 3.308 1.00 . A A . 4 VAL O 1 1
5 1110 1 1 5 PRO C C 4.786 -1.903 6.329 1.00 . A A . 5 PRO C 1 1
5 1111 1 1 5 PRO CA C 6.048 -2.400 5.621 1.00 . A A . 5 PRO CA 1 1
5 1112 1 1 5 PRO CB C 7.172 -2.674 6.617 1.00 . A A . 5 PRO CB 1 1
5 1113 1 1 5 PRO CD C 7.866 -0.801 5.277 1.00 . A A . 5 PRO CD 1 1
5 1114 1 1 5 PRO CG C 7.966 -1.409 6.651 1.00 . A A . 5 PRO CG 1 1
5 1115 1 1 5 PRO HA H 5.839 -3.286 5.043 1.00 . A A . 5 PRO HA 1 1
5 1116 1 1 5 PRO HB2 H 6.762 -2.893 7.595 1.00 . A A . 5 PRO HB2 1 1
5 1117 1 1 5 PRO HB3 H 7.789 -3.490 6.275 1.00 . A A . 5 PRO HB3 1 1
5 1118 1 1 5 PRO HD2 H 7.837 0.278 5.343 1.00 . A A . 5 PRO HD2 1 1
5 1119 1 1 5 PRO HD3 H 8.686 -1.124 4.655 1.00 . A A . 5 PRO HD3 1 1
5 1120 1 1 5 PRO HG2 H 7.554 -0.735 7.390 1.00 . A A . 5 PRO HG2 1 1
5 1121 1 1 5 PRO HG3 H 8.998 -1.625 6.880 1.00 . A A . 5 PRO HG3 1 1
5 1122 1 1 5 PRO N N 6.599 -1.327 4.758 1.00 . A A . 5 PRO N 1 1
5 1123 1 1 5 PRO O O 4.761 -1.728 7.531 1.00 . A A . 5 PRO O 1 1
5 1124 1 1 6 GLY C C 1.592 -0.565 5.119 1.00 . A A . 6 GLY C 1 1
5 1125 1 1 6 GLY CA C 2.476 -1.181 6.203 1.00 . A A . 6 GLY CA 1 1
5 1126 1 1 6 GLY H H 3.785 -1.817 4.618 1.00 . A A . 6 GLY H 1 1
5 1127 1 1 6 GLY HA2 H 1.958 -2.008 6.669 1.00 . A A . 6 GLY HA2 1 1
5 1128 1 1 6 GLY HA3 H 2.705 -0.433 6.946 1.00 . A A . 6 GLY HA3 1 1
5 1129 1 1 6 GLY N N 3.739 -1.671 5.586 1.00 . A A . 6 GLY N 1 1
5 1130 1 1 6 GLY O O 0.383 -0.516 5.241 1.00 . A A . 6 GLY O 1 1
5 1131 1 1 7 MET C C 1.723 -0.121 1.618 1.00 . A A . 7 MET C 1 1
5 1132 1 1 7 MET CA C 1.381 0.525 2.965 1.00 . A A . 7 MET CA 1 1
5 1133 1 1 7 MET CB C 1.774 2.003 2.970 1.00 . A A . 7 MET CB 1 1
5 1134 1 1 7 MET CE C 0.673 4.935 5.225 1.00 . A A . 7 MET CE 1 1
5 1135 1 1 7 MET CG C 1.667 2.551 4.395 1.00 . A A . 7 MET CG 1 1
5 1136 1 1 7 MET H H 3.162 -0.139 3.982 1.00 . A A . 7 MET H 1 1
5 1137 1 1 7 MET HA H 0.329 0.424 3.172 1.00 . A A . 7 MET HA 1 1
5 1138 1 1 7 MET HB2 H 2.790 2.108 2.617 1.00 . A A . 7 MET HB2 1 1
5 1139 1 1 7 MET HB3 H 1.108 2.555 2.324 1.00 . A A . 7 MET HB3 1 1
5 1140 1 1 7 MET HE1 H 0.837 4.974 6.293 1.00 . A A . 7 MET HE1 1 1
5 1141 1 1 7 MET HE2 H -0.163 4.287 5.015 1.00 . A A . 7 MET HE2 1 1
5 1142 1 1 7 MET HE3 H 0.460 5.927 4.851 1.00 . A A . 7 MET HE3 1 1
5 1143 1 1 7 MET HG2 H 0.648 2.461 4.740 1.00 . A A . 7 MET HG2 1 1
5 1144 1 1 7 MET HG3 H 2.318 1.988 5.047 1.00 . A A . 7 MET HG3 1 1
5 1145 1 1 7 MET N N 2.186 -0.091 4.058 1.00 . A A . 7 MET N 1 1
5 1146 1 1 7 MET O O 2.853 -0.090 1.171 1.00 . A A . 7 MET O 1 1
5 1147 1 1 7 MET SD S 2.157 4.294 4.411 1.00 . A A . 7 MET SD 1 1
5 1148 1 1 8 THR C C 2.148 -2.359 -0.251 1.00 . A A . 8 THR C 1 1
5 1149 1 1 8 THR CA C 1.009 -1.341 -0.355 1.00 . A A . 8 THR CA 1 1
5 1150 1 1 8 THR CB C 1.405 -0.189 -1.281 1.00 . A A . 8 THR CB 1 1
5 1151 1 1 8 THR CG2 C 1.629 -0.723 -2.696 1.00 . A A . 8 THR CG2 1 1
5 1152 1 1 8 THR H H -0.153 -0.707 1.344 1.00 . A A . 8 THR H 1 1
5 1153 1 1 8 THR HA H 0.113 -1.816 -0.724 1.00 . A A . 8 THR HA 1 1
5 1154 1 1 8 THR HB H 2.316 0.263 -0.923 1.00 . A A . 8 THR HB 1 1
5 1155 1 1 8 THR HG1 H 0.746 1.626 -1.039 1.00 . A A . 8 THR HG1 1 1
5 1156 1 1 8 THR HG21 H 1.694 -1.801 -2.669 1.00 . A A . 8 THR HG21 1 1
5 1157 1 1 8 THR HG22 H 2.547 -0.316 -3.093 1.00 . A A . 8 THR HG22 1 1
5 1158 1 1 8 THR HG23 H 0.803 -0.429 -3.327 1.00 . A A . 8 THR HG23 1 1
5 1159 1 1 8 THR N N 0.751 -0.699 0.966 1.00 . A A . 8 THR N 1 1
5 1160 1 1 8 THR O O 3.268 -2.091 -0.640 1.00 . A A . 8 THR O 1 1
5 1161 1 1 8 THR OG1 O 0.367 0.782 -1.296 1.00 . A A . 8 THR OG1 1 1
5 1162 1 1 9 CYS C C 2.359 -5.962 0.349 1.00 . A A . 9 CYS C 1 1
5 1163 1 1 9 CYS CA C 2.948 -4.557 0.377 1.00 . A A . 9 CYS CA 1 1
5 1164 1 1 9 CYS CB C 3.633 -4.284 1.715 1.00 . A A . 9 CYS CB 1 1
5 1165 1 1 9 CYS H H 0.965 -3.730 0.566 1.00 . A A . 9 CYS H 1 1
5 1166 1 1 9 CYS HA H 3.650 -4.446 -0.412 1.00 . A A . 9 CYS HA 1 1
5 1167 1 1 9 CYS HB2 H 4.327 -5.077 1.916 1.00 . A A . 9 CYS HB2 1 1
5 1168 1 1 9 CYS HB3 H 4.163 -3.345 1.664 1.00 . A A . 9 CYS HB3 1 1
5 1169 1 1 9 CYS N N 1.874 -3.528 0.262 1.00 . A A . 9 CYS N 1 1
5 1170 1 1 9 CYS O O 2.499 -6.711 1.292 1.00 . A A . 9 CYS O 1 1
5 1171 1 1 9 CYS SG S 2.422 -4.222 3.056 1.00 . A A . 9 CYS SG 1 1
5 1172 1 1 10 ALA C C 0.375 -7.901 0.584 1.00 . A A . 10 ALA C 1 1
5 1173 1 1 10 ALA CA C 1.074 -7.692 -0.753 1.00 . A A . 10 ALA CA 1 1
5 1174 1 1 10 ALA CB C 2.245 -8.662 -0.921 1.00 . A A . 10 ALA CB 1 1
5 1175 1 1 10 ALA H H 1.570 -5.714 -1.470 1.00 . A A . 10 ALA H 1 1
5 1176 1 1 10 ALA HA H 0.378 -7.782 -1.574 1.00 . A A . 10 ALA HA 1 1
5 1177 1 1 10 ALA HB1 H 2.105 -9.511 -0.269 1.00 . A A . 10 ALA HB1 1 1
5 1178 1 1 10 ALA HB2 H 3.167 -8.160 -0.668 1.00 . A A . 10 ALA HB2 1 1
5 1179 1 1 10 ALA HB3 H 2.289 -8.998 -1.946 1.00 . A A . 10 ALA HB3 1 1
5 1180 1 1 10 ALA N N 1.686 -6.331 -0.717 1.00 . A A . 10 ALA N 1 1
5 1181 1 1 10 ALA O O 0.247 -9.000 1.089 1.00 . A A . 10 ALA O 1 1
5 1182 1 1 11 ALA C C -1.874 -5.868 2.486 1.00 . A A . 11 ALA C 1 1
5 1183 1 1 11 ALA CA C -0.695 -6.839 2.487 1.00 . A A . 11 ALA CA 1 1
5 1184 1 1 11 ALA CB C 0.397 -6.351 3.434 1.00 . A A . 11 ALA CB 1 1
5 1185 1 1 11 ALA H H 0.109 -5.952 0.731 1.00 . A A . 11 ALA H 1 1
5 1186 1 1 11 ALA HA H -1.007 -7.837 2.750 1.00 . A A . 11 ALA HA 1 1
5 1187 1 1 11 ALA HB1 H 1.361 -6.485 2.966 1.00 . A A . 11 ALA HB1 1 1
5 1188 1 1 11 ALA HB2 H 0.364 -6.913 4.350 1.00 . A A . 11 ALA HB2 1 1
5 1189 1 1 11 ALA HB3 H 0.247 -5.302 3.643 1.00 . A A . 11 ALA HB3 1 1
5 1190 1 1 11 ALA N N -0.038 -6.811 1.166 1.00 . A A . 11 ALA N 1 1
5 1191 1 1 11 ALA O O -2.996 -6.238 2.769 1.00 . A A . 11 ALA O 1 1
5 1192 1 1 12 CYS C C -2.707 -2.685 0.957 1.00 . A A . 12 CYS C 1 1
5 1193 1 1 12 CYS CA C -2.760 -3.641 2.149 1.00 . A A . 12 CYS CA 1 1
5 1194 1 1 12 CYS CB C -2.646 -2.873 3.468 1.00 . A A . 12 CYS CB 1 1
5 1195 1 1 12 CYS H H -0.713 -4.336 1.936 1.00 . A A . 12 CYS H 1 1
5 1196 1 1 12 CYS HA H -3.706 -4.164 2.116 1.00 . A A . 12 CYS HA 1 1
5 1197 1 1 12 CYS HB2 H -3.585 -2.385 3.681 1.00 . A A . 12 CYS HB2 1 1
5 1198 1 1 12 CYS HB3 H -2.412 -3.564 4.266 1.00 . A A . 12 CYS HB3 1 1
5 1199 1 1 12 CYS N N -1.631 -4.621 2.164 1.00 . A A . 12 CYS N 1 1
5 1200 1 1 12 CYS O O -3.184 -1.572 1.056 1.00 . A A . 12 CYS O 1 1
5 1201 1 1 12 CYS SG S -1.335 -1.629 3.347 1.00 . A A . 12 CYS SG 1 1
5 1202 1 1 13 PRO C C -3.707 -2.152 -1.731 1.00 . A A . 13 PRO C 1 1
5 1203 1 1 13 PRO CA C -2.235 -2.297 -1.354 1.00 . A A . 13 PRO CA 1 1
5 1204 1 1 13 PRO CB C -1.452 -3.101 -2.391 1.00 . A A . 13 PRO CB 1 1
5 1205 1 1 13 PRO CD C -1.619 -4.461 -0.426 1.00 . A A . 13 PRO CD 1 1
5 1206 1 1 13 PRO CG C -1.575 -4.516 -1.930 1.00 . A A . 13 PRO CG 1 1
5 1207 1 1 13 PRO HA H -1.773 -1.340 -1.167 1.00 . A A . 13 PRO HA 1 1
5 1208 1 1 13 PRO HB2 H -1.893 -2.980 -3.372 1.00 . A A . 13 PRO HB2 1 1
5 1209 1 1 13 PRO HB3 H -0.416 -2.803 -2.400 1.00 . A A . 13 PRO HB3 1 1
5 1210 1 1 13 PRO HD2 H -2.238 -5.255 -0.033 1.00 . A A . 13 PRO HD2 1 1
5 1211 1 1 13 PRO HD3 H -0.626 -4.506 -0.016 1.00 . A A . 13 PRO HD3 1 1
5 1212 1 1 13 PRO HG2 H -2.484 -4.954 -2.317 1.00 . A A . 13 PRO HG2 1 1
5 1213 1 1 13 PRO HG3 H -0.718 -5.088 -2.249 1.00 . A A . 13 PRO HG3 1 1
5 1214 1 1 13 PRO N N -2.214 -3.149 -0.158 1.00 . A A . 13 PRO N 1 1
5 1215 1 1 13 PRO O O -4.102 -1.279 -2.478 1.00 . A A . 13 PRO O 1 1
5 1216 1 1 14 ILE C C -6.680 -2.130 -0.390 1.00 . A A . 14 ILE C 1 1
5 1217 1 1 14 ILE CA C -5.979 -2.985 -1.436 1.00 . A A . 14 ILE CA 1 1
5 1218 1 1 14 ILE CB C -6.444 -4.440 -1.360 1.00 . A A . 14 ILE CB 1 1
5 1219 1 1 14 ILE CD1 C -8.428 -4.014 -2.817 1.00 . A A . 14 ILE CD1 1 1
5 1220 1 1 14 ILE CG1 C -7.972 -4.487 -1.435 1.00 . A A . 14 ILE CG1 1 1
5 1221 1 1 14 ILE CG2 C -5.976 -5.063 -0.043 1.00 . A A . 14 ILE CG2 1 1
5 1222 1 1 14 ILE H H -4.167 -3.699 -0.572 1.00 . A A . 14 ILE H 1 1
5 1223 1 1 14 ILE HA H -6.155 -2.595 -2.394 1.00 . A A . 14 ILE HA 1 1
5 1224 1 1 14 ILE HB H -6.025 -4.994 -2.188 1.00 . A A . 14 ILE HB 1 1
5 1225 1 1 14 ILE HD11 H -9.323 -3.419 -2.718 1.00 . A A . 14 ILE HD11 1 1
5 1226 1 1 14 ILE HD12 H -8.633 -4.871 -3.442 1.00 . A A . 14 ILE HD12 1 1
5 1227 1 1 14 ILE HD13 H -7.648 -3.418 -3.269 1.00 . A A . 14 ILE HD13 1 1
5 1228 1 1 14 ILE HG12 H -8.310 -5.500 -1.271 1.00 . A A . 14 ILE HG12 1 1
5 1229 1 1 14 ILE HG13 H -8.390 -3.839 -0.680 1.00 . A A . 14 ILE HG13 1 1
5 1230 1 1 14 ILE HG21 H -6.795 -5.599 0.414 1.00 . A A . 14 ILE HG21 1 1
5 1231 1 1 14 ILE HG22 H -5.638 -4.285 0.625 1.00 . A A . 14 ILE HG22 1 1
5 1232 1 1 14 ILE HG23 H -5.163 -5.748 -0.237 1.00 . A A . 14 ILE HG23 1 1
5 1233 1 1 14 ILE N N -4.522 -3.023 -1.176 1.00 . A A . 14 ILE N 1 1
5 1234 1 1 14 ILE O O -7.747 -1.594 -0.612 1.00 . A A . 14 ILE O 1 1
5 1235 1 1 15 THR C C -6.177 0.261 1.663 1.00 . A A . 15 THR C 1 1
5 1236 1 1 15 THR CA C -6.668 -1.176 1.827 1.00 . A A . 15 THR CA 1 1
5 1237 1 1 15 THR CB C -6.132 -1.849 3.092 1.00 . A A . 15 THR CB 1 1
5 1238 1 1 15 THR CG2 C -5.612 -0.815 4.097 1.00 . A A . 15 THR CG2 1 1
5 1239 1 1 15 THR H H -5.210 -2.435 0.886 1.00 . A A . 15 THR H 1 1
5 1240 1 1 15 THR HA H -7.744 -1.221 1.799 1.00 . A A . 15 THR HA 1 1
5 1241 1 1 15 THR HB H -5.323 -2.509 2.803 1.00 . A A . 15 THR HB 1 1
5 1242 1 1 15 THR HG1 H -7.823 -2.813 3.019 1.00 . A A . 15 THR HG1 1 1
5 1243 1 1 15 THR HG21 H -5.457 -1.290 5.055 1.00 . A A . 15 THR HG21 1 1
5 1244 1 1 15 THR HG22 H -6.336 -0.020 4.203 1.00 . A A . 15 THR HG22 1 1
5 1245 1 1 15 THR HG23 H -4.678 -0.405 3.743 1.00 . A A . 15 THR HG23 1 1
5 1246 1 1 15 THR N N -6.075 -1.997 0.744 1.00 . A A . 15 THR N 1 1
5 1247 1 1 15 THR O O -6.947 1.172 1.434 1.00 . A A . 15 THR O 1 1
5 1248 1 1 15 THR OG1 O -7.170 -2.612 3.694 1.00 . A A . 15 THR OG1 1 1
5 1249 1 1 16 VAL C C -4.029 1.991 0.045 1.00 . A A . 16 VAL C 1 1
5 1250 1 1 16 VAL CA C -4.336 1.818 1.533 1.00 . A A . 16 VAL CA 1 1
5 1251 1 1 16 VAL CB C -3.053 1.859 2.363 1.00 . A A . 16 VAL CB 1 1
5 1252 1 1 16 VAL CG1 C -2.292 3.152 2.064 1.00 . A A . 16 VAL CG1 1 1
5 1253 1 1 16 VAL CG2 C -3.409 1.813 3.851 1.00 . A A . 16 VAL CG2 1 1
5 1254 1 1 16 VAL H H -4.289 -0.301 1.886 1.00 . A A . 16 VAL H 1 1
5 1255 1 1 16 VAL HA H -5.031 2.570 1.872 1.00 . A A . 16 VAL HA 1 1
5 1256 1 1 16 VAL HB H -2.434 1.010 2.112 1.00 . A A . 16 VAL HB 1 1
5 1257 1 1 16 VAL HG11 H -2.911 3.804 1.464 1.00 . A A . 16 VAL HG11 1 1
5 1258 1 1 16 VAL HG12 H -1.386 2.919 1.524 1.00 . A A . 16 VAL HG12 1 1
5 1259 1 1 16 VAL HG13 H -2.042 3.646 2.991 1.00 . A A . 16 VAL HG13 1 1
5 1260 1 1 16 VAL HG21 H -4.450 1.545 3.964 1.00 . A A . 16 VAL HG21 1 1
5 1261 1 1 16 VAL HG22 H -3.237 2.783 4.293 1.00 . A A . 16 VAL HG22 1 1
5 1262 1 1 16 VAL HG23 H -2.793 1.077 4.347 1.00 . A A . 16 VAL HG23 1 1
5 1263 1 1 16 VAL N N -4.892 0.457 1.734 1.00 . A A . 16 VAL N 1 1
5 1264 1 1 16 VAL O O -3.056 2.610 -0.338 1.00 . A A . 16 VAL O 1 1
5 1265 1 1 17 LYS C C -4.498 2.983 -2.685 1.00 . A A . 17 LYS C 1 1
5 1266 1 1 17 LYS CA C -4.630 1.526 -2.265 1.00 . A A . 17 LYS CA 1 1
5 1267 1 1 17 LYS CB C -5.865 0.887 -2.902 1.00 . A A . 17 LYS CB 1 1
5 1268 1 1 17 LYS CD C -6.868 0.057 -5.035 1.00 . A A . 17 LYS CD 1 1
5 1269 1 1 17 LYS CE C -6.464 -1.224 -5.768 1.00 . A A . 17 LYS CE 1 1
5 1270 1 1 17 LYS CG C -5.629 0.694 -4.401 1.00 . A A . 17 LYS CG 1 1
5 1271 1 1 17 LYS H H -5.626 0.924 -0.463 1.00 . A A . 17 LYS H 1 1
5 1272 1 1 17 LYS HA H -3.756 0.982 -2.529 1.00 . A A . 17 LYS HA 1 1
5 1273 1 1 17 LYS HB2 H -6.053 -0.071 -2.440 1.00 . A A . 17 LYS HB2 1 1
5 1274 1 1 17 LYS HB3 H -6.719 1.532 -2.754 1.00 . A A . 17 LYS HB3 1 1
5 1275 1 1 17 LYS HD2 H -7.587 -0.179 -4.263 1.00 . A A . 17 LYS HD2 1 1
5 1276 1 1 17 LYS HD3 H -7.309 0.748 -5.738 1.00 . A A . 17 LYS HD3 1 1
5 1277 1 1 17 LYS HE2 H -6.155 -0.995 -6.779 1.00 . A A . 17 LYS HE2 1 1
5 1278 1 1 17 LYS HE3 H -5.672 -1.728 -5.236 1.00 . A A . 17 LYS HE3 1 1
5 1279 1 1 17 LYS HG2 H -5.440 1.653 -4.862 1.00 . A A . 17 LYS HG2 1 1
5 1280 1 1 17 LYS HG3 H -4.778 0.047 -4.551 1.00 . A A . 17 LYS HG3 1 1
5 1281 1 1 17 LYS HZ1 H -7.426 -3.067 -5.669 1.00 . A A . 17 LYS HZ1 1 1
5 1282 1 1 17 LYS HZ2 H -8.196 -1.937 -6.676 1.00 . A A . 17 LYS HZ2 1 1
5 1283 1 1 17 LYS HZ3 H -8.309 -1.790 -4.987 1.00 . A A . 17 LYS HZ3 1 1
5 1284 1 1 17 LYS N N -4.857 1.426 -0.798 1.00 . A A . 17 LYS N 1 1
5 1285 1 1 17 LYS NZ N -7.692 -2.068 -5.776 1.00 . A A . 17 LYS NZ 1 1
5 1286 1 1 17 LYS O O -4.005 3.304 -3.748 1.00 . A A . 17 LYS O 1 1
5 1287 1 1 18 LYS C C -5.227 6.136 -0.914 1.00 . A A . 18 LYS C 1 1
5 1288 1 1 18 LYS CA C -4.864 5.316 -2.156 1.00 . A A . 18 LYS CA 1 1
5 1289 1 1 18 LYS CB C -5.891 5.542 -3.266 1.00 . A A . 18 LYS CB 1 1
5 1290 1 1 18 LYS CD C -5.109 7.200 -4.964 1.00 . A A . 18 LYS CD 1 1
5 1291 1 1 18 LYS CE C -4.266 7.945 -3.926 1.00 . A A . 18 LYS CE 1 1
5 1292 1 1 18 LYS CG C -5.169 5.714 -4.603 1.00 . A A . 18 LYS CG 1 1
5 1293 1 1 18 LYS H H -5.329 3.552 -1.009 1.00 . A A . 18 LYS H 1 1
5 1294 1 1 18 LYS HA H -3.878 5.576 -2.506 1.00 . A A . 18 LYS HA 1 1
5 1295 1 1 18 LYS HB2 H -6.553 4.690 -3.321 1.00 . A A . 18 LYS HB2 1 1
5 1296 1 1 18 LYS HB3 H -6.465 6.431 -3.051 1.00 . A A . 18 LYS HB3 1 1
5 1297 1 1 18 LYS HD2 H -4.663 7.315 -5.941 1.00 . A A . 18 LYS HD2 1 1
5 1298 1 1 18 LYS HD3 H -6.108 7.609 -4.974 1.00 . A A . 18 LYS HD3 1 1
5 1299 1 1 18 LYS HE2 H -4.882 8.243 -3.088 1.00 . A A . 18 LYS HE2 1 1
5 1300 1 1 18 LYS HE3 H -3.448 7.327 -3.592 1.00 . A A . 18 LYS HE3 1 1
5 1301 1 1 18 LYS HG2 H -4.165 5.322 -4.523 1.00 . A A . 18 LYS HG2 1 1
5 1302 1 1 18 LYS HG3 H -5.704 5.181 -5.374 1.00 . A A . 18 LYS HG3 1 1
5 1303 1 1 18 LYS HZ1 H -4.533 9.657 -5.080 1.00 . A A . 18 LYS HZ1 1 1
5 1304 1 1 18 LYS HZ2 H -3.074 8.839 -5.379 1.00 . A A . 18 LYS HZ2 1 1
5 1305 1 1 18 LYS HZ3 H -3.258 9.766 -3.966 1.00 . A A . 18 LYS HZ3 1 1
5 1306 1 1 18 LYS N N -4.942 3.859 -1.848 1.00 . A A . 18 LYS N 1 1
5 1307 1 1 18 LYS NZ N -3.744 9.142 -4.642 1.00 . A A . 18 LYS NZ 1 1
5 1308 1 1 18 LYS O O -4.823 7.286 -0.849 1.00 . A A . 18 LYS O 1 1
5 1309 1 1 18 LYS OXT O -5.902 5.600 -0.051 1.00 . A A . 18 LYS OXT 1 1
5 1310 2 2 1 HG HG HG 0.658 -2.723 2.846 1.00 . B A . 20 HG HG 1 1
6 1311 1 1 1 THR C C 8.668 0.336 8.151 1.00 . A A . 1 THR C 1 1
6 1312 1 1 1 THR CA C 8.240 -0.968 8.831 1.00 . A A . 1 THR CA 1 1
6 1313 1 1 1 THR CB C 8.730 -1.000 10.280 1.00 . A A . 1 THR CB 1 1
6 1314 1 1 1 THR CG2 C 7.676 -1.668 11.165 1.00 . A A . 1 THR CG2 1 1
6 1315 1 1 1 THR H1 H 8.732 -2.092 7.146 1.00 . A A . 1 THR H1 1 1
6 1316 1 1 1 THR H2 H 8.494 -3.017 8.551 1.00 . A A . 1 THR H2 1 1
6 1317 1 1 1 THR H3 H 9.918 -2.111 8.359 1.00 . A A . 1 THR H3 1 1
6 1318 1 1 1 THR HA H 7.167 -1.073 8.802 1.00 . A A . 1 THR HA 1 1
6 1319 1 1 1 THR HB H 8.897 0.008 10.626 1.00 . A A . 1 THR HB 1 1
6 1320 1 1 1 THR HG1 H 10.646 -1.181 9.994 1.00 . A A . 1 THR HG1 1 1
6 1321 1 1 1 THR HG21 H 7.062 -0.910 11.628 1.00 . A A . 1 THR HG21 1 1
6 1322 1 1 1 THR HG22 H 8.167 -2.251 11.930 1.00 . A A . 1 THR HG22 1 1
6 1323 1 1 1 THR HG23 H 7.057 -2.314 10.561 1.00 . A A . 1 THR HG23 1 1
6 1324 1 1 1 THR N N 8.896 -2.135 8.172 1.00 . A A . 1 THR N 1 1
6 1325 1 1 1 THR O O 9.741 0.432 7.589 1.00 . A A . 1 THR O 1 1
6 1326 1 1 1 THR OG1 O 9.946 -1.733 10.351 1.00 . A A . 1 THR OG1 1 1
6 1327 1 1 2 LEU C C 8.365 2.456 6.049 1.00 . A A . 2 LEU C 1 1
6 1328 1 1 2 LEU CA C 8.198 2.638 7.559 1.00 . A A . 2 LEU CA 1 1
6 1329 1 1 2 LEU CB C 9.527 3.039 8.201 1.00 . A A . 2 LEU CB 1 1
6 1330 1 1 2 LEU CD1 C 10.209 4.545 10.074 1.00 . A A . 2 LEU CD1 1 1
6 1331 1 1 2 LEU CD2 C 9.969 5.458 7.760 1.00 . A A . 2 LEU CD2 1 1
6 1332 1 1 2 LEU CG C 9.411 4.453 8.772 1.00 . A A . 2 LEU CG 1 1
6 1333 1 1 2 LEU H H 6.977 1.244 8.660 1.00 . A A . 2 LEU H 1 1
6 1334 1 1 2 LEU HA H 7.449 3.384 7.769 1.00 . A A . 2 LEU HA 1 1
6 1335 1 1 2 LEU HB2 H 9.766 2.348 8.996 1.00 . A A . 2 LEU HB2 1 1
6 1336 1 1 2 LEU HB3 H 10.308 3.016 7.457 1.00 . A A . 2 LEU HB3 1 1
6 1337 1 1 2 LEU HD11 H 10.159 3.599 10.594 1.00 . A A . 2 LEU HD11 1 1
6 1338 1 1 2 LEU HD12 H 9.791 5.321 10.698 1.00 . A A . 2 LEU HD12 1 1
6 1339 1 1 2 LEU HD13 H 11.239 4.778 9.850 1.00 . A A . 2 LEU HD13 1 1
6 1340 1 1 2 LEU HD21 H 9.280 6.283 7.657 1.00 . A A . 2 LEU HD21 1 1
6 1341 1 1 2 LEU HD22 H 10.096 4.973 6.803 1.00 . A A . 2 LEU HD22 1 1
6 1342 1 1 2 LEU HD23 H 10.923 5.826 8.106 1.00 . A A . 2 LEU HD23 1 1
6 1343 1 1 2 LEU HG H 8.373 4.676 8.970 1.00 . A A . 2 LEU HG 1 1
6 1344 1 1 2 LEU N N 7.837 1.341 8.200 1.00 . A A . 2 LEU N 1 1
6 1345 1 1 2 LEU O O 9.251 1.763 5.591 1.00 . A A . 2 LEU O 1 1
6 1346 1 1 3 ALA C C 7.686 1.455 3.408 1.00 . A A . 3 ALA C 1 1
6 1347 1 1 3 ALA CA C 7.629 2.936 3.793 1.00 . A A . 3 ALA CA 1 1
6 1348 1 1 3 ALA CB C 8.938 3.638 3.426 1.00 . A A . 3 ALA CB 1 1
6 1349 1 1 3 ALA H H 6.811 3.630 5.662 1.00 . A A . 3 ALA H 1 1
6 1350 1 1 3 ALA HA H 6.800 3.422 3.305 1.00 . A A . 3 ALA HA 1 1
6 1351 1 1 3 ALA HB1 H 9.733 2.910 3.369 1.00 . A A . 3 ALA HB1 1 1
6 1352 1 1 3 ALA HB2 H 9.176 4.373 4.181 1.00 . A A . 3 ALA HB2 1 1
6 1353 1 1 3 ALA HB3 H 8.828 4.127 2.470 1.00 . A A . 3 ALA HB3 1 1
6 1354 1 1 3 ALA N N 7.519 3.075 5.272 1.00 . A A . 3 ALA N 1 1
6 1355 1 1 3 ALA O O 8.727 0.932 3.066 1.00 . A A . 3 ALA O 1 1
6 1356 1 1 4 VAL C C 6.448 -0.833 1.584 1.00 . A A . 4 VAL C 1 1
6 1357 1 1 4 VAL CA C 6.565 -0.671 3.103 1.00 . A A . 4 VAL CA 1 1
6 1358 1 1 4 VAL CB C 5.331 -1.249 3.800 1.00 . A A . 4 VAL CB 1 1
6 1359 1 1 4 VAL CG1 C 5.449 -2.773 3.861 1.00 . A A . 4 VAL CG1 1 1
6 1360 1 1 4 VAL CG2 C 5.232 -0.691 5.223 1.00 . A A . 4 VAL CG2 1 1
6 1361 1 1 4 VAL H H 5.743 1.216 3.743 1.00 . A A . 4 VAL H 1 1
6 1362 1 1 4 VAL HA H 7.456 -1.154 3.471 1.00 . A A . 4 VAL HA 1 1
6 1363 1 1 4 VAL HB H 4.445 -0.979 3.242 1.00 . A A . 4 VAL HB 1 1
6 1364 1 1 4 VAL HG11 H 6.319 -3.088 3.305 1.00 . A A . 4 VAL HG11 1 1
6 1365 1 1 4 VAL HG12 H 4.565 -3.220 3.430 1.00 . A A . 4 VAL HG12 1 1
6 1366 1 1 4 VAL HG13 H 5.546 -3.085 4.890 1.00 . A A . 4 VAL HG13 1 1
6 1367 1 1 4 VAL HG21 H 4.766 0.283 5.196 1.00 . A A . 4 VAL HG21 1 1
6 1368 1 1 4 VAL HG22 H 6.222 -0.604 5.645 1.00 . A A . 4 VAL HG22 1 1
6 1369 1 1 4 VAL HG23 H 4.639 -1.358 5.830 1.00 . A A . 4 VAL HG23 1 1
6 1370 1 1 4 VAL N N 6.573 0.776 3.464 1.00 . A A . 4 VAL N 1 1
6 1371 1 1 4 VAL O O 5.519 -0.337 0.979 1.00 . A A . 4 VAL O 1 1
6 1372 1 1 5 PRO C C 6.292 -2.746 -0.832 1.00 . A A . 5 PRO C 1 1
6 1373 1 1 5 PRO CA C 7.400 -1.760 -0.448 1.00 . A A . 5 PRO CA 1 1
6 1374 1 1 5 PRO CB C 8.781 -2.353 -0.715 1.00 . A A . 5 PRO CB 1 1
6 1375 1 1 5 PRO CD C 8.548 -2.157 1.678 1.00 . A A . 5 PRO CD 1 1
6 1376 1 1 5 PRO CG C 9.195 -2.967 0.584 1.00 . A A . 5 PRO CG 1 1
6 1377 1 1 5 PRO HA H 7.287 -0.830 -0.982 1.00 . A A . 5 PRO HA 1 1
6 1378 1 1 5 PRO HB2 H 8.722 -3.107 -1.488 1.00 . A A . 5 PRO HB2 1 1
6 1379 1 1 5 PRO HB3 H 9.477 -1.578 -0.996 1.00 . A A . 5 PRO HB3 1 1
6 1380 1 1 5 PRO HD2 H 8.221 -2.802 2.483 1.00 . A A . 5 PRO HD2 1 1
6 1381 1 1 5 PRO HD3 H 9.226 -1.402 2.045 1.00 . A A . 5 PRO HD3 1 1
6 1382 1 1 5 PRO HG2 H 8.857 -3.993 0.631 1.00 . A A . 5 PRO HG2 1 1
6 1383 1 1 5 PRO HG3 H 10.268 -2.925 0.687 1.00 . A A . 5 PRO HG3 1 1
6 1384 1 1 5 PRO N N 7.399 -1.528 1.017 1.00 . A A . 5 PRO N 1 1
6 1385 1 1 5 PRO O O 6.381 -3.929 -0.570 1.00 . A A . 5 PRO O 1 1
6 1386 1 1 6 GLY C C 2.816 -2.631 -1.283 1.00 . A A . 6 GLY C 1 1
6 1387 1 1 6 GLY CA C 4.132 -3.170 -1.845 1.00 . A A . 6 GLY CA 1 1
6 1388 1 1 6 GLY H H 5.194 -1.307 -1.646 1.00 . A A . 6 GLY H 1 1
6 1389 1 1 6 GLY HA2 H 4.073 -3.216 -2.923 1.00 . A A . 6 GLY HA2 1 1
6 1390 1 1 6 GLY HA3 H 4.310 -4.158 -1.449 1.00 . A A . 6 GLY HA3 1 1
6 1391 1 1 6 GLY N N 5.247 -2.265 -1.447 1.00 . A A . 6 GLY N 1 1
6 1392 1 1 6 GLY O O 1.757 -2.855 -1.834 1.00 . A A . 6 GLY O 1 1
6 1393 1 1 7 MET C C 0.680 -2.511 0.783 1.00 . A A . 7 MET C 1 1
6 1394 1 1 7 MET CA C 1.628 -1.371 0.415 1.00 . A A . 7 MET CA 1 1
6 1395 1 1 7 MET CB C 1.021 -0.481 -0.671 1.00 . A A . 7 MET CB 1 1
6 1396 1 1 7 MET CE C 1.399 2.942 -0.168 1.00 . A A . 7 MET CE 1 1
6 1397 1 1 7 MET CG C 2.077 0.509 -1.162 1.00 . A A . 7 MET CG 1 1
6 1398 1 1 7 MET H H 3.737 -1.761 0.244 1.00 . A A . 7 MET H 1 1
6 1399 1 1 7 MET HA H 1.857 -0.781 1.286 1.00 . A A . 7 MET HA 1 1
6 1400 1 1 7 MET HB2 H 0.687 -1.094 -1.496 1.00 . A A . 7 MET HB2 1 1
6 1401 1 1 7 MET HB3 H 0.183 0.063 -0.263 1.00 . A A . 7 MET HB3 1 1
6 1402 1 1 7 MET HE1 H 0.574 2.554 -0.749 1.00 . A A . 7 MET HE1 1 1
6 1403 1 1 7 MET HE2 H 1.903 3.711 -0.731 1.00 . A A . 7 MET HE2 1 1
6 1404 1 1 7 MET HE3 H 1.029 3.361 0.758 1.00 . A A . 7 MET HE3 1 1
6 1405 1 1 7 MET HG2 H 2.944 -0.032 -1.512 1.00 . A A . 7 MET HG2 1 1
6 1406 1 1 7 MET HG3 H 1.670 1.099 -1.970 1.00 . A A . 7 MET HG3 1 1
6 1407 1 1 7 MET N N 2.874 -1.924 -0.186 1.00 . A A . 7 MET N 1 1
6 1408 1 1 7 MET O O 1.095 -3.531 1.295 1.00 . A A . 7 MET O 1 1
6 1409 1 1 7 MET SD S 2.558 1.601 0.198 1.00 . A A . 7 MET SD 1 1
6 1410 1 1 8 THR C C -1.521 -3.687 2.384 1.00 . A A . 8 THR C 1 1
6 1411 1 1 8 THR CA C -1.557 -3.423 0.877 1.00 . A A . 8 THR CA 1 1
6 1412 1 1 8 THR CB C -1.075 -4.648 0.098 1.00 . A A . 8 THR CB 1 1
6 1413 1 1 8 THR CG2 C -2.120 -5.760 0.190 1.00 . A A . 8 THR CG2 1 1
6 1414 1 1 8 THR H H -0.901 -1.512 0.128 1.00 . A A . 8 THR H 1 1
6 1415 1 1 8 THR HA H -2.552 -3.152 0.562 1.00 . A A . 8 THR HA 1 1
6 1416 1 1 8 THR HB H -0.143 -4.998 0.516 1.00 . A A . 8 THR HB 1 1
6 1417 1 1 8 THR HG1 H -1.740 -4.211 -1.677 1.00 . A A . 8 THR HG1 1 1
6 1418 1 1 8 THR HG21 H -2.705 -5.781 -0.718 1.00 . A A . 8 THR HG21 1 1
6 1419 1 1 8 THR HG22 H -2.770 -5.574 1.033 1.00 . A A . 8 THR HG22 1 1
6 1420 1 1 8 THR HG23 H -1.625 -6.710 0.321 1.00 . A A . 8 THR HG23 1 1
6 1421 1 1 8 THR N N -0.587 -2.345 0.534 1.00 . A A . 8 THR N 1 1
6 1422 1 1 8 THR O O -0.942 -4.651 2.844 1.00 . A A . 8 THR O 1 1
6 1423 1 1 8 THR OG1 O -0.878 -4.291 -1.263 1.00 . A A . 8 THR OG1 1 1
6 1424 1 1 9 CYS C C -3.408 -2.462 5.225 1.00 . A A . 9 CYS C 1 1
6 1425 1 1 9 CYS CA C -2.117 -3.010 4.637 1.00 . A A . 9 CYS CA 1 1
6 1426 1 1 9 CYS CB C -0.931 -2.184 5.172 1.00 . A A . 9 CYS CB 1 1
6 1427 1 1 9 CYS H H -2.579 -2.050 2.759 1.00 . A A . 9 CYS H 1 1
6 1428 1 1 9 CYS HA H -1.994 -4.039 4.895 1.00 . A A . 9 CYS HA 1 1
6 1429 1 1 9 CYS HB2 H -1.297 -1.236 5.535 1.00 . A A . 9 CYS HB2 1 1
6 1430 1 1 9 CYS HB3 H -0.474 -2.715 5.988 1.00 . A A . 9 CYS HB3 1 1
6 1431 1 1 9 CYS N N -2.126 -2.826 3.154 1.00 . A A . 9 CYS N 1 1
6 1432 1 1 9 CYS O O -3.380 -1.700 6.171 1.00 . A A . 9 CYS O 1 1
6 1433 1 1 9 CYS SG S 0.314 -1.877 3.885 1.00 . A A . 9 CYS SG 1 1
6 1434 1 1 10 ALA C C -5.556 -0.710 5.348 1.00 . A A . 10 ALA C 1 1
6 1435 1 1 10 ALA CA C -5.808 -2.206 5.184 1.00 . A A . 10 ALA CA 1 1
6 1436 1 1 10 ALA CB C -6.036 -2.879 6.538 1.00 . A A . 10 ALA CB 1 1
6 1437 1 1 10 ALA H H -4.555 -3.376 3.868 1.00 . A A . 10 ALA H 1 1
6 1438 1 1 10 ALA HA H -6.634 -2.392 4.513 1.00 . A A . 10 ALA HA 1 1
6 1439 1 1 10 ALA HB1 H -6.499 -2.177 7.216 1.00 . A A . 10 ALA HB1 1 1
6 1440 1 1 10 ALA HB2 H -5.089 -3.200 6.944 1.00 . A A . 10 ALA HB2 1 1
6 1441 1 1 10 ALA HB3 H -6.682 -3.736 6.410 1.00 . A A . 10 ALA HB3 1 1
6 1442 1 1 10 ALA N N -4.543 -2.791 4.654 1.00 . A A . 10 ALA N 1 1
6 1443 1 1 10 ALA O O -6.117 -0.041 6.194 1.00 . A A . 10 ALA O 1 1
6 1444 1 1 11 ALA C C -4.094 1.751 3.188 1.00 . A A . 11 ALA C 1 1
6 1445 1 1 11 ALA CA C -4.247 1.203 4.608 1.00 . A A . 11 ALA CA 1 1
6 1446 1 1 11 ALA CB C -2.889 1.145 5.311 1.00 . A A . 11 ALA CB 1 1
6 1447 1 1 11 ALA H H -4.209 -0.798 3.906 1.00 . A A . 11 ALA H 1 1
6 1448 1 1 11 ALA HA H -4.946 1.787 5.184 1.00 . A A . 11 ALA HA 1 1
6 1449 1 1 11 ALA HB1 H -2.262 1.947 4.957 1.00 . A A . 11 ALA HB1 1 1
6 1450 1 1 11 ALA HB2 H -2.415 0.196 5.090 1.00 . A A . 11 ALA HB2 1 1
6 1451 1 1 11 ALA HB3 H -3.028 1.234 6.377 1.00 . A A . 11 ALA HB3 1 1
6 1452 1 1 11 ALA N N -4.652 -0.214 4.546 1.00 . A A . 11 ALA N 1 1
6 1453 1 1 11 ALA O O -4.674 2.759 2.838 1.00 . A A . 11 ALA O 1 1
6 1454 1 1 12 CYS C C -3.361 0.520 -0.094 1.00 . A A . 12 CYS C 1 1
6 1455 1 1 12 CYS CA C -3.138 1.602 0.964 1.00 . A A . 12 CYS CA 1 1
6 1456 1 1 12 CYS CB C -1.700 2.153 0.849 1.00 . A A . 12 CYS CB 1 1
6 1457 1 1 12 CYS H H -2.845 0.280 2.662 1.00 . A A . 12 CYS H 1 1
6 1458 1 1 12 CYS HA H -3.843 2.398 0.773 1.00 . A A . 12 CYS HA 1 1
6 1459 1 1 12 CYS HB2 H -1.104 1.462 0.273 1.00 . A A . 12 CYS HB2 1 1
6 1460 1 1 12 CYS HB3 H -1.728 3.104 0.336 1.00 . A A . 12 CYS HB3 1 1
6 1461 1 1 12 CYS N N -3.313 1.095 2.363 1.00 . A A . 12 CYS N 1 1
6 1462 1 1 12 CYS O O -2.851 0.641 -1.190 1.00 . A A . 12 CYS O 1 1
6 1463 1 1 12 CYS SG S -0.928 2.376 2.478 1.00 . A A . 12 CYS SG 1 1
6 1464 1 1 13 PRO C C -5.294 -0.733 -1.891 1.00 . A A . 13 PRO C 1 1
6 1465 1 1 13 PRO CA C -4.479 -1.466 -0.828 1.00 . A A . 13 PRO CA 1 1
6 1466 1 1 13 PRO CB C -5.311 -2.511 -0.088 1.00 . A A . 13 PRO CB 1 1
6 1467 1 1 13 PRO CD C -4.863 -0.745 1.463 1.00 . A A . 13 PRO CD 1 1
6 1468 1 1 13 PRO CG C -5.892 -1.769 1.069 1.00 . A A . 13 PRO CG 1 1
6 1469 1 1 13 PRO HA H -3.581 -1.899 -1.242 1.00 . A A . 13 PRO HA 1 1
6 1470 1 1 13 PRO HB2 H -6.093 -2.893 -0.729 1.00 . A A . 13 PRO HB2 1 1
6 1471 1 1 13 PRO HB3 H -4.683 -3.314 0.265 1.00 . A A . 13 PRO HB3 1 1
6 1472 1 1 13 PRO HD2 H -5.338 0.146 1.851 1.00 . A A . 13 PRO HD2 1 1
6 1473 1 1 13 PRO HD3 H -4.174 -1.158 2.178 1.00 . A A . 13 PRO HD3 1 1
6 1474 1 1 13 PRO HG2 H -6.813 -1.283 0.773 1.00 . A A . 13 PRO HG2 1 1
6 1475 1 1 13 PRO HG3 H -6.072 -2.442 1.893 1.00 . A A . 13 PRO HG3 1 1
6 1476 1 1 13 PRO N N -4.169 -0.464 0.204 1.00 . A A . 13 PRO N 1 1
6 1477 1 1 13 PRO O O -5.477 -1.195 -2.999 1.00 . A A . 13 PRO O 1 1
6 1478 1 1 14 ILE C C -5.657 2.198 -3.254 1.00 . A A . 14 ILE C 1 1
6 1479 1 1 14 ILE CA C -6.567 1.261 -2.474 1.00 . A A . 14 ILE CA 1 1
6 1480 1 1 14 ILE CB C -7.551 2.045 -1.605 1.00 . A A . 14 ILE CB 1 1
6 1481 1 1 14 ILE CD1 C -9.761 3.085 -2.131 1.00 . A A . 14 ILE CD1 1 1
6 1482 1 1 14 ILE CG1 C -8.269 3.086 -2.467 1.00 . A A . 14 ILE CG1 1 1
6 1483 1 1 14 ILE CG2 C -6.795 2.751 -0.476 1.00 . A A . 14 ILE CG2 1 1
6 1484 1 1 14 ILE H H -5.600 0.780 -0.638 1.00 . A A . 14 ILE H 1 1
6 1485 1 1 14 ILE HA H -7.083 0.632 -3.136 1.00 . A A . 14 ILE HA 1 1
6 1486 1 1 14 ILE HB H -8.276 1.366 -1.181 1.00 . A A . 14 ILE HB 1 1
6 1487 1 1 14 ILE HD11 H -10.081 2.077 -1.915 1.00 . A A . 14 ILE HD11 1 1
6 1488 1 1 14 ILE HD12 H -10.320 3.468 -2.973 1.00 . A A . 14 ILE HD12 1 1
6 1489 1 1 14 ILE HD13 H -9.936 3.711 -1.269 1.00 . A A . 14 ILE HD13 1 1
6 1490 1 1 14 ILE HG12 H -7.855 4.065 -2.271 1.00 . A A . 14 ILE HG12 1 1
6 1491 1 1 14 ILE HG13 H -8.137 2.842 -3.511 1.00 . A A . 14 ILE HG13 1 1
6 1492 1 1 14 ILE HG21 H -7.039 2.284 0.468 1.00 . A A . 14 ILE HG21 1 1
6 1493 1 1 14 ILE HG22 H -7.079 3.792 -0.447 1.00 . A A . 14 ILE HG22 1 1
6 1494 1 1 14 ILE HG23 H -5.732 2.672 -0.651 1.00 . A A . 14 ILE HG23 1 1
6 1495 1 1 14 ILE N N -5.773 0.440 -1.532 1.00 . A A . 14 ILE N 1 1
6 1496 1 1 14 ILE O O -5.967 2.624 -4.349 1.00 . A A . 14 ILE O 1 1
6 1497 1 1 15 THR C C -2.998 2.596 -4.588 1.00 . A A . 15 THR C 1 1
6 1498 1 1 15 THR CA C -3.562 3.377 -3.407 1.00 . A A . 15 THR CA 1 1
6 1499 1 1 15 THR CB C -2.509 3.649 -2.339 1.00 . A A . 15 THR CB 1 1
6 1500 1 1 15 THR CG2 C -1.118 3.787 -2.965 1.00 . A A . 15 THR CG2 1 1
6 1501 1 1 15 THR H H -4.295 2.116 -1.834 1.00 . A A . 15 THR H 1 1
6 1502 1 1 15 THR HA H -4.031 4.291 -3.730 1.00 . A A . 15 THR HA 1 1
6 1503 1 1 15 THR HB H -2.514 2.821 -1.644 1.00 . A A . 15 THR HB 1 1
6 1504 1 1 15 THR HG1 H -3.105 5.501 -2.303 1.00 . A A . 15 THR HG1 1 1
6 1505 1 1 15 THR HG21 H -0.573 2.863 -2.839 1.00 . A A . 15 THR HG21 1 1
6 1506 1 1 15 THR HG22 H -0.583 4.590 -2.480 1.00 . A A . 15 THR HG22 1 1
6 1507 1 1 15 THR HG23 H -1.216 4.005 -4.018 1.00 . A A . 15 THR HG23 1 1
6 1508 1 1 15 THR N N -4.526 2.496 -2.706 1.00 . A A . 15 THR N 1 1
6 1509 1 1 15 THR O O -3.242 2.909 -5.736 1.00 . A A . 15 THR O 1 1
6 1510 1 1 15 THR OG1 O -2.840 4.847 -1.651 1.00 . A A . 15 THR OG1 1 1
6 1511 1 1 16 VAL C C -2.794 -0.401 -5.685 1.00 . A A . 16 VAL C 1 1
6 1512 1 1 16 VAL CA C -1.759 0.687 -5.393 1.00 . A A . 16 VAL CA 1 1
6 1513 1 1 16 VAL CB C -0.468 0.079 -4.842 1.00 . A A . 16 VAL CB 1 1
6 1514 1 1 16 VAL CG1 C 0.509 1.195 -4.468 1.00 . A A . 16 VAL CG1 1 1
6 1515 1 1 16 VAL CG2 C -0.789 -0.754 -3.599 1.00 . A A . 16 VAL CG2 1 1
6 1516 1 1 16 VAL H H -2.144 1.288 -3.368 1.00 . A A . 16 VAL H 1 1
6 1517 1 1 16 VAL HA H -1.556 1.273 -6.276 1.00 . A A . 16 VAL HA 1 1
6 1518 1 1 16 VAL HB H -0.019 -0.553 -5.595 1.00 . A A . 16 VAL HB 1 1
6 1519 1 1 16 VAL HG11 H 0.245 2.098 -4.997 1.00 . A A . 16 VAL HG11 1 1
6 1520 1 1 16 VAL HG12 H 1.513 0.900 -4.738 1.00 . A A . 16 VAL HG12 1 1
6 1521 1 1 16 VAL HG13 H 0.461 1.374 -3.404 1.00 . A A . 16 VAL HG13 1 1
6 1522 1 1 16 VAL HG21 H -0.531 -0.193 -2.713 1.00 . A A . 16 VAL HG21 1 1
6 1523 1 1 16 VAL HG22 H -0.219 -1.672 -3.623 1.00 . A A . 16 VAL HG22 1 1
6 1524 1 1 16 VAL HG23 H -1.843 -0.986 -3.584 1.00 . A A . 16 VAL HG23 1 1
6 1525 1 1 16 VAL N N -2.290 1.542 -4.304 1.00 . A A . 16 VAL N 1 1
6 1526 1 1 16 VAL O O -2.462 -1.519 -6.027 1.00 . A A . 16 VAL O 1 1
6 1527 1 1 17 LYS C C -4.905 -1.776 -7.107 1.00 . A A . 17 LYS C 1 1
6 1528 1 1 17 LYS CA C -5.127 -1.083 -5.771 1.00 . A A . 17 LYS CA 1 1
6 1529 1 1 17 LYS CB C -6.437 -0.289 -5.778 1.00 . A A . 17 LYS CB 1 1
6 1530 1 1 17 LYS CD C -7.165 -0.440 -8.166 1.00 . A A . 17 LYS CD 1 1
6 1531 1 1 17 LYS CE C -8.306 0.284 -8.887 1.00 . A A . 17 LYS CE 1 1
6 1532 1 1 17 LYS CG C -6.570 0.479 -7.097 1.00 . A A . 17 LYS CG 1 1
6 1533 1 1 17 LYS H H -4.298 0.824 -5.239 1.00 . A A . 17 LYS H 1 1
6 1534 1 1 17 LYS HA H -5.133 -1.794 -4.982 1.00 . A A . 17 LYS HA 1 1
6 1535 1 1 17 LYS HB2 H -7.270 -0.969 -5.672 1.00 . A A . 17 LYS HB2 1 1
6 1536 1 1 17 LYS HB3 H -6.437 0.411 -4.956 1.00 . A A . 17 LYS HB3 1 1
6 1537 1 1 17 LYS HD2 H -6.397 -0.707 -8.879 1.00 . A A . 17 LYS HD2 1 1
6 1538 1 1 17 LYS HD3 H -7.548 -1.335 -7.699 1.00 . A A . 17 LYS HD3 1 1
6 1539 1 1 17 LYS HE2 H -9.118 -0.402 -9.085 1.00 . A A . 17 LYS HE2 1 1
6 1540 1 1 17 LYS HE3 H -8.652 1.119 -8.299 1.00 . A A . 17 LYS HE3 1 1
6 1541 1 1 17 LYS HG2 H -7.218 1.332 -6.954 1.00 . A A . 17 LYS HG2 1 1
6 1542 1 1 17 LYS HG3 H -5.596 0.817 -7.417 1.00 . A A . 17 LYS HG3 1 1
6 1543 1 1 17 LYS HZ1 H -8.441 0.781 -10.904 1.00 . A A . 17 LYS HZ1 1 1
6 1544 1 1 17 LYS HZ2 H -6.937 0.136 -10.450 1.00 . A A . 17 LYS HZ2 1 1
6 1545 1 1 17 LYS HZ3 H -7.342 1.733 -10.030 1.00 . A A . 17 LYS HZ3 1 1
6 1546 1 1 17 LYS N N -4.057 -0.078 -5.529 1.00 . A A . 17 LYS N 1 1
6 1547 1 1 17 LYS NZ N -7.711 0.770 -10.164 1.00 . A A . 17 LYS NZ 1 1
6 1548 1 1 17 LYS O O -5.365 -2.874 -7.350 1.00 . A A . 17 LYS O 1 1
6 1549 1 1 18 LYS C C -3.327 -3.108 -9.170 1.00 . A A . 18 LYS C 1 1
6 1550 1 1 18 LYS CA C -3.910 -1.699 -9.309 1.00 . A A . 18 LYS CA 1 1
6 1551 1 1 18 LYS CB C -2.882 -0.750 -9.925 1.00 . A A . 18 LYS CB 1 1
6 1552 1 1 18 LYS CD C -3.301 0.749 -11.879 1.00 . A A . 18 LYS CD 1 1
6 1553 1 1 18 LYS CE C -4.803 1.028 -11.970 1.00 . A A . 18 LYS CE 1 1
6 1554 1 1 18 LYS CG C -3.074 -0.699 -11.441 1.00 . A A . 18 LYS CG 1 1
6 1555 1 1 18 LYS H H -3.854 -0.248 -7.716 1.00 . A A . 18 LYS H 1 1
6 1556 1 1 18 LYS HA H -4.804 -1.717 -9.913 1.00 . A A . 18 LYS HA 1 1
6 1557 1 1 18 LYS HB2 H -3.015 0.239 -9.511 1.00 . A A . 18 LYS HB2 1 1
6 1558 1 1 18 LYS HB3 H -1.887 -1.103 -9.702 1.00 . A A . 18 LYS HB3 1 1
6 1559 1 1 18 LYS HD2 H -2.853 1.417 -11.157 1.00 . A A . 18 LYS HD2 1 1
6 1560 1 1 18 LYS HD3 H -2.848 0.908 -12.846 1.00 . A A . 18 LYS HD3 1 1
6 1561 1 1 18 LYS HE2 H -5.287 0.276 -12.578 1.00 . A A . 18 LYS HE2 1 1
6 1562 1 1 18 LYS HE3 H -5.241 1.058 -10.985 1.00 . A A . 18 LYS HE3 1 1
6 1563 1 1 18 LYS HG2 H -2.191 -1.089 -11.928 1.00 . A A . 18 LYS HG2 1 1
6 1564 1 1 18 LYS HG3 H -3.930 -1.295 -11.717 1.00 . A A . 18 LYS HG3 1 1
6 1565 1 1 18 LYS HZ1 H -5.707 2.887 -12.208 1.00 . A A . 18 LYS HZ1 1 1
6 1566 1 1 18 LYS HZ2 H -5.051 2.247 -13.638 1.00 . A A . 18 LYS HZ2 1 1
6 1567 1 1 18 LYS HZ3 H -4.028 2.900 -12.448 1.00 . A A . 18 LYS HZ3 1 1
6 1568 1 1 18 LYS N N -4.199 -1.125 -7.964 1.00 . A A . 18 LYS N 1 1
6 1569 1 1 18 LYS NZ N -4.905 2.367 -12.615 1.00 . A A . 18 LYS NZ 1 1
6 1570 1 1 18 LYS O O -2.712 -3.375 -8.152 1.00 . A A . 18 LYS O 1 1
6 1571 1 1 18 LYS OXT O -3.506 -3.895 -10.085 1.00 . A A . 18 LYS OXT 1 1
6 1572 2 2 1 HG HG HG -0.157 0.274 3.126 1.00 . B A . 20 HG HG 1 1
7 1573 1 1 1 THR C C 7.337 5.194 7.446 1.00 . A A . 1 THR C 1 1
7 1574 1 1 1 THR CA C 7.199 6.718 7.477 1.00 . A A . 1 THR CA 1 1
7 1575 1 1 1 THR CB C 6.751 7.242 6.112 1.00 . A A . 1 THR CB 1 1
7 1576 1 1 1 THR CG2 C 7.876 7.047 5.094 1.00 . A A . 1 THR CG2 1 1
7 1577 1 1 1 THR H1 H 9.282 6.690 7.443 1.00 . A A . 1 THR H1 1 1
7 1578 1 1 1 THR H2 H 8.622 7.582 8.729 1.00 . A A . 1 THR H2 1 1
7 1579 1 1 1 THR H3 H 8.607 8.219 7.154 1.00 . A A . 1 THR H3 1 1
7 1580 1 1 1 THR HA H 6.494 7.018 8.237 1.00 . A A . 1 THR HA 1 1
7 1581 1 1 1 THR HB H 6.517 8.292 6.187 1.00 . A A . 1 THR HB 1 1
7 1582 1 1 1 THR HG1 H 4.966 7.161 5.342 1.00 . A A . 1 THR HG1 1 1
7 1583 1 1 1 THR HG21 H 7.516 6.446 4.272 1.00 . A A . 1 THR HG21 1 1
7 1584 1 1 1 THR HG22 H 8.707 6.547 5.569 1.00 . A A . 1 THR HG22 1 1
7 1585 1 1 1 THR HG23 H 8.198 8.009 4.724 1.00 . A A . 1 THR HG23 1 1
7 1586 1 1 1 THR N N 8.528 7.350 7.719 1.00 . A A . 1 THR N 1 1
7 1587 1 1 1 THR O O 7.545 4.602 6.405 1.00 . A A . 1 THR O 1 1
7 1588 1 1 1 THR OG1 O 5.598 6.527 5.688 1.00 . A A . 1 THR OG1 1 1
7 1589 1 1 2 LEU C C 6.529 2.455 7.465 1.00 . A A . 2 LEU C 1 1
7 1590 1 1 2 LEU CA C 7.344 3.069 8.606 1.00 . A A . 2 LEU CA 1 1
7 1591 1 1 2 LEU CB C 6.776 2.649 9.964 1.00 . A A . 2 LEU CB 1 1
7 1592 1 1 2 LEU CD1 C 6.729 0.549 11.316 1.00 . A A . 2 LEU CD1 1 1
7 1593 1 1 2 LEU CD2 C 4.964 0.968 9.600 1.00 . A A . 2 LEU CD2 1 1
7 1594 1 1 2 LEU CG C 6.443 1.156 9.942 1.00 . A A . 2 LEU CG 1 1
7 1595 1 1 2 LEU H H 7.052 5.049 9.406 1.00 . A A . 2 LEU H 1 1
7 1596 1 1 2 LEU HA H 8.379 2.774 8.532 1.00 . A A . 2 LEU HA 1 1
7 1597 1 1 2 LEU HB2 H 7.507 2.845 10.735 1.00 . A A . 2 LEU HB2 1 1
7 1598 1 1 2 LEU HB3 H 5.878 3.213 10.168 1.00 . A A . 2 LEU HB3 1 1
7 1599 1 1 2 LEU HD11 H 6.051 -0.272 11.496 1.00 . A A . 2 LEU HD11 1 1
7 1600 1 1 2 LEU HD12 H 6.593 1.302 12.078 1.00 . A A . 2 LEU HD12 1 1
7 1601 1 1 2 LEU HD13 H 7.747 0.188 11.345 1.00 . A A . 2 LEU HD13 1 1
7 1602 1 1 2 LEU HD21 H 4.444 1.908 9.718 1.00 . A A . 2 LEU HD21 1 1
7 1603 1 1 2 LEU HD22 H 4.532 0.232 10.262 1.00 . A A . 2 LEU HD22 1 1
7 1604 1 1 2 LEU HD23 H 4.870 0.631 8.578 1.00 . A A . 2 LEU HD23 1 1
7 1605 1 1 2 LEU HG H 7.052 0.664 9.197 1.00 . A A . 2 LEU HG 1 1
7 1606 1 1 2 LEU N N 7.221 4.554 8.577 1.00 . A A . 2 LEU N 1 1
7 1607 1 1 2 LEU O O 5.318 2.558 7.430 1.00 . A A . 2 LEU O 1 1
7 1608 1 1 3 ALA C C 7.360 0.287 4.588 1.00 . A A . 3 ALA C 1 1
7 1609 1 1 3 ALA CA C 6.437 1.204 5.395 1.00 . A A . 3 ALA CA 1 1
7 1610 1 1 3 ALA CB C 5.974 2.384 4.542 1.00 . A A . 3 ALA CB 1 1
7 1611 1 1 3 ALA H H 8.157 1.748 6.575 1.00 . A A . 3 ALA H 1 1
7 1612 1 1 3 ALA HA H 5.582 0.654 5.757 1.00 . A A . 3 ALA HA 1 1
7 1613 1 1 3 ALA HB1 H 6.452 2.340 3.575 1.00 . A A . 3 ALA HB1 1 1
7 1614 1 1 3 ALA HB2 H 6.240 3.309 5.033 1.00 . A A . 3 ALA HB2 1 1
7 1615 1 1 3 ALA HB3 H 4.902 2.339 4.416 1.00 . A A . 3 ALA HB3 1 1
7 1616 1 1 3 ALA N N 7.180 1.819 6.531 1.00 . A A . 3 ALA N 1 1
7 1617 1 1 3 ALA O O 8.535 0.165 4.875 1.00 . A A . 3 ALA O 1 1
7 1618 1 1 4 VAL C C 8.125 -0.550 1.475 1.00 . A A . 4 VAL C 1 1
7 1619 1 1 4 VAL CA C 7.682 -1.266 2.755 1.00 . A A . 4 VAL CA 1 1
7 1620 1 1 4 VAL CB C 6.774 -2.452 2.422 1.00 . A A . 4 VAL CB 1 1
7 1621 1 1 4 VAL CG1 C 6.040 -2.907 3.685 1.00 . A A . 4 VAL CG1 1 1
7 1622 1 1 4 VAL CG2 C 5.752 -2.031 1.363 1.00 . A A . 4 VAL CG2 1 1
7 1623 1 1 4 VAL H H 5.887 -0.244 3.369 1.00 . A A . 4 VAL H 1 1
7 1624 1 1 4 VAL HA H 8.539 -1.602 3.317 1.00 . A A . 4 VAL HA 1 1
7 1625 1 1 4 VAL HB H 7.372 -3.268 2.043 1.00 . A A . 4 VAL HB 1 1
7 1626 1 1 4 VAL HG11 H 6.173 -3.971 3.814 1.00 . A A . 4 VAL HG11 1 1
7 1627 1 1 4 VAL HG12 H 4.988 -2.684 3.589 1.00 . A A . 4 VAL HG12 1 1
7 1628 1 1 4 VAL HG13 H 6.443 -2.387 4.542 1.00 . A A . 4 VAL HG13 1 1
7 1629 1 1 4 VAL HG21 H 5.570 -0.969 1.440 1.00 . A A . 4 VAL HG21 1 1
7 1630 1 1 4 VAL HG22 H 4.827 -2.567 1.522 1.00 . A A . 4 VAL HG22 1 1
7 1631 1 1 4 VAL HG23 H 6.136 -2.261 0.381 1.00 . A A . 4 VAL HG23 1 1
7 1632 1 1 4 VAL N N 6.837 -0.358 3.582 1.00 . A A . 4 VAL N 1 1
7 1633 1 1 4 VAL O O 7.595 0.488 1.131 1.00 . A A . 4 VAL O 1 1
7 1634 1 1 5 PRO C C 8.581 -0.724 -1.580 1.00 . A A . 5 PRO C 1 1
7 1635 1 1 5 PRO CA C 9.600 -0.545 -0.449 1.00 . A A . 5 PRO CA 1 1
7 1636 1 1 5 PRO CB C 10.870 -1.348 -0.723 1.00 . A A . 5 PRO CB 1 1
7 1637 1 1 5 PRO CD C 9.769 -2.383 1.161 1.00 . A A . 5 PRO CD 1 1
7 1638 1 1 5 PRO CG C 10.664 -2.652 -0.021 1.00 . A A . 5 PRO CG 1 1
7 1639 1 1 5 PRO HA H 9.842 0.496 -0.313 1.00 . A A . 5 PRO HA 1 1
7 1640 1 1 5 PRO HB2 H 10.992 -1.504 -1.786 1.00 . A A . 5 PRO HB2 1 1
7 1641 1 1 5 PRO HB3 H 11.730 -0.841 -0.315 1.00 . A A . 5 PRO HB3 1 1
7 1642 1 1 5 PRO HD2 H 9.059 -3.189 1.285 1.00 . A A . 5 PRO HD2 1 1
7 1643 1 1 5 PRO HD3 H 10.352 -2.247 2.057 1.00 . A A . 5 PRO HD3 1 1
7 1644 1 1 5 PRO HG2 H 10.194 -3.360 -0.690 1.00 . A A . 5 PRO HG2 1 1
7 1645 1 1 5 PRO HG3 H 11.610 -3.041 0.321 1.00 . A A . 5 PRO HG3 1 1
7 1646 1 1 5 PRO N N 9.082 -1.134 0.809 1.00 . A A . 5 PRO N 1 1
7 1647 1 1 5 PRO O O 8.734 -1.569 -2.440 1.00 . A A . 5 PRO O 1 1
7 1648 1 1 6 GLY C C 5.140 0.321 -2.087 1.00 . A A . 6 GLY C 1 1
7 1649 1 1 6 GLY CA C 6.511 -0.057 -2.653 1.00 . A A . 6 GLY CA 1 1
7 1650 1 1 6 GLY H H 7.436 0.739 -0.879 1.00 . A A . 6 GLY H 1 1
7 1651 1 1 6 GLY HA2 H 6.761 0.605 -3.470 1.00 . A A . 6 GLY HA2 1 1
7 1652 1 1 6 GLY HA3 H 6.481 -1.075 -3.010 1.00 . A A . 6 GLY HA3 1 1
7 1653 1 1 6 GLY N N 7.541 0.066 -1.582 1.00 . A A . 6 GLY N 1 1
7 1654 1 1 6 GLY O O 4.931 1.426 -1.628 1.00 . A A . 6 GLY O 1 1
7 1655 1 1 7 MET C C 2.019 -1.572 -1.487 1.00 . A A . 7 MET C 1 1
7 1656 1 1 7 MET CA C 2.845 -0.284 -1.580 1.00 . A A . 7 MET CA 1 1
7 1657 1 1 7 MET CB C 2.228 0.684 -2.592 1.00 . A A . 7 MET CB 1 1
7 1658 1 1 7 MET CE C 1.991 4.708 -1.815 1.00 . A A . 7 MET CE 1 1
7 1659 1 1 7 MET CG C 1.862 1.994 -1.890 1.00 . A A . 7 MET CG 1 1
7 1660 1 1 7 MET H H 4.394 -1.474 -2.492 1.00 . A A . 7 MET H 1 1
7 1661 1 1 7 MET HA H 2.918 0.189 -0.613 1.00 . A A . 7 MET HA 1 1
7 1662 1 1 7 MET HB2 H 2.941 0.883 -3.378 1.00 . A A . 7 MET HB2 1 1
7 1663 1 1 7 MET HB3 H 1.338 0.243 -3.015 1.00 . A A . 7 MET HB3 1 1
7 1664 1 1 7 MET HE1 H 2.186 5.593 -2.404 1.00 . A A . 7 MET HE1 1 1
7 1665 1 1 7 MET HE2 H 2.282 4.887 -0.793 1.00 . A A . 7 MET HE2 1 1
7 1666 1 1 7 MET HE3 H 0.937 4.470 -1.850 1.00 . A A . 7 MET HE3 1 1
7 1667 1 1 7 MET HG2 H 0.834 2.243 -2.107 1.00 . A A . 7 MET HG2 1 1
7 1668 1 1 7 MET HG3 H 1.987 1.878 -0.823 1.00 . A A . 7 MET HG3 1 1
7 1669 1 1 7 MET N N 4.204 -0.588 -2.117 1.00 . A A . 7 MET N 1 1
7 1670 1 1 7 MET O O 2.548 -2.662 -1.570 1.00 . A A . 7 MET O 1 1
7 1671 1 1 7 MET SD S 2.942 3.320 -2.483 1.00 . A A . 7 MET SD 1 1
7 1672 1 1 8 THR C C 0.498 -3.666 -0.214 1.00 . A A . 8 THR C 1 1
7 1673 1 1 8 THR CA C -0.114 -2.686 -1.219 1.00 . A A . 8 THR CA 1 1
7 1674 1 1 8 THR CB C -0.101 -3.282 -2.628 1.00 . A A . 8 THR CB 1 1
7 1675 1 1 8 THR CG2 C -0.587 -4.730 -2.579 1.00 . A A . 8 THR CG2 1 1
7 1676 1 1 8 THR H H 0.312 -0.575 -1.250 1.00 . A A . 8 THR H 1 1
7 1677 1 1 8 THR HA H -1.121 -2.431 -0.934 1.00 . A A . 8 THR HA 1 1
7 1678 1 1 8 THR HB H 0.904 -3.257 -3.021 1.00 . A A . 8 THR HB 1 1
7 1679 1 1 8 THR HG1 H -0.473 -1.747 -3.765 1.00 . A A . 8 THR HG1 1 1
7 1680 1 1 8 THR HG21 H -0.534 -5.162 -3.567 1.00 . A A . 8 THR HG21 1 1
7 1681 1 1 8 THR HG22 H -1.608 -4.756 -2.230 1.00 . A A . 8 THR HG22 1 1
7 1682 1 1 8 THR HG23 H 0.038 -5.296 -1.904 1.00 . A A . 8 THR HG23 1 1
7 1683 1 1 8 THR N N 0.728 -1.460 -1.315 1.00 . A A . 8 THR N 1 1
7 1684 1 1 8 THR O O 1.401 -4.413 -0.533 1.00 . A A . 8 THR O 1 1
7 1685 1 1 8 THR OG1 O -0.958 -2.521 -3.470 1.00 . A A . 8 THR OG1 1 1
7 1686 1 1 9 CYS C C -0.367 -4.757 3.198 1.00 . A A . 9 CYS C 1 1
7 1687 1 1 9 CYS CA C 0.582 -4.601 2.016 1.00 . A A . 9 CYS CA 1 1
7 1688 1 1 9 CYS CB C 1.896 -3.957 2.457 1.00 . A A . 9 CYS CB 1 1
7 1689 1 1 9 CYS H H -0.710 -3.057 1.243 1.00 . A A . 9 CYS H 1 1
7 1690 1 1 9 CYS HA H 0.775 -5.548 1.581 1.00 . A A . 9 CYS HA 1 1
7 1691 1 1 9 CYS HB2 H 2.326 -4.546 3.242 1.00 . A A . 9 CYS HB2 1 1
7 1692 1 1 9 CYS HB3 H 2.577 -3.917 1.620 1.00 . A A . 9 CYS HB3 1 1
7 1693 1 1 9 CYS N N 0.017 -3.668 1.000 1.00 . A A . 9 CYS N 1 1
7 1694 1 1 9 CYS O O -0.054 -4.358 4.299 1.00 . A A . 9 CYS O 1 1
7 1695 1 1 9 CYS SG S 1.604 -2.285 3.079 1.00 . A A . 9 CYS SG 1 1
7 1696 1 1 10 ALA C C -2.523 -4.094 4.829 1.00 . A A . 10 ALA C 1 1
7 1697 1 1 10 ALA CA C -2.495 -5.445 4.124 1.00 . A A . 10 ALA CA 1 1
7 1698 1 1 10 ALA CB C -1.910 -6.529 5.031 1.00 . A A . 10 ALA CB 1 1
7 1699 1 1 10 ALA H H -1.787 -5.623 2.090 1.00 . A A . 10 ALA H 1 1
7 1700 1 1 10 ALA HA H -3.477 -5.723 3.774 1.00 . A A . 10 ALA HA 1 1
7 1701 1 1 10 ALA HB1 H -1.621 -7.381 4.433 1.00 . A A . 10 ALA HB1 1 1
7 1702 1 1 10 ALA HB2 H -2.652 -6.833 5.754 1.00 . A A . 10 ALA HB2 1 1
7 1703 1 1 10 ALA HB3 H -1.044 -6.140 5.546 1.00 . A A . 10 ALA HB3 1 1
7 1704 1 1 10 ALA N N -1.537 -5.317 2.987 1.00 . A A . 10 ALA N 1 1
7 1705 1 1 10 ALA O O -2.744 -3.982 6.019 1.00 . A A . 10 ALA O 1 1
7 1706 1 1 11 ALA C C -2.770 -0.724 3.578 1.00 . A A . 11 ALA C 1 1
7 1707 1 1 11 ALA CA C -2.184 -1.696 4.603 1.00 . A A . 11 ALA CA 1 1
7 1708 1 1 11 ALA CB C -0.687 -1.451 4.766 1.00 . A A . 11 ALA CB 1 1
7 1709 1 1 11 ALA H H -2.052 -3.220 3.126 1.00 . A A . 11 ALA H 1 1
7 1710 1 1 11 ALA HA H -2.688 -1.620 5.552 1.00 . A A . 11 ALA HA 1 1
7 1711 1 1 11 ALA HB1 H -0.175 -2.399 4.845 1.00 . A A . 11 ALA HB1 1 1
7 1712 1 1 11 ALA HB2 H -0.507 -0.871 5.653 1.00 . A A . 11 ALA HB2 1 1
7 1713 1 1 11 ALA HB3 H -0.316 -0.919 3.902 1.00 . A A . 11 ALA HB3 1 1
7 1714 1 1 11 ALA N N -2.247 -3.072 4.068 1.00 . A A . 11 ALA N 1 1
7 1715 1 1 11 ALA O O -3.753 -0.057 3.832 1.00 . A A . 11 ALA O 1 1
7 1716 1 1 12 CYS C C -2.797 -0.357 0.005 1.00 . A A . 12 CYS C 1 1
7 1717 1 1 12 CYS CA C -2.716 0.294 1.380 1.00 . A A . 12 CYS CA 1 1
7 1718 1 1 12 CYS CB C -1.770 1.498 1.374 1.00 . A A . 12 CYS CB 1 1
7 1719 1 1 12 CYS H H -1.377 -1.191 2.221 1.00 . A A . 12 CYS H 1 1
7 1720 1 1 12 CYS HA H -3.708 0.617 1.653 1.00 . A A . 12 CYS HA 1 1
7 1721 1 1 12 CYS HB2 H -2.246 2.325 0.870 1.00 . A A . 12 CYS HB2 1 1
7 1722 1 1 12 CYS HB3 H -1.543 1.780 2.391 1.00 . A A . 12 CYS HB3 1 1
7 1723 1 1 12 CYS N N -2.174 -0.640 2.413 1.00 . A A . 12 CYS N 1 1
7 1724 1 1 12 CYS O O -2.504 0.268 -0.995 1.00 . A A . 12 CYS O 1 1
7 1725 1 1 12 CYS SG S -0.238 1.073 0.511 1.00 . A A . 12 CYS SG 1 1
7 1726 1 1 13 PRO C C -4.755 -1.608 -1.887 1.00 . A A . 13 PRO C 1 1
7 1727 1 1 13 PRO CA C -3.507 -2.251 -1.289 1.00 . A A . 13 PRO CA 1 1
7 1728 1 1 13 PRO CB C -3.758 -3.703 -0.893 1.00 . A A . 13 PRO CB 1 1
7 1729 1 1 13 PRO CD C -3.669 -2.393 1.134 1.00 . A A . 13 PRO CD 1 1
7 1730 1 1 13 PRO CG C -4.260 -3.633 0.514 1.00 . A A . 13 PRO CG 1 1
7 1731 1 1 13 PRO HA H -2.656 -2.162 -1.945 1.00 . A A . 13 PRO HA 1 1
7 1732 1 1 13 PRO HB2 H -4.501 -4.146 -1.541 1.00 . A A . 13 PRO HB2 1 1
7 1733 1 1 13 PRO HB3 H -2.840 -4.267 -0.928 1.00 . A A . 13 PRO HB3 1 1
7 1734 1 1 13 PRO HD2 H -4.405 -1.885 1.741 1.00 . A A . 13 PRO HD2 1 1
7 1735 1 1 13 PRO HD3 H -2.802 -2.639 1.714 1.00 . A A . 13 PRO HD3 1 1
7 1736 1 1 13 PRO HG2 H -5.340 -3.572 0.516 1.00 . A A . 13 PRO HG2 1 1
7 1737 1 1 13 PRO HG3 H -3.937 -4.503 1.064 1.00 . A A . 13 PRO HG3 1 1
7 1738 1 1 13 PRO N N -3.283 -1.567 -0.011 1.00 . A A . 13 PRO N 1 1
7 1739 1 1 13 PRO O O -5.112 -1.826 -3.026 1.00 . A A . 13 PRO O 1 1
7 1740 1 1 14 ILE C C -6.234 1.246 -2.150 1.00 . A A . 14 ILE C 1 1
7 1741 1 1 14 ILE CA C -6.628 -0.090 -1.539 1.00 . A A . 14 ILE CA 1 1
7 1742 1 1 14 ILE CB C -7.475 0.100 -0.272 1.00 . A A . 14 ILE CB 1 1
7 1743 1 1 14 ILE CD1 C -7.828 1.513 1.759 1.00 . A A . 14 ILE CD1 1 1
7 1744 1 1 14 ILE CG1 C -6.936 1.284 0.538 1.00 . A A . 14 ILE CG1 1 1
7 1745 1 1 14 ILE CG2 C -7.410 -1.167 0.589 1.00 . A A . 14 ILE CG2 1 1
7 1746 1 1 14 ILE H H -5.091 -0.638 -0.184 1.00 . A A . 14 ILE H 1 1
7 1747 1 1 14 ILE HA H -7.140 -0.680 -2.242 1.00 . A A . 14 ILE HA 1 1
7 1748 1 1 14 ILE HB H -8.501 0.291 -0.552 1.00 . A A . 14 ILE HB 1 1
7 1749 1 1 14 ILE HD11 H -8.735 2.013 1.453 1.00 . A A . 14 ILE HD11 1 1
7 1750 1 1 14 ILE HD12 H -7.304 2.126 2.478 1.00 . A A . 14 ILE HD12 1 1
7 1751 1 1 14 ILE HD13 H -8.075 0.562 2.208 1.00 . A A . 14 ILE HD13 1 1
7 1752 1 1 14 ILE HG12 H -5.928 1.069 0.862 1.00 . A A . 14 ILE HG12 1 1
7 1753 1 1 14 ILE HG13 H -6.936 2.172 -0.077 1.00 . A A . 14 ILE HG13 1 1
7 1754 1 1 14 ILE HG21 H -6.400 -1.308 0.947 1.00 . A A . 14 ILE HG21 1 1
7 1755 1 1 14 ILE HG22 H -7.704 -2.020 -0.002 1.00 . A A . 14 ILE HG22 1 1
7 1756 1 1 14 ILE HG23 H -8.078 -1.064 1.432 1.00 . A A . 14 ILE HG23 1 1
7 1757 1 1 14 ILE N N -5.412 -0.793 -1.088 1.00 . A A . 14 ILE N 1 1
7 1758 1 1 14 ILE O O -6.929 1.813 -2.969 1.00 . A A . 14 ILE O 1 1
7 1759 1 1 15 THR C C -4.125 2.762 -3.732 1.00 . A A . 15 THR C 1 1
7 1760 1 1 15 THR CA C -4.589 3.009 -2.299 1.00 . A A . 15 THR CA 1 1
7 1761 1 1 15 THR CB C -3.428 3.328 -1.359 1.00 . A A . 15 THR CB 1 1
7 1762 1 1 15 THR CG2 C -2.258 3.961 -2.121 1.00 . A A . 15 THR CG2 1 1
7 1763 1 1 15 THR H H -4.560 1.228 -1.114 1.00 . A A . 15 THR H 1 1
7 1764 1 1 15 THR HA H -5.341 3.779 -2.258 1.00 . A A . 15 THR HA 1 1
7 1765 1 1 15 THR HB H -3.102 2.402 -0.899 1.00 . A A . 15 THR HB 1 1
7 1766 1 1 15 THR HG1 H -3.885 3.751 0.485 1.00 . A A . 15 THR HG1 1 1
7 1767 1 1 15 THR HG21 H -1.611 3.183 -2.499 1.00 . A A . 15 THR HG21 1 1
7 1768 1 1 15 THR HG22 H -1.700 4.602 -1.455 1.00 . A A . 15 THR HG22 1 1
7 1769 1 1 15 THR HG23 H -2.640 4.544 -2.946 1.00 . A A . 15 THR HG23 1 1
7 1770 1 1 15 THR N N -5.099 1.729 -1.760 1.00 . A A . 15 THR N 1 1
7 1771 1 1 15 THR O O -4.756 3.173 -4.685 1.00 . A A . 15 THR O 1 1
7 1772 1 1 15 THR OG1 O -3.876 4.224 -0.351 1.00 . A A . 15 THR OG1 1 1
7 1773 1 1 16 VAL C C -3.199 0.384 -5.666 1.00 . A A . 16 VAL C 1 1
7 1774 1 1 16 VAL CA C -2.565 1.712 -5.247 1.00 . A A . 16 VAL CA 1 1
7 1775 1 1 16 VAL CB C -1.047 1.581 -5.118 1.00 . A A . 16 VAL CB 1 1
7 1776 1 1 16 VAL CG1 C -0.470 1.009 -6.414 1.00 . A A . 16 VAL CG1 1 1
7 1777 1 1 16 VAL CG2 C -0.440 2.961 -4.857 1.00 . A A . 16 VAL CG2 1 1
7 1778 1 1 16 VAL H H -2.580 1.694 -3.099 1.00 . A A . 16 VAL H 1 1
7 1779 1 1 16 VAL HA H -2.819 2.495 -5.945 1.00 . A A . 16 VAL HA 1 1
7 1780 1 1 16 VAL HB H -0.811 0.920 -4.297 1.00 . A A . 16 VAL HB 1 1
7 1781 1 1 16 VAL HG11 H -1.209 1.080 -7.199 1.00 . A A . 16 VAL HG11 1 1
7 1782 1 1 16 VAL HG12 H -0.203 -0.026 -6.263 1.00 . A A . 16 VAL HG12 1 1
7 1783 1 1 16 VAL HG13 H 0.408 1.570 -6.696 1.00 . A A . 16 VAL HG13 1 1
7 1784 1 1 16 VAL HG21 H 0.465 3.072 -5.436 1.00 . A A . 16 VAL HG21 1 1
7 1785 1 1 16 VAL HG22 H -0.210 3.061 -3.807 1.00 . A A . 16 VAL HG22 1 1
7 1786 1 1 16 VAL HG23 H -1.147 3.725 -5.145 1.00 . A A . 16 VAL HG23 1 1
7 1787 1 1 16 VAL N N -3.049 2.045 -3.885 1.00 . A A . 16 VAL N 1 1
7 1788 1 1 16 VAL O O -2.616 -0.401 -6.388 1.00 . A A . 16 VAL O 1 1
7 1789 1 1 17 LYS C C -5.095 -1.359 -7.048 1.00 . A A . 17 LYS C 1 1
7 1790 1 1 17 LYS CA C -5.082 -1.149 -5.541 1.00 . A A . 17 LYS CA 1 1
7 1791 1 1 17 LYS CB C -6.508 -0.996 -5.008 1.00 . A A . 17 LYS CB 1 1
7 1792 1 1 17 LYS CD C -8.610 -2.223 -4.432 1.00 . A A . 17 LYS CD 1 1
7 1793 1 1 17 LYS CE C -8.876 -3.193 -3.276 1.00 . A A . 17 LYS CE 1 1
7 1794 1 1 17 LYS CG C -7.160 -2.375 -4.897 1.00 . A A . 17 LYS CG 1 1
7 1795 1 1 17 LYS H H -4.839 0.769 -4.612 1.00 . A A . 17 LYS H 1 1
7 1796 1 1 17 LYS HA H -4.595 -1.959 -5.058 1.00 . A A . 17 LYS HA 1 1
7 1797 1 1 17 LYS HB2 H -6.480 -0.529 -4.034 1.00 . A A . 17 LYS HB2 1 1
7 1798 1 1 17 LYS HB3 H -7.081 -0.382 -5.686 1.00 . A A . 17 LYS HB3 1 1
7 1799 1 1 17 LYS HD2 H -8.778 -1.208 -4.100 1.00 . A A . 17 LYS HD2 1 1
7 1800 1 1 17 LYS HD3 H -9.275 -2.447 -5.252 1.00 . A A . 17 LYS HD3 1 1
7 1801 1 1 17 LYS HE2 H -8.117 -3.963 -3.255 1.00 . A A . 17 LYS HE2 1 1
7 1802 1 1 17 LYS HE3 H -8.898 -2.661 -2.338 1.00 . A A . 17 LYS HE3 1 1
7 1803 1 1 17 LYS HG2 H -7.140 -2.861 -5.862 1.00 . A A . 17 LYS HG2 1 1
7 1804 1 1 17 LYS HG3 H -6.617 -2.973 -4.181 1.00 . A A . 17 LYS HG3 1 1
7 1805 1 1 17 LYS HZ1 H -10.450 -3.667 -4.560 1.00 . A A . 17 LYS HZ1 1 1
7 1806 1 1 17 LYS HZ2 H -10.933 -3.315 -2.970 1.00 . A A . 17 LYS HZ2 1 1
7 1807 1 1 17 LYS HZ3 H -10.196 -4.803 -3.328 1.00 . A A . 17 LYS HZ3 1 1
7 1808 1 1 17 LYS N N -4.396 0.126 -5.198 1.00 . A A . 17 LYS N 1 1
7 1809 1 1 17 LYS NZ N -10.214 -3.789 -3.556 1.00 . A A . 17 LYS NZ 1 1
7 1810 1 1 17 LYS O O -5.280 -2.453 -7.543 1.00 . A A . 17 LYS O 1 1
7 1811 1 1 18 LYS C C -4.032 0.713 -9.853 1.00 . A A . 18 LYS C 1 1
7 1812 1 1 18 LYS CA C -4.896 -0.401 -9.257 1.00 . A A . 18 LYS CA 1 1
7 1813 1 1 18 LYS CB C -6.359 -0.224 -9.665 1.00 . A A . 18 LYS CB 1 1
7 1814 1 1 18 LYS CD C -8.346 1.282 -9.520 1.00 . A A . 18 LYS CD 1 1
7 1815 1 1 18 LYS CE C -9.103 1.790 -8.290 1.00 . A A . 18 LYS CE 1 1
7 1816 1 1 18 LYS CG C -6.861 1.138 -9.184 1.00 . A A . 18 LYS CG 1 1
7 1817 1 1 18 LYS H H -4.759 0.545 -7.325 1.00 . A A . 18 LYS H 1 1
7 1818 1 1 18 LYS HA H -4.539 -1.368 -9.574 1.00 . A A . 18 LYS HA 1 1
7 1819 1 1 18 LYS HB2 H -6.442 -0.281 -10.740 1.00 . A A . 18 LYS HB2 1 1
7 1820 1 1 18 LYS HB3 H -6.955 -1.004 -9.215 1.00 . A A . 18 LYS HB3 1 1
7 1821 1 1 18 LYS HD2 H -8.465 1.984 -10.333 1.00 . A A . 18 LYS HD2 1 1
7 1822 1 1 18 LYS HD3 H -8.743 0.322 -9.814 1.00 . A A . 18 LYS HD3 1 1
7 1823 1 1 18 LYS HE2 H -10.121 1.424 -8.301 1.00 . A A . 18 LYS HE2 1 1
7 1824 1 1 18 LYS HE3 H -8.602 1.482 -7.386 1.00 . A A . 18 LYS HE3 1 1
7 1825 1 1 18 LYS HG2 H -6.723 1.216 -8.115 1.00 . A A . 18 LYS HG2 1 1
7 1826 1 1 18 LYS HG3 H -6.305 1.921 -9.677 1.00 . A A . 18 LYS HG3 1 1
7 1827 1 1 18 LYS HZ1 H -9.987 3.606 -8.796 1.00 . A A . 18 LYS HZ1 1 1
7 1828 1 1 18 LYS HZ2 H -8.306 3.563 -9.038 1.00 . A A . 18 LYS HZ2 1 1
7 1829 1 1 18 LYS HZ3 H -8.938 3.695 -7.467 1.00 . A A . 18 LYS HZ3 1 1
7 1830 1 1 18 LYS N N -4.901 -0.309 -7.769 1.00 . A A . 18 LYS N 1 1
7 1831 1 1 18 LYS NZ N -9.082 3.275 -8.407 1.00 . A A . 18 LYS NZ 1 1
7 1832 1 1 18 LYS O O -3.422 1.439 -9.085 1.00 . A A . 18 LYS O 1 1
7 1833 1 1 18 LYS OXT O -3.995 0.821 -11.068 1.00 . A A . 18 LYS OXT 1 1
7 1834 2 2 1 HG HG HG 0.681 -0.798 1.547 1.00 . B A . 20 HG HG 1 1
8 1835 1 1 1 THR C C 5.141 0.794 8.029 1.00 . A A . 1 THR C 1 1
8 1836 1 1 1 THR CA C 5.640 -0.536 8.598 1.00 . A A . 1 THR CA 1 1
8 1837 1 1 1 THR CB C 5.906 -0.410 10.099 1.00 . A A . 1 THR CB 1 1
8 1838 1 1 1 THR CG2 C 5.412 -1.669 10.813 1.00 . A A . 1 THR CG2 1 1
8 1839 1 1 1 THR H1 H 6.815 -1.280 7.047 1.00 . A A . 1 THR H1 1 1
8 1840 1 1 1 THR H2 H 7.433 -1.598 8.597 1.00 . A A . 1 THR H2 1 1
8 1841 1 1 1 THR H3 H 7.552 -0.038 7.936 1.00 . A A . 1 THR H3 1 1
8 1842 1 1 1 THR HA H 4.921 -1.319 8.415 1.00 . A A . 1 THR HA 1 1
8 1843 1 1 1 THR HB H 5.379 0.448 10.487 1.00 . A A . 1 THR HB 1 1
8 1844 1 1 1 THR HG1 H 7.469 0.674 10.506 1.00 . A A . 1 THR HG1 1 1
8 1845 1 1 1 THR HG21 H 5.594 -1.576 11.874 1.00 . A A . 1 THR HG21 1 1
8 1846 1 1 1 THR HG22 H 5.941 -2.530 10.431 1.00 . A A . 1 THR HG22 1 1
8 1847 1 1 1 THR HG23 H 4.353 -1.790 10.639 1.00 . A A . 1 THR HG23 1 1
8 1848 1 1 1 THR N N 6.960 -0.890 7.999 1.00 . A A . 1 THR N 1 1
8 1849 1 1 1 THR O O 5.414 1.851 8.564 1.00 . A A . 1 THR O 1 1
8 1850 1 1 1 THR OG1 O 7.300 -0.252 10.320 1.00 . A A . 1 THR OG1 1 1
8 1851 1 1 2 LEU C C 5.052 2.971 6.044 1.00 . A A . 2 LEU C 1 1
8 1852 1 1 2 LEU CA C 3.894 2.016 6.347 1.00 . A A . 2 LEU CA 1 1
8 1853 1 1 2 LEU CB C 2.974 2.612 7.413 1.00 . A A . 2 LEU CB 1 1
8 1854 1 1 2 LEU CD1 C 1.115 1.266 6.424 1.00 . A A . 2 LEU CD1 1 1
8 1855 1 1 2 LEU CD2 C 0.603 3.140 7.992 1.00 . A A . 2 LEU CD2 1 1
8 1856 1 1 2 LEU CG C 1.541 2.662 6.882 1.00 . A A . 2 LEU CG 1 1
8 1857 1 1 2 LEU H H 4.201 -0.110 6.532 1.00 . A A . 2 LEU H 1 1
8 1858 1 1 2 LEU HA H 3.333 1.806 5.451 1.00 . A A . 2 LEU HA 1 1
8 1859 1 1 2 LEU HB2 H 3.009 2.000 8.303 1.00 . A A . 2 LEU HB2 1 1
8 1860 1 1 2 LEU HB3 H 3.301 3.613 7.652 1.00 . A A . 2 LEU HB3 1 1
8 1861 1 1 2 LEU HD11 H 0.038 1.218 6.370 1.00 . A A . 2 LEU HD11 1 1
8 1862 1 1 2 LEU HD12 H 1.473 0.531 7.130 1.00 . A A . 2 LEU HD12 1 1
8 1863 1 1 2 LEU HD13 H 1.534 1.063 5.450 1.00 . A A . 2 LEU HD13 1 1
8 1864 1 1 2 LEU HD21 H -0.401 3.226 7.604 1.00 . A A . 2 LEU HD21 1 1
8 1865 1 1 2 LEU HD22 H 0.934 4.103 8.352 1.00 . A A . 2 LEU HD22 1 1
8 1866 1 1 2 LEU HD23 H 0.616 2.429 8.805 1.00 . A A . 2 LEU HD23 1 1
8 1867 1 1 2 LEU HG H 1.490 3.345 6.046 1.00 . A A . 2 LEU HG 1 1
8 1868 1 1 2 LEU N N 4.411 0.752 6.948 1.00 . A A . 2 LEU N 1 1
8 1869 1 1 2 LEU O O 6.204 2.656 6.267 1.00 . A A . 2 LEU O 1 1
8 1870 1 1 3 ALA C C 6.763 4.552 4.139 1.00 . A A . 3 ALA C 1 1
8 1871 1 1 3 ALA CA C 5.837 5.113 5.222 1.00 . A A . 3 ALA CA 1 1
8 1872 1 1 3 ALA CB C 6.598 5.300 6.535 1.00 . A A . 3 ALA CB 1 1
8 1873 1 1 3 ALA H H 3.818 4.371 5.368 1.00 . A A . 3 ALA H 1 1
8 1874 1 1 3 ALA HA H 5.414 6.054 4.905 1.00 . A A . 3 ALA HA 1 1
8 1875 1 1 3 ALA HB1 H 6.102 4.748 7.319 1.00 . A A . 3 ALA HB1 1 1
8 1876 1 1 3 ALA HB2 H 6.621 6.349 6.791 1.00 . A A . 3 ALA HB2 1 1
8 1877 1 1 3 ALA HB3 H 7.608 4.935 6.420 1.00 . A A . 3 ALA HB3 1 1
8 1878 1 1 3 ALA N N 4.754 4.137 5.538 1.00 . A A . 3 ALA N 1 1
8 1879 1 1 3 ALA O O 7.969 4.542 4.285 1.00 . A A . 3 ALA O 1 1
8 1880 1 1 4 VAL C C 6.464 3.894 0.595 1.00 . A A . 4 VAL C 1 1
8 1881 1 1 4 VAL CA C 7.058 3.533 1.959 1.00 . A A . 4 VAL CA 1 1
8 1882 1 1 4 VAL CB C 7.038 2.019 2.168 1.00 . A A . 4 VAL CB 1 1
8 1883 1 1 4 VAL CG1 C 5.604 1.504 2.036 1.00 . A A . 4 VAL CG1 1 1
8 1884 1 1 4 VAL CG2 C 7.919 1.348 1.111 1.00 . A A . 4 VAL CG2 1 1
8 1885 1 1 4 VAL H H 5.234 4.109 2.953 1.00 . A A . 4 VAL H 1 1
8 1886 1 1 4 VAL HA H 8.068 3.903 2.040 1.00 . A A . 4 VAL HA 1 1
8 1887 1 1 4 VAL HB H 7.415 1.787 3.154 1.00 . A A . 4 VAL HB 1 1
8 1888 1 1 4 VAL HG11 H 5.155 1.912 1.143 1.00 . A A . 4 VAL HG11 1 1
8 1889 1 1 4 VAL HG12 H 5.031 1.808 2.899 1.00 . A A . 4 VAL HG12 1 1
8 1890 1 1 4 VAL HG13 H 5.614 0.425 1.973 1.00 . A A . 4 VAL HG13 1 1
8 1891 1 1 4 VAL HG21 H 7.643 0.308 1.020 1.00 . A A . 4 VAL HG21 1 1
8 1892 1 1 4 VAL HG22 H 8.955 1.420 1.406 1.00 . A A . 4 VAL HG22 1 1
8 1893 1 1 4 VAL HG23 H 7.780 1.841 0.161 1.00 . A A . 4 VAL HG23 1 1
8 1894 1 1 4 VAL N N 6.209 4.089 3.052 1.00 . A A . 4 VAL N 1 1
8 1895 1 1 4 VAL O O 5.260 3.910 0.428 1.00 . A A . 4 VAL O 1 1
8 1896 1 1 5 PRO C C 6.374 3.305 -2.446 1.00 . A A . 5 PRO C 1 1
8 1897 1 1 5 PRO CA C 6.893 4.539 -1.705 1.00 . A A . 5 PRO CA 1 1
8 1898 1 1 5 PRO CB C 8.165 5.072 -2.359 1.00 . A A . 5 PRO CB 1 1
8 1899 1 1 5 PRO CD C 8.795 4.173 -0.207 1.00 . A A . 5 PRO CD 1 1
8 1900 1 1 5 PRO CG C 9.286 4.426 -1.610 1.00 . A A . 5 PRO CG 1 1
8 1901 1 1 5 PRO HA H 6.142 5.311 -1.671 1.00 . A A . 5 PRO HA 1 1
8 1902 1 1 5 PRO HB2 H 8.195 4.791 -3.404 1.00 . A A . 5 PRO HB2 1 1
8 1903 1 1 5 PRO HB3 H 8.221 6.144 -2.255 1.00 . A A . 5 PRO HB3 1 1
8 1904 1 1 5 PRO HD2 H 9.148 3.214 0.149 1.00 . A A . 5 PRO HD2 1 1
8 1905 1 1 5 PRO HD3 H 9.110 4.964 0.455 1.00 . A A . 5 PRO HD3 1 1
8 1906 1 1 5 PRO HG2 H 9.555 3.492 -2.084 1.00 . A A . 5 PRO HG2 1 1
8 1907 1 1 5 PRO HG3 H 10.140 5.085 -1.582 1.00 . A A . 5 PRO HG3 1 1
8 1908 1 1 5 PRO N N 7.334 4.172 -0.337 1.00 . A A . 5 PRO N 1 1
8 1909 1 1 5 PRO O O 6.820 2.198 -2.218 1.00 . A A . 5 PRO O 1 1
8 1910 1 1 6 GLY C C 3.694 1.739 -3.330 1.00 . A A . 6 GLY C 1 1
8 1911 1 1 6 GLY CA C 4.886 2.324 -4.088 1.00 . A A . 6 GLY CA 1 1
8 1912 1 1 6 GLY H H 5.087 4.387 -3.502 1.00 . A A . 6 GLY H 1 1
8 1913 1 1 6 GLY HA2 H 4.568 2.651 -5.068 1.00 . A A . 6 GLY HA2 1 1
8 1914 1 1 6 GLY HA3 H 5.649 1.568 -4.189 1.00 . A A . 6 GLY HA3 1 1
8 1915 1 1 6 GLY N N 5.433 3.486 -3.333 1.00 . A A . 6 GLY N 1 1
8 1916 1 1 6 GLY O O 2.801 1.157 -3.914 1.00 . A A . 6 GLY O 1 1
8 1917 1 1 7 MET C C 2.339 -0.145 -1.581 1.00 . A A . 7 MET C 1 1
8 1918 1 1 7 MET CA C 2.537 1.333 -1.241 1.00 . A A . 7 MET CA 1 1
8 1919 1 1 7 MET CB C 1.322 2.156 -1.669 1.00 . A A . 7 MET CB 1 1
8 1920 1 1 7 MET CE C 0.201 5.637 -2.481 1.00 . A A . 7 MET CE 1 1
8 1921 1 1 7 MET CG C 1.518 3.612 -1.244 1.00 . A A . 7 MET CG 1 1
8 1922 1 1 7 MET H H 4.402 2.353 -1.582 1.00 . A A . 7 MET H 1 1
8 1923 1 1 7 MET HA H 2.717 1.459 -0.185 1.00 . A A . 7 MET HA 1 1
8 1924 1 1 7 MET HB2 H 1.213 2.105 -2.743 1.00 . A A . 7 MET HB2 1 1
8 1925 1 1 7 MET HB3 H 0.435 1.762 -1.197 1.00 . A A . 7 MET HB3 1 1
8 1926 1 1 7 MET HE1 H 1.142 6.142 -2.308 1.00 . A A . 7 MET HE1 1 1
8 1927 1 1 7 MET HE2 H -0.596 6.363 -2.492 1.00 . A A . 7 MET HE2 1 1
8 1928 1 1 7 MET HE3 H 0.232 5.122 -3.431 1.00 . A A . 7 MET HE3 1 1
8 1929 1 1 7 MET HG2 H 1.992 3.643 -0.274 1.00 . A A . 7 MET HG2 1 1
8 1930 1 1 7 MET HG3 H 2.144 4.117 -1.966 1.00 . A A . 7 MET HG3 1 1
8 1931 1 1 7 MET N N 3.672 1.884 -2.034 1.00 . A A . 7 MET N 1 1
8 1932 1 1 7 MET O O 3.242 -0.807 -2.051 1.00 . A A . 7 MET O 1 1
8 1933 1 1 7 MET SD S -0.090 4.438 -1.157 1.00 . A A . 7 MET SD 1 1
8 1934 1 1 8 THR C C 2.013 -2.971 -1.023 1.00 . A A . 8 THR C 1 1
8 1935 1 1 8 THR CA C 0.932 -2.104 -1.675 1.00 . A A . 8 THR CA 1 1
8 1936 1 1 8 THR CB C 1.028 -2.171 -3.202 1.00 . A A . 8 THR CB 1 1
8 1937 1 1 8 THR CG2 C 1.320 -3.606 -3.646 1.00 . A A . 8 THR CG2 1 1
8 1938 1 1 8 THR H H 0.446 -0.124 -0.978 1.00 . A A . 8 THR H 1 1
8 1939 1 1 8 THR HA H -0.050 -2.410 -1.351 1.00 . A A . 8 THR HA 1 1
8 1940 1 1 8 THR HB H 1.827 -1.525 -3.538 1.00 . A A . 8 THR HB 1 1
8 1941 1 1 8 THR HG1 H -0.729 -2.517 -3.963 1.00 . A A . 8 THR HG1 1 1
8 1942 1 1 8 THR HG21 H 0.670 -3.869 -4.467 1.00 . A A . 8 THR HG21 1 1
8 1943 1 1 8 THR HG22 H 1.148 -4.281 -2.820 1.00 . A A . 8 THR HG22 1 1
8 1944 1 1 8 THR HG23 H 2.350 -3.682 -3.963 1.00 . A A . 8 THR HG23 1 1
8 1945 1 1 8 THR N N 1.167 -0.670 -1.353 1.00 . A A . 8 THR N 1 1
8 1946 1 1 8 THR O O 2.977 -3.354 -1.657 1.00 . A A . 8 THR O 1 1
8 1947 1 1 8 THR OG1 O -0.201 -1.739 -3.770 1.00 . A A . 8 THR OG1 1 1
8 1948 1 1 9 CYS C C 2.290 -4.894 2.080 1.00 . A A . 9 CYS C 1 1
8 1949 1 1 9 CYS CA C 2.895 -4.122 0.913 1.00 . A A . 9 CYS CA 1 1
8 1950 1 1 9 CYS CB C 3.954 -3.136 1.405 1.00 . A A . 9 CYS CB 1 1
8 1951 1 1 9 CYS H H 1.084 -2.965 0.734 1.00 . A A . 9 CYS H 1 1
8 1952 1 1 9 CYS HA H 3.332 -4.800 0.223 1.00 . A A . 9 CYS HA 1 1
8 1953 1 1 9 CYS HB2 H 4.682 -3.668 1.985 1.00 . A A . 9 CYS HB2 1 1
8 1954 1 1 9 CYS HB3 H 4.436 -2.673 0.557 1.00 . A A . 9 CYS HB3 1 1
8 1955 1 1 9 CYS N N 1.866 -3.283 0.236 1.00 . A A . 9 CYS N 1 1
8 1956 1 1 9 CYS O O 2.674 -4.701 3.214 1.00 . A A . 9 CYS O 1 1
8 1957 1 1 9 CYS SG S 3.204 -1.861 2.444 1.00 . A A . 9 CYS SG 1 1
8 1958 1 1 10 ALA C C 0.409 -5.485 4.042 1.00 . A A . 10 ALA C 1 1
8 1959 1 1 10 ALA CA C 0.709 -6.506 2.953 1.00 . A A . 10 ALA CA 1 1
8 1960 1 1 10 ALA CB C 1.762 -7.514 3.419 1.00 . A A . 10 ALA CB 1 1
8 1961 1 1 10 ALA H H 1.028 -5.901 0.904 1.00 . A A . 10 ALA H 1 1
8 1962 1 1 10 ALA HA H -0.191 -7.008 2.633 1.00 . A A . 10 ALA HA 1 1
8 1963 1 1 10 ALA HB1 H 1.591 -7.760 4.457 1.00 . A A . 10 ALA HB1 1 1
8 1964 1 1 10 ALA HB2 H 2.746 -7.085 3.308 1.00 . A A . 10 ALA HB2 1 1
8 1965 1 1 10 ALA HB3 H 1.691 -8.410 2.820 1.00 . A A . 10 ALA HB3 1 1
8 1966 1 1 10 ALA N N 1.337 -5.761 1.823 1.00 . A A . 10 ALA N 1 1
8 1967 1 1 10 ALA O O 0.420 -5.768 5.224 1.00 . A A . 10 ALA O 1 1
8 1968 1 1 11 ALA C C -1.151 -2.249 3.957 1.00 . A A . 11 ALA C 1 1
8 1969 1 1 11 ALA CA C -0.078 -3.162 4.546 1.00 . A A . 11 ALA CA 1 1
8 1970 1 1 11 ALA CB C 1.262 -2.434 4.609 1.00 . A A . 11 ALA CB 1 1
8 1971 1 1 11 ALA H H 0.210 -4.093 2.658 1.00 . A A . 11 ALA H 1 1
8 1972 1 1 11 ALA HA H -0.359 -3.523 5.521 1.00 . A A . 11 ALA HA 1 1
8 1973 1 1 11 ALA HB1 H 1.452 -2.105 5.614 1.00 . A A . 11 ALA HB1 1 1
8 1974 1 1 11 ALA HB2 H 1.237 -1.582 3.945 1.00 . A A . 11 ALA HB2 1 1
8 1975 1 1 11 ALA HB3 H 2.049 -3.104 4.294 1.00 . A A . 11 ALA HB3 1 1
8 1976 1 1 11 ALA N N 0.183 -4.275 3.614 1.00 . A A . 11 ALA N 1 1
8 1977 1 1 11 ALA O O -2.152 -1.966 4.586 1.00 . A A . 11 ALA O 1 1
8 1978 1 1 12 CYS C C -2.185 -1.145 0.647 1.00 . A A . 12 CYS C 1 1
8 1979 1 1 12 CYS CA C -1.979 -0.884 2.139 1.00 . A A . 12 CYS CA 1 1
8 1980 1 1 12 CYS CB C -1.464 0.538 2.391 1.00 . A A . 12 CYS CB 1 1
8 1981 1 1 12 CYS H H -0.132 -2.019 2.252 1.00 . A A . 12 CYS H 1 1
8 1982 1 1 12 CYS HA H -2.931 -1.016 2.636 1.00 . A A . 12 CYS HA 1 1
8 1983 1 1 12 CYS HB2 H -2.282 1.236 2.310 1.00 . A A . 12 CYS HB2 1 1
8 1984 1 1 12 CYS HB3 H -1.045 0.594 3.385 1.00 . A A . 12 CYS HB3 1 1
8 1985 1 1 12 CYS N N -0.952 -1.782 2.749 1.00 . A A . 12 CYS N 1 1
8 1986 1 1 12 CYS O O -2.467 -0.226 -0.096 1.00 . A A . 12 CYS O 1 1
8 1987 1 1 12 CYS SG S -0.188 0.962 1.177 1.00 . A A . 12 CYS SG 1 1
8 1988 1 1 13 PRO C C -3.921 -2.483 -1.327 1.00 . A A . 13 PRO C 1 1
8 1989 1 1 13 PRO CA C -2.423 -2.723 -1.146 1.00 . A A . 13 PRO CA 1 1
8 1990 1 1 13 PRO CB C -2.066 -4.202 -1.258 1.00 . A A . 13 PRO CB 1 1
8 1991 1 1 13 PRO CD C -1.808 -3.582 1.048 1.00 . A A . 13 PRO CD 1 1
8 1992 1 1 13 PRO CG C -2.185 -4.721 0.138 1.00 . A A . 13 PRO CG 1 1
8 1993 1 1 13 PRO HA H -1.838 -2.123 -1.825 1.00 . A A . 13 PRO HA 1 1
8 1994 1 1 13 PRO HB2 H -2.761 -4.709 -1.914 1.00 . A A . 13 PRO HB2 1 1
8 1995 1 1 13 PRO HB3 H -1.054 -4.322 -1.613 1.00 . A A . 13 PRO HB3 1 1
8 1996 1 1 13 PRO HD2 H -2.392 -3.611 1.958 1.00 . A A . 13 PRO HD2 1 1
8 1997 1 1 13 PRO HD3 H -0.756 -3.605 1.265 1.00 . A A . 13 PRO HD3 1 1
8 1998 1 1 13 PRO HG2 H -3.202 -5.035 0.330 1.00 . A A . 13 PRO HG2 1 1
8 1999 1 1 13 PRO HG3 H -1.506 -5.547 0.286 1.00 . A A . 13 PRO HG3 1 1
8 2000 1 1 13 PRO N N -2.130 -2.391 0.257 1.00 . A A . 13 PRO N 1 1
8 2001 1 1 13 PRO O O -4.440 -2.426 -2.423 1.00 . A A . 13 PRO O 1 1
8 2002 1 1 14 ILE C C -6.303 -0.558 -0.346 1.00 . A A . 14 ILE C 1 1
8 2003 1 1 14 ILE CA C -6.063 -2.056 -0.235 1.00 . A A . 14 ILE CA 1 1
8 2004 1 1 14 ILE CB C -6.607 -2.605 1.089 1.00 . A A . 14 ILE CB 1 1
8 2005 1 1 14 ILE CD1 C -8.908 -2.529 0.117 1.00 . A A . 14 ILE CD1 1 1
8 2006 1 1 14 ILE CG1 C -8.035 -2.096 1.297 1.00 . A A . 14 ILE CG1 1 1
8 2007 1 1 14 ILE CG2 C -5.726 -2.138 2.253 1.00 . A A . 14 ILE CG2 1 1
8 2008 1 1 14 ILE H H -4.148 -2.364 0.637 1.00 . A A . 14 ILE H 1 1
8 2009 1 1 14 ILE HA H -6.502 -2.555 -1.048 1.00 . A A . 14 ILE HA 1 1
8 2010 1 1 14 ILE HB H -6.611 -3.685 1.054 1.00 . A A . 14 ILE HB 1 1
8 2011 1 1 14 ILE HD11 H -8.969 -1.724 -0.600 1.00 . A A . 14 ILE HD11 1 1
8 2012 1 1 14 ILE HD12 H -9.899 -2.771 0.472 1.00 . A A . 14 ILE HD12 1 1
8 2013 1 1 14 ILE HD13 H -8.473 -3.398 -0.354 1.00 . A A . 14 ILE HD13 1 1
8 2014 1 1 14 ILE HG12 H -8.435 -2.509 2.212 1.00 . A A . 14 ILE HG12 1 1
8 2015 1 1 14 ILE HG13 H -8.028 -1.019 1.360 1.00 . A A . 14 ILE HG13 1 1
8 2016 1 1 14 ILE HG21 H -4.966 -2.881 2.450 1.00 . A A . 14 ILE HG21 1 1
8 2017 1 1 14 ILE HG22 H -6.333 -2.003 3.135 1.00 . A A . 14 ILE HG22 1 1
8 2018 1 1 14 ILE HG23 H -5.252 -1.201 1.994 1.00 . A A . 14 ILE HG23 1 1
8 2019 1 1 14 ILE N N -4.606 -2.322 -0.214 1.00 . A A . 14 ILE N 1 1
8 2020 1 1 14 ILE O O -7.334 -0.103 -0.800 1.00 . A A . 14 ILE O 1 1
8 2021 1 1 15 THR C C -5.043 2.060 -1.475 1.00 . A A . 15 THR C 1 1
8 2022 1 1 15 THR CA C -5.433 1.675 -0.054 1.00 . A A . 15 THR CA 1 1
8 2023 1 1 15 THR CB C -4.418 2.148 0.983 1.00 . A A . 15 THR CB 1 1
8 2024 1 1 15 THR CG2 C -3.638 3.367 0.477 1.00 . A A . 15 THR CG2 1 1
8 2025 1 1 15 THR H H -4.506 -0.207 0.374 1.00 . A A . 15 THR H 1 1
8 2026 1 1 15 THR HA H -6.426 2.016 0.188 1.00 . A A . 15 THR HA 1 1
8 2027 1 1 15 THR HB H -3.733 1.334 1.173 1.00 . A A . 15 THR HB 1 1
8 2028 1 1 15 THR HG1 H -5.319 1.667 2.639 1.00 . A A . 15 THR HG1 1 1
8 2029 1 1 15 THR HG21 H -2.709 3.042 0.035 1.00 . A A . 15 THR HG21 1 1
8 2030 1 1 15 THR HG22 H -3.431 4.030 1.304 1.00 . A A . 15 THR HG22 1 1
8 2031 1 1 15 THR HG23 H -4.227 3.889 -0.263 1.00 . A A . 15 THR HG23 1 1
8 2032 1 1 15 THR N N -5.331 0.201 0.041 1.00 . A A . 15 THR N 1 1
8 2033 1 1 15 THR O O -5.828 2.596 -2.231 1.00 . A A . 15 THR O 1 1
8 2034 1 1 15 THR OG1 O -5.097 2.484 2.185 1.00 . A A . 15 THR OG1 1 1
8 2035 1 1 16 VAL C C -3.744 0.748 -4.076 1.00 . A A . 16 VAL C 1 1
8 2036 1 1 16 VAL CA C -3.401 1.985 -3.245 1.00 . A A . 16 VAL CA 1 1
8 2037 1 1 16 VAL CB C -1.888 2.180 -3.157 1.00 . A A . 16 VAL CB 1 1
8 2038 1 1 16 VAL CG1 C -1.236 0.883 -2.673 1.00 . A A . 16 VAL CG1 1 1
8 2039 1 1 16 VAL CG2 C -1.338 2.540 -4.539 1.00 . A A . 16 VAL CG2 1 1
8 2040 1 1 16 VAL H H -3.254 1.245 -1.237 1.00 . A A . 16 VAL H 1 1
8 2041 1 1 16 VAL HA H -3.879 2.866 -3.645 1.00 . A A . 16 VAL HA 1 1
8 2042 1 1 16 VAL HB H -1.667 2.975 -2.460 1.00 . A A . 16 VAL HB 1 1
8 2043 1 1 16 VAL HG11 H -1.723 0.039 -3.138 1.00 . A A . 16 VAL HG11 1 1
8 2044 1 1 16 VAL HG12 H -1.336 0.809 -1.600 1.00 . A A . 16 VAL HG12 1 1
8 2045 1 1 16 VAL HG13 H -0.189 0.885 -2.937 1.00 . A A . 16 VAL HG13 1 1
8 2046 1 1 16 VAL HG21 H -0.347 2.126 -4.651 1.00 . A A . 16 VAL HG21 1 1
8 2047 1 1 16 VAL HG22 H -1.292 3.615 -4.639 1.00 . A A . 16 VAL HG22 1 1
8 2048 1 1 16 VAL HG23 H -1.986 2.136 -5.302 1.00 . A A . 16 VAL HG23 1 1
8 2049 1 1 16 VAL N N -3.846 1.721 -1.856 1.00 . A A . 16 VAL N 1 1
8 2050 1 1 16 VAL O O -2.997 0.331 -4.938 1.00 . A A . 16 VAL O 1 1
8 2051 1 1 17 LYS C C -5.559 -0.789 -5.988 1.00 . A A . 17 LYS C 1 1
8 2052 1 1 17 LYS CA C -5.276 -1.088 -4.522 1.00 . A A . 17 LYS CA 1 1
8 2053 1 1 17 LYS CB C -6.542 -1.576 -3.814 1.00 . A A . 17 LYS CB 1 1
8 2054 1 1 17 LYS CD C -8.469 -3.047 -4.414 1.00 . A A . 17 LYS CD 1 1
8 2055 1 1 17 LYS CE C -8.922 -4.328 -3.709 1.00 . A A . 17 LYS CE 1 1
8 2056 1 1 17 LYS CG C -6.943 -2.947 -4.364 1.00 . A A . 17 LYS CG 1 1
8 2057 1 1 17 LYS H H -5.443 0.487 -3.078 1.00 . A A . 17 LYS H 1 1
8 2058 1 1 17 LYS HA H -4.507 -1.815 -4.441 1.00 . A A . 17 LYS HA 1 1
8 2059 1 1 17 LYS HB2 H -6.354 -1.654 -2.753 1.00 . A A . 17 LYS HB2 1 1
8 2060 1 1 17 LYS HB3 H -7.343 -0.874 -3.986 1.00 . A A . 17 LYS HB3 1 1
8 2061 1 1 17 LYS HD2 H -8.901 -2.190 -3.919 1.00 . A A . 17 LYS HD2 1 1
8 2062 1 1 17 LYS HD3 H -8.795 -3.070 -5.443 1.00 . A A . 17 LYS HD3 1 1
8 2063 1 1 17 LYS HE2 H -8.174 -5.101 -3.818 1.00 . A A . 17 LYS HE2 1 1
8 2064 1 1 17 LYS HE3 H -9.116 -4.134 -2.665 1.00 . A A . 17 LYS HE3 1 1
8 2065 1 1 17 LYS HG2 H -6.540 -3.067 -5.359 1.00 . A A . 17 LYS HG2 1 1
8 2066 1 1 17 LYS HG3 H -6.554 -3.722 -3.721 1.00 . A A . 17 LYS HG3 1 1
8 2067 1 1 17 LYS HZ1 H -10.630 -5.506 -3.879 1.00 . A A . 17 LYS HZ1 1 1
8 2068 1 1 17 LYS HZ2 H -9.968 -5.026 -5.368 1.00 . A A . 17 LYS HZ2 1 1
8 2069 1 1 17 LYS HZ3 H -10.834 -3.912 -4.422 1.00 . A A . 17 LYS HZ3 1 1
8 2070 1 1 17 LYS N N -4.871 0.142 -3.790 1.00 . A A . 17 LYS N 1 1
8 2071 1 1 17 LYS NZ N -10.184 -4.722 -4.397 1.00 . A A . 17 LYS NZ 1 1
8 2072 1 1 17 LYS O O -5.822 -1.672 -6.780 1.00 . A A . 17 LYS O 1 1
8 2073 1 1 18 LYS C C -7.214 0.528 -8.133 1.00 . A A . 18 LYS C 1 1
8 2074 1 1 18 LYS CA C -5.761 0.832 -7.758 1.00 . A A . 18 LYS CA 1 1
8 2075 1 1 18 LYS CB C -4.800 -0.019 -8.589 1.00 . A A . 18 LYS CB 1 1
8 2076 1 1 18 LYS CD C -3.792 0.330 -10.851 1.00 . A A . 18 LYS CD 1 1
8 2077 1 1 18 LYS CE C -2.595 0.969 -11.561 1.00 . A A . 18 LYS CE 1 1
8 2078 1 1 18 LYS CG C -3.909 0.896 -9.434 1.00 . A A . 18 LYS CG 1 1
8 2079 1 1 18 LYS H H -5.289 1.127 -5.684 1.00 . A A . 18 LYS H 1 1
8 2080 1 1 18 LYS HA H -5.544 1.873 -7.899 1.00 . A A . 18 LYS HA 1 1
8 2081 1 1 18 LYS HB2 H -4.184 -0.614 -7.929 1.00 . A A . 18 LYS HB2 1 1
8 2082 1 1 18 LYS HB3 H -5.364 -0.669 -9.240 1.00 . A A . 18 LYS HB3 1 1
8 2083 1 1 18 LYS HD2 H -3.652 -0.740 -10.800 1.00 . A A . 18 LYS HD2 1 1
8 2084 1 1 18 LYS HD3 H -4.694 0.550 -11.402 1.00 . A A . 18 LYS HD3 1 1
8 2085 1 1 18 LYS HE2 H -2.270 1.851 -11.027 1.00 . A A . 18 LYS HE2 1 1
8 2086 1 1 18 LYS HE3 H -1.787 0.260 -11.649 1.00 . A A . 18 LYS HE3 1 1
8 2087 1 1 18 LYS HG2 H -4.344 1.884 -9.474 1.00 . A A . 18 LYS HG2 1 1
8 2088 1 1 18 LYS HG3 H -2.927 0.953 -8.989 1.00 . A A . 18 LYS HG3 1 1
8 2089 1 1 18 LYS HZ1 H -3.825 2.076 -12.824 1.00 . A A . 18 LYS HZ1 1 1
8 2090 1 1 18 LYS HZ2 H -3.520 0.494 -13.364 1.00 . A A . 18 LYS HZ2 1 1
8 2091 1 1 18 LYS HZ3 H -2.317 1.686 -13.495 1.00 . A A . 18 LYS HZ3 1 1
8 2092 1 1 18 LYS N N -5.504 0.448 -6.347 1.00 . A A . 18 LYS N 1 1
8 2093 1 1 18 LYS NZ N -3.102 1.334 -12.913 1.00 . A A . 18 LYS NZ 1 1
8 2094 1 1 18 LYS O O -7.487 0.405 -9.316 1.00 . A A . 18 LYS O 1 1
8 2095 1 1 18 LYS OXT O -8.029 0.425 -7.232 1.00 . A A . 18 LYS OXT 1 1
8 2096 2 2 1 HG HG HG 1.558 -0.553 1.450 1.00 . B A . 20 HG HG 1 1
9 2097 1 1 1 THR C C 4.301 6.360 3.432 1.00 . A A . 1 THR C 1 1
9 2098 1 1 1 THR CA C 4.680 6.711 4.873 1.00 . A A . 1 THR CA 1 1
9 2099 1 1 1 THR CB C 4.288 5.578 5.822 1.00 . A A . 1 THR CB 1 1
9 2100 1 1 1 THR CG2 C 4.721 4.238 5.228 1.00 . A A . 1 THR CG2 1 1
9 2101 1 1 1 THR H1 H 3.895 8.621 4.595 1.00 . A A . 1 THR H1 1 1
9 2102 1 1 1 THR H2 H 4.332 8.277 6.201 1.00 . A A . 1 THR H2 1 1
9 2103 1 1 1 THR H3 H 2.919 7.604 5.538 1.00 . A A . 1 THR H3 1 1
9 2104 1 1 1 THR HA H 5.738 6.906 4.948 1.00 . A A . 1 THR HA 1 1
9 2105 1 1 1 THR HB H 3.217 5.577 5.960 1.00 . A A . 1 THR HB 1 1
9 2106 1 1 1 THR HG1 H 5.085 4.908 7.464 1.00 . A A . 1 THR HG1 1 1
9 2107 1 1 1 THR HG21 H 5.273 3.678 5.968 1.00 . A A . 1 THR HG21 1 1
9 2108 1 1 1 THR HG22 H 5.349 4.412 4.366 1.00 . A A . 1 THR HG22 1 1
9 2109 1 1 1 THR HG23 H 3.848 3.677 4.929 1.00 . A A . 1 THR HG23 1 1
9 2110 1 1 1 THR N N 3.897 7.893 5.337 1.00 . A A . 1 THR N 1 1
9 2111 1 1 1 THR O O 3.142 6.195 3.107 1.00 . A A . 1 THR O 1 1
9 2112 1 1 1 THR OG1 O 4.927 5.772 7.076 1.00 . A A . 1 THR OG1 1 1
9 2113 1 1 2 LEU C C 5.708 4.630 0.734 1.00 . A A . 2 LEU C 1 1
9 2114 1 1 2 LEU CA C 4.962 5.902 1.147 1.00 . A A . 2 LEU CA 1 1
9 2115 1 1 2 LEU CB C 5.453 7.101 0.336 1.00 . A A . 2 LEU CB 1 1
9 2116 1 1 2 LEU CD1 C 4.779 8.864 -1.300 1.00 . A A . 2 LEU CD1 1 1
9 2117 1 1 2 LEU CD2 C 4.050 6.498 -1.640 1.00 . A A . 2 LEU CD2 1 1
9 2118 1 1 2 LEU CG C 4.339 7.579 -0.596 1.00 . A A . 2 LEU CG 1 1
9 2119 1 1 2 LEU H H 6.198 6.379 2.847 1.00 . A A . 2 LEU H 1 1
9 2120 1 1 2 LEU HA H 3.899 5.777 1.012 1.00 . A A . 2 LEU HA 1 1
9 2121 1 1 2 LEU HB2 H 5.730 7.901 1.008 1.00 . A A . 2 LEU HB2 1 1
9 2122 1 1 2 LEU HB3 H 6.311 6.811 -0.252 1.00 . A A . 2 LEU HB3 1 1
9 2123 1 1 2 LEU HD11 H 5.040 8.642 -2.324 1.00 . A A . 2 LEU HD11 1 1
9 2124 1 1 2 LEU HD12 H 5.636 9.278 -0.790 1.00 . A A . 2 LEU HD12 1 1
9 2125 1 1 2 LEU HD13 H 3.970 9.580 -1.281 1.00 . A A . 2 LEU HD13 1 1
9 2126 1 1 2 LEU HD21 H 3.429 5.730 -1.201 1.00 . A A . 2 LEU HD21 1 1
9 2127 1 1 2 LEU HD22 H 4.979 6.062 -1.974 1.00 . A A . 2 LEU HD22 1 1
9 2128 1 1 2 LEU HD23 H 3.536 6.938 -2.482 1.00 . A A . 2 LEU HD23 1 1
9 2129 1 1 2 LEU HG H 3.446 7.773 -0.018 1.00 . A A . 2 LEU HG 1 1
9 2130 1 1 2 LEU N N 5.269 6.243 2.565 1.00 . A A . 2 LEU N 1 1
9 2131 1 1 2 LEU O O 6.164 4.502 -0.384 1.00 . A A . 2 LEU O 1 1
9 2132 1 1 3 ALA C C 6.433 1.427 2.444 1.00 . A A . 3 ALA C 1 1
9 2133 1 1 3 ALA CA C 6.549 2.426 1.289 1.00 . A A . 3 ALA CA 1 1
9 2134 1 1 3 ALA CB C 8.006 2.838 1.080 1.00 . A A . 3 ALA CB 1 1
9 2135 1 1 3 ALA H H 5.457 3.812 2.526 1.00 . A A . 3 ALA H 1 1
9 2136 1 1 3 ALA HA H 6.152 2.000 0.381 1.00 . A A . 3 ALA HA 1 1
9 2137 1 1 3 ALA HB1 H 8.232 2.840 0.024 1.00 . A A . 3 ALA HB1 1 1
9 2138 1 1 3 ALA HB2 H 8.655 2.137 1.586 1.00 . A A . 3 ALA HB2 1 1
9 2139 1 1 3 ALA HB3 H 8.162 3.827 1.484 1.00 . A A . 3 ALA HB3 1 1
9 2140 1 1 3 ALA N N 5.834 3.689 1.629 1.00 . A A . 3 ALA N 1 1
9 2141 1 1 3 ALA O O 7.144 1.514 3.425 1.00 . A A . 3 ALA O 1 1
9 2142 1 1 4 VAL C C 6.055 -1.839 3.027 1.00 . A A . 4 VAL C 1 1
9 2143 1 1 4 VAL CA C 5.384 -0.523 3.428 1.00 . A A . 4 VAL CA 1 1
9 2144 1 1 4 VAL CB C 3.872 -0.706 3.570 1.00 . A A . 4 VAL CB 1 1
9 2145 1 1 4 VAL CG1 C 3.240 0.608 4.033 1.00 . A A . 4 VAL CG1 1 1
9 2146 1 1 4 VAL CG2 C 3.279 -1.105 2.217 1.00 . A A . 4 VAL CG2 1 1
9 2147 1 1 4 VAL H H 4.977 0.425 1.534 1.00 . A A . 4 VAL H 1 1
9 2148 1 1 4 VAL HA H 5.800 -0.148 4.349 1.00 . A A . 4 VAL HA 1 1
9 2149 1 1 4 VAL HB H 3.668 -1.478 4.296 1.00 . A A . 4 VAL HB 1 1
9 2150 1 1 4 VAL HG11 H 3.660 1.428 3.469 1.00 . A A . 4 VAL HG11 1 1
9 2151 1 1 4 VAL HG12 H 3.442 0.754 5.084 1.00 . A A . 4 VAL HG12 1 1
9 2152 1 1 4 VAL HG13 H 2.173 0.571 3.873 1.00 . A A . 4 VAL HG13 1 1
9 2153 1 1 4 VAL HG21 H 4.076 -1.232 1.498 1.00 . A A . 4 VAL HG21 1 1
9 2154 1 1 4 VAL HG22 H 2.606 -0.332 1.876 1.00 . A A . 4 VAL HG22 1 1
9 2155 1 1 4 VAL HG23 H 2.738 -2.034 2.321 1.00 . A A . 4 VAL HG23 1 1
9 2156 1 1 4 VAL N N 5.542 0.479 2.335 1.00 . A A . 4 VAL N 1 1
9 2157 1 1 4 VAL O O 6.378 -2.042 1.874 1.00 . A A . 4 VAL O 1 1
9 2158 1 1 5 PRO C C 5.958 -4.873 2.868 1.00 . A A . 5 PRO C 1 1
9 2159 1 1 5 PRO CA C 6.879 -4.010 3.731 1.00 . A A . 5 PRO CA 1 1
9 2160 1 1 5 PRO CB C 7.064 -4.606 5.126 1.00 . A A . 5 PRO CB 1 1
9 2161 1 1 5 PRO CD C 5.878 -2.536 5.407 1.00 . A A . 5 PRO CD 1 1
9 2162 1 1 5 PRO CG C 6.036 -3.925 5.969 1.00 . A A . 5 PRO CG 1 1
9 2163 1 1 5 PRO HA H 7.837 -3.879 3.254 1.00 . A A . 5 PRO HA 1 1
9 2164 1 1 5 PRO HB2 H 6.891 -5.674 5.104 1.00 . A A . 5 PRO HB2 1 1
9 2165 1 1 5 PRO HB3 H 8.052 -4.390 5.501 1.00 . A A . 5 PRO HB3 1 1
9 2166 1 1 5 PRO HD2 H 4.856 -2.201 5.508 1.00 . A A . 5 PRO HD2 1 1
9 2167 1 1 5 PRO HD3 H 6.556 -1.850 5.891 1.00 . A A . 5 PRO HD3 1 1
9 2168 1 1 5 PRO HG2 H 5.097 -4.460 5.913 1.00 . A A . 5 PRO HG2 1 1
9 2169 1 1 5 PRO HG3 H 6.372 -3.868 6.992 1.00 . A A . 5 PRO HG3 1 1
9 2170 1 1 5 PRO N N 6.241 -2.696 3.995 1.00 . A A . 5 PRO N 1 1
9 2171 1 1 5 PRO O O 5.544 -5.947 3.256 1.00 . A A . 5 PRO O 1 1
9 2172 1 1 6 GLY C C 4.014 -4.197 -0.140 1.00 . A A . 6 GLY C 1 1
9 2173 1 1 6 GLY CA C 4.737 -5.169 0.792 1.00 . A A . 6 GLY CA 1 1
9 2174 1 1 6 GLY H H 5.980 -3.527 1.411 1.00 . A A . 6 GLY H 1 1
9 2175 1 1 6 GLY HA2 H 5.324 -5.864 0.209 1.00 . A A . 6 GLY HA2 1 1
9 2176 1 1 6 GLY HA3 H 4.010 -5.710 1.378 1.00 . A A . 6 GLY HA3 1 1
9 2177 1 1 6 GLY N N 5.634 -4.399 1.696 1.00 . A A . 6 GLY N 1 1
9 2178 1 1 6 GLY O O 4.521 -3.140 -0.463 1.00 . A A . 6 GLY O 1 1
9 2179 1 1 7 MET C C 0.767 -4.283 -1.910 1.00 . A A . 7 MET C 1 1
9 2180 1 1 7 MET CA C 2.082 -3.625 -1.480 1.00 . A A . 7 MET CA 1 1
9 2181 1 1 7 MET CB C 3.001 -3.421 -2.685 1.00 . A A . 7 MET CB 1 1
9 2182 1 1 7 MET CE C 4.639 -6.006 -5.301 1.00 . A A . 7 MET CE 1 1
9 2183 1 1 7 MET CG C 3.559 -4.771 -3.137 1.00 . A A . 7 MET CG 1 1
9 2184 1 1 7 MET H H 2.437 -5.392 -0.300 1.00 . A A . 7 MET H 1 1
9 2185 1 1 7 MET HA H 1.894 -2.679 -0.993 1.00 . A A . 7 MET HA 1 1
9 2186 1 1 7 MET HB2 H 2.440 -2.973 -3.493 1.00 . A A . 7 MET HB2 1 1
9 2187 1 1 7 MET HB3 H 3.818 -2.771 -2.409 1.00 . A A . 7 MET HB3 1 1
9 2188 1 1 7 MET HE1 H 5.215 -6.188 -4.405 1.00 . A A . 7 MET HE1 1 1
9 2189 1 1 7 MET HE2 H 5.245 -5.469 -6.013 1.00 . A A . 7 MET HE2 1 1
9 2190 1 1 7 MET HE3 H 4.329 -6.947 -5.734 1.00 . A A . 7 MET HE3 1 1
9 2191 1 1 7 MET HG2 H 4.630 -4.784 -2.996 1.00 . A A . 7 MET HG2 1 1
9 2192 1 1 7 MET HG3 H 3.109 -5.561 -2.552 1.00 . A A . 7 MET HG3 1 1
9 2193 1 1 7 MET N N 2.833 -4.538 -0.573 1.00 . A A . 7 MET N 1 1
9 2194 1 1 7 MET O O 0.758 -5.361 -2.471 1.00 . A A . 7 MET O 1 1
9 2195 1 1 7 MET SD S 3.176 -5.025 -4.888 1.00 . A A . 7 MET SD 1 1
9 2196 1 1 8 THR C C -1.689 -5.730 -1.693 1.00 . A A . 8 THR C 1 1
9 2197 1 1 8 THR CA C -1.651 -4.242 -2.052 1.00 . A A . 8 THR CA 1 1
9 2198 1 1 8 THR CB C -1.721 -4.054 -3.567 1.00 . A A . 8 THR CB 1 1
9 2199 1 1 8 THR CG2 C -2.881 -4.874 -4.135 1.00 . A A . 8 THR CG2 1 1
9 2200 1 1 8 THR H H -0.318 -2.778 -1.204 1.00 . A A . 8 THR H 1 1
9 2201 1 1 8 THR HA H -2.464 -3.719 -1.577 1.00 . A A . 8 THR HA 1 1
9 2202 1 1 8 THR HB H -0.797 -4.389 -4.013 1.00 . A A . 8 THR HB 1 1
9 2203 1 1 8 THR HG1 H -2.780 -2.424 -3.520 1.00 . A A . 8 THR HG1 1 1
9 2204 1 1 8 THR HG21 H -3.353 -5.430 -3.339 1.00 . A A . 8 THR HG21 1 1
9 2205 1 1 8 THR HG22 H -2.506 -5.560 -4.881 1.00 . A A . 8 THR HG22 1 1
9 2206 1 1 8 THR HG23 H -3.603 -4.210 -4.588 1.00 . A A . 8 THR HG23 1 1
9 2207 1 1 8 THR N N -0.343 -3.647 -1.654 1.00 . A A . 8 THR N 1 1
9 2208 1 1 8 THR O O -1.425 -6.582 -2.517 1.00 . A A . 8 THR O 1 1
9 2209 1 1 8 THR OG1 O -1.920 -2.679 -3.862 1.00 . A A . 8 THR OG1 1 1
9 2210 1 1 9 CYS C C -2.977 -7.679 1.141 1.00 . A A . 9 CYS C 1 1
9 2211 1 1 9 CYS CA C -2.073 -7.485 -0.070 1.00 . A A . 9 CYS CA 1 1
9 2212 1 1 9 CYS CB C -0.631 -7.863 0.265 1.00 . A A . 9 CYS CB 1 1
9 2213 1 1 9 CYS H H -2.229 -5.350 0.181 1.00 . A A . 9 CYS H 1 1
9 2214 1 1 9 CYS HA H -2.419 -8.080 -0.877 1.00 . A A . 9 CYS HA 1 1
9 2215 1 1 9 CYS HB2 H -0.615 -8.863 0.653 1.00 . A A . 9 CYS HB2 1 1
9 2216 1 1 9 CYS HB3 H -0.027 -7.813 -0.630 1.00 . A A . 9 CYS HB3 1 1
9 2217 1 1 9 CYS N N -2.018 -6.050 -0.470 1.00 . A A . 9 CYS N 1 1
9 2218 1 1 9 CYS O O -2.529 -8.091 2.189 1.00 . A A . 9 CYS O 1 1
9 2219 1 1 9 CYS SG S 0.047 -6.747 1.514 1.00 . A A . 9 CYS SG 1 1
9 2220 1 1 10 ALA C C -4.425 -6.907 3.391 1.00 . A A . 10 ALA C 1 1
9 2221 1 1 10 ALA CA C -5.148 -7.527 2.201 1.00 . A A . 10 ALA CA 1 1
9 2222 1 1 10 ALA CB C -5.327 -9.034 2.390 1.00 . A A . 10 ALA CB 1 1
9 2223 1 1 10 ALA H H -4.599 -7.032 0.171 1.00 . A A . 10 ALA H 1 1
9 2224 1 1 10 ALA HA H -6.098 -7.044 2.030 1.00 . A A . 10 ALA HA 1 1
9 2225 1 1 10 ALA HB1 H -6.310 -9.324 2.048 1.00 . A A . 10 ALA HB1 1 1
9 2226 1 1 10 ALA HB2 H -5.222 -9.281 3.436 1.00 . A A . 10 ALA HB2 1 1
9 2227 1 1 10 ALA HB3 H -4.577 -9.560 1.818 1.00 . A A . 10 ALA HB3 1 1
9 2228 1 1 10 ALA N N -4.249 -7.375 1.020 1.00 . A A . 10 ALA N 1 1
9 2229 1 1 10 ALA O O -4.586 -7.299 4.529 1.00 . A A . 10 ALA O 1 1
9 2230 1 1 11 ALA C C -2.707 -3.786 3.806 1.00 . A A . 11 ALA C 1 1
9 2231 1 1 11 ALA CA C -2.778 -5.279 4.121 1.00 . A A . 11 ALA CA 1 1
9 2232 1 1 11 ALA CB C -1.403 -5.923 3.963 1.00 . A A . 11 ALA CB 1 1
9 2233 1 1 11 ALA H H -3.480 -5.692 2.159 1.00 . A A . 11 ALA H 1 1
9 2234 1 1 11 ALA HA H -3.170 -5.456 5.109 1.00 . A A . 11 ALA HA 1 1
9 2235 1 1 11 ALA HB1 H -0.953 -6.062 4.929 1.00 . A A . 11 ALA HB1 1 1
9 2236 1 1 11 ALA HB2 H -0.777 -5.285 3.357 1.00 . A A . 11 ALA HB2 1 1
9 2237 1 1 11 ALA HB3 H -1.512 -6.881 3.474 1.00 . A A . 11 ALA HB3 1 1
9 2238 1 1 11 ALA N N -3.590 -5.953 3.090 1.00 . A A . 11 ALA N 1 1
9 2239 1 1 11 ALA O O -3.049 -2.953 4.622 1.00 . A A . 11 ALA O 1 1
9 2240 1 1 12 CYS C C -2.618 -1.697 0.832 1.00 . A A . 12 CYS C 1 1
9 2241 1 1 12 CYS CA C -2.191 -1.985 2.271 1.00 . A A . 12 CYS CA 1 1
9 2242 1 1 12 CYS CB C -0.729 -1.588 2.501 1.00 . A A . 12 CYS CB 1 1
9 2243 1 1 12 CYS H H -1.996 -4.127 1.969 1.00 . A A . 12 CYS H 1 1
9 2244 1 1 12 CYS HA H -2.828 -1.410 2.929 1.00 . A A . 12 CYS HA 1 1
9 2245 1 1 12 CYS HB2 H -0.656 -0.513 2.568 1.00 . A A . 12 CYS HB2 1 1
9 2246 1 1 12 CYS HB3 H -0.379 -2.029 3.423 1.00 . A A . 12 CYS HB3 1 1
9 2247 1 1 12 CYS N N -2.269 -3.437 2.621 1.00 . A A . 12 CYS N 1 1
9 2248 1 1 12 CYS O O -2.115 -0.773 0.225 1.00 . A A . 12 CYS O 1 1
9 2249 1 1 12 CYS SG S 0.293 -2.174 1.128 1.00 . A A . 12 CYS SG 1 1
9 2250 1 1 13 PRO C C -4.828 -0.783 -0.866 1.00 . A A . 13 PRO C 1 1
9 2251 1 1 13 PRO CA C -4.117 -2.126 -0.992 1.00 . A A . 13 PRO CA 1 1
9 2252 1 1 13 PRO CB C -5.096 -3.267 -1.266 1.00 . A A . 13 PRO CB 1 1
9 2253 1 1 13 PRO CD C -4.285 -3.554 0.971 1.00 . A A . 13 PRO CD 1 1
9 2254 1 1 13 PRO CG C -5.490 -3.749 0.091 1.00 . A A . 13 PRO CG 1 1
9 2255 1 1 13 PRO HA H -3.332 -2.093 -1.730 1.00 . A A . 13 PRO HA 1 1
9 2256 1 1 13 PRO HB2 H -5.959 -2.900 -1.807 1.00 . A A . 13 PRO HB2 1 1
9 2257 1 1 13 PRO HB3 H -4.611 -4.059 -1.815 1.00 . A A . 13 PRO HB3 1 1
9 2258 1 1 13 PRO HD2 H -4.583 -3.315 1.982 1.00 . A A . 13 PRO HD2 1 1
9 2259 1 1 13 PRO HD3 H -3.658 -4.426 0.950 1.00 . A A . 13 PRO HD3 1 1
9 2260 1 1 13 PRO HG2 H -6.324 -3.169 0.462 1.00 . A A . 13 PRO HG2 1 1
9 2261 1 1 13 PRO HG3 H -5.749 -4.795 0.054 1.00 . A A . 13 PRO HG3 1 1
9 2262 1 1 13 PRO N N -3.590 -2.425 0.349 1.00 . A A . 13 PRO N 1 1
9 2263 1 1 13 PRO O O -5.130 -0.116 -1.835 1.00 . A A . 13 PRO O 1 1
9 2264 1 1 14 ILE C C -4.670 1.994 0.781 1.00 . A A . 14 ILE C 1 1
9 2265 1 1 14 ILE CA C -5.729 0.913 0.633 1.00 . A A . 14 ILE CA 1 1
9 2266 1 1 14 ILE CB C -6.499 0.713 1.941 1.00 . A A . 14 ILE CB 1 1
9 2267 1 1 14 ILE CD1 C -7.829 2.736 1.323 1.00 . A A . 14 ILE CD1 1 1
9 2268 1 1 14 ILE CG1 C -7.024 2.062 2.436 1.00 . A A . 14 ILE CG1 1 1
9 2269 1 1 14 ILE CG2 C -5.572 0.109 3.001 1.00 . A A . 14 ILE CG2 1 1
9 2270 1 1 14 ILE H H -4.799 -0.942 1.113 1.00 . A A . 14 ILE H 1 1
9 2271 1 1 14 ILE HA H -6.387 1.150 -0.150 1.00 . A A . 14 ILE HA 1 1
9 2272 1 1 14 ILE HB H -7.329 0.044 1.769 1.00 . A A . 14 ILE HB 1 1
9 2273 1 1 14 ILE HD11 H -8.595 3.360 1.760 1.00 . A A . 14 ILE HD11 1 1
9 2274 1 1 14 ILE HD12 H -8.290 1.981 0.703 1.00 . A A . 14 ILE HD12 1 1
9 2275 1 1 14 ILE HD13 H -7.171 3.344 0.720 1.00 . A A . 14 ILE HD13 1 1
9 2276 1 1 14 ILE HG12 H -7.658 1.907 3.297 1.00 . A A . 14 ILE HG12 1 1
9 2277 1 1 14 ILE HG13 H -6.193 2.694 2.709 1.00 . A A . 14 ILE HG13 1 1
9 2278 1 1 14 ILE HG21 H -5.596 -0.969 2.928 1.00 . A A . 14 ILE HG21 1 1
9 2279 1 1 14 ILE HG22 H -5.903 0.410 3.984 1.00 . A A . 14 ILE HG22 1 1
9 2280 1 1 14 ILE HG23 H -4.563 0.458 2.838 1.00 . A A . 14 ILE HG23 1 1
9 2281 1 1 14 ILE N N -5.070 -0.384 0.363 1.00 . A A . 14 ILE N 1 1
9 2282 1 1 14 ILE O O -4.904 3.162 0.544 1.00 . A A . 14 ILE O 1 1
9 2283 1 1 15 THR C C -1.618 2.629 0.004 1.00 . A A . 15 THR C 1 1
9 2284 1 1 15 THR CA C -2.383 2.546 1.325 1.00 . A A . 15 THR CA 1 1
9 2285 1 1 15 THR CB C -1.565 1.907 2.447 1.00 . A A . 15 THR CB 1 1
9 2286 1 1 15 THR CG2 C -0.065 1.940 2.133 1.00 . A A . 15 THR CG2 1 1
9 2287 1 1 15 THR H H -3.353 0.638 1.327 1.00 . A A . 15 THR H 1 1
9 2288 1 1 15 THR HA H -2.744 3.516 1.620 1.00 . A A . 15 THR HA 1 1
9 2289 1 1 15 THR HB H -1.889 0.880 2.555 1.00 . A A . 15 THR HB 1 1
9 2290 1 1 15 THR HG1 H -2.280 2.017 4.253 1.00 . A A . 15 THR HG1 1 1
9 2291 1 1 15 THR HG21 H 0.200 1.070 1.550 1.00 . A A . 15 THR HG21 1 1
9 2292 1 1 15 THR HG22 H 0.496 1.939 3.055 1.00 . A A . 15 THR HG22 1 1
9 2293 1 1 15 THR HG23 H 0.166 2.833 1.572 1.00 . A A . 15 THR HG23 1 1
9 2294 1 1 15 THR N N -3.502 1.592 1.160 1.00 . A A . 15 THR N 1 1
9 2295 1 1 15 THR O O -1.582 3.654 -0.647 1.00 . A A . 15 THR O 1 1
9 2296 1 1 15 THR OG1 O -1.808 2.607 3.660 1.00 . A A . 15 THR OG1 1 1
9 2297 1 1 16 VAL C C -1.292 1.130 -2.806 1.00 . A A . 16 VAL C 1 1
9 2298 1 1 16 VAL CA C -0.310 1.529 -1.704 1.00 . A A . 16 VAL CA 1 1
9 2299 1 1 16 VAL CB C 0.784 0.471 -1.547 1.00 . A A . 16 VAL CB 1 1
9 2300 1 1 16 VAL CG1 C 1.609 0.394 -2.832 1.00 . A A . 16 VAL CG1 1 1
9 2301 1 1 16 VAL CG2 C 1.697 0.850 -0.379 1.00 . A A . 16 VAL CG2 1 1
9 2302 1 1 16 VAL H H -1.103 0.717 0.121 1.00 . A A . 16 VAL H 1 1
9 2303 1 1 16 VAL HA H 0.125 2.495 -1.907 1.00 . A A . 16 VAL HA 1 1
9 2304 1 1 16 VAL HB H 0.329 -0.490 -1.353 1.00 . A A . 16 VAL HB 1 1
9 2305 1 1 16 VAL HG11 H 2.654 0.529 -2.598 1.00 . A A . 16 VAL HG11 1 1
9 2306 1 1 16 VAL HG12 H 1.289 1.169 -3.513 1.00 . A A . 16 VAL HG12 1 1
9 2307 1 1 16 VAL HG13 H 1.465 -0.572 -3.294 1.00 . A A . 16 VAL HG13 1 1
9 2308 1 1 16 VAL HG21 H 2.728 0.714 -0.670 1.00 . A A . 16 VAL HG21 1 1
9 2309 1 1 16 VAL HG22 H 1.477 0.220 0.470 1.00 . A A . 16 VAL HG22 1 1
9 2310 1 1 16 VAL HG23 H 1.532 1.884 -0.112 1.00 . A A . 16 VAL HG23 1 1
9 2311 1 1 16 VAL N N -1.037 1.539 -0.410 1.00 . A A . 16 VAL N 1 1
9 2312 1 1 16 VAL O O -0.953 0.419 -3.731 1.00 . A A . 16 VAL O 1 1
9 2313 1 1 17 LYS C C -3.062 1.624 -5.113 1.00 . A A . 17 LYS C 1 1
9 2314 1 1 17 LYS CA C -3.538 1.221 -3.724 1.00 . A A . 17 LYS CA 1 1
9 2315 1 1 17 LYS CB C -4.798 1.998 -3.330 1.00 . A A . 17 LYS CB 1 1
9 2316 1 1 17 LYS CD C -5.660 4.314 -2.953 1.00 . A A . 17 LYS CD 1 1
9 2317 1 1 17 LYS CE C -6.790 4.737 -3.894 1.00 . A A . 17 LYS CE 1 1
9 2318 1 1 17 LYS CG C -4.641 3.470 -3.722 1.00 . A A . 17 LYS CG 1 1
9 2319 1 1 17 LYS H H -2.769 2.141 -1.941 1.00 . A A . 17 LYS H 1 1
9 2320 1 1 17 LYS HA H -3.726 0.176 -3.691 1.00 . A A . 17 LYS HA 1 1
9 2321 1 1 17 LYS HB2 H -5.653 1.579 -3.841 1.00 . A A . 17 LYS HB2 1 1
9 2322 1 1 17 LYS HB3 H -4.945 1.927 -2.263 1.00 . A A . 17 LYS HB3 1 1
9 2323 1 1 17 LYS HD2 H -6.067 3.732 -2.138 1.00 . A A . 17 LYS HD2 1 1
9 2324 1 1 17 LYS HD3 H -5.174 5.194 -2.559 1.00 . A A . 17 LYS HD3 1 1
9 2325 1 1 17 LYS HE2 H -6.760 5.805 -4.059 1.00 . A A . 17 LYS HE2 1 1
9 2326 1 1 17 LYS HE3 H -6.719 4.208 -4.831 1.00 . A A . 17 LYS HE3 1 1
9 2327 1 1 17 LYS HG2 H -3.641 3.801 -3.480 1.00 . A A . 17 LYS HG2 1 1
9 2328 1 1 17 LYS HG3 H -4.811 3.581 -4.782 1.00 . A A . 17 LYS HG3 1 1
9 2329 1 1 17 LYS HZ1 H -7.984 4.649 -2.190 1.00 . A A . 17 LYS HZ1 1 1
9 2330 1 1 17 LYS HZ2 H -8.167 3.321 -3.234 1.00 . A A . 17 LYS HZ2 1 1
9 2331 1 1 17 LYS HZ3 H -8.854 4.822 -3.636 1.00 . A A . 17 LYS HZ3 1 1
9 2332 1 1 17 LYS N N -2.518 1.578 -2.700 1.00 . A A . 17 LYS N 1 1
9 2333 1 1 17 LYS NZ N -8.043 4.353 -3.185 1.00 . A A . 17 LYS NZ 1 1
9 2334 1 1 17 LYS O O -3.574 1.179 -6.121 1.00 . A A . 17 LYS O 1 1
9 2335 1 1 18 LYS C C -0.797 1.773 -7.161 1.00 . A A . 18 LYS C 1 1
9 2336 1 1 18 LYS CA C -1.540 2.919 -6.470 1.00 . A A . 18 LYS CA 1 1
9 2337 1 1 18 LYS CB C -0.576 4.053 -6.126 1.00 . A A . 18 LYS CB 1 1
9 2338 1 1 18 LYS CD C -1.955 5.773 -7.299 1.00 . A A . 18 LYS CD 1 1
9 2339 1 1 18 LYS CE C -1.891 6.979 -8.238 1.00 . A A . 18 LYS CE 1 1
9 2340 1 1 18 LYS CG C -0.587 5.091 -7.249 1.00 . A A . 18 LYS CG 1 1
9 2341 1 1 18 LYS H H -1.704 2.791 -4.324 1.00 . A A . 18 LYS H 1 1
9 2342 1 1 18 LYS HA H -2.334 3.288 -7.100 1.00 . A A . 18 LYS HA 1 1
9 2343 1 1 18 LYS HB2 H -0.884 4.519 -5.201 1.00 . A A . 18 LYS HB2 1 1
9 2344 1 1 18 LYS HB3 H 0.422 3.657 -6.014 1.00 . A A . 18 LYS HB3 1 1
9 2345 1 1 18 LYS HD2 H -2.694 5.073 -7.661 1.00 . A A . 18 LYS HD2 1 1
9 2346 1 1 18 LYS HD3 H -2.229 6.105 -6.308 1.00 . A A . 18 LYS HD3 1 1
9 2347 1 1 18 LYS HE2 H -1.157 6.811 -9.015 1.00 . A A . 18 LYS HE2 1 1
9 2348 1 1 18 LYS HE3 H -2.861 7.173 -8.669 1.00 . A A . 18 LYS HE3 1 1
9 2349 1 1 18 LYS HG2 H 0.179 5.830 -7.065 1.00 . A A . 18 LYS HG2 1 1
9 2350 1 1 18 LYS HG3 H -0.397 4.602 -8.193 1.00 . A A . 18 LYS HG3 1 1
9 2351 1 1 18 LYS HZ1 H -1.817 7.952 -6.400 1.00 . A A . 18 LYS HZ1 1 1
9 2352 1 1 18 LYS HZ2 H -1.896 8.999 -7.735 1.00 . A A . 18 LYS HZ2 1 1
9 2353 1 1 18 LYS HZ3 H -0.445 8.196 -7.366 1.00 . A A . 18 LYS HZ3 1 1
9 2354 1 1 18 LYS N N -2.084 2.463 -5.159 1.00 . A A . 18 LYS N 1 1
9 2355 1 1 18 LYS NZ N -1.481 8.117 -7.370 1.00 . A A . 18 LYS NZ 1 1
9 2356 1 1 18 LYS O O 0.264 2.025 -7.708 1.00 . A A . 18 LYS O 1 1
9 2357 1 1 18 LYS OXT O -1.301 0.662 -7.129 1.00 . A A . 18 LYS OXT 1 1
9 2358 2 2 1 HG HG HG 0.046 -4.484 0.983 1.00 . B A . 20 HG HG 1 1
10 2359 1 1 1 THR C C 9.237 4.167 5.571 1.00 . A A . 1 THR C 1 1
10 2360 1 1 1 THR CA C 9.009 5.631 5.959 1.00 . A A . 1 THR CA 1 1
10 2361 1 1 1 THR CB C 10.242 6.197 6.665 1.00 . A A . 1 THR CB 1 1
10 2362 1 1 1 THR CG2 C 11.328 6.503 5.633 1.00 . A A . 1 THR CG2 1 1
10 2363 1 1 1 THR H1 H 7.867 6.703 7.332 1.00 . A A . 1 THR H1 1 1
10 2364 1 1 1 THR H2 H 8.089 5.069 7.742 1.00 . A A . 1 THR H2 1 1
10 2365 1 1 1 THR H3 H 7.004 5.498 6.508 1.00 . A A . 1 THR H3 1 1
10 2366 1 1 1 THR HA H 8.780 6.221 5.086 1.00 . A A . 1 THR HA 1 1
10 2367 1 1 1 THR HB H 10.617 5.473 7.372 1.00 . A A . 1 THR HB 1 1
10 2368 1 1 1 THR HG1 H 9.378 7.938 6.748 1.00 . A A . 1 THR HG1 1 1
10 2369 1 1 1 THR HG21 H 10.875 6.922 4.747 1.00 . A A . 1 THR HG21 1 1
10 2370 1 1 1 THR HG22 H 11.847 5.592 5.376 1.00 . A A . 1 THR HG22 1 1
10 2371 1 1 1 THR HG23 H 12.029 7.212 6.048 1.00 . A A . 1 THR HG23 1 1
10 2372 1 1 1 THR N N 7.909 5.733 6.961 1.00 . A A . 1 THR N 1 1
10 2373 1 1 1 THR O O 10.272 3.808 5.047 1.00 . A A . 1 THR O 1 1
10 2374 1 1 1 THR OG1 O 9.886 7.390 7.351 1.00 . A A . 1 THR OG1 1 1
10 2375 1 1 2 LEU C C 7.240 1.399 4.651 1.00 . A A . 2 LEU C 1 1
10 2376 1 1 2 LEU CA C 8.440 1.881 5.470 1.00 . A A . 2 LEU CA 1 1
10 2377 1 1 2 LEU CB C 8.504 1.147 6.810 1.00 . A A . 2 LEU CB 1 1
10 2378 1 1 2 LEU CD1 C 9.543 1.323 9.075 1.00 . A A . 2 LEU CD1 1 1
10 2379 1 1 2 LEU CD2 C 10.968 0.844 7.081 1.00 . A A . 2 LEU CD2 1 1
10 2380 1 1 2 LEU CG C 9.740 1.606 7.585 1.00 . A A . 2 LEU CG 1 1
10 2381 1 1 2 LEU H H 7.450 3.630 6.248 1.00 . A A . 2 LEU H 1 1
10 2382 1 1 2 LEU HA H 9.356 1.728 4.923 1.00 . A A . 2 LEU HA 1 1
10 2383 1 1 2 LEU HB2 H 7.615 1.369 7.384 1.00 . A A . 2 LEU HB2 1 1
10 2384 1 1 2 LEU HB3 H 8.564 0.084 6.636 1.00 . A A . 2 LEU HB3 1 1
10 2385 1 1 2 LEU HD11 H 10.177 1.980 9.653 1.00 . A A . 2 LEU HD11 1 1
10 2386 1 1 2 LEU HD12 H 9.803 0.296 9.285 1.00 . A A . 2 LEU HD12 1 1
10 2387 1 1 2 LEU HD13 H 8.510 1.494 9.341 1.00 . A A . 2 LEU HD13 1 1
10 2388 1 1 2 LEU HD21 H 10.819 -0.216 7.228 1.00 . A A . 2 LEU HD21 1 1
10 2389 1 1 2 LEU HD22 H 11.841 1.165 7.629 1.00 . A A . 2 LEU HD22 1 1
10 2390 1 1 2 LEU HD23 H 11.109 1.044 6.029 1.00 . A A . 2 LEU HD23 1 1
10 2391 1 1 2 LEU HG H 9.885 2.666 7.436 1.00 . A A . 2 LEU HG 1 1
10 2392 1 1 2 LEU N N 8.277 3.320 5.825 1.00 . A A . 2 LEU N 1 1
10 2393 1 1 2 LEU O O 6.101 1.653 4.991 1.00 . A A . 2 LEU O 1 1
10 2394 1 1 3 ALA C C 6.793 -1.026 1.939 1.00 . A A . 3 ALA C 1 1
10 2395 1 1 3 ALA CA C 6.357 0.208 2.733 1.00 . A A . 3 ALA CA 1 1
10 2396 1 1 3 ALA CB C 6.027 1.365 1.789 1.00 . A A . 3 ALA CB 1 1
10 2397 1 1 3 ALA H H 8.410 0.511 3.316 1.00 . A A . 3 ALA H 1 1
10 2398 1 1 3 ALA HA H 5.502 -0.021 3.349 1.00 . A A . 3 ALA HA 1 1
10 2399 1 1 3 ALA HB1 H 6.874 2.032 1.727 1.00 . A A . 3 ALA HB1 1 1
10 2400 1 1 3 ALA HB2 H 5.171 1.904 2.166 1.00 . A A . 3 ALA HB2 1 1
10 2401 1 1 3 ALA HB3 H 5.803 0.975 0.807 1.00 . A A . 3 ALA HB3 1 1
10 2402 1 1 3 ALA N N 7.485 0.705 3.573 1.00 . A A . 3 ALA N 1 1
10 2403 1 1 3 ALA O O 7.574 -0.936 1.013 1.00 . A A . 3 ALA O 1 1
10 2404 1 1 4 VAL C C 6.342 -3.276 0.073 1.00 . A A . 4 VAL C 1 1
10 2405 1 1 4 VAL CA C 6.680 -3.417 1.559 1.00 . A A . 4 VAL CA 1 1
10 2406 1 1 4 VAL CB C 5.849 -4.531 2.196 1.00 . A A . 4 VAL CB 1 1
10 2407 1 1 4 VAL CG1 C 6.138 -4.590 3.697 1.00 . A A . 4 VAL CG1 1 1
10 2408 1 1 4 VAL CG2 C 4.362 -4.246 1.974 1.00 . A A . 4 VAL CG2 1 1
10 2409 1 1 4 VAL H H 5.666 -2.230 3.045 1.00 . A A . 4 VAL H 1 1
10 2410 1 1 4 VAL HA H 7.731 -3.621 1.689 1.00 . A A . 4 VAL HA 1 1
10 2411 1 1 4 VAL HB H 6.108 -5.477 1.742 1.00 . A A . 4 VAL HB 1 1
10 2412 1 1 4 VAL HG11 H 5.746 -5.511 4.102 1.00 . A A . 4 VAL HG11 1 1
10 2413 1 1 4 VAL HG12 H 5.667 -3.751 4.187 1.00 . A A . 4 VAL HG12 1 1
10 2414 1 1 4 VAL HG13 H 7.205 -4.550 3.860 1.00 . A A . 4 VAL HG13 1 1
10 2415 1 1 4 VAL HG21 H 3.929 -3.866 2.888 1.00 . A A . 4 VAL HG21 1 1
10 2416 1 1 4 VAL HG22 H 3.859 -5.159 1.690 1.00 . A A . 4 VAL HG22 1 1
10 2417 1 1 4 VAL HG23 H 4.249 -3.513 1.189 1.00 . A A . 4 VAL HG23 1 1
10 2418 1 1 4 VAL N N 6.294 -2.179 2.295 1.00 . A A . 4 VAL N 1 1
10 2419 1 1 4 VAL O O 5.581 -2.411 -0.313 1.00 . A A . 4 VAL O 1 1
10 2420 1 1 5 PRO C C 5.284 -4.645 -2.500 1.00 . A A . 5 PRO C 1 1
10 2421 1 1 5 PRO CA C 6.686 -4.119 -2.178 1.00 . A A . 5 PRO CA 1 1
10 2422 1 1 5 PRO CB C 7.758 -5.056 -2.728 1.00 . A A . 5 PRO CB 1 1
10 2423 1 1 5 PRO CD C 7.850 -5.206 -0.318 1.00 . A A . 5 PRO CD 1 1
10 2424 1 1 5 PRO CG C 8.091 -5.973 -1.594 1.00 . A A . 5 PRO CG 1 1
10 2425 1 1 5 PRO HA H 6.823 -3.126 -2.574 1.00 . A A . 5 PRO HA 1 1
10 2426 1 1 5 PRO HB2 H 7.371 -5.616 -3.568 1.00 . A A . 5 PRO HB2 1 1
10 2427 1 1 5 PRO HB3 H 8.634 -4.496 -3.019 1.00 . A A . 5 PRO HB3 1 1
10 2428 1 1 5 PRO HD2 H 7.399 -5.847 0.427 1.00 . A A . 5 PRO HD2 1 1
10 2429 1 1 5 PRO HD3 H 8.771 -4.782 0.049 1.00 . A A . 5 PRO HD3 1 1
10 2430 1 1 5 PRO HG2 H 7.453 -6.846 -1.628 1.00 . A A . 5 PRO HG2 1 1
10 2431 1 1 5 PRO HG3 H 9.127 -6.268 -1.649 1.00 . A A . 5 PRO HG3 1 1
10 2432 1 1 5 PRO N N 6.924 -4.140 -0.714 1.00 . A A . 5 PRO N 1 1
10 2433 1 1 5 PRO O O 4.929 -5.750 -2.143 1.00 . A A . 5 PRO O 1 1
10 2434 1 1 6 GLY C C 2.085 -3.422 -2.814 1.00 . A A . 6 GLY C 1 1
10 2435 1 1 6 GLY CA C 3.109 -4.316 -3.515 1.00 . A A . 6 GLY CA 1 1
10 2436 1 1 6 GLY H H 4.792 -2.972 -3.450 1.00 . A A . 6 GLY H 1 1
10 2437 1 1 6 GLY HA2 H 2.968 -4.259 -4.585 1.00 . A A . 6 GLY HA2 1 1
10 2438 1 1 6 GLY HA3 H 2.975 -5.336 -3.188 1.00 . A A . 6 GLY HA3 1 1
10 2439 1 1 6 GLY N N 4.486 -3.861 -3.172 1.00 . A A . 6 GLY N 1 1
10 2440 1 1 6 GLY O O 0.974 -3.255 -3.276 1.00 . A A . 6 GLY O 1 1
10 2441 1 1 7 MET C C 0.211 -2.731 -0.653 1.00 . A A . 7 MET C 1 1
10 2442 1 1 7 MET CA C 1.497 -1.965 -0.968 1.00 . A A . 7 MET CA 1 1
10 2443 1 1 7 MET CB C 1.216 -0.805 -1.924 1.00 . A A . 7 MET CB 1 1
10 2444 1 1 7 MET CE C 5.029 -0.353 -3.022 1.00 . A A . 7 MET CE 1 1
10 2445 1 1 7 MET CG C 2.494 0.013 -2.122 1.00 . A A . 7 MET CG 1 1
10 2446 1 1 7 MET H H 3.349 -2.998 -1.345 1.00 . A A . 7 MET H 1 1
10 2447 1 1 7 MET HA H 1.948 -1.595 -0.061 1.00 . A A . 7 MET HA 1 1
10 2448 1 1 7 MET HB2 H 0.886 -1.194 -2.876 1.00 . A A . 7 MET HB2 1 1
10 2449 1 1 7 MET HB3 H 0.448 -0.172 -1.507 1.00 . A A . 7 MET HB3 1 1
10 2450 1 1 7 MET HE1 H 5.603 -1.229 -3.295 1.00 . A A . 7 MET HE1 1 1
10 2451 1 1 7 MET HE2 H 5.020 -0.252 -1.949 1.00 . A A . 7 MET HE2 1 1
10 2452 1 1 7 MET HE3 H 5.476 0.528 -3.461 1.00 . A A . 7 MET HE3 1 1
10 2453 1 1 7 MET HG2 H 2.242 1.059 -2.209 1.00 . A A . 7 MET HG2 1 1
10 2454 1 1 7 MET HG3 H 3.148 -0.130 -1.274 1.00 . A A . 7 MET HG3 1 1
10 2455 1 1 7 MET N N 2.450 -2.848 -1.701 1.00 . A A . 7 MET N 1 1
10 2456 1 1 7 MET O O 0.200 -3.945 -0.597 1.00 . A A . 7 MET O 1 1
10 2457 1 1 7 MET SD S 3.334 -0.534 -3.629 1.00 . A A . 7 MET SD 1 1
10 2458 1 1 8 THR C C -1.966 -3.658 1.072 1.00 . A A . 8 THR C 1 1
10 2459 1 1 8 THR CA C -2.152 -2.736 -0.136 1.00 . A A . 8 THR CA 1 1
10 2460 1 1 8 THR CB C -2.464 -3.551 -1.392 1.00 . A A . 8 THR CB 1 1
10 2461 1 1 8 THR CG2 C -3.503 -4.625 -1.065 1.00 . A A . 8 THR CG2 1 1
10 2462 1 1 8 THR H H -0.849 -1.059 -0.495 1.00 . A A . 8 THR H 1 1
10 2463 1 1 8 THR HA H -2.939 -2.023 0.048 1.00 . A A . 8 THR HA 1 1
10 2464 1 1 8 THR HB H -1.561 -4.025 -1.747 1.00 . A A . 8 THR HB 1 1
10 2465 1 1 8 THR HG1 H -2.233 -2.375 -2.925 1.00 . A A . 8 THR HG1 1 1
10 2466 1 1 8 THR HG21 H -3.023 -5.592 -1.035 1.00 . A A . 8 THR HG21 1 1
10 2467 1 1 8 THR HG22 H -4.270 -4.628 -1.826 1.00 . A A . 8 THR HG22 1 1
10 2468 1 1 8 THR HG23 H -3.949 -4.414 -0.105 1.00 . A A . 8 THR HG23 1 1
10 2469 1 1 8 THR N N -0.874 -2.037 -0.446 1.00 . A A . 8 THR N 1 1
10 2470 1 1 8 THR O O -1.819 -4.856 0.932 1.00 . A A . 8 THR O 1 1
10 2471 1 1 8 THR OG1 O -2.974 -2.687 -2.399 1.00 . A A . 8 THR OG1 1 1
10 2472 1 1 9 CYS C C -2.560 -3.399 4.650 1.00 . A A . 9 CYS C 1 1
10 2473 1 1 9 CYS CA C -1.788 -3.965 3.466 1.00 . A A . 9 CYS CA 1 1
10 2474 1 1 9 CYS CB C -0.285 -3.957 3.743 1.00 . A A . 9 CYS CB 1 1
10 2475 1 1 9 CYS H H -2.087 -2.143 2.353 1.00 . A A . 9 CYS H 1 1
10 2476 1 1 9 CYS HA H -2.110 -4.957 3.269 1.00 . A A . 9 CYS HA 1 1
10 2477 1 1 9 CYS HB2 H -0.099 -4.471 4.666 1.00 . A A . 9 CYS HB2 1 1
10 2478 1 1 9 CYS HB3 H 0.233 -4.459 2.940 1.00 . A A . 9 CYS HB3 1 1
10 2479 1 1 9 CYS N N -1.968 -3.111 2.258 1.00 . A A . 9 CYS N 1 1
10 2480 1 1 9 CYS O O -1.979 -3.028 5.648 1.00 . A A . 9 CYS O 1 1
10 2481 1 1 9 CYS SG S 0.326 -2.263 3.890 1.00 . A A . 9 CYS SG 1 1
10 2482 1 1 10 ALA C C -3.918 -1.449 6.100 1.00 . A A . 10 ALA C 1 1
10 2483 1 1 10 ALA CA C -4.639 -2.726 5.687 1.00 . A A . 10 ALA CA 1 1
10 2484 1 1 10 ALA CB C -4.586 -3.773 6.800 1.00 . A A . 10 ALA CB 1 1
10 2485 1 1 10 ALA H H -4.325 -3.600 3.737 1.00 . A A . 10 ALA H 1 1
10 2486 1 1 10 ALA HA H -5.658 -2.521 5.397 1.00 . A A . 10 ALA HA 1 1
10 2487 1 1 10 ALA HB1 H -4.723 -4.757 6.375 1.00 . A A . 10 ALA HB1 1 1
10 2488 1 1 10 ALA HB2 H -5.371 -3.578 7.516 1.00 . A A . 10 ALA HB2 1 1
10 2489 1 1 10 ALA HB3 H -3.628 -3.725 7.295 1.00 . A A . 10 ALA HB3 1 1
10 2490 1 1 10 ALA N N -3.866 -3.309 4.553 1.00 . A A . 10 ALA N 1 1
10 2491 1 1 10 ALA O O -3.929 -1.034 7.242 1.00 . A A . 10 ALA O 1 1
10 2492 1 1 11 ALA C C -2.602 1.321 4.215 1.00 . A A . 11 ALA C 1 1
10 2493 1 1 11 ALA CA C -2.459 0.360 5.397 1.00 . A A . 11 ALA CA 1 1
10 2494 1 1 11 ALA CB C -1.028 -0.163 5.485 1.00 . A A . 11 ALA CB 1 1
10 2495 1 1 11 ALA H H -3.252 -1.249 4.255 1.00 . A A . 11 ALA H 1 1
10 2496 1 1 11 ALA HA H -2.746 0.831 6.323 1.00 . A A . 11 ALA HA 1 1
10 2497 1 1 11 ALA HB1 H -1.047 -1.219 5.711 1.00 . A A . 11 ALA HB1 1 1
10 2498 1 1 11 ALA HB2 H -0.496 0.360 6.258 1.00 . A A . 11 ALA HB2 1 1
10 2499 1 1 11 ALA HB3 H -0.535 -0.013 4.536 1.00 . A A . 11 ALA HB3 1 1
10 2500 1 1 11 ALA N N -3.251 -0.861 5.148 1.00 . A A . 11 ALA N 1 1
10 2501 1 1 11 ALA O O -3.044 2.442 4.367 1.00 . A A . 11 ALA O 1 1
10 2502 1 1 12 CYS C C -2.961 1.120 0.632 1.00 . A A . 12 CYS C 1 1
10 2503 1 1 12 CYS CA C -2.351 1.806 1.855 1.00 . A A . 12 CYS CA 1 1
10 2504 1 1 12 CYS CB C -0.924 2.281 1.563 1.00 . A A . 12 CYS CB 1 1
10 2505 1 1 12 CYS H H -1.868 -0.019 2.925 1.00 . A A . 12 CYS H 1 1
10 2506 1 1 12 CYS HA H -2.971 2.657 2.105 1.00 . A A . 12 CYS HA 1 1
10 2507 1 1 12 CYS HB2 H -0.958 3.176 0.961 1.00 . A A . 12 CYS HB2 1 1
10 2508 1 1 12 CYS HB3 H -0.421 2.496 2.495 1.00 . A A . 12 CYS HB3 1 1
10 2509 1 1 12 CYS N N -2.229 0.892 3.033 1.00 . A A . 12 CYS N 1 1
10 2510 1 1 12 CYS O O -2.633 1.470 -0.485 1.00 . A A . 12 CYS O 1 1
10 2511 1 1 12 CYS SG S -0.013 0.992 0.672 1.00 . A A . 12 CYS SG 1 1
10 2512 1 1 13 PRO C C -5.445 0.712 -0.894 1.00 . A A . 13 PRO C 1 1
10 2513 1 1 13 PRO CA C -4.584 -0.389 -0.280 1.00 . A A . 13 PRO CA 1 1
10 2514 1 1 13 PRO CB C -5.434 -1.485 0.359 1.00 . A A . 13 PRO CB 1 1
10 2515 1 1 13 PRO CD C -4.379 -0.275 2.142 1.00 . A A . 13 PRO CD 1 1
10 2516 1 1 13 PRO CG C -5.626 -1.031 1.769 1.00 . A A . 13 PRO CG 1 1
10 2517 1 1 13 PRO HA H -3.888 -0.798 -0.996 1.00 . A A . 13 PRO HA 1 1
10 2518 1 1 13 PRO HB2 H -6.386 -1.568 -0.148 1.00 . A A . 13 PRO HB2 1 1
10 2519 1 1 13 PRO HB3 H -4.911 -2.428 0.342 1.00 . A A . 13 PRO HB3 1 1
10 2520 1 1 13 PRO HD2 H -4.612 0.540 2.814 1.00 . A A . 13 PRO HD2 1 1
10 2521 1 1 13 PRO HD3 H -3.651 -0.937 2.576 1.00 . A A . 13 PRO HD3 1 1
10 2522 1 1 13 PRO HG2 H -6.490 -0.385 1.835 1.00 . A A . 13 PRO HG2 1 1
10 2523 1 1 13 PRO HG3 H -5.745 -1.882 2.421 1.00 . A A . 13 PRO HG3 1 1
10 2524 1 1 13 PRO N N -3.889 0.230 0.857 1.00 . A A . 13 PRO N 1 1
10 2525 1 1 13 PRO O O -5.962 0.595 -1.985 1.00 . A A . 13 PRO O 1 1
10 2526 1 1 14 ILE C C -5.459 3.913 -1.412 1.00 . A A . 14 ILE C 1 1
10 2527 1 1 14 ILE CA C -6.366 2.958 -0.647 1.00 . A A . 14 ILE CA 1 1
10 2528 1 1 14 ILE CB C -6.926 3.617 0.621 1.00 . A A . 14 ILE CB 1 1
10 2529 1 1 14 ILE CD1 C -6.423 5.193 2.496 1.00 . A A . 14 ILE CD1 1 1
10 2530 1 1 14 ILE CG1 C -5.832 4.453 1.295 1.00 . A A . 14 ILE CG1 1 1
10 2531 1 1 14 ILE CG2 C -7.404 2.536 1.595 1.00 . A A . 14 ILE CG2 1 1
10 2532 1 1 14 ILE H H -5.140 1.861 0.696 1.00 . A A . 14 ILE H 1 1
10 2533 1 1 14 ILE HA H -7.147 2.624 -1.263 1.00 . A A . 14 ILE HA 1 1
10 2534 1 1 14 ILE HB H -7.757 4.255 0.356 1.00 . A A . 14 ILE HB 1 1
10 2535 1 1 14 ILE HD11 H -5.651 5.777 2.974 1.00 . A A . 14 ILE HD11 1 1
10 2536 1 1 14 ILE HD12 H -6.821 4.478 3.200 1.00 . A A . 14 ILE HD12 1 1
10 2537 1 1 14 ILE HD13 H -7.214 5.848 2.162 1.00 . A A . 14 ILE HD13 1 1
10 2538 1 1 14 ILE HG12 H -5.037 3.802 1.628 1.00 . A A . 14 ILE HG12 1 1
10 2539 1 1 14 ILE HG13 H -5.440 5.170 0.590 1.00 . A A . 14 ILE HG13 1 1
10 2540 1 1 14 ILE HG21 H -7.909 1.755 1.047 1.00 . A A . 14 ILE HG21 1 1
10 2541 1 1 14 ILE HG22 H -8.084 2.971 2.312 1.00 . A A . 14 ILE HG22 1 1
10 2542 1 1 14 ILE HG23 H -6.553 2.118 2.115 1.00 . A A . 14 ILE HG23 1 1
10 2543 1 1 14 ILE N N -5.576 1.803 -0.169 1.00 . A A . 14 ILE N 1 1
10 2544 1 1 14 ILE O O -5.893 4.693 -2.236 1.00 . A A . 14 ILE O 1 1
10 2545 1 1 15 THR C C -2.770 3.969 -3.105 1.00 . A A . 15 THR C 1 1
10 2546 1 1 15 THR CA C -3.212 4.692 -1.838 1.00 . A A . 15 THR CA 1 1
10 2547 1 1 15 THR CB C -2.091 4.819 -0.805 1.00 . A A . 15 THR CB 1 1
10 2548 1 1 15 THR CG2 C -0.713 4.623 -1.449 1.00 . A A . 15 THR CG2 1 1
10 2549 1 1 15 THR H H -3.885 3.176 -0.485 1.00 . A A . 15 THR H 1 1
10 2550 1 1 15 THR HA H -3.634 5.655 -2.071 1.00 . A A . 15 THR HA 1 1
10 2551 1 1 15 THR HB H -2.246 4.061 -0.047 1.00 . A A . 15 THR HB 1 1
10 2552 1 1 15 THR HG1 H -2.605 6.018 0.639 1.00 . A A . 15 THR HG1 1 1
10 2553 1 1 15 THR HG21 H -0.735 4.988 -2.465 1.00 . A A . 15 THR HG21 1 1
10 2554 1 1 15 THR HG22 H -0.462 3.573 -1.449 1.00 . A A . 15 THR HG22 1 1
10 2555 1 1 15 THR HG23 H 0.029 5.170 -0.886 1.00 . A A . 15 THR HG23 1 1
10 2556 1 1 15 THR N N -4.196 3.830 -1.145 1.00 . A A . 15 THR N 1 1
10 2557 1 1 15 THR O O -3.037 4.399 -4.210 1.00 . A A . 15 THR O 1 1
10 2558 1 1 15 THR OG1 O -2.153 6.105 -0.204 1.00 . A A . 15 THR OG1 1 1
10 2559 1 1 16 VAL C C -2.886 1.094 -4.460 1.00 . A A . 16 VAL C 1 1
10 2560 1 1 16 VAL CA C -1.739 2.048 -4.131 1.00 . A A . 16 VAL CA 1 1
10 2561 1 1 16 VAL CB C -0.492 1.277 -3.697 1.00 . A A . 16 VAL CB 1 1
10 2562 1 1 16 VAL CG1 C -0.076 0.311 -4.808 1.00 . A A . 16 VAL CG1 1 1
10 2563 1 1 16 VAL CG2 C 0.646 2.263 -3.427 1.00 . A A . 16 VAL CG2 1 1
10 2564 1 1 16 VAL H H -1.978 2.496 -2.045 1.00 . A A . 16 VAL H 1 1
10 2565 1 1 16 VAL HA H -1.518 2.691 -4.968 1.00 . A A . 16 VAL HA 1 1
10 2566 1 1 16 VAL HB H -0.709 0.719 -2.797 1.00 . A A . 16 VAL HB 1 1
10 2567 1 1 16 VAL HG11 H -0.615 -0.618 -4.698 1.00 . A A . 16 VAL HG11 1 1
10 2568 1 1 16 VAL HG12 H 0.985 0.122 -4.741 1.00 . A A . 16 VAL HG12 1 1
10 2569 1 1 16 VAL HG13 H -0.304 0.748 -5.769 1.00 . A A . 16 VAL HG13 1 1
10 2570 1 1 16 VAL HG21 H 0.445 3.194 -3.936 1.00 . A A . 16 VAL HG21 1 1
10 2571 1 1 16 VAL HG22 H 1.575 1.848 -3.790 1.00 . A A . 16 VAL HG22 1 1
10 2572 1 1 16 VAL HG23 H 0.723 2.442 -2.365 1.00 . A A . 16 VAL HG23 1 1
10 2573 1 1 16 VAL N N -2.144 2.841 -2.947 1.00 . A A . 16 VAL N 1 1
10 2574 1 1 16 VAL O O -2.684 -0.062 -4.774 1.00 . A A . 16 VAL O 1 1
10 2575 1 1 17 LYS C C -5.326 0.317 -6.111 1.00 . A A . 17 LYS C 1 1
10 2576 1 1 17 LYS CA C -5.282 0.717 -4.644 1.00 . A A . 17 LYS CA 1 1
10 2577 1 1 17 LYS CB C -6.499 1.569 -4.282 1.00 . A A . 17 LYS CB 1 1
10 2578 1 1 17 LYS CD C -8.847 1.482 -3.432 1.00 . A A . 17 LYS CD 1 1
10 2579 1 1 17 LYS CE C -9.836 0.550 -2.729 1.00 . A A . 17 LYS CE 1 1
10 2580 1 1 17 LYS CG C -7.701 0.659 -4.023 1.00 . A A . 17 LYS CG 1 1
10 2581 1 1 17 LYS H H -4.236 2.509 -4.097 1.00 . A A . 17 LYS H 1 1
10 2582 1 1 17 LYS HA H -5.241 -0.148 -4.030 1.00 . A A . 17 LYS HA 1 1
10 2583 1 1 17 LYS HB2 H -6.283 2.144 -3.393 1.00 . A A . 17 LYS HB2 1 1
10 2584 1 1 17 LYS HB3 H -6.726 2.238 -5.098 1.00 . A A . 17 LYS HB3 1 1
10 2585 1 1 17 LYS HD2 H -8.451 2.192 -2.721 1.00 . A A . 17 LYS HD2 1 1
10 2586 1 1 17 LYS HD3 H -9.356 2.011 -4.224 1.00 . A A . 17 LYS HD3 1 1
10 2587 1 1 17 LYS HE2 H -9.337 -0.356 -2.412 1.00 . A A . 17 LYS HE2 1 1
10 2588 1 1 17 LYS HE3 H -10.288 1.048 -1.885 1.00 . A A . 17 LYS HE3 1 1
10 2589 1 1 17 LYS HG2 H -8.020 0.211 -4.953 1.00 . A A . 17 LYS HG2 1 1
10 2590 1 1 17 LYS HG3 H -7.422 -0.117 -3.326 1.00 . A A . 17 LYS HG3 1 1
10 2591 1 1 17 LYS HZ1 H -11.392 1.111 -3.993 1.00 . A A . 17 LYS HZ1 1 1
10 2592 1 1 17 LYS HZ2 H -11.533 -0.467 -3.378 1.00 . A A . 17 LYS HZ2 1 1
10 2593 1 1 17 LYS HZ3 H -10.413 -0.128 -4.610 1.00 . A A . 17 LYS HZ3 1 1
10 2594 1 1 17 LYS N N -4.102 1.579 -4.365 1.00 . A A . 17 LYS N 1 1
10 2595 1 1 17 LYS NZ N -10.871 0.243 -3.755 1.00 . A A . 17 LYS NZ 1 1
10 2596 1 1 17 LYS O O -6.148 -0.473 -6.532 1.00 . A A . 17 LYS O 1 1
10 2597 1 1 18 LYS C C -5.602 1.151 -9.054 1.00 . A A . 18 LYS C 1 1
10 2598 1 1 18 LYS CA C -4.404 0.526 -8.333 1.00 . A A . 18 LYS CA 1 1
10 2599 1 1 18 LYS CB C -4.467 -1.002 -8.408 1.00 . A A . 18 LYS CB 1 1
10 2600 1 1 18 LYS CD C -4.766 -2.559 -10.339 1.00 . A A . 18 LYS CD 1 1
10 2601 1 1 18 LYS CE C -6.153 -1.979 -10.627 1.00 . A A . 18 LYS CE 1 1
10 2602 1 1 18 LYS CG C -3.873 -1.473 -9.736 1.00 . A A . 18 LYS CG 1 1
10 2603 1 1 18 LYS H H -3.803 1.485 -6.504 1.00 . A A . 18 LYS H 1 1
10 2604 1 1 18 LYS HA H -3.483 0.875 -8.760 1.00 . A A . 18 LYS HA 1 1
10 2605 1 1 18 LYS HB2 H -3.902 -1.425 -7.589 1.00 . A A . 18 LYS HB2 1 1
10 2606 1 1 18 LYS HB3 H -5.495 -1.324 -8.341 1.00 . A A . 18 LYS HB3 1 1
10 2607 1 1 18 LYS HD2 H -4.326 -2.917 -11.259 1.00 . A A . 18 LYS HD2 1 1
10 2608 1 1 18 LYS HD3 H -4.858 -3.378 -9.641 1.00 . A A . 18 LYS HD3 1 1
10 2609 1 1 18 LYS HE2 H -6.914 -2.730 -10.463 1.00 . A A . 18 LYS HE2 1 1
10 2610 1 1 18 LYS HE3 H -6.335 -1.115 -10.008 1.00 . A A . 18 LYS HE3 1 1
10 2611 1 1 18 LYS HG2 H -3.810 -0.637 -10.419 1.00 . A A . 18 LYS HG2 1 1
10 2612 1 1 18 LYS HG3 H -2.885 -1.875 -9.567 1.00 . A A . 18 LYS HG3 1 1
10 2613 1 1 18 LYS HZ1 H -6.952 -1.011 -12.287 1.00 . A A . 18 LYS HZ1 1 1
10 2614 1 1 18 LYS HZ2 H -6.100 -2.434 -12.657 1.00 . A A . 18 LYS HZ2 1 1
10 2615 1 1 18 LYS HZ3 H -5.257 -1.018 -12.241 1.00 . A A . 18 LYS HZ3 1 1
10 2616 1 1 18 LYS N N -4.445 0.857 -6.882 1.00 . A A . 18 LYS N 1 1
10 2617 1 1 18 LYS NZ N -6.112 -1.581 -12.061 1.00 . A A . 18 LYS NZ 1 1
10 2618 1 1 18 LYS O O -5.753 0.898 -10.238 1.00 . A A . 18 LYS O 1 1
10 2619 1 1 18 LYS OXT O -6.347 1.870 -8.409 1.00 . A A . 18 LYS OXT 1 1
10 2620 2 2 1 HG HG HG 0.038 -0.897 2.031 1.00 . B A . 20 HG HG 1 1
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