Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
654279 | 7d37 RC | cing | 4-filtered-FRED | STAR | entry | full | 50 |
data_FRED_restraints_with_modified_coordinates_PDB_code_7d37
# This FRED archive file contains, for PDB entry <7d37>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389–396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_7d37
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 7d37
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 1456.71
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 $CYS_CY1_GLU_LEU_CYS_CYS_ASN_PRO_ALA_CY1_THR_GLY_CYS A . 1 1
stop_
save_
save_CYS_CY1_GLU_LEU_CYS_CYS_ASN_PRO_ALA_CY1_THR_GLY_CYS
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "CYS CY1 GLU LEU CYS CYS ASN PRO ALA CY1 THR GLY CYS"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code CXELCCNPAXTGC
_Entity.Number_of_monomers 13
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 CYS . 1 1
2 . $. 1 1
3 GLU . 1 1
4 LEU . 1 1
5 CYS . 1 1
6 CYS . 1 1
7 ASN . 1 1
8 PRO . 1 1
9 ALA . 1 1
10 . $. 1 1
11 THR . 1 1
12 GLY . 1 1
13 CYS . 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
CYS 1 1 1 1
. 2 2 1 1
GLU 3 3 1 1
LEU 4 4 1 1
CYS 5 5 1 1
CYS 6 6 1 1
ASN 7 7 1 1
PRO 8 8 1 1
ALA 9 9 1 1
. 10 10 1 1
THR 11 11 1 1
GLY 12 12 1 1
CYS 13 13 1 1
stop_
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
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 1 CYS HA . 1 . HA 1 1
1 1 2 1 1 1 CYS QB . 1 . HB 1 1
2 1 1 1 1 1 CYS QB . 1 . HB 1 1
2 1 2 1 1 6 CYS QB . 6 . HB 1 1
3 1 1 1 1 3 GLU HA . 3 . HA 1 1
3 1 2 1 1 3 GLU QG . 3 . HG 1 1
4 1 1 1 1 4 LEU H . 4 . HN 1 1
4 1 2 1 1 4 LEU HA . 4 . HA 1 1
5 1 1 1 1 4 LEU HA . 4 . HA 1 1
5 1 2 1 1 4 LEU QD . 4 . HD1 1 1
6 1 1 1 1 4 LEU HA . 4 . HA 1 1
6 1 2 1 1 4 LEU HG . 4 . HG 1 1
7 1 1 1 1 4 LEU HA . 4 . HA 1 1
7 1 2 1 1 5 CYS H . 5 . HN 1 1
8 1 1 1 1 4 LEU HA . 4 . HA 1 1
8 1 2 1 1 5 CYS HA . 5 . HA 1 1
9 1 1 1 1 4 LEU HA . 4 . HA 1 1
9 1 2 1 1 5 CYS QB . 5 . HB2 1 1
10 1 1 1 1 5 CYS H . 5 . HN 1 1
10 1 2 1 1 5 CYS QB . 5 . HB2 1 1
11 1 1 1 1 5 CYS H . 5 . HN 1 1
11 1 2 1 1 6 CYS H . 6 . HN 1 1
12 1 1 1 1 5 CYS HA . 5 . HA 1 1
12 1 2 1 1 5 CYS QB . 5 . HB1 1 1
13 1 1 1 1 5 CYS HA . 5 . HA 1 1
13 1 2 1 1 6 CYS H . 6 . HN 1 1
14 1 1 1 1 5 CYS QB . 5 . HB2 1 1
14 1 2 1 1 6 CYS H . 6 . HN 1 1
15 1 1 1 1 5 CYS QB . 5 . HB1 1 1
15 1 2 1 1 6 CYS HA . 6 . HA 1 1
16 1 1 1 1 5 CYS QB . 5 . HB2 1 1
16 1 2 1 1 13 CYS H . 13 . HN 1 1
17 1 1 1 1 5 CYS QB . 5 . HB2 1 1
17 1 2 1 1 13 CYS HA . 13 . HA 1 1
18 1 1 1 1 5 CYS QB . 5 . HB1 1 1
18 1 2 1 1 13 CYS QB . 13 . HB 1 1
19 1 1 1 1 6 CYS H . 6 . HN 1 1
19 1 2 1 1 6 CYS HA . 6 . HA 1 1
20 1 1 1 1 6 CYS H . 6 . HN 1 1
20 1 2 1 1 7 ASN H . 7 . HN 1 1
21 1 1 1 1 6 CYS HA . 6 . HA 1 1
21 1 2 1 1 6 CYS QB . 6 . HB 1 1
22 1 1 1 1 6 CYS HA . 6 . HA 1 1
22 1 2 1 1 7 ASN H . 7 . HN 1 1
23 1 1 1 1 6 CYS HA . 6 . HA 1 1
23 1 2 1 1 7 ASN HB2 . 7 . HB2 1 1
24 1 1 1 1 7 ASN H . 7 . HN 1 1
24 1 2 1 1 7 ASN HB2 . 7 . HB2 1 1
25 1 1 1 1 7 ASN H . 7 . HN 1 1
25 1 2 1 1 8 PRO QD . 8 . HD 1 1
26 1 1 1 1 7 ASN HA . 7 . HA 1 1
26 1 2 1 1 8 PRO QD . 8 . HD 1 1
27 1 1 1 1 7 ASN HA . 7 . HA 1 1
27 1 2 1 1 8 PRO QG . 8 . HG 1 1
28 1 1 1 1 7 ASN HB2 . 7 . HB2 1 1
28 1 2 1 1 8 PRO QD . 8 . HD 1 1
29 1 1 1 1 7 ASN HB3 . 7 . HB1 1 1
29 1 2 1 1 8 PRO QD . 8 . HD 1 1
30 1 1 1 1 8 PRO HA . 8 . HA 1 1
30 1 2 1 1 8 PRO QD . 8 . HD 1 1
31 1 1 1 1 8 PRO HA . 8 . HA 1 1
31 1 2 1 1 9 ALA H . 9 . HN 1 1
32 1 1 1 1 8 PRO HA . 8 . HA 1 1
32 1 2 1 1 9 ALA HA . 9 . HA 1 1
33 1 1 1 1 8 PRO HA . 8 . HA 1 1
33 1 2 1 1 9 ALA MB . 9 . HB 1 1
34 1 1 1 1 8 PRO QD . 8 . HD 1 1
34 1 2 1 1 9 ALA H . 9 . HN 1 1
35 1 1 1 1 9 ALA H . 9 . HN 1 1
35 1 2 1 1 9 ALA HA . 9 . HA 1 1
36 1 1 1 1 9 ALA HA . 9 . HA 1 1
36 1 2 1 1 11 THR H . 11 . HN 1 1
37 1 1 1 1 11 THR H . 11 . HN 1 1
37 1 2 1 1 11 THR HA . 11 . HA 1 1
38 1 1 1 1 11 THR H . 11 . HN 1 1
38 1 2 1 1 11 THR HB . 11 . HB 1 1
39 1 1 1 1 11 THR H . 11 . HN 1 1
39 1 2 1 1 11 THR MG . 11 . HG 1 1
40 1 1 1 1 11 THR H . 11 . HN 1 1
40 1 2 1 1 12 GLY H . 12 . HN 1 1
41 1 1 1 1 11 THR HA . 11 . HA 1 1
41 1 2 1 1 11 THR HB . 11 . HB 1 1
42 1 1 1 1 11 THR HA . 11 . HA 1 1
42 1 2 1 1 11 THR MG . 11 . HG 1 1
43 1 1 1 1 11 THR HA . 11 . HA 1 1
43 1 2 1 1 12 GLY H . 12 . HN 1 1
44 1 1 1 1 11 THR HA . 11 . HA 1 1
44 1 2 1 1 12 GLY QA . 12 . HA1 1 1
45 1 1 1 1 12 GLY H . 12 . HN 1 1
45 1 2 1 1 12 GLY QA . 12 . HA2 1 1
46 1 1 1 1 12 GLY H . 12 . HN 1 1
46 1 2 1 1 13 CYS H . 13 . HN 1 1
47 1 1 1 1 12 GLY QA . 12 . HA2 1 1
47 1 2 1 1 13 CYS H . 13 . HN 1 1
48 1 1 1 1 13 CYS H . 13 . HN 1 1
48 1 2 1 1 13 CYS HA . 13 . HA 1 1
49 1 1 1 1 13 CYS H . 13 . HN 1 1
49 1 2 1 1 13 CYS QB . 13 . HB 1 1
50 1 1 1 1 13 CYS HA . 13 . HA 1 1
50 1 2 1 1 13 CYS QB . 13 . HB 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.8 1.8 2.8 1 1
2 1 . . . . . 4.0 1.8 4.0 1 1
3 1 . . . . . 2.8 1.8 2.8 1 1
4 1 . . . . . 2.8 1.8 2.8 1 1
5 1 . . . . . 2.8 1.8 2.8 1 1
6 1 . . . . . 3.6 1.8 3.6 1 1
7 1 . . . . . 2.8 1.8 2.8 1 1
8 1 . . . . . 4.0 1.8 4.0 1 1
9 1 . . . . . 4.0 1.8 4.0 1 1
10 1 . . . . . 3.6 1.8 3.6 1 1
11 1 . . . . . 3.6 1.8 3.6 1 1
12 1 . . . . . . 1.8 2.8 1 1
13 1 . . . . . 2.8 1.8 2.8 1 1
14 1 . . . . . . 1.8 2.8 1 1
15 1 . . . . . 3.6 1.8 3.6 1 1
16 1 . . . . . 2.8 1.8 2.8 1 1
17 1 . . . . . 2.8 1.8 2.8 1 1
18 1 . . . . . 4.0 1.8 4.0 1 1
19 1 . . . . . 2.8 1.8 2.8 1 1
20 1 . . . . . 2.8 1.8 2.8 1 1
21 1 . . . . . 2.8 1.8 2.8 1 1
22 1 . . . . . 2.8 1.8 2.8 1 1
23 1 . . . . . 4.0 1.8 4.0 1 1
24 1 . . . . . 4.0 1.8 4.0 1 1
25 1 . . . . . 4.0 1.8 4.0 1 1
26 1 . . . . . 2.8 1.8 2.8 1 1
27 1 . . . . . 4.0 1.8 4.0 1 1
28 1 . . . . . 4.0 1.8 4.0 1 1
29 1 . . . . . 3.6 1.8 3.6 1 1
30 1 . . . . . 4.0 1.8 4.0 1 1
31 1 . . . . . 2.8 1.8 2.8 1 1
32 1 . . . . . 3.6 1.8 3.6 1 1
33 1 . . . . . 5.0 1.8 5.0 1 1
34 1 . . . . . 2.8 1.8 2.8 1 1
35 1 . . . . . 2.8 1.8 2.8 1 1
36 1 . . . . . 3.6 1.8 3.6 1 1
37 1 . . . . . 2.8 1.8 2.8 1 1
38 1 . . . . . 3.6 1.8 3.6 1 1
39 1 . . . . . 3.6 1.8 3.6 1 1
40 1 . . . . . 2.8 1.8 2.8 1 1
41 1 . . . . . 2.8 1.8 2.8 1 1
42 1 . . . . . 2.8 1.8 2.8 1 1
43 1 . . . . . 3.6 1.8 3.6 1 1
44 1 . . . . . 4.0 1.8 4.0 1 1
45 1 . . . . . 2.8 1.8 2.8 1 1
46 1 . . . . . 2.8 1.8 2.8 1 1
47 1 . . . . . 2.8 1.8 2.8 1 1
48 1 . . . . . 2.8 1.8 2.8 1 1
49 1 . . . . . 2.8 1.8 2.8 1 1
50 1 . . . . . 2.8 1.8 2.8 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 CYS C C -2.126 4.371 -0.150 1.00 . A A . 1 CYS C 1 1
1 2 1 1 1 CYS CA C -1.717 5.178 1.083 1.00 . A A . 1 CYS CA 1 1
1 3 1 1 1 CYS CB C -0.198 5.368 1.093 1.00 . A A . 1 CYS CB 1 1
1 4 1 1 1 CYS H1 H -1.866 5.069 3.162 1.00 . A A . 1 CYS H1 1 1
1 5 1 1 1 CYS H2 H -1.737 3.563 2.404 1.00 . A A . 1 CYS H2 1 1
1 6 1 1 1 CYS H3 H -3.196 4.417 2.344 1.00 . A A . 1 CYS H3 1 1
1 7 1 1 1 CYS HA H -2.192 6.147 1.033 1.00 . A A . 1 CYS HA 1 1
1 8 1 1 1 CYS HB2 H 0.278 4.417 0.910 1.00 . A A . 1 CYS HB2 1 1
1 9 1 1 1 CYS HB3 H 0.076 6.058 0.308 1.00 . A A . 1 CYS HB3 1 1
1 10 1 1 1 CYS N N -2.160 4.510 2.336 1.00 . A A . 1 CYS N 1 1
1 11 1 1 1 CYS O O -2.506 4.946 -1.174 1.00 . A A . 1 CYS O 1 1
1 12 1 1 1 CYS SG S 0.463 6.023 2.660 1.00 . A A . 1 CYS SG 1 1
1 13 1 1 2 . C C -3.797 1.539 -0.933 1.00 . A A . 2 CY1 C 1 1
1 14 1 1 2 . CA C -2.396 2.138 -1.139 1.00 . A A . 2 CY1 CA 1 1
1 15 1 1 2 . CB C -1.353 1.069 -1.289 1.00 . A A . 2 CY1 CB 1 1
1 16 1 1 2 . CD C 0.174 2.705 -2.985 1.00 . A A . 2 CY1 CD 1 1
1 17 1 1 2 . CM C -0.918 1.207 -6.323 1.00 . A A . 2 CY1 CM 1 1
1 18 1 1 2 . CZ C -0.470 2.269 -5.317 1.00 . A A . 2 CY1 CZ 1 1
1 19 1 1 2 . H H -1.124 3.371 0.028 1.00 . A A . 2 CY1 H 1 1
1 20 1 1 2 . HA H -2.400 2.705 -2.036 1.00 . A A . 2 CY1 HA 1 1
1 21 1 1 2 . HB2 H -1.438 0.290 -0.618 1.00 . A A . 2 CY1 HB2 1 1
1 22 1 1 2 . HB3 H -1.756 0.543 -2.232 1.00 . A A . 2 CY1 HB3 1 1
1 23 1 1 2 . HD2 H -0.644 3.408 -2.817 1.00 . A A . 2 CY1 HD2 1 1
1 24 1 1 2 . HD3 H 1.102 3.164 -3.320 1.00 . A A . 2 CY1 HD3 1 1
1 25 1 1 2 . HE H -0.377 0.859 -3.814 1.00 . A A . 2 CY1 HE 1 1
1 26 1 1 2 . HM1 H -1.486 0.433 -5.809 1.00 . A A . 2 CY1 HM1 1 1
1 27 1 1 2 . HM2 H -0.042 0.763 -6.797 1.00 . A A . 2 CY1 HM2 1 1
1 28 1 1 2 . HM3 H -1.543 1.673 -7.086 1.00 . A A . 2 CY1 HM3 1 1
1 29 1 1 2 . N N -2.043 3.038 -0.041 1.00 . A A . 2 CY1 N 1 1
1 30 1 1 2 . NE N -0.259 1.817 -4.073 1.00 . A A . 2 CY1 NE 1 1
1 31 1 1 2 . O O -4.760 2.001 -1.553 1.00 . A A . 2 CY1 O 1 1
1 32 1 1 2 . OAC O -0.321 3.442 -5.657 1.00 . A A . 2 CY1 OAC 1 1
1 33 1 1 2 . SG S 0.369 1.652 -1.501 1.00 . A A . 2 CY1 SG 1 1
1 34 1 1 3 GLU C C -5.262 -0.628 1.677 1.00 . A A . 3 GLU C 1 1
1 35 1 1 3 GLU CA C -5.195 -0.144 0.225 1.00 . A A . 3 GLU CA 1 1
1 36 1 1 3 GLU CB C -5.448 -1.324 -0.733 1.00 . A A . 3 GLU CB 1 1
1 37 1 1 3 GLU CD C -6.098 -2.079 -3.057 1.00 . A A . 3 GLU CD 1 1
1 38 1 1 3 GLU CG C -5.824 -0.899 -2.146 1.00 . A A . 3 GLU CG 1 1
1 39 1 1 3 GLU H H -3.079 0.095 0.244 1.00 . A A . 3 GLU H 1 1
1 40 1 1 3 GLU HA H -5.972 0.591 0.077 1.00 . A A . 3 GLU HA 1 1
1 41 1 1 3 GLU HB2 H -4.551 -1.927 -0.789 1.00 . A A . 3 GLU HB2 1 1
1 42 1 1 3 GLU HB3 H -6.258 -1.926 -0.335 1.00 . A A . 3 GLU HB3 1 1
1 43 1 1 3 GLU HG2 H -6.711 -0.286 -2.100 1.00 . A A . 3 GLU HG2 1 1
1 44 1 1 3 GLU HG3 H -5.010 -0.323 -2.562 1.00 . A A . 3 GLU HG3 1 1
1 45 1 1 3 GLU N N -3.910 0.513 -0.063 1.00 . A A . 3 GLU N 1 1
1 46 1 1 3 GLU O O -6.204 -0.287 2.399 1.00 . A A . 3 GLU O 1 1
1 47 1 1 3 GLU OE1 O -5.150 -2.554 -3.716 1.00 . A A . 3 GLU OE1 1 1
1 48 1 1 3 GLU OE2 O -7.263 -2.529 -3.111 1.00 . A A . 3 GLU OE2 1 1
1 49 1 1 4 LEU C C -2.877 -1.788 4.102 1.00 . A A . 4 LEU C 1 1
1 50 1 1 4 LEU CA C -4.218 -1.957 3.464 1.00 . A A . 4 LEU CA 1 1
1 51 1 1 4 LEU CB C -4.684 -3.427 3.498 1.00 . A A . 4 LEU CB 1 1
1 52 1 1 4 LEU CD1 C -6.298 -5.035 2.451 1.00 . A A . 4 LEU CD1 1 1
1 53 1 1 4 LEU CD2 C -7.056 -3.570 4.326 1.00 . A A . 4 LEU CD2 1 1
1 54 1 1 4 LEU CG C -6.147 -3.671 3.107 1.00 . A A . 4 LEU CG 1 1
1 55 1 1 4 LEU H H -3.543 -1.647 1.483 1.00 . A A . 4 LEU H 1 1
1 56 1 1 4 LEU HA H -4.854 -1.372 4.047 1.00 . A A . 4 LEU HA 1 1
1 57 1 1 4 LEU HB2 H -4.056 -3.994 2.827 1.00 . A A . 4 LEU HB2 1 1
1 58 1 1 4 LEU HB3 H -4.537 -3.802 4.500 1.00 . A A . 4 LEU HB3 1 1
1 59 1 1 4 LEU HD11 H -5.701 -5.069 1.551 1.00 . A A . 4 LEU HD11 1 1
1 60 1 1 4 LEU HD12 H -7.335 -5.202 2.201 1.00 . A A . 4 LEU HD12 1 1
1 61 1 1 4 LEU HD13 H -5.964 -5.802 3.133 1.00 . A A . 4 LEU HD13 1 1
1 62 1 1 4 LEU HD21 H -6.972 -2.583 4.757 1.00 . A A . 4 LEU HD21 1 1
1 63 1 1 4 LEU HD22 H -6.762 -4.308 5.057 1.00 . A A . 4 LEU HD22 1 1
1 64 1 1 4 LEU HD23 H -8.079 -3.746 4.027 1.00 . A A . 4 LEU HD23 1 1
1 65 1 1 4 LEU HG H -6.454 -2.921 2.394 1.00 . A A . 4 LEU HG 1 1
1 66 1 1 4 LEU N N -4.262 -1.422 2.099 1.00 . A A . 4 LEU N 1 1
1 67 1 1 4 LEU O O -2.465 -2.591 4.951 1.00 . A A . 4 LEU O 1 1
1 68 1 1 5 CYS C C -0.507 0.934 3.595 1.00 . A A . 5 CYS C 1 1
1 69 1 1 5 CYS CA C -0.952 -0.354 4.246 1.00 . A A . 5 CYS CA 1 1
1 70 1 1 5 CYS CB C 0.010 -1.487 3.929 1.00 . A A . 5 CYS CB 1 1
1 71 1 1 5 CYS H H -2.586 -0.115 3.049 1.00 . A A . 5 CYS H 1 1
1 72 1 1 5 CYS HA H -1.054 -0.231 5.298 1.00 . A A . 5 CYS HA 1 1
1 73 1 1 5 CYS HB2 H -0.579 -2.259 3.452 1.00 . A A . 5 CYS HB2 1 1
1 74 1 1 5 CYS HB3 H 0.770 -1.128 3.241 1.00 . A A . 5 CYS HB3 1 1
1 75 1 1 5 CYS N N -2.218 -0.696 3.728 1.00 . A A . 5 CYS N 1 1
1 76 1 1 5 CYS O O -1.325 1.774 3.204 1.00 . A A . 5 CYS O 1 1
1 77 1 1 5 CYS SG S 0.829 -2.215 5.387 1.00 . A A . 5 CYS SG 1 1
1 78 1 1 6 CYS C C 2.732 1.791 2.233 1.00 . A A . 6 CYS C 1 1
1 79 1 1 6 CYS CA C 1.409 2.203 2.850 1.00 . A A . 6 CYS CA 1 1
1 80 1 1 6 CYS CB C 1.546 3.420 3.785 1.00 . A A . 6 CYS CB 1 1
1 81 1 1 6 CYS H H 1.334 0.373 3.862 1.00 . A A . 6 CYS H 1 1
1 82 1 1 6 CYS HA H 0.753 2.432 2.036 1.00 . A A . 6 CYS HA 1 1
1 83 1 1 6 CYS HB2 H 0.581 3.645 4.214 1.00 . A A . 6 CYS HB2 1 1
1 84 1 1 6 CYS HB3 H 2.239 3.178 4.578 1.00 . A A . 6 CYS HB3 1 1
1 85 1 1 6 CYS N N 0.790 1.072 3.499 1.00 . A A . 6 CYS N 1 1
1 86 1 1 6 CYS O O 3.825 2.215 2.629 1.00 . A A . 6 CYS O 1 1
1 87 1 1 6 CYS SG S 2.149 4.931 2.963 1.00 . A A . 6 CYS SG 1 1
1 88 1 1 7 ASN C C 3.983 1.206 -0.752 1.00 . A A . 7 ASN C 1 1
1 89 1 1 7 ASN CA C 3.645 0.355 0.466 1.00 . A A . 7 ASN CA 1 1
1 90 1 1 7 ASN CB C 3.186 -0.995 -0.012 1.00 . A A . 7 ASN CB 1 1
1 91 1 1 7 ASN CG C 3.440 -2.086 1.003 1.00 . A A . 7 ASN CG 1 1
1 92 1 1 7 ASN H H 1.650 0.620 1.070 1.00 . A A . 7 ASN H 1 1
1 93 1 1 7 ASN HA H 4.515 0.235 1.072 1.00 . A A . 7 ASN HA 1 1
1 94 1 1 7 ASN HB2 H 2.117 -0.936 -0.200 1.00 . A A . 7 ASN HB2 1 1
1 95 1 1 7 ASN HB3 H 3.707 -1.233 -0.925 1.00 . A A . 7 ASN HB3 1 1
1 96 1 1 7 ASN HD21 H 5.188 -2.506 0.155 1.00 . A A . 7 ASN HD21 1 1
1 97 1 1 7 ASN HD22 H 4.771 -3.466 1.529 1.00 . A A . 7 ASN HD22 1 1
1 98 1 1 7 ASN N N 2.567 0.923 1.254 1.00 . A A . 7 ASN N 1 1
1 99 1 1 7 ASN ND2 N 4.581 -2.754 0.883 1.00 . A A . 7 ASN ND2 1 1
1 100 1 1 7 ASN O O 3.072 1.738 -1.392 1.00 . A A . 7 ASN O 1 1
1 101 1 1 7 ASN OD1 O 2.619 -2.327 1.885 1.00 . A A . 7 ASN OD1 1 1
1 102 1 1 8 PRO C C 5.416 1.339 -3.548 1.00 . A A . 8 PRO C 1 1
1 103 1 1 8 PRO CA C 5.672 2.126 -2.293 1.00 . A A . 8 PRO CA 1 1
1 104 1 1 8 PRO CB C 7.147 2.477 -2.075 1.00 . A A . 8 PRO CB 1 1
1 105 1 1 8 PRO CD C 6.494 0.893 -0.359 1.00 . A A . 8 PRO CD 1 1
1 106 1 1 8 PRO CG C 7.671 1.413 -1.161 1.00 . A A . 8 PRO CG 1 1
1 107 1 1 8 PRO HA H 5.067 3.015 -2.386 1.00 . A A . 8 PRO HA 1 1
1 108 1 1 8 PRO HB2 H 7.661 2.478 -3.030 1.00 . A A . 8 PRO HB2 1 1
1 109 1 1 8 PRO HB3 H 7.226 3.449 -1.616 1.00 . A A . 8 PRO HB3 1 1
1 110 1 1 8 PRO HD2 H 6.513 -0.186 -0.318 1.00 . A A . 8 PRO HD2 1 1
1 111 1 1 8 PRO HD3 H 6.512 1.306 0.640 1.00 . A A . 8 PRO HD3 1 1
1 112 1 1 8 PRO HG2 H 8.107 0.614 -1.748 1.00 . A A . 8 PRO HG2 1 1
1 113 1 1 8 PRO HG3 H 8.411 1.832 -0.497 1.00 . A A . 8 PRO HG3 1 1
1 114 1 1 8 PRO N N 5.297 1.370 -1.104 1.00 . A A . 8 PRO N 1 1
1 115 1 1 8 PRO O O 6.271 0.652 -4.119 1.00 . A A . 8 PRO O 1 1
1 116 1 1 9 ALA C C 3.422 -0.673 -4.970 1.00 . A A . 9 ALA C 1 1
1 117 1 1 9 ALA CA C 3.553 0.865 -5.074 1.00 . A A . 9 ALA CA 1 1
1 118 1 1 9 ALA CB C 4.263 1.281 -6.369 1.00 . A A . 9 ALA CB 1 1
1 119 1 1 9 ALA H H 3.583 2.028 -3.354 1.00 . A A . 9 ALA H 1 1
1 120 1 1 9 ALA HA H 2.578 1.294 -5.092 1.00 . A A . 9 ALA HA 1 1
1 121 1 1 9 ALA HB1 H 3.700 0.924 -7.219 1.00 . A A . 9 ALA HB1 1 1
1 122 1 1 9 ALA HB2 H 5.255 0.855 -6.390 1.00 . A A . 9 ALA HB2 1 1
1 123 1 1 9 ALA HB3 H 4.333 2.358 -6.411 1.00 . A A . 9 ALA HB3 1 1
1 124 1 1 9 ALA N N 4.158 1.469 -3.917 1.00 . A A . 9 ALA N 1 1
1 125 1 1 9 ALA O O 3.210 -1.344 -5.989 1.00 . A A . 9 ALA O 1 1
1 126 1 1 10 . C C 1.973 -3.127 -3.378 1.00 . A A . 10 CY1 C 1 1
1 127 1 1 10 . CA C 3.411 -2.697 -3.589 1.00 . A A . 10 CY1 CA 1 1
1 128 1 1 10 . CB C 4.229 -3.175 -2.415 1.00 . A A . 10 CY1 CB 1 1
1 129 1 1 10 . CD C 5.208 -5.326 -3.937 1.00 . A A . 10 CY1 CD 1 1
1 130 1 1 10 . CM C 3.255 -4.257 -7.040 1.00 . A A . 10 CY1 CM 1 1
1 131 1 1 10 . CZ C 4.427 -4.366 -6.062 1.00 . A A . 10 CY1 CZ 1 1
1 132 1 1 10 . H H 3.581 -0.684 -2.917 1.00 . A A . 10 CY1 H 1 1
1 133 1 1 10 . HA H 3.782 -3.152 -4.486 1.00 . A A . 10 CY1 HA 1 1
1 134 1 1 10 . HB2 H 5.072 -2.611 -2.173 1.00 . A A . 10 CY1 HB2 1 1
1 135 1 1 10 . HB3 H 3.536 -2.803 -1.582 1.00 . A A . 10 CY1 HB3 1 1
1 136 1 1 10 . HD2 H 5.559 -6.357 -3.973 1.00 . A A . 10 CY1 HD2 1 1
1 137 1 1 10 . HD3 H 6.049 -4.654 -4.108 1.00 . A A . 10 CY1 HD3 1 1
1 138 1 1 10 . HE H 3.319 -5.579 -4.814 1.00 . A A . 10 CY1 HE 1 1
1 139 1 1 10 . HM1 H 3.307 -5.070 -7.764 1.00 . A A . 10 CY1 HM1 1 1
1 140 1 1 10 . HM2 H 3.303 -3.301 -7.561 1.00 . A A . 10 CY1 HM2 1 1
1 141 1 1 10 . HM3 H 2.317 -4.320 -6.488 1.00 . A A . 10 CY1 HM3 1 1
1 142 1 1 10 . N N 3.521 -1.237 -3.742 1.00 . A A . 10 CY1 N 1 1
1 143 1 1 10 . NE N 4.191 -5.116 -4.977 1.00 . A A . 10 CY1 NE 1 1
1 144 1 1 10 . O O 1.434 -3.963 -4.108 1.00 . A A . 10 CY1 O 1 1
1 145 1 1 10 . OAC O 5.493 -3.794 -6.285 1.00 . A A . 10 CY1 OAC 1 1
1 146 1 1 10 . SG S 4.487 -4.983 -2.291 1.00 . A A . 10 CY1 SG 1 1
1 147 1 1 11 THR C C -0.190 -4.175 -1.439 1.00 . A A . 11 THR C 1 1
1 148 1 1 11 THR CA C 0.017 -2.754 -1.898 1.00 . A A . 11 THR CA 1 1
1 149 1 1 11 THR CB C -1.040 -2.304 -2.923 1.00 . A A . 11 THR CB 1 1
1 150 1 1 11 THR CG2 C -2.433 -2.179 -2.308 1.00 . A A . 11 THR CG2 1 1
1 151 1 1 11 THR H H 1.960 -1.978 -1.802 1.00 . A A . 11 THR H 1 1
1 152 1 1 11 THR HA H -0.090 -2.172 -1.039 1.00 . A A . 11 THR HA 1 1
1 153 1 1 11 THR HB H -1.063 -3.039 -3.683 1.00 . A A . 11 THR HB 1 1
1 154 1 1 11 THR HG1 H 0.254 -0.862 -3.292 1.00 . A A . 11 THR HG1 1 1
1 155 1 1 11 THR HG21 H -2.813 -3.163 -2.074 1.00 . A A . 11 THR HG21 1 1
1 156 1 1 11 THR HG22 H -3.096 -1.695 -3.010 1.00 . A A . 11 THR HG22 1 1
1 157 1 1 11 THR HG23 H -2.375 -1.592 -1.405 1.00 . A A . 11 THR HG23 1 1
1 158 1 1 11 THR N N 1.373 -2.526 -2.348 1.00 . A A . 11 THR N 1 1
1 159 1 1 11 THR O O -0.794 -5.014 -2.121 1.00 . A A . 11 THR O 1 1
1 160 1 1 11 THR OG1 O -0.665 -1.047 -3.500 1.00 . A A . 11 THR OG1 1 1
1 161 1 1 12 GLY C C 1.007 -5.850 1.645 1.00 . A A . 12 GLY C 1 1
1 162 1 1 12 GLY CA C 0.248 -5.701 0.351 1.00 . A A . 12 GLY CA 1 1
1 163 1 1 12 GLY H H 0.886 -3.699 0.162 1.00 . A A . 12 GLY H 1 1
1 164 1 1 12 GLY HA2 H -0.796 -5.907 0.529 1.00 . A A . 12 GLY HA2 1 1
1 165 1 1 12 GLY HA3 H 0.634 -6.378 -0.340 1.00 . A A . 12 GLY HA3 1 1
1 166 1 1 12 GLY N N 0.360 -4.411 -0.262 1.00 . A A . 12 GLY N 1 1
1 167 1 1 12 GLY O O 1.428 -6.947 2.022 1.00 . A A . 12 GLY O 1 1
1 168 1 1 13 CYS C C 3.291 -5.149 3.565 1.00 . A A . 13 CYS C 1 1
1 169 1 1 13 CYS CA C 1.863 -4.578 3.600 1.00 . A A . 13 CYS CA 1 1
1 170 1 1 13 CYS CB C 1.062 -5.196 4.760 1.00 . A A . 13 CYS CB 1 1
1 171 1 1 13 CYS H H 0.769 -3.946 1.889 1.00 . A A . 13 CYS H 1 1
1 172 1 1 13 CYS HA H 1.939 -3.514 3.782 1.00 . A A . 13 CYS HA 1 1
1 173 1 1 13 CYS HB2 H 0.468 -6.015 4.382 1.00 . A A . 13 CYS HB2 1 1
1 174 1 1 13 CYS HB3 H 1.750 -5.571 5.504 1.00 . A A . 13 CYS HB3 1 1
1 175 1 1 13 CYS N N 1.157 -4.725 2.305 1.00 . A A . 13 CYS N 1 1
1 176 1 1 13 CYS O O 3.444 -6.391 3.568 1.00 . A A . 13 CYS O 1 1
1 177 1 1 13 CYS OXT O 4.243 -4.341 3.536 1.00 . A A . 13 CYS OXT 1 1
1 178 1 1 13 CYS SG S -0.070 -4.029 5.589 1.00 . A A . 13 CYS SG 1 1
2 179 1 1 1 CYS C C -2.090 4.255 -0.287 1.00 . A A . 1 CYS C 1 1
2 180 1 1 1 CYS CA C -1.682 5.098 0.921 1.00 . A A . 1 CYS CA 1 1
2 181 1 1 1 CYS CB C -0.157 5.236 0.957 1.00 . A A . 1 CYS CB 1 1
2 182 1 1 1 CYS H1 H -3.211 4.428 2.175 1.00 . A A . 1 CYS H1 1 1
2 183 1 1 1 CYS H2 H -1.887 5.083 2.998 1.00 . A A . 1 CYS H2 1 1
2 184 1 1 1 CYS H3 H -1.776 3.542 2.310 1.00 . A A . 1 CYS H3 1 1
2 185 1 1 1 CYS HA H -2.122 6.080 0.822 1.00 . A A . 1 CYS HA 1 1
2 186 1 1 1 CYS HB2 H 0.287 4.263 0.818 1.00 . A A . 1 CYS HB2 1 1
2 187 1 1 1 CYS HB3 H 0.155 5.885 0.151 1.00 . A A . 1 CYS HB3 1 1
2 188 1 1 1 CYS N N -2.173 4.496 2.189 1.00 . A A . 1 CYS N 1 1
2 189 1 1 1 CYS O O -2.419 4.801 -1.345 1.00 . A A . 1 CYS O 1 1
2 190 1 1 1 CYS SG S 0.497 5.928 2.510 1.00 . A A . 1 CYS SG 1 1
2 191 1 1 2 . C C -3.806 1.377 -0.963 1.00 . A A . 2 CY1 C 1 1
2 192 1 1 2 . CA C -2.419 1.995 -1.191 1.00 . A A . 2 CY1 CA 1 1
2 193 1 1 2 . CB C -1.362 0.937 -1.318 1.00 . A A . 2 CY1 CB 1 1
2 194 1 1 2 . CD C 0.126 2.597 -3.020 1.00 . A A . 2 CY1 CD 1 1
2 195 1 1 2 . CM C 3.037 4.628 -4.426 1.00 . A A . 2 CY1 CM 1 1
2 196 1 1 2 . CZ C 1.608 4.102 -4.277 1.00 . A A . 2 CY1 CZ 1 1
2 197 1 1 2 . H H -1.152 3.278 -0.073 1.00 . A A . 2 CY1 H 1 1
2 198 1 1 2 . HA H -2.436 2.538 -2.102 1.00 . A A . 2 CY1 HA 1 1
2 199 1 1 2 . HB2 H -1.437 0.170 -0.631 1.00 . A A . 2 CY1 HB2 1 1
2 200 1 1 2 . HB3 H -1.759 0.387 -2.249 1.00 . A A . 2 CY1 HB3 1 1
2 201 1 1 2 . HD2 H -0.110 1.964 -3.878 1.00 . A A . 2 CY1 HD2 1 1
2 202 1 1 2 . HD3 H -0.564 3.423 -2.865 1.00 . A A . 2 CY1 HD3 1 1
2 203 1 1 2 . HE H 2.180 2.891 -2.708 1.00 . A A . 2 CY1 HE 1 1
2 204 1 1 2 . HM1 H 3.173 5.502 -3.788 1.00 . A A . 2 CY1 HM1 1 1
2 205 1 1 2 . HM2 H 3.217 4.905 -5.465 1.00 . A A . 2 CY1 HM2 1 1
2 206 1 1 2 . HM3 H 3.741 3.849 -4.134 1.00 . A A . 2 CY1 HM3 1 1
2 207 1 1 2 . N N -2.066 2.927 -0.120 1.00 . A A . 2 CY1 N 1 1
2 208 1 1 2 . NE N 1.436 3.203 -3.299 1.00 . A A . 2 CY1 NE 1 1
2 209 1 1 2 . O O -4.759 1.726 -1.665 1.00 . A A . 2 CY1 O 1 1
2 210 1 1 2 . OAC O 0.707 4.498 -5.014 1.00 . A A . 2 CY1 OAC 1 1
2 211 1 1 2 . SG S 0.351 1.539 -1.543 1.00 . A A . 2 CY1 SG 1 1
2 212 1 1 3 GLU C C -5.280 -0.500 1.846 1.00 . A A . 3 GLU C 1 1
2 213 1 1 3 GLU CA C -5.185 -0.207 0.342 1.00 . A A . 3 GLU CA 1 1
2 214 1 1 3 GLU CB C -5.344 -1.504 -0.477 1.00 . A A . 3 GLU CB 1 1
2 215 1 1 3 GLU CD C -6.914 -3.108 -1.643 1.00 . A A . 3 GLU CD 1 1
2 216 1 1 3 GLU CG C -6.790 -1.848 -0.808 1.00 . A A . 3 GLU CG 1 1
2 217 1 1 3 GLU H H -3.093 0.163 0.461 1.00 . A A . 3 GLU H 1 1
2 218 1 1 3 GLU HA H -5.983 0.471 0.077 1.00 . A A . 3 GLU HA 1 1
2 219 1 1 3 GLU HB2 H -4.801 -1.396 -1.408 1.00 . A A . 3 GLU HB2 1 1
2 220 1 1 3 GLU HB3 H -4.921 -2.327 0.089 1.00 . A A . 3 GLU HB3 1 1
2 221 1 1 3 GLU HG2 H -7.333 -1.993 0.115 1.00 . A A . 3 GLU HG2 1 1
2 222 1 1 3 GLU HG3 H -7.226 -1.025 -1.355 1.00 . A A . 3 GLU HG3 1 1
2 223 1 1 3 GLU N N -3.916 0.460 0.019 1.00 . A A . 3 GLU N 1 1
2 224 1 1 3 GLU O O -6.184 0.004 2.519 1.00 . A A . 3 GLU O 1 1
2 225 1 1 3 GLU OE1 O -6.880 -3.000 -2.887 1.00 . A A . 3 GLU OE1 1 1
2 226 1 1 3 GLU OE2 O -7.046 -4.201 -1.054 1.00 . A A . 3 GLU OE2 1 1
2 227 1 1 4 LEU C C -2.933 -1.614 4.347 1.00 . A A . 4 LEU C 1 1
2 228 1 1 4 LEU CA C -4.318 -1.674 3.784 1.00 . A A . 4 LEU CA 1 1
2 229 1 1 4 LEU CB C -4.981 -3.045 4.028 1.00 . A A . 4 LEU CB 1 1
2 230 1 1 4 LEU CD1 C -6.889 -4.488 3.275 1.00 . A A . 4 LEU CD1 1 1
2 231 1 1 4 LEU CD2 C -7.271 -2.748 5.026 1.00 . A A . 4 LEU CD2 1 1
2 232 1 1 4 LEU CG C -6.491 -3.105 3.766 1.00 . A A . 4 LEU CG 1 1
2 233 1 1 4 LEU H H -3.656 -1.678 1.777 1.00 . A A . 4 LEU H 1 1
2 234 1 1 4 LEU HA H -4.842 -0.929 4.301 1.00 . A A . 4 LEU HA 1 1
2 235 1 1 4 LEU HB2 H -4.499 -3.771 3.390 1.00 . A A . 4 LEU HB2 1 1
2 236 1 1 4 LEU HB3 H -4.807 -3.325 5.056 1.00 . A A . 4 LEU HB3 1 1
2 237 1 1 4 LEU HD11 H -7.957 -4.521 3.117 1.00 . A A . 4 LEU HD11 1 1
2 238 1 1 4 LEU HD12 H -6.612 -5.226 4.014 1.00 . A A . 4 LEU HD12 1 1
2 239 1 1 4 LEU HD13 H -6.381 -4.700 2.346 1.00 . A A . 4 LEU HD13 1 1
2 240 1 1 4 LEU HD21 H -7.030 -3.450 5.810 1.00 . A A . 4 LEU HD21 1 1
2 241 1 1 4 LEU HD22 H -8.330 -2.790 4.818 1.00 . A A . 4 LEU HD22 1 1
2 242 1 1 4 LEU HD23 H -7.007 -1.749 5.342 1.00 . A A . 4 LEU HD23 1 1
2 243 1 1 4 LEU HG H -6.747 -2.391 2.997 1.00 . A A . 4 LEU HG 1 1
2 244 1 1 4 LEU N N -4.344 -1.316 2.364 1.00 . A A . 4 LEU N 1 1
2 245 1 1 4 LEU O O -2.511 -2.475 5.133 1.00 . A A . 4 LEU O 1 1
2 246 1 1 5 CYS C C -0.456 0.984 3.691 1.00 . A A . 5 CYS C 1 1
2 247 1 1 5 CYS CA C -0.925 -0.270 4.393 1.00 . A A . 5 CYS CA 1 1
2 248 1 1 5 CYS CB C -0.048 -1.456 4.030 1.00 . A A . 5 CYS CB 1 1
2 249 1 1 5 CYS H H -2.626 0.078 3.331 1.00 . A A . 5 CYS H 1 1
2 250 1 1 5 CYS HA H -0.945 -0.126 5.447 1.00 . A A . 5 CYS HA 1 1
2 251 1 1 5 CYS HB2 H -0.700 -2.189 3.568 1.00 . A A . 5 CYS HB2 1 1
2 252 1 1 5 CYS HB3 H 0.709 -1.137 3.319 1.00 . A A . 5 CYS HB3 1 1
2 253 1 1 5 CYS N N -2.241 -0.542 3.963 1.00 . A A . 5 CYS N 1 1
2 254 1 1 5 CYS O O -1.257 1.848 3.315 1.00 . A A . 5 CYS O 1 1
2 255 1 1 5 CYS SG S 0.774 -2.244 5.453 1.00 . A A . 5 CYS SG 1 1
2 256 1 1 6 CYS C C 2.761 1.696 2.186 1.00 . A A . 6 CYS C 1 1
2 257 1 1 6 CYS CA C 1.472 2.163 2.831 1.00 . A A . 6 CYS CA 1 1
2 258 1 1 6 CYS CB C 1.675 3.404 3.721 1.00 . A A . 6 CYS CB 1 1
2 259 1 1 6 CYS H H 1.373 0.357 3.887 1.00 . A A . 6 CYS H 1 1
2 260 1 1 6 CYS HA H 0.799 2.390 2.029 1.00 . A A . 6 CYS HA 1 1
2 261 1 1 6 CYS HB2 H 0.743 3.642 4.211 1.00 . A A . 6 CYS HB2 1 1
2 262 1 1 6 CYS HB3 H 2.422 3.184 4.469 1.00 . A A . 6 CYS HB3 1 1
2 263 1 1 6 CYS N N 0.840 1.069 3.534 1.00 . A A . 6 CYS N 1 1
2 264 1 1 6 CYS O O 3.878 2.095 2.540 1.00 . A A . 6 CYS O 1 1
2 265 1 1 6 CYS SG S 2.217 4.890 2.816 1.00 . A A . 6 CYS SG 1 1
2 266 1 1 7 ASN C C 3.960 1.075 -0.770 1.00 . A A . 7 ASN C 1 1
2 267 1 1 7 ASN CA C 3.582 0.201 0.423 1.00 . A A . 7 ASN CA 1 1
2 268 1 1 7 ASN CB C 3.048 -1.117 -0.092 1.00 . A A . 7 ASN CB 1 1
2 269 1 1 7 ASN CG C 3.225 -2.275 0.883 1.00 . A A . 7 ASN CG 1 1
2 270 1 1 7 ASN H H 1.614 0.526 1.086 1.00 . A A . 7 ASN H 1 1
2 271 1 1 7 ASN HA H 4.448 0.020 1.023 1.00 . A A . 7 ASN HA 1 1
2 272 1 1 7 ASN HB2 H 1.987 -0.991 -0.287 1.00 . A A . 7 ASN HB2 1 1
2 273 1 1 7 ASN HB3 H 3.558 -1.354 -1.013 1.00 . A A . 7 ASN HB3 1 1
2 274 1 1 7 ASN HD21 H 2.830 -1.095 2.439 1.00 . A A . 7 ASN HD21 1 1
2 275 1 1 7 ASN HD22 H 3.170 -2.746 2.817 1.00 . A A . 7 ASN HD22 1 1
2 276 1 1 7 ASN N N 2.543 0.811 1.233 1.00 . A A . 7 ASN N 1 1
2 277 1 1 7 ASN ND2 N 3.058 -2.012 2.178 1.00 . A A . 7 ASN ND2 1 1
2 278 1 1 7 ASN O O 3.069 1.627 -1.421 1.00 . A A . 7 ASN O 1 1
2 279 1 1 7 ASN OD1 O 3.499 -3.402 0.471 1.00 . A A . 7 ASN OD1 1 1
2 280 1 1 8 PRO C C 5.439 1.280 -3.523 1.00 . A A . 8 PRO C 1 1
2 281 1 1 8 PRO CA C 5.697 2.021 -2.243 1.00 . A A . 8 PRO CA 1 1
2 282 1 1 8 PRO CB C 7.178 2.322 -1.993 1.00 . A A . 8 PRO CB 1 1
2 283 1 1 8 PRO CD C 6.454 0.721 -0.324 1.00 . A A . 8 PRO CD 1 1
2 284 1 1 8 PRO CG C 7.656 1.221 -1.098 1.00 . A A . 8 PRO CG 1 1
2 285 1 1 8 PRO HA H 5.119 2.928 -2.317 1.00 . A A . 8 PRO HA 1 1
2 286 1 1 8 PRO HB2 H 7.707 2.331 -2.940 1.00 . A A . 8 PRO HB2 1 1
2 287 1 1 8 PRO HB3 H 7.278 3.280 -1.508 1.00 . A A . 8 PRO HB3 1 1
2 288 1 1 8 PRO HD2 H 6.445 -0.359 -0.298 1.00 . A A . 8 PRO HD2 1 1
2 289 1 1 8 PRO HD3 H 6.463 1.119 0.681 1.00 . A A . 8 PRO HD3 1 1
2 290 1 1 8 PRO HG2 H 8.075 0.423 -1.698 1.00 . A A . 8 PRO HG2 1 1
2 291 1 1 8 PRO HG3 H 8.399 1.602 -0.414 1.00 . A A . 8 PRO HG3 1 1
2 292 1 1 8 PRO N N 5.283 1.237 -1.082 1.00 . A A . 8 PRO N 1 1
2 293 1 1 8 PRO O O 6.275 0.564 -4.087 1.00 . A A . 8 PRO O 1 1
2 294 1 1 9 ALA C C 3.458 -0.611 -5.046 1.00 . A A . 9 ALA C 1 1
2 295 1 1 9 ALA CA C 3.599 0.929 -5.105 1.00 . A A . 9 ALA CA 1 1
2 296 1 1 9 ALA CB C 4.329 1.378 -6.379 1.00 . A A . 9 ALA CB 1 1
2 297 1 1 9 ALA H H 3.641 2.066 -3.369 1.00 . A A . 9 ALA H 1 1
2 298 1 1 9 ALA HA H 2.627 1.367 -5.118 1.00 . A A . 9 ALA HA 1 1
2 299 1 1 9 ALA HB1 H 5.319 0.947 -6.397 1.00 . A A . 9 ALA HB1 1 1
2 300 1 1 9 ALA HB2 H 4.405 2.455 -6.389 1.00 . A A . 9 ALA HB2 1 1
2 301 1 1 9 ALA HB3 H 3.776 1.049 -7.246 1.00 . A A . 9 ALA HB3 1 1
2 302 1 1 9 ALA N N 4.200 1.484 -3.924 1.00 . A A . 9 ALA N 1 1
2 303 1 1 9 ALA O O 3.262 -1.256 -6.084 1.00 . A A . 9 ALA O 1 1
2 304 1 1 10 . C C 1.992 -3.107 -3.480 1.00 . A A . 10 CY1 C 1 1
2 305 1 1 10 . CA C 3.422 -2.661 -3.705 1.00 . A A . 10 CY1 CA 1 1
2 306 1 1 10 . CB C 4.272 -3.164 -2.562 1.00 . A A . 10 CY1 CB 1 1
2 307 1 1 10 . CD C 5.767 -5.047 -1.120 1.00 . A A . 10 CY1 CD 1 1
2 308 1 1 10 . CM C 7.553 -8.233 -0.003 1.00 . A A . 10 CY1 CM 1 1
2 309 1 1 10 . CZ C 7.146 -6.758 -0.018 1.00 . A A . 10 CY1 CZ 1 1
2 310 1 1 10 . H H 3.548 -0.662 -2.994 1.00 . A A . 10 CY1 H 1 1
2 311 1 1 10 . HA H 3.777 -3.092 -4.618 1.00 . A A . 10 CY1 HA 1 1
2 312 1 1 10 . HB2 H 5.077 -2.562 -2.278 1.00 . A A . 10 CY1 HB2 1 1
2 313 1 1 10 . HB3 H 3.557 -2.898 -1.708 1.00 . A A . 10 CY1 HB3 1 1
2 314 1 1 10 . HD2 H 5.226 -4.752 -0.221 1.00 . A A . 10 CY1 HD2 1 1
2 315 1 1 10 . HD3 H 6.608 -4.371 -1.272 1.00 . A A . 10 CY1 HD3 1 1
2 316 1 1 10 . HE H 5.891 -7.081 -1.622 1.00 . A A . 10 CY1 HE 1 1
2 317 1 1 10 . HM1 H 8.575 -8.326 0.364 1.00 . A A . 10 CY1 HM1 1 1
2 318 1 1 10 . HM2 H 7.490 -8.637 -1.014 1.00 . A A . 10 CY1 HM2 1 1
2 319 1 1 10 . HM3 H 6.879 -8.787 0.650 1.00 . A A . 10 CY1 HM3 1 1
2 320 1 1 10 . N N 3.530 -1.201 -3.828 1.00 . A A . 10 CY1 N 1 1
2 321 1 1 10 . NE N 6.262 -6.423 -0.967 1.00 . A A . 10 CY1 NE 1 1
2 322 1 1 10 . O O 1.460 -3.955 -4.201 1.00 . A A . 10 CY1 O 1 1
2 323 1 1 10 . OAC O 7.618 -5.963 0.794 1.00 . A A . 10 CY1 OAC 1 1
2 324 1 1 10 . SG S 4.648 -4.955 -2.565 1.00 . A A . 10 CY1 SG 1 1
2 325 1 1 11 THR C C -0.144 -4.177 -1.533 1.00 . A A . 11 THR C 1 1
2 326 1 1 11 THR CA C 0.037 -2.753 -1.993 1.00 . A A . 11 THR CA 1 1
2 327 1 1 11 THR CB C -1.034 -2.328 -3.014 1.00 . A A . 11 THR CB 1 1
2 328 1 1 11 THR CG2 C -2.432 -2.251 -2.397 1.00 . A A . 11 THR CG2 1 1
2 329 1 1 11 THR H H 1.995 -2.017 -1.873 1.00 . A A . 11 THR H 1 1
2 330 1 1 11 THR HA H -0.077 -2.171 -1.134 1.00 . A A . 11 THR HA 1 1
2 331 1 1 11 THR HB H -1.033 -3.060 -3.776 1.00 . A A . 11 THR HB 1 1
2 332 1 1 11 THR HG1 H -1.480 -0.666 -3.981 1.00 . A A . 11 THR HG1 1 1
2 333 1 1 11 THR HG21 H -2.803 -3.251 -2.222 1.00 . A A . 11 THR HG21 1 1
2 334 1 1 11 THR HG22 H -3.097 -1.734 -3.073 1.00 . A A . 11 THR HG22 1 1
2 335 1 1 11 THR HG23 H -2.384 -1.718 -1.460 1.00 . A A . 11 THR HG23 1 1
2 336 1 1 11 THR N N 1.388 -2.506 -2.452 1.00 . A A . 11 THR N 1 1
2 337 1 1 11 THR O O -0.687 -5.040 -2.236 1.00 . A A . 11 THR O 1 1
2 338 1 1 11 THR OG1 O -0.697 -1.059 -3.587 1.00 . A A . 11 THR OG1 1 1
2 339 1 1 12 GLY C C 1.012 -5.806 1.584 1.00 . A A . 12 GLY C 1 1
2 340 1 1 12 GLY CA C 0.264 -5.679 0.283 1.00 . A A . 12 GLY CA 1 1
2 341 1 1 12 GLY H H 0.845 -3.659 0.110 1.00 . A A . 12 GLY H 1 1
2 342 1 1 12 GLY HA2 H -0.779 -5.902 0.452 1.00 . A A . 12 GLY HA2 1 1
2 343 1 1 12 GLY HA3 H 0.669 -6.353 -0.401 1.00 . A A . 12 GLY HA3 1 1
2 344 1 1 12 GLY N N 0.361 -4.389 -0.333 1.00 . A A . 12 GLY N 1 1
2 345 1 1 12 GLY O O 1.467 -6.889 1.961 1.00 . A A . 12 GLY O 1 1
2 346 1 1 13 CYS C C 3.257 -5.008 3.521 1.00 . A A . 13 CYS C 1 1
2 347 1 1 13 CYS CA C 1.802 -4.512 3.552 1.00 . A A . 13 CYS CA 1 1
2 348 1 1 13 CYS CB C 1.025 -5.185 4.697 1.00 . A A . 13 CYS CB 1 1
2 349 1 1 13 CYS H H 0.699 -3.911 1.836 1.00 . A A . 13 CYS H 1 1
2 350 1 1 13 CYS HA H 1.823 -3.448 3.749 1.00 . A A . 13 CYS HA 1 1
2 351 1 1 13 CYS HB2 H 0.444 -6.002 4.298 1.00 . A A . 13 CYS HB2 1 1
2 352 1 1 13 CYS HB3 H 1.728 -5.570 5.422 1.00 . A A . 13 CYS HB3 1 1
2 353 1 1 13 CYS N N 1.114 -4.678 2.250 1.00 . A A . 13 CYS N 1 1
2 354 1 1 13 CYS O O 4.168 -4.155 3.552 1.00 . A A . 13 CYS O 1 1
2 355 1 1 13 CYS OXT O 3.472 -6.239 3.459 1.00 . A A . 13 CYS OXT 1 1
2 356 1 1 13 CYS SG S -0.120 -4.067 5.573 1.00 . A A . 13 CYS SG 1 1
3 357 1 1 1 CYS C C -2.013 4.559 0.410 1.00 . A A . 1 CYS C 1 1
3 358 1 1 1 CYS CA C -1.833 5.139 1.813 1.00 . A A . 1 CYS CA 1 1
3 359 1 1 1 CYS CB C -0.348 5.411 2.074 1.00 . A A . 1 CYS CB 1 1
3 360 1 1 1 CYS H1 H -3.394 4.069 2.692 1.00 . A A . 1 CYS H1 1 1
3 361 1 1 1 CYS H2 H -2.238 4.626 3.795 1.00 . A A . 1 CYS H2 1 1
3 362 1 1 1 CYS H3 H -1.890 3.302 2.802 1.00 . A A . 1 CYS H3 1 1
3 363 1 1 1 CYS HA H -2.376 6.071 1.872 1.00 . A A . 1 CYS HA 1 1
3 364 1 1 1 CYS HB2 H 0.227 4.549 1.772 1.00 . A A . 1 CYS HB2 1 1
3 365 1 1 1 CYS HB3 H -0.039 6.265 1.488 1.00 . A A . 1 CYS HB3 1 1
3 366 1 1 1 CYS N N -2.377 4.220 2.848 1.00 . A A . 1 CYS N 1 1
3 367 1 1 1 CYS O O -2.319 5.296 -0.533 1.00 . A A . 1 CYS O 1 1
3 368 1 1 1 CYS SG S 0.050 5.760 3.817 1.00 . A A . 1 CYS SG 1 1
3 369 1 1 2 . C C -3.332 1.870 -1.113 1.00 . A A . 2 CY1 C 1 1
3 370 1 1 2 . CA C -1.960 2.548 -1.000 1.00 . A A . 2 CY1 CA 1 1
3 371 1 1 2 . CB C -0.844 1.553 -1.180 1.00 . A A . 2 CY1 CB 1 1
3 372 1 1 2 . CD C -0.075 2.066 -3.834 1.00 . A A . 2 CY1 CD 1 1
3 373 1 1 2 . CM C -2.605 4.832 -4.559 1.00 . A A . 2 CY1 CM 1 1
3 374 1 1 2 . CZ C -1.656 3.663 -4.830 1.00 . A A . 2 CY1 CZ 1 1
3 375 1 1 2 . H H -0.937 3.544 0.569 1.00 . A A . 2 CY1 H 1 1
3 376 1 1 2 . HA H -1.878 3.277 -1.771 1.00 . A A . 2 CY1 HA 1 1
3 377 1 1 2 . HB2 H 0.105 1.846 -0.818 1.00 . A A . 2 CY1 HB2 1 1
3 378 1 1 2 . HB3 H -1.140 0.839 -0.347 1.00 . A A . 2 CY1 HB3 1 1
3 379 1 1 2 . HD2 H 0.855 2.415 -3.382 1.00 . A A . 2 CY1 HD2 1 1
3 380 1 1 2 . HD3 H 0.003 1.814 -4.889 1.00 . A A . 2 CY1 HD3 1 1
3 381 1 1 2 . HE H -1.136 3.577 -2.836 1.00 . A A . 2 CY1 HE 1 1
3 382 1 1 2 . HM1 H -3.430 4.805 -5.271 1.00 . A A . 2 CY1 HM1 1 1
3 383 1 1 2 . HM2 H -2.064 5.772 -4.662 1.00 . A A . 2 CY1 HM2 1 1
3 384 1 1 2 . HM3 H -2.997 4.751 -3.544 1.00 . A A . 2 CY1 HM3 1 1
3 385 1 1 2 . N N -1.823 3.239 0.282 1.00 . A A . 2 CY1 N 1 1
3 386 1 1 2 . NE N -1.023 3.186 -3.750 1.00 . A A . 2 CY1 NE 1 1
3 387 1 1 2 . O O -4.142 2.251 -1.962 1.00 . A A . 2 CY1 O 1 1
3 388 1 1 2 . OAC O -1.508 3.218 -5.967 1.00 . A A . 2 CY1 OAC 1 1
3 389 1 1 2 . SG S -0.766 0.718 -2.806 1.00 . A A . 2 CY1 SG 1 1
3 390 1 1 3 GLU C C -5.133 -0.466 1.153 1.00 . A A . 3 GLU C 1 1
3 391 1 1 3 GLU CA C -4.862 0.127 -0.238 1.00 . A A . 3 GLU CA 1 1
3 392 1 1 3 GLU CB C -4.871 -0.985 -1.307 1.00 . A A . 3 GLU CB 1 1
3 393 1 1 3 GLU CD C -6.229 -2.367 -2.934 1.00 . A A . 3 GLU CD 1 1
3 394 1 1 3 GLU CG C -6.254 -1.281 -1.875 1.00 . A A . 3 GLU CG 1 1
3 395 1 1 3 GLU H H -2.874 0.595 0.364 1.00 . A A . 3 GLU H 1 1
3 396 1 1 3 GLU HA H -5.646 0.835 -0.465 1.00 . A A . 3 GLU HA 1 1
3 397 1 1 3 GLU HB2 H -4.228 -0.685 -2.126 1.00 . A A . 3 GLU HB2 1 1
3 398 1 1 3 GLU HB3 H -4.484 -1.896 -0.865 1.00 . A A . 3 GLU HB3 1 1
3 399 1 1 3 GLU HG2 H -6.899 -1.601 -1.071 1.00 . A A . 3 GLU HG2 1 1
3 400 1 1 3 GLU HG3 H -6.649 -0.378 -2.316 1.00 . A A . 3 GLU HG3 1 1
3 401 1 1 3 GLU N N -3.588 0.862 -0.252 1.00 . A A . 3 GLU N 1 1
3 402 1 1 3 GLU O O -6.171 -0.179 1.757 1.00 . A A . 3 GLU O 1 1
3 403 1 1 3 GLU OE1 O -6.379 -3.552 -2.572 1.00 . A A . 3 GLU OE1 1 1
3 404 1 1 3 GLU OE2 O -6.058 -2.031 -4.125 1.00 . A A . 3 GLU OE2 1 1
3 405 1 1 4 LEU C C -3.048 -1.878 3.749 1.00 . A A . 4 LEU C 1 1
3 406 1 1 4 LEU CA C -4.327 -1.925 2.971 1.00 . A A . 4 LEU CA 1 1
3 407 1 1 4 LEU CB C -4.901 -3.359 2.861 1.00 . A A . 4 LEU CB 1 1
3 408 1 1 4 LEU CD1 C -3.071 -5.058 2.512 1.00 . A A . 4 LEU CD1 1 1
3 409 1 1 4 LEU CD2 C -5.216 -5.251 1.237 1.00 . A A . 4 LEU CD2 1 1
3 410 1 1 4 LEU CG C -4.209 -4.290 1.853 1.00 . A A . 4 LEU CG 1 1
3 411 1 1 4 LEU H H -3.398 -1.474 1.122 1.00 . A A . 4 LEU H 1 1
3 412 1 1 4 LEU HA H -4.981 -1.330 3.528 1.00 . A A . 4 LEU HA 1 1
3 413 1 1 4 LEU HB2 H -4.841 -3.819 3.836 1.00 . A A . 4 LEU HB2 1 1
3 414 1 1 4 LEU HB3 H -5.943 -3.282 2.586 1.00 . A A . 4 LEU HB3 1 1
3 415 1 1 4 LEU HD11 H -2.594 -5.694 1.780 1.00 . A A . 4 LEU HD11 1 1
3 416 1 1 4 LEU HD12 H -3.464 -5.665 3.314 1.00 . A A . 4 LEU HD12 1 1
3 417 1 1 4 LEU HD13 H -2.349 -4.361 2.909 1.00 . A A . 4 LEU HD13 1 1
3 418 1 1 4 LEU HD21 H -4.710 -5.905 0.542 1.00 . A A . 4 LEU HD21 1 1
3 419 1 1 4 LEU HD22 H -5.977 -4.690 0.715 1.00 . A A . 4 LEU HD22 1 1
3 420 1 1 4 LEU HD23 H -5.674 -5.841 2.017 1.00 . A A . 4 LEU HD23 1 1
3 421 1 1 4 LEU HG H -3.789 -3.691 1.058 1.00 . A A . 4 LEU HG 1 1
3 422 1 1 4 LEU N N -4.196 -1.292 1.651 1.00 . A A . 4 LEU N 1 1
3 423 1 1 4 LEU O O -2.737 -2.776 4.545 1.00 . A A . 4 LEU O 1 1
3 424 1 1 5 CYS C C -0.580 0.795 3.661 1.00 . A A . 5 CYS C 1 1
3 425 1 1 5 CYS CA C -1.107 -0.515 4.192 1.00 . A A . 5 CYS CA 1 1
3 426 1 1 5 CYS CB C -0.150 -1.652 3.889 1.00 . A A . 5 CYS CB 1 1
3 427 1 1 5 CYS H H -2.625 -0.131 2.886 1.00 . A A . 5 CYS H 1 1
3 428 1 1 5 CYS HA H -1.296 -0.449 5.236 1.00 . A A . 5 CYS HA 1 1
3 429 1 1 5 CYS HB2 H -0.722 -2.393 3.348 1.00 . A A . 5 CYS HB2 1 1
3 430 1 1 5 CYS HB3 H 0.655 -1.285 3.262 1.00 . A A . 5 CYS HB3 1 1
3 431 1 1 5 CYS N N -2.331 -0.778 3.541 1.00 . A A . 5 CYS N 1 1
3 432 1 1 5 CYS O O -1.348 1.697 3.310 1.00 . A A . 5 CYS O 1 1
3 433 1 1 5 CYS SG S 0.564 -2.446 5.366 1.00 . A A . 5 CYS SG 1 1
3 434 1 1 6 CYS C C 2.682 1.635 2.398 1.00 . A A . 6 CYS C 1 1
3 435 1 1 6 CYS CA C 1.391 2.038 3.072 1.00 . A A . 6 CYS CA 1 1
3 436 1 1 6 CYS CB C 1.591 3.161 4.106 1.00 . A A . 6 CYS CB 1 1
3 437 1 1 6 CYS H H 1.231 0.145 3.939 1.00 . A A . 6 CYS H 1 1
3 438 1 1 6 CYS HA H 0.740 2.363 2.292 1.00 . A A . 6 CYS HA 1 1
3 439 1 1 6 CYS HB2 H 2.101 2.759 4.969 1.00 . A A . 6 CYS HB2 1 1
3 440 1 1 6 CYS HB3 H 2.198 3.940 3.667 1.00 . A A . 6 CYS HB3 1 1
3 441 1 1 6 CYS N N 0.722 0.886 3.616 1.00 . A A . 6 CYS N 1 1
3 442 1 1 6 CYS O O 3.799 1.968 2.816 1.00 . A A . 6 CYS O 1 1
3 443 1 1 6 CYS SG S 0.042 3.925 4.689 1.00 . A A . 6 CYS SG 1 1
3 444 1 1 7 ASN C C 3.694 1.230 -0.758 1.00 . A A . 7 ASN C 1 1
3 445 1 1 7 ASN CA C 3.506 0.364 0.484 1.00 . A A . 7 ASN CA 1 1
3 446 1 1 7 ASN CB C 3.099 -1.018 0.054 1.00 . A A . 7 ASN CB 1 1
3 447 1 1 7 ASN CG C 3.533 -2.085 1.038 1.00 . A A . 7 ASN CG 1 1
3 448 1 1 7 ASN H H 1.534 0.630 1.154 1.00 . A A . 7 ASN H 1 1
3 449 1 1 7 ASN HA H 4.427 0.310 1.026 1.00 . A A . 7 ASN HA 1 1
3 450 1 1 7 ASN HB2 H 2.017 -1.037 -0.030 1.00 . A A . 7 ASN HB2 1 1
3 451 1 1 7 ASN HB3 H 3.542 -1.225 -0.907 1.00 . A A . 7 ASN HB3 1 1
3 452 1 1 7 ASN HD21 H 1.917 -1.751 2.144 1.00 . A A . 7 ASN HD21 1 1
3 453 1 1 7 ASN HD22 H 2.988 -2.973 2.729 1.00 . A A . 7 ASN HD22 1 1
3 454 1 1 7 ASN N N 2.464 0.883 1.343 1.00 . A A . 7 ASN N 1 1
3 455 1 1 7 ASN ND2 N 2.732 -2.290 2.074 1.00 . A A . 7 ASN ND2 1 1
3 456 1 1 7 ASN O O 2.709 1.537 -1.441 1.00 . A A . 7 ASN O 1 1
3 457 1 1 7 ASN OD1 O 4.581 -2.709 0.874 1.00 . A A . 7 ASN OD1 1 1
3 458 1 1 8 PRO C C 5.143 1.593 -3.524 1.00 . A A . 8 PRO C 1 1
3 459 1 1 8 PRO CA C 5.193 2.447 -2.287 1.00 . A A . 8 PRO CA 1 1
3 460 1 1 8 PRO CB C 6.559 3.100 -2.047 1.00 . A A . 8 PRO CB 1 1
3 461 1 1 8 PRO CD C 6.198 1.455 -0.300 1.00 . A A . 8 PRO CD 1 1
3 462 1 1 8 PRO CG C 7.263 2.197 -1.082 1.00 . A A . 8 PRO CG 1 1
3 463 1 1 8 PRO HA H 4.424 3.194 -2.421 1.00 . A A . 8 PRO HA 1 1
3 464 1 1 8 PRO HB2 H 7.090 3.176 -2.989 1.00 . A A . 8 PRO HB2 1 1
3 465 1 1 8 PRO HB3 H 6.423 4.081 -1.623 1.00 . A A . 8 PRO HB3 1 1
3 466 1 1 8 PRO HD2 H 6.441 0.404 -0.237 1.00 . A A . 8 PRO HD2 1 1
3 467 1 1 8 PRO HD3 H 6.100 1.876 0.691 1.00 . A A . 8 PRO HD3 1 1
3 468 1 1 8 PRO HG2 H 7.884 1.498 -1.627 1.00 . A A . 8 PRO HG2 1 1
3 469 1 1 8 PRO HG3 H 7.870 2.784 -0.408 1.00 . A A . 8 PRO HG3 1 1
3 470 1 1 8 PRO N N 4.950 1.659 -1.083 1.00 . A A . 8 PRO N 1 1
3 471 1 1 8 PRO O O 6.131 1.029 -4.010 1.00 . A A . 8 PRO O 1 1
3 472 1 1 9 ALA C C 3.514 -0.755 -4.956 1.00 . A A . 9 ALA C 1 1
3 473 1 1 9 ALA CA C 3.482 0.781 -5.144 1.00 . A A . 9 ALA CA 1 1
3 474 1 1 9 ALA CB C 4.256 1.209 -6.399 1.00 . A A . 9 ALA CB 1 1
3 475 1 1 9 ALA H H 3.214 1.989 -3.474 1.00 . A A . 9 ALA H 1 1
3 476 1 1 9 ALA HA H 2.470 1.089 -5.274 1.00 . A A . 9 ALA HA 1 1
3 477 1 1 9 ALA HB1 H 5.289 0.905 -6.307 1.00 . A A . 9 ALA HB1 1 1
3 478 1 1 9 ALA HB2 H 4.205 2.282 -6.505 1.00 . A A . 9 ALA HB2 1 1
3 479 1 1 9 ALA HB3 H 3.819 0.741 -7.269 1.00 . A A . 9 ALA HB3 1 1
3 480 1 1 9 ALA N N 3.906 1.510 -3.976 1.00 . A A . 9 ALA N 1 1
3 481 1 1 9 ALA O O 3.458 -1.499 -5.945 1.00 . A A . 9 ALA O 1 1
3 482 1 1 10 . C C 2.226 -3.253 -3.226 1.00 . A A . 10 CY1 C 1 1
3 483 1 1 10 . CA C 3.612 -2.690 -3.457 1.00 . A A . 10 CY1 CA 1 1
3 484 1 1 10 . CB C 4.470 -3.027 -2.262 1.00 . A A . 10 CY1 CB 1 1
3 485 1 1 10 . CD C 5.853 -5.023 -3.666 1.00 . A A . 10 CY1 CD 1 1
3 486 1 1 10 . CM C 7.433 -8.331 -4.737 1.00 . A A . 10 CY1 CM 1 1
3 487 1 1 10 . CZ C 7.008 -6.864 -4.818 1.00 . A A . 10 CY1 CZ 1 1
3 488 1 1 10 . H H 3.490 -0.641 -2.906 1.00 . A A . 10 CY1 H 1 1
3 489 1 1 10 . HA H 4.028 -3.150 -4.323 1.00 . A A . 10 CY1 HA 1 1
3 490 1 1 10 . HB2 H 5.228 -2.349 -2.025 1.00 . A A . 10 CY1 HB2 1 1
3 491 1 1 10 . HB3 H 3.723 -2.731 -1.446 1.00 . A A . 10 CY1 HB3 1 1
3 492 1 1 10 . HD2 H 6.700 -4.339 -3.715 1.00 . A A . 10 CY1 HD2 1 1
3 493 1 1 10 . HD3 H 5.178 -4.820 -4.498 1.00 . A A . 10 CY1 HD3 1 1
3 494 1 1 10 . HE H 6.122 -6.981 -2.958 1.00 . A A . 10 CY1 HE 1 1
3 495 1 1 10 . HM1 H 6.716 -8.887 -4.133 1.00 . A A . 10 CY1 HM1 1 1
3 496 1 1 10 . HM2 H 8.422 -8.399 -4.284 1.00 . A A . 10 CY1 HM2 1 1
3 497 1 1 10 . HM3 H 7.467 -8.752 -5.742 1.00 . A A . 10 CY1 HM3 1 1
3 498 1 1 10 . N N 3.577 -1.238 -3.692 1.00 . A A . 10 CY1 N 1 1
3 499 1 1 10 . NE N 6.335 -6.410 -3.751 1.00 . A A . 10 CY1 NE 1 1
3 500 1 1 10 . O O 1.843 -4.276 -3.799 1.00 . A A . 10 CY1 O 1 1
3 501 1 1 10 . OAC O 7.277 -6.179 -5.803 1.00 . A A . 10 CY1 OAC 1 1
3 502 1 1 10 . SG S 4.959 -4.781 -2.088 1.00 . A A . 10 CY1 SG 1 1
3 503 1 1 11 THR C C -0.034 -4.310 -1.520 1.00 . A A . 11 THR C 1 1
3 504 1 1 11 THR CA C 0.136 -2.863 -1.921 1.00 . A A . 11 THR CA 1 1
3 505 1 1 11 THR CB C -0.993 -2.369 -2.889 1.00 . A A . 11 THR CB 1 1
3 506 1 1 11 THR CG2 C -0.885 -2.958 -4.300 1.00 . A A . 11 THR CG2 1 1
3 507 1 1 11 THR H H 2.113 -2.129 -1.739 1.00 . A A . 11 THR H 1 1
3 508 1 1 11 THR HA H 0.039 -2.329 -1.004 1.00 . A A . 11 THR HA 1 1
3 509 1 1 11 THR HB H -0.910 -1.296 -2.966 1.00 . A A . 11 THR HB 1 1
3 510 1 1 11 THR HG1 H -2.961 -2.493 -3.004 1.00 . A A . 11 THR HG1 1 1
3 511 1 1 11 THR HG21 H -1.693 -2.582 -4.911 1.00 . A A . 11 THR HG21 1 1
3 512 1 1 11 THR HG22 H -0.947 -4.035 -4.246 1.00 . A A . 11 THR HG22 1 1
3 513 1 1 11 THR HG23 H 0.060 -2.674 -4.738 1.00 . A A . 11 THR HG23 1 1
3 514 1 1 11 THR N N 1.489 -2.548 -2.367 1.00 . A A . 11 THR N 1 1
3 515 1 1 11 THR O O -0.581 -5.145 -2.252 1.00 . A A . 11 THR O 1 1
3 516 1 1 11 THR OG1 O -2.285 -2.680 -2.348 1.00 . A A . 11 THR OG1 1 1
3 517 1 1 12 GLY C C 1.061 -6.039 1.566 1.00 . A A . 12 GLY C 1 1
3 518 1 1 12 GLY CA C 0.398 -5.886 0.222 1.00 . A A . 12 GLY CA 1 1
3 519 1 1 12 GLY H H 0.961 -3.859 0.137 1.00 . A A . 12 GLY H 1 1
3 520 1 1 12 GLY HA2 H -0.643 -6.158 0.310 1.00 . A A . 12 GLY HA2 1 1
3 521 1 1 12 GLY HA3 H 0.877 -6.510 -0.460 1.00 . A A . 12 GLY HA3 1 1
3 522 1 1 12 GLY N N 0.480 -4.571 -0.334 1.00 . A A . 12 GLY N 1 1
3 523 1 1 12 GLY O O 1.498 -7.127 1.950 1.00 . A A . 12 GLY O 1 1
3 524 1 1 13 CYS C C 3.140 -5.328 3.688 1.00 . A A . 13 CYS C 1 1
3 525 1 1 13 CYS CA C 1.706 -4.777 3.608 1.00 . A A . 13 CYS CA 1 1
3 526 1 1 13 CYS CB C 0.819 -5.409 4.696 1.00 . A A . 13 CYS CB 1 1
3 527 1 1 13 CYS H H 0.714 -4.155 1.836 1.00 . A A . 13 CYS H 1 1
3 528 1 1 13 CYS HA H 1.751 -3.712 3.799 1.00 . A A . 13 CYS HA 1 1
3 529 1 1 13 CYS HB2 H 0.258 -6.225 4.264 1.00 . A A . 13 CYS HB2 1 1
3 530 1 1 13 CYS HB3 H 1.448 -5.790 5.488 1.00 . A A . 13 CYS HB3 1 1
3 531 1 1 13 CYS N N 1.108 -4.925 2.261 1.00 . A A . 13 CYS N 1 1
3 532 1 1 13 CYS O O 3.308 -6.568 3.711 1.00 . A A . 13 CYS O 1 1
3 533 1 1 13 CYS OXT O 4.081 -4.508 3.726 1.00 . A A . 13 CYS OXT 1 1
3 534 1 1 13 CYS SG S -0.376 -4.249 5.442 1.00 . A A . 13 CYS SG 1 1
4 535 1 1 1 CYS C C -1.984 4.161 -0.398 1.00 . A A . 1 CYS C 1 1
4 536 1 1 1 CYS CA C -1.706 5.346 0.529 1.00 . A A . 1 CYS CA 1 1
4 537 1 1 1 CYS CB C -0.205 5.409 0.853 1.00 . A A . 1 CYS CB 1 1
4 538 1 1 1 CYS H1 H -2.265 4.359 2.282 1.00 . A A . 1 CYS H1 1 1
4 539 1 1 1 CYS H2 H -3.522 5.224 1.553 1.00 . A A . 1 CYS H2 1 1
4 540 1 1 1 CYS H3 H -2.312 6.046 2.401 1.00 . A A . 1 CYS H3 1 1
4 541 1 1 1 CYS HA H -1.997 6.255 0.022 1.00 . A A . 1 CYS HA 1 1
4 542 1 1 1 CYS HB2 H 0.204 4.412 0.812 1.00 . A A . 1 CYS HB2 1 1
4 543 1 1 1 CYS HB3 H 0.288 6.023 0.113 1.00 . A A . 1 CYS HB3 1 1
4 544 1 1 1 CYS N N -2.507 5.236 1.778 1.00 . A A . 1 CYS N 1 1
4 545 1 1 1 CYS O O -2.141 4.335 -1.609 1.00 . A A . 1 CYS O 1 1
4 546 1 1 1 CYS SG S 0.189 6.098 2.495 1.00 . A A . 1 CYS SG 1 1
4 547 1 1 2 . C C -3.662 1.129 -0.134 1.00 . A A . 2 CY1 C 1 1
4 548 1 1 2 . CA C -2.298 1.716 -0.537 1.00 . A A . 2 CY1 CA 1 1
4 549 1 1 2 . CB C -1.180 0.753 -0.272 1.00 . A A . 2 CY1 CB 1 1
4 550 1 1 2 . CD C 0.392 1.264 -2.545 1.00 . A A . 2 CY1 CD 1 1
4 551 1 1 2 . CM C -2.257 3.252 -4.446 1.00 . A A . 2 CY1 CM 1 1
4 552 1 1 2 . CZ C -1.129 2.246 -4.204 1.00 . A A . 2 CY1 CZ 1 1
4 553 1 1 2 . H H -1.135 3.329 0.206 1.00 . A A . 2 CY1 H 1 1
4 554 1 1 2 . HA H -2.302 1.930 -1.576 1.00 . A A . 2 CY1 HA 1 1
4 555 1 1 2 . HB2 H -1.220 0.290 0.650 1.00 . A A . 2 CY1 HB2 1 1
4 556 1 1 2 . HB3 H -1.531 -0.124 -0.930 1.00 . A A . 2 CY1 HB3 1 1
4 557 1 1 2 . HD2 H 1.312 1.674 -2.967 1.00 . A A . 2 CY1 HD2 1 1
4 558 1 1 2 . HD3 H 0.117 0.285 -2.931 1.00 . A A . 2 CY1 HD3 1 1
4 559 1 1 2 . HE H -1.054 2.747 -2.204 1.00 . A A . 2 CY1 HE 1 1
4 560 1 1 2 . HM1 H -2.102 4.132 -3.822 1.00 . A A . 2 CY1 HM1 1 1
4 561 1 1 2 . HM2 H -3.213 2.792 -4.198 1.00 . A A . 2 CY1 HM2 1 1
4 562 1 1 2 . HM3 H -2.260 3.545 -5.496 1.00 . A A . 2 CY1 HM3 1 1
4 563 1 1 2 . N N -2.044 2.960 0.190 1.00 . A A . 2 CY1 N 1 1
4 564 1 1 2 . NE N -0.687 2.179 -2.941 1.00 . A A . 2 CY1 NE 1 1
4 565 1 1 2 . O O -4.544 1.870 0.313 1.00 . A A . 2 CY1 O 1 1
4 566 1 1 2 . OAC O -0.684 1.562 -5.125 1.00 . A A . 2 CY1 OAC 1 1
4 567 1 1 2 . SG S 0.498 1.330 -0.719 1.00 . A A . 2 CY1 SG 1 1
4 568 1 1 3 GLU C C -5.210 -1.126 1.557 1.00 . A A . 3 GLU C 1 1
4 569 1 1 3 GLU CA C -5.088 -0.883 0.046 1.00 . A A . 3 GLU CA 1 1
4 570 1 1 3 GLU CB C -5.202 -2.212 -0.719 1.00 . A A . 3 GLU CB 1 1
4 571 1 1 3 GLU CD C -6.968 -1.756 -2.488 1.00 . A A . 3 GLU CD 1 1
4 572 1 1 3 GLU CG C -5.505 -2.052 -2.207 1.00 . A A . 3 GLU CG 1 1
4 573 1 1 3 GLU H H -3.327 -0.490 -1.080 1.00 . A A . 3 GLU H 1 1
4 574 1 1 3 GLU HA H -5.900 -0.239 -0.259 1.00 . A A . 3 GLU HA 1 1
4 575 1 1 3 GLU HB2 H -4.265 -2.749 -0.622 1.00 . A A . 3 GLU HB2 1 1
4 576 1 1 3 GLU HB3 H -5.997 -2.801 -0.274 1.00 . A A . 3 GLU HB3 1 1
4 577 1 1 3 GLU HG2 H -4.911 -1.238 -2.595 1.00 . A A . 3 GLU HG2 1 1
4 578 1 1 3 GLU HG3 H -5.235 -2.966 -2.717 1.00 . A A . 3 GLU HG3 1 1
4 579 1 1 3 GLU N N -3.835 -0.197 -0.295 1.00 . A A . 3 GLU N 1 1
4 580 1 1 3 GLU O O -6.239 -0.799 2.155 1.00 . A A . 3 GLU O 1 1
4 581 1 1 3 GLU OE1 O -7.337 -0.563 -2.521 1.00 . A A . 3 GLU OE1 1 1
4 582 1 1 3 GLU OE2 O -7.743 -2.717 -2.675 1.00 . A A . 3 GLU OE2 1 1
4 583 1 1 4 LEU C C -2.793 -1.757 4.217 1.00 . A A . 4 LEU C 1 1
4 584 1 1 4 LEU CA C -4.144 -1.979 3.609 1.00 . A A . 4 LEU CA 1 1
4 585 1 1 4 LEU CB C -4.682 -3.393 3.917 1.00 . A A . 4 LEU CB 1 1
4 586 1 1 4 LEU CD1 C -6.411 -5.080 3.243 1.00 . A A . 4 LEU CD1 1 1
4 587 1 1 4 LEU CD2 C -7.038 -3.222 4.790 1.00 . A A . 4 LEU CD2 1 1
4 588 1 1 4 LEU CG C -6.167 -3.623 3.605 1.00 . A A . 4 LEU CG 1 1
4 589 1 1 4 LEU H H -3.372 -1.935 1.636 1.00 . A A . 4 LEU H 1 1
4 590 1 1 4 LEU HA H -4.754 -1.261 4.067 1.00 . A A . 4 LEU HA 1 1
4 591 1 1 4 LEU HB2 H -4.103 -4.104 3.346 1.00 . A A . 4 LEU HB2 1 1
4 592 1 1 4 LEU HB3 H -4.525 -3.591 4.967 1.00 . A A . 4 LEU HB3 1 1
4 593 1 1 4 LEU HD11 H -7.462 -5.230 3.044 1.00 . A A . 4 LEU HD11 1 1
4 594 1 1 4 LEU HD12 H -6.107 -5.711 4.064 1.00 . A A . 4 LEU HD12 1 1
4 595 1 1 4 LEU HD13 H -5.839 -5.333 2.363 1.00 . A A . 4 LEU HD13 1 1
4 596 1 1 4 LEU HD21 H -8.076 -3.391 4.547 1.00 . A A . 4 LEU HD21 1 1
4 597 1 1 4 LEU HD22 H -6.885 -2.176 5.011 1.00 . A A . 4 LEU HD22 1 1
4 598 1 1 4 LEU HD23 H -6.768 -3.815 5.652 1.00 . A A . 4 LEU HD23 1 1
4 599 1 1 4 LEU HG H -6.449 -3.016 2.758 1.00 . A A . 4 LEU HG 1 1
4 600 1 1 4 LEU N N -4.156 -1.700 2.167 1.00 . A A . 4 LEU N 1 1
4 601 1 1 4 LEU O O -2.341 -2.520 5.080 1.00 . A A . 4 LEU O 1 1
4 602 1 1 5 CYS C C -0.505 1.017 3.552 1.00 . A A . 5 CYS C 1 1
4 603 1 1 5 CYS CA C -0.899 -0.261 4.261 1.00 . A A . 5 CYS CA 1 1
4 604 1 1 5 CYS CB C 0.088 -1.376 3.956 1.00 . A A . 5 CYS CB 1 1
4 605 1 1 5 CYS H H -2.571 -0.111 3.102 1.00 . A A . 5 CYS H 1 1
4 606 1 1 5 CYS HA H -0.974 -0.102 5.311 1.00 . A A . 5 CYS HA 1 1
4 607 1 1 5 CYS HB2 H -0.487 -2.176 3.507 1.00 . A A . 5 CYS HB2 1 1
4 608 1 1 5 CYS HB3 H 0.826 -1.014 3.246 1.00 . A A . 5 CYS HB3 1 1
4 609 1 1 5 CYS N N -2.171 -0.658 3.790 1.00 . A A . 5 CYS N 1 1
4 610 1 1 5 CYS O O -1.355 1.811 3.134 1.00 . A A . 5 CYS O 1 1
4 611 1 1 5 CYS SG S 0.952 -2.045 5.416 1.00 . A A . 5 CYS SG 1 1
4 612 1 1 6 CYS C C 2.707 1.925 2.141 1.00 . A A . 6 CYS C 1 1
4 613 1 1 6 CYS CA C 1.370 2.318 2.740 1.00 . A A . 6 CYS CA 1 1
4 614 1 1 6 CYS CB C 1.470 3.584 3.614 1.00 . A A . 6 CYS CB 1 1
4 615 1 1 6 CYS H H 1.355 0.527 3.823 1.00 . A A . 6 CYS H 1 1
4 616 1 1 6 CYS HA H 0.708 2.490 1.916 1.00 . A A . 6 CYS HA 1 1
4 617 1 1 6 CYS HB2 H 1.769 3.300 4.611 1.00 . A A . 6 CYS HB2 1 1
4 618 1 1 6 CYS HB3 H 2.217 4.243 3.195 1.00 . A A . 6 CYS HB3 1 1
4 619 1 1 6 CYS N N 0.787 1.195 3.439 1.00 . A A . 6 CYS N 1 1
4 620 1 1 6 CYS O O 3.784 2.400 2.522 1.00 . A A . 6 CYS O 1 1
4 621 1 1 6 CYS SG S -0.085 4.524 3.751 1.00 . A A . 6 CYS SG 1 1
4 622 1 1 7 ASN C C 3.974 1.268 -0.823 1.00 . A A . 7 ASN C 1 1
4 623 1 1 7 ASN CA C 3.675 0.457 0.433 1.00 . A A . 7 ASN CA 1 1
4 624 1 1 7 ASN CB C 3.279 -0.933 0.022 1.00 . A A . 7 ASN CB 1 1
4 625 1 1 7 ASN CG C 3.664 -1.973 1.052 1.00 . A A . 7 ASN CG 1 1
4 626 1 1 7 ASN H H 1.671 0.672 1.025 1.00 . A A . 7 ASN H 1 1
4 627 1 1 7 ASN HA H 4.550 0.407 1.040 1.00 . A A . 7 ASN HA 1 1
4 628 1 1 7 ASN HB2 H 2.199 -0.949 -0.105 1.00 . A A . 7 ASN HB2 1 1
4 629 1 1 7 ASN HB3 H 3.762 -1.166 -0.913 1.00 . A A . 7 ASN HB3 1 1
4 630 1 1 7 ASN HD21 H 5.359 -2.344 0.081 1.00 . A A . 7 ASN HD21 1 1
4 631 1 1 7 ASN HD22 H 5.098 -3.269 1.516 1.00 . A A . 7 ASN HD22 1 1
4 632 1 1 7 ASN N N 2.575 1.015 1.197 1.00 . A A . 7 ASN N 1 1
4 633 1 1 7 ASN ND2 N 4.824 -2.591 0.864 1.00 . A A . 7 ASN ND2 1 1
4 634 1 1 7 ASN O O 3.040 1.746 -1.471 1.00 . A A . 7 ASN O 1 1
4 635 1 1 7 ASN OD1 O 2.928 -2.217 2.004 1.00 . A A . 7 ASN OD1 1 1
4 636 1 1 8 PRO C C 5.354 1.345 -3.641 1.00 . A A . 8 PRO C 1 1
4 637 1 1 8 PRO CA C 5.617 2.177 -2.419 1.00 . A A . 8 PRO CA 1 1
4 638 1 1 8 PRO CB C 7.089 2.562 -2.239 1.00 . A A . 8 PRO CB 1 1
4 639 1 1 8 PRO CD C 6.495 1.031 -0.455 1.00 . A A . 8 PRO CD 1 1
4 640 1 1 8 PRO CG C 7.648 1.539 -1.297 1.00 . A A . 8 PRO CG 1 1
4 641 1 1 8 PRO HA H 4.995 3.051 -2.530 1.00 . A A . 8 PRO HA 1 1
4 642 1 1 8 PRO HB2 H 7.587 2.538 -3.202 1.00 . A A . 8 PRO HB2 1 1
4 643 1 1 8 PRO HB3 H 7.158 3.550 -1.815 1.00 . A A . 8 PRO HB3 1 1
4 644 1 1 8 PRO HD2 H 6.536 -0.045 -0.370 1.00 . A A . 8 PRO HD2 1 1
4 645 1 1 8 PRO HD3 H 6.521 1.485 0.526 1.00 . A A . 8 PRO HD3 1 1
4 646 1 1 8 PRO HG2 H 8.086 0.727 -1.864 1.00 . A A . 8 PRO HG2 1 1
4 647 1 1 8 PRO HG3 H 8.394 1.994 -0.663 1.00 . A A . 8 PRO HG3 1 1
4 648 1 1 8 PRO N N 5.277 1.455 -1.197 1.00 . A A . 8 PRO N 1 1
4 649 1 1 8 PRO O O 6.210 0.650 -4.202 1.00 . A A . 8 PRO O 1 1
4 650 1 1 9 ALA C C 3.372 -0.741 -4.957 1.00 . A A . 9 ALA C 1 1
4 651 1 1 9 ALA CA C 3.475 0.794 -5.120 1.00 . A A . 9 ALA CA 1 1
4 652 1 1 9 ALA CB C 4.158 1.172 -6.442 1.00 . A A . 9 ALA CB 1 1
4 653 1 1 9 ALA H H 3.516 2.019 -3.444 1.00 . A A . 9 ALA H 1 1
4 654 1 1 9 ALA HA H 2.492 1.207 -5.137 1.00 . A A . 9 ALA HA 1 1
4 655 1 1 9 ALA HB1 H 4.208 2.247 -6.527 1.00 . A A . 9 ALA HB1 1 1
4 656 1 1 9 ALA HB2 H 3.589 0.772 -7.268 1.00 . A A . 9 ALA HB2 1 1
4 657 1 1 9 ALA HB3 H 5.157 0.761 -6.461 1.00 . A A . 9 ALA HB3 1 1
4 658 1 1 9 ALA N N 4.089 1.447 -3.996 1.00 . A A . 9 ALA N 1 1
4 659 1 1 9 ALA O O 3.129 -1.452 -5.942 1.00 . A A . 9 ALA O 1 1
4 660 1 1 10 . C C 2.032 -3.160 -3.211 1.00 . A A . 10 CY1 C 1 1
4 661 1 1 10 . CA C 3.450 -2.713 -3.502 1.00 . A A . 10 CY1 CA 1 1
4 662 1 1 10 . CB C 4.321 -3.130 -2.343 1.00 . A A . 10 CY1 CB 1 1
4 663 1 1 10 . CD C 5.521 -5.212 -3.787 1.00 . A A . 10 CY1 CD 1 1
4 664 1 1 10 . CM C 8.878 -3.501 -3.170 1.00 . A A . 10 CY1 CM 1 1
4 665 1 1 10 . CZ C 7.700 -4.450 -2.943 1.00 . A A . 10 CY1 CZ 1 1
4 666 1 1 10 . H H 3.567 -0.670 -2.912 1.00 . A A . 10 CY1 H 1 1
4 667 1 1 10 . HA H 3.793 -3.199 -4.394 1.00 . A A . 10 CY1 HA 1 1
4 668 1 1 10 . HB2 H 5.145 -2.524 -2.138 1.00 . A A . 10 CY1 HB2 1 1
4 669 1 1 10 . HB3 H 3.638 -2.774 -1.496 1.00 . A A . 10 CY1 HB3 1 1
4 670 1 1 10 . HD2 H 4.852 -4.965 -4.611 1.00 . A A . 10 CY1 HD2 1 1
4 671 1 1 10 . HD3 H 5.805 -6.262 -3.856 1.00 . A A . 10 CY1 HD3 1 1
4 672 1 1 10 . HE H 6.755 -3.742 -4.635 1.00 . A A . 10 CY1 HE 1 1
4 673 1 1 10 . HM1 H 8.688 -2.555 -2.663 1.00 . A A . 10 CY1 HM1 1 1
4 674 1 1 10 . HM2 H 9.003 -3.324 -4.238 1.00 . A A . 10 CY1 HM2 1 1
4 675 1 1 10 . HM3 H 9.787 -3.952 -2.771 1.00 . A A . 10 CY1 HM3 1 1
4 676 1 1 10 . N N 3.530 -1.258 -3.714 1.00 . A A . 10 CY1 N 1 1
4 677 1 1 10 . NE N 6.724 -4.370 -3.857 1.00 . A A . 10 CY1 NE 1 1
4 678 1 1 10 . O O 1.553 -4.170 -3.732 1.00 . A A . 10 CY1 O 1 1
4 679 1 1 10 . OAC O 7.682 -5.218 -1.983 1.00 . A A . 10 CY1 OAC 1 1
4 680 1 1 10 . SG S 4.664 -4.922 -2.196 1.00 . A A . 10 CY1 SG 1 1
4 681 1 1 11 THR C C -0.242 -3.960 -1.367 1.00 . A A . 11 THR C 1 1
4 682 1 1 11 THR CA C 0.027 -2.553 -1.856 1.00 . A A . 11 THR CA 1 1
4 683 1 1 11 THR CB C -1.090 -2.020 -2.822 1.00 . A A . 11 THR CB 1 1
4 684 1 1 11 THR CG2 C -1.094 -2.714 -4.189 1.00 . A A . 11 THR CG2 1 1
4 685 1 1 11 THR H H 2.075 -2.041 -1.744 1.00 . A A . 11 THR H 1 1
4 686 1 1 11 THR HA H 0.001 -1.963 -0.969 1.00 . A A . 11 THR HA 1 1
4 687 1 1 11 THR HB H -0.912 -0.966 -2.981 1.00 . A A . 11 THR HB 1 1
4 688 1 1 11 THR HG1 H -2.990 -1.533 -2.595 1.00 . A A . 11 THR HG1 1 1
4 689 1 1 11 THR HG21 H -1.257 -3.773 -4.055 1.00 . A A . 11 THR HG21 1 1
4 690 1 1 11 THR HG22 H -0.143 -2.555 -4.676 1.00 . A A . 11 THR HG22 1 1
4 691 1 1 11 THR HG23 H -1.884 -2.302 -4.800 1.00 . A A . 11 THR HG23 1 1
4 692 1 1 11 THR N N 1.383 -2.370 -2.355 1.00 . A A . 11 THR N 1 1
4 693 1 1 11 THR O O -0.831 -4.803 -2.056 1.00 . A A . 11 THR O 1 1
4 694 1 1 11 THR OG1 O -2.381 -2.171 -2.216 1.00 . A A . 11 THR OG1 1 1
4 695 1 1 12 GLY C C 0.892 -5.646 1.725 1.00 . A A . 12 GLY C 1 1
4 696 1 1 12 GLY CA C 0.059 -5.450 0.483 1.00 . A A . 12 GLY CA 1 1
4 697 1 1 12 GLY H H 0.753 -3.468 0.281 1.00 . A A . 12 GLY H 1 1
4 698 1 1 12 GLY HA2 H -0.985 -5.567 0.735 1.00 . A A . 12 GLY HA2 1 1
4 699 1 1 12 GLY HA3 H 0.340 -6.166 -0.220 1.00 . A A . 12 GLY HA3 1 1
4 700 1 1 12 GLY N N 0.238 -4.178 -0.156 1.00 . A A . 12 GLY N 1 1
4 701 1 1 12 GLY O O 1.286 -6.764 2.065 1.00 . A A . 12 GLY O 1 1
4 702 1 1 13 CYS C C 3.329 -5.056 3.491 1.00 . A A . 13 CYS C 1 1
4 703 1 1 13 CYS CA C 1.930 -4.434 3.631 1.00 . A A . 13 CYS CA 1 1
4 704 1 1 13 CYS CB C 1.187 -5.038 4.835 1.00 . A A . 13 CYS CB 1 1
4 705 1 1 13 CYS H H 0.755 -3.734 2.005 1.00 . A A . 13 CYS H 1 1
4 706 1 1 13 CYS HA H 2.059 -3.376 3.820 1.00 . A A . 13 CYS HA 1 1
4 707 1 1 13 CYS HB2 H 0.581 -5.865 4.496 1.00 . A A . 13 CYS HB2 1 1
4 708 1 1 13 CYS HB3 H 1.911 -5.400 5.551 1.00 . A A . 13 CYS HB3 1 1
4 709 1 1 13 CYS N N 1.135 -4.535 2.385 1.00 . A A . 13 CYS N 1 1
4 710 1 1 13 CYS O O 3.434 -6.302 3.452 1.00 . A A . 13 CYS O 1 1
4 711 1 1 13 CYS OXT O 4.309 -4.284 3.420 1.00 . A A . 13 CYS OXT 1 1
4 712 1 1 13 CYS SG S 0.088 -3.865 5.700 1.00 . A A . 13 CYS SG 1 1
5 713 1 1 1 CYS C C -2.043 4.462 -0.013 1.00 . A A . 1 CYS C 1 1
5 714 1 1 1 CYS CA C -1.963 5.127 1.364 1.00 . A A . 1 CYS CA 1 1
5 715 1 1 1 CYS CB C -0.792 4.545 2.163 1.00 . A A . 1 CYS CB 1 1
5 716 1 1 1 CYS H1 H -4.021 5.379 1.589 1.00 . A A . 1 CYS H1 1 1
5 717 1 1 1 CYS H2 H -3.163 5.405 3.047 1.00 . A A . 1 CYS H2 1 1
5 718 1 1 1 CYS H3 H -3.429 3.937 2.249 1.00 . A A . 1 CYS H3 1 1
5 719 1 1 1 CYS HA H -1.801 6.186 1.225 1.00 . A A . 1 CYS HA 1 1
5 720 1 1 1 CYS HB2 H -1.001 3.508 2.375 1.00 . A A . 1 CYS HB2 1 1
5 721 1 1 1 CYS HB3 H 0.108 4.612 1.569 1.00 . A A . 1 CYS HB3 1 1
5 722 1 1 1 CYS N N -3.232 4.950 2.114 1.00 . A A . 1 CYS N 1 1
5 723 1 1 1 CYS O O -1.881 5.131 -1.037 1.00 . A A . 1 CYS O 1 1
5 724 1 1 1 CYS SG S -0.473 5.373 3.753 1.00 . A A . 1 CYS SG 1 1
5 725 1 1 2 . C C -3.653 1.484 -1.247 1.00 . A A . 2 CY1 C 1 1
5 726 1 1 2 . CA C -2.404 2.371 -1.267 1.00 . A A . 2 CY1 CA 1 1
5 727 1 1 2 . CB C -1.162 1.547 -1.488 1.00 . A A . 2 CY1 CB 1 1
5 728 1 1 2 . CD C -0.938 2.063 -4.236 1.00 . A A . 2 CY1 CD 1 1
5 729 1 1 2 . CM C 1.739 4.584 -3.203 1.00 . A A . 2 CY1 CM 1 1
5 730 1 1 2 . CZ C 0.345 4.030 -3.506 1.00 . A A . 2 CY1 CZ 1 1
5 731 1 1 2 . H H -1.439 3.555 0.208 1.00 . A A . 2 CY1 H 1 1
5 732 1 1 2 . HA H -2.487 3.061 -2.073 1.00 . A A . 2 CY1 HA 1 1
5 733 1 1 2 . HB2 H -0.246 1.997 -1.212 1.00 . A A . 2 CY1 HB2 1 1
5 734 1 1 2 . HB3 H -1.287 0.840 -0.607 1.00 . A A . 2 CY1 HB3 1 1
5 735 1 1 2 . HD2 H -0.821 1.683 -5.253 1.00 . A A . 2 CY1 HD2 1 1
5 736 1 1 2 . HD3 H -1.728 2.801 -4.118 1.00 . A A . 2 CY1 HD3 1 1
5 737 1 1 2 . HE H 1.143 2.193 -4.000 1.00 . A A . 2 CY1 HE 1 1
5 738 1 1 2 . HM1 H 2.165 5.014 -4.109 1.00 . A A . 2 CY1 HM1 1 1
5 739 1 1 2 . HM2 H 2.380 3.779 -2.844 1.00 . A A . 2 CY1 HM2 1 1
5 740 1 1 2 . HM3 H 1.662 5.353 -2.434 1.00 . A A . 2 CY1 HM3 1 1
5 741 1 1 2 . N N -2.296 3.143 -0.026 1.00 . A A . 2 CY1 N 1 1
5 742 1 1 2 . NE N 0.319 2.751 -3.905 1.00 . A A . 2 CY1 NE 1 1
5 743 1 1 2 . O O -4.525 1.625 -2.109 1.00 . A A . 2 CY1 O 1 1
5 744 1 1 2 . OAC O -0.657 4.733 -3.384 1.00 . A A . 2 CY1 OAC 1 1
5 745 1 1 2 . SG S -1.070 0.650 -3.081 1.00 . A A . 2 CY1 SG 1 1
5 746 1 1 3 GLU C C -5.064 -0.752 1.360 1.00 . A A . 3 GLU C 1 1
5 747 1 1 3 GLU CA C -4.875 -0.343 -0.110 1.00 . A A . 3 GLU CA 1 1
5 748 1 1 3 GLU CB C -4.708 -1.589 -1.003 1.00 . A A . 3 GLU CB 1 1
5 749 1 1 3 GLU CD C -5.827 -3.327 -2.463 1.00 . A A . 3 GLU CD 1 1
5 750 1 1 3 GLU CG C -6.024 -2.151 -1.527 1.00 . A A . 3 GLU CG 1 1
5 751 1 1 3 GLU H H -2.911 0.394 0.246 1.00 . A A . 3 GLU H 1 1
5 752 1 1 3 GLU HA H -5.758 0.193 -0.428 1.00 . A A . 3 GLU HA 1 1
5 753 1 1 3 GLU HB2 H -4.090 -1.327 -1.854 1.00 . A A . 3 GLU HB2 1 1
5 754 1 1 3 GLU HB3 H -4.213 -2.364 -0.429 1.00 . A A . 3 GLU HB3 1 1
5 755 1 1 3 GLU HG2 H -6.621 -2.476 -0.688 1.00 . A A . 3 GLU HG2 1 1
5 756 1 1 3 GLU HG3 H -6.548 -1.370 -2.058 1.00 . A A . 3 GLU HG3 1 1
5 757 1 1 3 GLU N N -3.732 0.569 -0.260 1.00 . A A . 3 GLU N 1 1
5 758 1 1 3 GLU O O -6.102 -0.447 1.956 1.00 . A A . 3 GLU O 1 1
5 759 1 1 3 GLU OE1 O -5.699 -3.099 -3.684 1.00 . A A . 3 GLU OE1 1 1
5 760 1 1 3 GLU OE2 O -5.803 -4.477 -1.975 1.00 . A A . 3 GLU OE2 1 1
5 761 1 1 4 LEU C C -2.786 -1.825 4.011 1.00 . A A . 4 LEU C 1 1
5 762 1 1 4 LEU CA C -4.120 -1.896 3.334 1.00 . A A . 4 LEU CA 1 1
5 763 1 1 4 LEU CB C -4.737 -3.304 3.441 1.00 . A A . 4 LEU CB 1 1
5 764 1 1 4 LEU CD1 C -6.562 -4.724 2.473 1.00 . A A . 4 LEU CD1 1 1
5 765 1 1 4 LEU CD2 C -7.057 -3.217 4.404 1.00 . A A . 4 LEU CD2 1 1
5 766 1 1 4 LEU CG C -6.235 -3.393 3.133 1.00 . A A . 4 LEU CG 1 1
5 767 1 1 4 LEU H H -3.265 -1.649 1.413 1.00 . A A . 4 LEU H 1 1
5 768 1 1 4 LEU HA H -4.713 -1.209 3.858 1.00 . A A . 4 LEU HA 1 1
5 769 1 1 4 LEU HB2 H -4.214 -3.954 2.755 1.00 . A A . 4 LEU HB2 1 1
5 770 1 1 4 LEU HB3 H -4.578 -3.667 4.445 1.00 . A A . 4 LEU HB3 1 1
5 771 1 1 4 LEU HD11 H -7.626 -4.787 2.296 1.00 . A A . 4 LEU HD11 1 1
5 772 1 1 4 LEU HD12 H -6.256 -5.533 3.120 1.00 . A A . 4 LEU HD12 1 1
5 773 1 1 4 LEU HD13 H -6.037 -4.797 1.532 1.00 . A A . 4 LEU HD13 1 1
5 774 1 1 4 LEU HD21 H -6.807 -4.001 5.105 1.00 . A A . 4 LEU HD21 1 1
5 775 1 1 4 LEU HD22 H -8.108 -3.272 4.163 1.00 . A A . 4 LEU HD22 1 1
5 776 1 1 4 LEU HD23 H -6.837 -2.256 4.845 1.00 . A A . 4 LEU HD23 1 1
5 777 1 1 4 LEU HG H -6.504 -2.604 2.446 1.00 . A A . 4 LEU HG 1 1
5 778 1 1 4 LEU N N -4.061 -1.445 1.937 1.00 . A A . 4 LEU N 1 1
5 779 1 1 4 LEU O O -2.396 -2.723 4.770 1.00 . A A . 4 LEU O 1 1
5 780 1 1 5 CYS C C -0.358 0.892 3.777 1.00 . A A . 5 CYS C 1 1
5 781 1 1 5 CYS CA C -0.837 -0.432 4.323 1.00 . A A . 5 CYS CA 1 1
5 782 1 1 5 CYS CB C 0.115 -1.550 3.938 1.00 . A A . 5 CYS CB 1 1
5 783 1 1 5 CYS H H -2.455 -0.058 3.137 1.00 . A A . 5 CYS H 1 1
5 784 1 1 5 CYS HA H -0.950 -0.382 5.380 1.00 . A A . 5 CYS HA 1 1
5 785 1 1 5 CYS HB2 H -0.477 -2.286 3.411 1.00 . A A . 5 CYS HB2 1 1
5 786 1 1 5 CYS HB3 H 0.878 -1.154 3.277 1.00 . A A . 5 CYS HB3 1 1
5 787 1 1 5 CYS N N -2.104 -0.708 3.759 1.00 . A A . 5 CYS N 1 1
5 788 1 1 5 CYS O O -1.156 1.771 3.433 1.00 . A A . 5 CYS O 1 1
5 789 1 1 5 CYS SG S 0.927 -2.368 5.351 1.00 . A A . 5 CYS SG 1 1
5 790 1 1 6 CYS C C 2.904 1.804 2.525 1.00 . A A . 6 CYS C 1 1
5 791 1 1 6 CYS CA C 1.588 2.183 3.164 1.00 . A A . 6 CYS CA 1 1
5 792 1 1 6 CYS CB C 1.741 3.329 4.186 1.00 . A A . 6 CYS CB 1 1
5 793 1 1 6 CYS H H 1.471 0.279 4.023 1.00 . A A . 6 CYS H 1 1
5 794 1 1 6 CYS HA H 0.949 2.480 2.363 1.00 . A A . 6 CYS HA 1 1
5 795 1 1 6 CYS HB2 H 2.399 3.007 4.979 1.00 . A A . 6 CYS HB2 1 1
5 796 1 1 6 CYS HB3 H 2.177 4.185 3.692 1.00 . A A . 6 CYS HB3 1 1
5 797 1 1 6 CYS N N 0.943 1.016 3.715 1.00 . A A . 6 CYS N 1 1
5 798 1 1 6 CYS O O 4.003 2.157 2.973 1.00 . A A . 6 CYS O 1 1
5 799 1 1 6 CYS SG S 0.176 3.869 4.954 1.00 . A A . 6 CYS SG 1 1
5 800 1 1 7 ASN C C 3.927 1.316 -0.656 1.00 . A A . 7 ASN C 1 1
5 801 1 1 7 ASN CA C 3.800 0.540 0.645 1.00 . A A . 7 ASN CA 1 1
5 802 1 1 7 ASN CB C 3.498 -0.894 0.338 1.00 . A A . 7 ASN CB 1 1
5 803 1 1 7 ASN CG C 3.975 -1.829 1.429 1.00 . A A . 7 ASN CG 1 1
5 804 1 1 7 ASN H H 1.807 0.779 1.253 1.00 . A A . 7 ASN H 1 1
5 805 1 1 7 ASN HA H 4.722 0.595 1.176 1.00 . A A . 7 ASN HA 1 1
5 806 1 1 7 ASN HB2 H 2.422 -0.992 0.234 1.00 . A A . 7 ASN HB2 1 1
5 807 1 1 7 ASN HB3 H 3.984 -1.155 -0.586 1.00 . A A . 7 ASN HB3 1 1
5 808 1 1 7 ASN HD21 H 2.257 -1.611 2.397 1.00 . A A . 7 ASN HD21 1 1
5 809 1 1 7 ASN HD22 H 3.411 -2.656 3.145 1.00 . A A . 7 ASN HD22 1 1
5 810 1 1 7 ASN N N 2.728 1.046 1.469 1.00 . A A . 7 ASN N 1 1
5 811 1 1 7 ASN ND2 N 3.129 -2.055 2.424 1.00 . A A . 7 ASN ND2 1 1
5 812 1 1 7 ASN O O 2.910 1.605 -1.295 1.00 . A A . 7 ASN O 1 1
5 813 1 1 7 ASN OD1 O 5.096 -2.335 1.383 1.00 . A A . 7 ASN OD1 1 1
5 814 1 1 8 PRO C C 5.178 1.496 -3.528 1.00 . A A . 8 PRO C 1 1
5 815 1 1 8 PRO CA C 5.368 2.395 -2.340 1.00 . A A . 8 PRO CA 1 1
5 816 1 1 8 PRO CB C 6.781 2.979 -2.234 1.00 . A A . 8 PRO CB 1 1
5 817 1 1 8 PRO CD C 6.463 1.472 -0.368 1.00 . A A . 8 PRO CD 1 1
5 818 1 1 8 PRO CG C 7.505 2.080 -1.282 1.00 . A A . 8 PRO CG 1 1
5 819 1 1 8 PRO HA H 4.633 3.176 -2.451 1.00 . A A . 8 PRO HA 1 1
5 820 1 1 8 PRO HB2 H 7.242 2.982 -3.215 1.00 . A A . 8 PRO HB2 1 1
5 821 1 1 8 PRO HB3 H 6.732 3.984 -1.849 1.00 . A A . 8 PRO HB3 1 1
5 822 1 1 8 PRO HD2 H 6.654 0.418 -0.227 1.00 . A A . 8 PRO HD2 1 1
5 823 1 1 8 PRO HD3 H 6.458 1.982 0.585 1.00 . A A . 8 PRO HD3 1 1
5 824 1 1 8 PRO HG2 H 8.019 1.304 -1.835 1.00 . A A . 8 PRO HG2 1 1
5 825 1 1 8 PRO HG3 H 8.211 2.655 -0.702 1.00 . A A . 8 PRO HG3 1 1
5 826 1 1 8 PRO N N 5.175 1.682 -1.082 1.00 . A A . 8 PRO N 1 1
5 827 1 1 8 PRO O O 6.090 0.849 -4.057 1.00 . A A . 8 PRO O 1 1
5 828 1 1 9 ALA C C 3.379 -0.791 -4.789 1.00 . A A . 9 ALA C 1 1
5 829 1 1 9 ALA CA C 3.362 0.742 -4.996 1.00 . A A . 9 ALA CA 1 1
5 830 1 1 9 ALA CB C 4.024 1.134 -6.324 1.00 . A A . 9 ALA CB 1 1
5 831 1 1 9 ALA H H 3.288 2.021 -3.360 1.00 . A A . 9 ALA H 1 1
5 832 1 1 9 ALA HA H 2.348 1.072 -5.036 1.00 . A A . 9 ALA HA 1 1
5 833 1 1 9 ALA HB1 H 5.053 0.803 -6.325 1.00 . A A . 9 ALA HB1 1 1
5 834 1 1 9 ALA HB2 H 3.992 2.207 -6.439 1.00 . A A . 9 ALA HB2 1 1
5 835 1 1 9 ALA HB3 H 3.495 0.668 -7.142 1.00 . A A . 9 ALA HB3 1 1
5 836 1 1 9 ALA N N 3.911 1.481 -3.890 1.00 . A A . 9 ALA N 1 1
5 837 1 1 9 ALA O O 3.195 -1.542 -5.757 1.00 . A A . 9 ALA O 1 1
5 838 1 1 10 . C C 2.190 -3.294 -3.179 1.00 . A A . 10 CY1 C 1 1
5 839 1 1 10 . CA C 3.590 -2.729 -3.306 1.00 . A A . 10 CY1 CA 1 1
5 840 1 1 10 . CB C 4.334 -3.076 -2.047 1.00 . A A . 10 CY1 CB 1 1
5 841 1 1 10 . CD C 5.343 -4.808 -0.082 1.00 . A A . 10 CY1 CD 1 1
5 842 1 1 10 . CM C 5.708 -8.591 0.321 1.00 . A A . 10 CY1 CM 1 1
5 843 1 1 10 . CZ C 5.321 -7.261 -0.330 1.00 . A A . 10 CY1 CZ 1 1
5 844 1 1 10 . H H 3.594 -0.674 -2.732 1.00 . A A . 10 CY1 H 1 1
5 845 1 1 10 . HA H 4.078 -3.186 -4.138 1.00 . A A . 10 CY1 HA 1 1
5 846 1 1 10 . HB2 H 5.121 -2.446 -1.785 1.00 . A A . 10 CY1 HB2 1 1
5 847 1 1 10 . HB3 H 3.556 -2.696 -1.295 1.00 . A A . 10 CY1 HB3 1 1
5 848 1 1 10 . HD2 H 4.601 -4.354 0.574 1.00 . A A . 10 CY1 HD2 1 1
5 849 1 1 10 . HD3 H 6.254 -4.211 -0.060 1.00 . A A . 10 CY1 HD3 1 1
5 850 1 1 10 . HE H 6.085 -6.222 1.276 1.00 . A A . 10 CY1 HE 1 1
5 851 1 1 10 . HM1 H 5.936 -9.324 -0.453 1.00 . A A . 10 CY1 HM1 1 1
5 852 1 1 10 . HM2 H 4.881 -8.951 0.932 1.00 . A A . 10 CY1 HM2 1 1
5 853 1 1 10 . HM3 H 6.584 -8.442 0.951 1.00 . A A . 10 CY1 HM3 1 1
5 854 1 1 10 . N N 3.569 -1.271 -3.532 1.00 . A A . 10 CY1 N 1 1
5 855 1 1 10 . NE N 5.637 -6.172 0.383 1.00 . A A . 10 CY1 NE 1 1
5 856 1 1 10 . O O 1.857 -4.332 -3.756 1.00 . A A . 10 CY1 O 1 1
5 857 1 1 10 . OAC O 4.749 -7.234 -1.419 1.00 . A A . 10 CY1 OAC 1 1
5 858 1 1 10 . SG S 4.693 -4.852 -1.792 1.00 . A A . 10 CY1 SG 1 1
5 859 1 1 11 THR C C -0.181 -4.308 -1.586 1.00 . A A . 11 THR C 1 1
5 860 1 1 11 THR CA C 0.009 -2.879 -2.045 1.00 . A A . 11 THR CA 1 1
5 861 1 1 11 THR CB C -1.045 -2.439 -3.122 1.00 . A A . 11 THR CB 1 1
5 862 1 1 11 THR CG2 C -0.827 -3.094 -4.490 1.00 . A A . 11 THR CG2 1 1
5 863 1 1 11 THR H H 1.948 -2.088 -1.753 1.00 . A A . 11 THR H 1 1
5 864 1 1 11 THR HA H -0.161 -2.303 -1.166 1.00 . A A . 11 THR HA 1 1
5 865 1 1 11 THR HB H -0.964 -1.368 -3.245 1.00 . A A . 11 THR HB 1 1
5 866 1 1 11 THR HG1 H -2.386 -2.748 -1.707 1.00 . A A . 11 THR HG1 1 1
5 867 1 1 11 THR HG21 H -0.890 -4.167 -4.390 1.00 . A A . 11 THR HG21 1 1
5 868 1 1 11 THR HG22 H 0.148 -2.823 -4.868 1.00 . A A . 11 THR HG22 1 1
5 869 1 1 11 THR HG23 H -1.587 -2.751 -5.178 1.00 . A A . 11 THR HG23 1 1
5 870 1 1 11 THR N N 1.389 -2.573 -2.395 1.00 . A A . 11 THR N 1 1
5 871 1 1 11 THR O O -0.680 -5.180 -2.308 1.00 . A A . 11 THR O 1 1
5 872 1 1 11 THR OG1 O -2.371 -2.739 -2.667 1.00 . A A . 11 THR OG1 1 1
5 873 1 1 12 GLY C C 0.968 -5.960 1.519 1.00 . A A . 12 GLY C 1 1
5 874 1 1 12 GLY CA C 0.149 -5.798 0.263 1.00 . A A . 12 GLY CA 1 1
5 875 1 1 12 GLY H H 0.703 -3.768 0.109 1.00 . A A . 12 GLY H 1 1
5 876 1 1 12 GLY HA2 H -0.891 -5.982 0.493 1.00 . A A . 12 GLY HA2 1 1
5 877 1 1 12 GLY HA3 H 0.486 -6.486 -0.443 1.00 . A A . 12 GLY HA3 1 1
5 878 1 1 12 GLY N N 0.261 -4.509 -0.357 1.00 . A A . 12 GLY N 1 1
5 879 1 1 12 GLY O O 1.417 -7.058 1.857 1.00 . A A . 12 GLY O 1 1
5 880 1 1 13 CYS C C 3.321 -5.289 3.354 1.00 . A A . 13 CYS C 1 1
5 881 1 1 13 CYS CA C 1.901 -4.709 3.455 1.00 . A A . 13 CYS CA 1 1
5 882 1 1 13 CYS CB C 1.147 -5.324 4.647 1.00 . A A . 13 CYS CB 1 1
5 883 1 1 13 CYS H H 0.715 -4.063 1.817 1.00 . A A . 13 CYS H 1 1
5 884 1 1 13 CYS HA H 1.994 -3.646 3.638 1.00 . A A . 13 CYS HA 1 1
5 885 1 1 13 CYS HB2 H 0.572 -6.171 4.302 1.00 . A A . 13 CYS HB2 1 1
5 886 1 1 13 CYS HB3 H 1.863 -5.658 5.383 1.00 . A A . 13 CYS HB3 1 1
5 887 1 1 13 CYS N N 1.135 -4.843 2.194 1.00 . A A . 13 CYS N 1 1
5 888 1 1 13 CYS O O 3.466 -6.532 3.349 1.00 . A A . 13 CYS O 1 1
5 889 1 1 13 CYS OXT O 4.277 -4.488 3.281 1.00 . A A . 13 CYS OXT 1 1
5 890 1 1 13 CYS SG S -0.003 -4.172 5.470 1.00 . A A . 13 CYS SG 1 1
6 891 1 1 1 CYS C C -2.338 4.260 -0.021 1.00 . A A . 1 CYS C 1 1
6 892 1 1 1 CYS CA C -1.991 5.073 1.226 1.00 . A A . 1 CYS CA 1 1
6 893 1 1 1 CYS CB C -0.478 5.319 1.288 1.00 . A A . 1 CYS CB 1 1
6 894 1 1 1 CYS H1 H -2.200 4.935 3.297 1.00 . A A . 1 CYS H1 1 1
6 895 1 1 1 CYS H2 H -1.999 3.442 2.527 1.00 . A A . 1 CYS H2 1 1
6 896 1 1 1 CYS H3 H -3.482 4.249 2.430 1.00 . A A . 1 CYS H3 1 1
6 897 1 1 1 CYS HA H -2.500 6.025 1.169 1.00 . A A . 1 CYS HA 1 1
6 898 1 1 1 CYS HB2 H 0.038 4.395 1.082 1.00 . A A . 1 CYS HB2 1 1
6 899 1 1 1 CYS HB3 H -0.210 6.049 0.537 1.00 . A A . 1 CYS HB3 1 1
6 900 1 1 1 CYS N N -2.450 4.376 2.456 1.00 . A A . 1 CYS N 1 1
6 901 1 1 1 CYS O O -2.855 4.807 -1.000 1.00 . A A . 1 CYS O 1 1
6 902 1 1 1 CYS SG S 0.113 5.937 2.898 1.00 . A A . 1 CYS SG 1 1
6 903 1 1 2 . C C -3.748 1.441 -0.964 1.00 . A A . 2 CY1 C 1 1
6 904 1 1 2 . CA C -2.334 2.036 -1.085 1.00 . A A . 2 CY1 CA 1 1
6 905 1 1 2 . CB C -1.299 0.951 -1.139 1.00 . A A . 2 CY1 CB 1 1
6 906 1 1 2 . CD C 0.439 2.353 -2.850 1.00 . A A . 2 CY1 CD 1 1
6 907 1 1 2 . CM C -0.660 6.000 -3.125 1.00 . A A . 2 CY1 CM 1 1
6 908 1 1 2 . CZ C -0.068 4.654 -3.547 1.00 . A A . 2 CY1 CZ 1 1
6 909 1 1 2 . H H -1.241 3.490 0.011 1.00 . A A . 2 CY1 H 1 1
6 910 1 1 2 . HA H -2.269 2.587 -1.988 1.00 . A A . 2 CY1 HA 1 1
6 911 1 1 2 . HB2 H -1.448 0.183 -0.465 1.00 . A A . 2 CY1 HB2 1 1
6 912 1 1 2 . HB3 H -1.641 0.416 -2.100 1.00 . A A . 2 CY1 HB3 1 1
6 913 1 1 2 . HD2 H 1.469 2.485 -3.187 1.00 . A A . 2 CY1 HD2 1 1
6 914 1 1 2 . HD3 H -0.221 1.896 -3.584 1.00 . A A . 2 CY1 HD3 1 1
6 915 1 1 2 . HE H -0.467 3.849 -1.690 1.00 . A A . 2 CY1 HE 1 1
6 916 1 1 2 . HM1 H -1.092 6.497 -3.993 1.00 . A A . 2 CY1 HM1 1 1
6 917 1 1 2 . HM2 H 0.125 6.626 -2.700 1.00 . A A . 2 CY1 HM2 1 1
6 918 1 1 2 . HM3 H -1.434 5.836 -2.376 1.00 . A A . 2 CY1 HM3 1 1
6 919 1 1 2 . N N -2.058 2.948 0.028 1.00 . A A . 2 CY1 N 1 1
6 920 1 1 2 . NE N -0.093 3.701 -2.605 1.00 . A A . 2 CY1 NE 1 1
6 921 1 1 2 . O O -4.648 1.824 -1.716 1.00 . A A . 2 CY1 O 1 1
6 922 1 1 2 . OAC O 0.391 4.492 -4.676 1.00 . A A . 2 CY1 OAC 1 1
6 923 1 1 2 . SG S 0.447 1.493 -1.234 1.00 . A A . 2 CY1 SG 1 1
6 924 1 1 3 GLU C C -5.342 -0.570 1.709 1.00 . A A . 3 GLU C 1 1
6 925 1 1 3 GLU CA C -5.225 -0.150 0.241 1.00 . A A . 3 GLU CA 1 1
6 926 1 1 3 GLU CB C -5.429 -1.372 -0.675 1.00 . A A . 3 GLU CB 1 1
6 927 1 1 3 GLU CD C -6.048 -2.228 -2.972 1.00 . A A . 3 GLU CD 1 1
6 928 1 1 3 GLU CG C -5.773 -1.010 -2.113 1.00 . A A . 3 GLU CG 1 1
6 929 1 1 3 GLU H H -3.114 0.103 0.347 1.00 . A A . 3 GLU H 1 1
6 930 1 1 3 GLU HA H -5.999 0.574 0.032 1.00 . A A . 3 GLU HA 1 1
6 931 1 1 3 GLU HB2 H -4.519 -1.959 -0.682 1.00 . A A . 3 GLU HB2 1 1
6 932 1 1 3 GLU HB3 H -6.239 -1.973 -0.276 1.00 . A A . 3 GLU HB3 1 1
6 933 1 1 3 GLU HG2 H -6.652 -0.384 -2.112 1.00 . A A . 3 GLU HG2 1 1
6 934 1 1 3 GLU HG3 H -4.944 -0.465 -2.541 1.00 . A A . 3 GLU HG3 1 1
6 935 1 1 3 GLU N N -3.932 0.506 -0.011 1.00 . A A . 3 GLU N 1 1
6 936 1 1 3 GLU O O -6.337 -0.252 2.367 1.00 . A A . 3 GLU O 1 1
6 937 1 1 3 GLU OE1 O -7.211 -2.683 -3.001 1.00 . A A . 3 GLU OE1 1 1
6 938 1 1 3 GLU OE2 O -5.102 -2.727 -3.616 1.00 . A A . 3 GLU OE2 1 1
6 939 1 1 4 LEU C C -2.943 -1.613 4.223 1.00 . A A . 4 LEU C 1 1
6 940 1 1 4 LEU CA C -4.300 -1.748 3.610 1.00 . A A . 4 LEU CA 1 1
6 941 1 1 4 LEU CB C -4.841 -3.186 3.743 1.00 . A A . 4 LEU CB 1 1
6 942 1 1 4 LEU CD1 C -6.347 -4.004 1.914 1.00 . A A . 4 LEU CD1 1 1
6 943 1 1 4 LEU CD2 C -7.035 -4.261 4.304 1.00 . A A . 4 LEU CD2 1 1
6 944 1 1 4 LEU CG C -6.293 -3.389 3.303 1.00 . A A . 4 LEU CG 1 1
6 945 1 1 4 LEU H H -3.566 -1.502 1.640 1.00 . A A . 4 LEU H 1 1
6 946 1 1 4 LEU HA H -4.895 -1.092 4.162 1.00 . A A . 4 LEU HA 1 1
6 947 1 1 4 LEU HB2 H -4.216 -3.837 3.149 1.00 . A A . 4 LEU HB2 1 1
6 948 1 1 4 LEU HB3 H -4.758 -3.484 4.777 1.00 . A A . 4 LEU HB3 1 1
6 949 1 1 4 LEU HD11 H -5.610 -3.531 1.283 1.00 . A A . 4 LEU HD11 1 1
6 950 1 1 4 LEU HD12 H -7.330 -3.854 1.492 1.00 . A A . 4 LEU HD12 1 1
6 951 1 1 4 LEU HD13 H -6.141 -5.062 1.980 1.00 . A A . 4 LEU HD13 1 1
6 952 1 1 4 LEU HD21 H -6.543 -5.219 4.381 1.00 . A A . 4 LEU HD21 1 1
6 953 1 1 4 LEU HD22 H -8.052 -4.405 3.971 1.00 . A A . 4 LEU HD22 1 1
6 954 1 1 4 LEU HD23 H -7.037 -3.778 5.270 1.00 . A A . 4 LEU HD23 1 1
6 955 1 1 4 LEU HG H -6.787 -2.429 3.263 1.00 . A A . 4 LEU HG 1 1
6 956 1 1 4 LEU N N -4.321 -1.287 2.215 1.00 . A A . 4 LEU N 1 1
6 957 1 1 4 LEU O O -2.552 -2.394 5.102 1.00 . A A . 4 LEU O 1 1
6 958 1 1 5 CYS C C -0.475 1.000 3.592 1.00 . A A . 5 CYS C 1 1
6 959 1 1 5 CYS CA C -0.952 -0.265 4.269 1.00 . A A . 5 CYS CA 1 1
6 960 1 1 5 CYS CB C -0.047 -1.439 3.936 1.00 . A A . 5 CYS CB 1 1
6 961 1 1 5 CYS H H -2.598 0.003 3.097 1.00 . A A . 5 CYS H 1 1
6 962 1 1 5 CYS HA H -1.017 -0.128 5.321 1.00 . A A . 5 CYS HA 1 1
6 963 1 1 5 CYS HB2 H -0.679 -2.182 3.465 1.00 . A A . 5 CYS HB2 1 1
6 964 1 1 5 CYS HB3 H 0.720 -1.115 3.239 1.00 . A A . 5 CYS HB3 1 1
6 965 1 1 5 CYS N N -2.243 -0.567 3.791 1.00 . A A . 5 CYS N 1 1
6 966 1 1 5 CYS O O -1.272 1.863 3.204 1.00 . A A . 5 CYS O 1 1
6 967 1 1 5 CYS SG S 0.755 -2.211 5.380 1.00 . A A . 5 CYS SG 1 1
6 968 1 1 6 CYS C C 2.789 1.745 2.197 1.00 . A A . 6 CYS C 1 1
6 969 1 1 6 CYS CA C 1.475 2.197 2.799 1.00 . A A . 6 CYS CA 1 1
6 970 1 1 6 CYS CB C 1.642 3.438 3.697 1.00 . A A . 6 CYS CB 1 1
6 971 1 1 6 CYS H H 1.352 0.377 3.830 1.00 . A A . 6 CYS H 1 1
6 972 1 1 6 CYS HA H 0.830 2.421 1.973 1.00 . A A . 6 CYS HA 1 1
6 973 1 1 6 CYS HB2 H 2.095 3.140 4.631 1.00 . A A . 6 CYS HB2 1 1
6 974 1 1 6 CYS HB3 H 2.289 4.147 3.200 1.00 . A A . 6 CYS HB3 1 1
6 975 1 1 6 CYS N N 0.826 1.094 3.472 1.00 . A A . 6 CYS N 1 1
6 976 1 1 6 CYS O O 3.891 2.136 2.603 1.00 . A A . 6 CYS O 1 1
6 977 1 1 6 CYS SG S 0.082 4.293 4.090 1.00 . A A . 6 CYS SG 1 1
6 978 1 1 7 ASN C C 4.030 1.129 -0.781 1.00 . A A . 7 ASN C 1 1
6 979 1 1 7 ASN CA C 3.678 0.288 0.442 1.00 . A A . 7 ASN CA 1 1
6 980 1 1 7 ASN CB C 3.206 -1.063 -0.019 1.00 . A A . 7 ASN CB 1 1
6 981 1 1 7 ASN CG C 3.347 -2.123 1.051 1.00 . A A . 7 ASN CG 1 1
6 982 1 1 7 ASN H H 1.686 0.596 1.037 1.00 . A A . 7 ASN H 1 1
6 983 1 1 7 ASN HA H 4.546 0.167 1.051 1.00 . A A . 7 ASN HA 1 1
6 984 1 1 7 ASN HB2 H 2.155 -0.974 -0.281 1.00 . A A . 7 ASN HB2 1 1
6 985 1 1 7 ASN HB3 H 3.779 -1.354 -0.884 1.00 . A A . 7 ASN HB3 1 1
6 986 1 1 7 ASN HD21 H 5.182 -2.557 0.419 1.00 . A A . 7 ASN HD21 1 1
6 987 1 1 7 ASN HD22 H 4.613 -3.481 1.764 1.00 . A A . 7 ASN HD22 1 1
6 988 1 1 7 ASN N N 2.608 0.881 1.221 1.00 . A A . 7 ASN N 1 1
6 989 1 1 7 ASN ND2 N 4.497 -2.787 1.081 1.00 . A A . 7 ASN ND2 1 1
6 990 1 1 7 ASN O O 3.123 1.631 -1.451 1.00 . A A . 7 ASN O 1 1
6 991 1 1 7 ASN OD1 O 2.436 -2.336 1.845 1.00 . A A . 7 ASN OD1 1 1
6 992 1 1 8 PRO C C 5.491 1.288 -3.544 1.00 . A A . 8 PRO C 1 1
6 993 1 1 8 PRO CA C 5.737 2.072 -2.287 1.00 . A A . 8 PRO CA 1 1
6 994 1 1 8 PRO CB C 7.211 2.418 -2.055 1.00 . A A . 8 PRO CB 1 1
6 995 1 1 8 PRO CD C 6.532 0.864 -0.324 1.00 . A A . 8 PRO CD 1 1
6 996 1 1 8 PRO CG C 7.719 1.361 -1.123 1.00 . A A . 8 PRO CG 1 1
6 997 1 1 8 PRO HA H 5.138 2.963 -2.385 1.00 . A A . 8 PRO HA 1 1
6 998 1 1 8 PRO HB2 H 7.736 2.406 -3.004 1.00 . A A . 8 PRO HB2 1 1
6 999 1 1 8 PRO HB3 H 7.290 3.394 -1.605 1.00 . A A . 8 PRO HB3 1 1
6 1000 1 1 8 PRO HD2 H 6.552 -0.213 -0.250 1.00 . A A . 8 PRO HD2 1 1
6 1001 1 1 8 PRO HD3 H 6.534 1.307 0.662 1.00 . A A . 8 PRO HD3 1 1
6 1002 1 1 8 PRO HG2 H 8.152 0.551 -1.696 1.00 . A A . 8 PRO HG2 1 1
6 1003 1 1 8 PRO HG3 H 8.458 1.784 -0.459 1.00 . A A . 8 PRO HG3 1 1
6 1004 1 1 8 PRO N N 5.347 1.317 -1.100 1.00 . A A . 8 PRO N 1 1
6 1005 1 1 8 PRO O O 6.338 0.565 -4.083 1.00 . A A . 8 PRO O 1 1
6 1006 1 1 9 ALA C C 3.529 -0.666 -5.029 1.00 . A A . 9 ALA C 1 1
6 1007 1 1 9 ALA CA C 3.658 0.872 -5.121 1.00 . A A . 9 ALA CA 1 1
6 1008 1 1 9 ALA CB C 4.380 1.303 -6.405 1.00 . A A . 9 ALA CB 1 1
6 1009 1 1 9 ALA H H 3.681 2.051 -3.414 1.00 . A A . 9 ALA H 1 1
6 1010 1 1 9 ALA HA H 2.681 1.297 -5.144 1.00 . A A . 9 ALA HA 1 1
6 1011 1 1 9 ALA HB1 H 5.376 0.886 -6.419 1.00 . A A . 9 ALA HB1 1 1
6 1012 1 1 9 ALA HB2 H 4.441 2.381 -6.437 1.00 . A A . 9 ALA HB2 1 1
6 1013 1 1 9 ALA HB3 H 3.829 0.949 -7.264 1.00 . A A . 9 ALA HB3 1 1
6 1014 1 1 9 ALA N N 4.251 1.464 -3.953 1.00 . A A . 9 ALA N 1 1
6 1015 1 1 9 ALA O O 3.320 -1.332 -6.052 1.00 . A A . 9 ALA O 1 1
6 1016 1 1 10 . C C 2.079 -3.122 -3.443 1.00 . A A . 10 CY1 C 1 1
6 1017 1 1 10 . CA C 3.518 -2.694 -3.655 1.00 . A A . 10 CY1 CA 1 1
6 1018 1 1 10 . CB C 4.344 -3.182 -2.489 1.00 . A A . 10 CY1 CB 1 1
6 1019 1 1 10 . CD C 5.710 -5.066 -0.924 1.00 . A A . 10 CY1 CD 1 1
6 1020 1 1 10 . CM C 7.377 -8.255 0.353 1.00 . A A . 10 CY1 CM 1 1
6 1021 1 1 10 . CZ C 6.958 -6.784 0.313 1.00 . A A . 10 CY1 CZ 1 1
6 1022 1 1 10 . H H 3.665 -0.685 -2.974 1.00 . A A . 10 CY1 H 1 1
6 1023 1 1 10 . HA H 3.883 -3.144 -4.557 1.00 . A A . 10 CY1 HA 1 1
6 1024 1 1 10 . HB2 H 5.163 -2.593 -2.219 1.00 . A A . 10 CY1 HB2 1 1
6 1025 1 1 10 . HB3 H 3.629 -2.869 -1.649 1.00 . A A . 10 CY1 HB3 1 1
6 1026 1 1 10 . HD2 H 5.118 -4.767 -0.060 1.00 . A A . 10 CY1 HD2 1 1
6 1027 1 1 10 . HD3 H 6.558 -4.389 -1.031 1.00 . A A . 10 CY1 HD3 1 1
6 1028 1 1 10 . HE H 5.920 -7.089 -1.443 1.00 . A A . 10 CY1 HE 1 1
6 1029 1 1 10 . HM1 H 6.614 -8.866 -0.130 1.00 . A A . 10 CY1 HM1 1 1
6 1030 1 1 10 . HM2 H 7.496 -8.571 1.390 1.00 . A A . 10 CY1 HM2 1 1
6 1031 1 1 10 . HM3 H 8.326 -8.374 -0.171 1.00 . A A . 10 CY1 HM3 1 1
6 1032 1 1 10 . N N 3.627 -1.236 -3.802 1.00 . A A . 10 CY1 N 1 1
6 1033 1 1 10 . NE N 6.197 -6.440 -0.735 1.00 . A A . 10 CY1 NE 1 1
6 1034 1 1 10 . O O 1.542 -3.963 -4.167 1.00 . A A . 10 CY1 O 1 1
6 1035 1 1 10 . OAC O 7.304 -6.002 1.197 1.00 . A A . 10 CY1 OAC 1 1
6 1036 1 1 10 . SG S 4.675 -4.981 -2.431 1.00 . A A . 10 CY1 SG 1 1
6 1037 1 1 11 THR C C -0.119 -4.142 -1.531 1.00 . A A . 11 THR C 1 1
6 1038 1 1 11 THR CA C 0.115 -2.721 -1.976 1.00 . A A . 11 THR CA 1 1
6 1039 1 1 11 THR CB C -0.933 -2.240 -2.997 1.00 . A A . 11 THR CB 1 1
6 1040 1 1 11 THR CG2 C -2.341 -2.169 -2.406 1.00 . A A . 11 THR CG2 1 1
6 1041 1 1 11 THR H H 2.083 -2.005 -1.853 1.00 . A A . 11 THR H 1 1
6 1042 1 1 11 THR HA H 0.015 -2.146 -1.110 1.00 . A A . 11 THR HA 1 1
6 1043 1 1 11 THR HB H -0.926 -2.937 -3.791 1.00 . A A . 11 THR HB 1 1
6 1044 1 1 11 THR HG1 H 0.051 -1.055 -4.232 1.00 . A A . 11 THR HG1 1 1
6 1045 1 1 11 THR HG21 H -2.300 -1.709 -1.431 1.00 . A A . 11 THR HG21 1 1
6 1046 1 1 11 THR HG22 H -2.745 -3.167 -2.318 1.00 . A A . 11 THR HG22 1 1
6 1047 1 1 11 THR HG23 H -2.972 -1.582 -3.055 1.00 . A A . 11 THR HG23 1 1
6 1048 1 1 11 THR N N 1.476 -2.505 -2.423 1.00 . A A . 11 THR N 1 1
6 1049 1 1 11 THR O O -0.720 -4.968 -2.231 1.00 . A A . 11 THR O 1 1
6 1050 1 1 11 THR OG1 O -0.569 -0.951 -3.506 1.00 . A A . 11 THR OG1 1 1
6 1051 1 1 12 GLY C C 0.946 -5.841 1.587 1.00 . A A . 12 GLY C 1 1
6 1052 1 1 12 GLY CA C 0.257 -5.686 0.256 1.00 . A A . 12 GLY CA 1 1
6 1053 1 1 12 GLY H H 0.931 -3.694 0.094 1.00 . A A . 12 GLY H 1 1
6 1054 1 1 12 GLY HA2 H -0.795 -5.888 0.379 1.00 . A A . 12 GLY HA2 1 1
6 1055 1 1 12 GLY HA3 H 0.678 -6.361 -0.417 1.00 . A A . 12 GLY HA3 1 1
6 1056 1 1 12 GLY N N 0.402 -4.394 -0.345 1.00 . A A . 12 GLY N 1 1
6 1057 1 1 12 GLY O O 1.325 -6.942 1.992 1.00 . A A . 12 GLY O 1 1
6 1058 1 1 13 CYS C C 3.154 -5.149 3.597 1.00 . A A . 13 CYS C 1 1
6 1059 1 1 13 CYS CA C 1.729 -4.572 3.574 1.00 . A A . 13 CYS CA 1 1
6 1060 1 1 13 CYS CB C 0.875 -5.190 4.697 1.00 . A A . 13 CYS CB 1 1
6 1061 1 1 13 CYS H H 0.725 -3.931 1.812 1.00 . A A . 13 CYS H 1 1
6 1062 1 1 13 CYS HA H 1.802 -3.508 3.762 1.00 . A A . 13 CYS HA 1 1
6 1063 1 1 13 CYS HB2 H 0.243 -5.957 4.277 1.00 . A A . 13 CYS HB2 1 1
6 1064 1 1 13 CYS HB3 H 1.530 -5.634 5.432 1.00 . A A . 13 CYS HB3 1 1
6 1065 1 1 13 CYS N N 1.082 -4.714 2.248 1.00 . A A . 13 CYS N 1 1
6 1066 1 1 13 CYS O O 4.111 -4.346 3.590 1.00 . A A . 13 CYS O 1 1
6 1067 1 1 13 CYS OXT O 3.301 -6.392 3.611 1.00 . A A . 13 CYS OXT 1 1
6 1068 1 1 13 CYS SG S -0.204 -3.997 5.561 1.00 . A A . 13 CYS SG 1 1
7 1069 1 1 1 CYS C C -1.895 4.439 0.131 1.00 . A A . 1 CYS C 1 1
7 1070 1 1 1 CYS CA C -1.663 5.110 1.485 1.00 . A A . 1 CYS CA 1 1
7 1071 1 1 1 CYS CB C -0.180 5.465 1.627 1.00 . A A . 1 CYS CB 1 1
7 1072 1 1 1 CYS H1 H -3.108 4.020 2.524 1.00 . A A . 1 CYS H1 1 1
7 1073 1 1 1 CYS H2 H -1.919 4.702 3.516 1.00 . A A . 1 CYS H2 1 1
7 1074 1 1 1 CYS H3 H -1.559 3.338 2.582 1.00 . A A . 1 CYS H3 1 1
7 1075 1 1 1 CYS HA H -2.247 6.018 1.526 1.00 . A A . 1 CYS HA 1 1
7 1076 1 1 1 CYS HB2 H 0.414 4.604 1.358 1.00 . A A . 1 CYS HB2 1 1
7 1077 1 1 1 CYS HB3 H 0.052 6.278 0.955 1.00 . A A . 1 CYS HB3 1 1
7 1078 1 1 1 CYS N N -2.092 4.232 2.605 1.00 . A A . 1 CYS N 1 1
7 1079 1 1 1 CYS O O -2.279 5.103 -0.835 1.00 . A A . 1 CYS O 1 1
7 1080 1 1 1 CYS SG S 0.317 5.973 3.303 1.00 . A A . 1 CYS SG 1 1
7 1081 1 1 2 . C C -3.186 1.641 -1.198 1.00 . A A . 2 CY1 C 1 1
7 1082 1 1 2 . CA C -1.824 2.353 -1.161 1.00 . A A . 2 CY1 CA 1 1
7 1083 1 1 2 . CB C -0.689 1.375 -1.320 1.00 . A A . 2 CY1 CB 1 1
7 1084 1 1 2 . CD C -0.111 1.868 -4.020 1.00 . A A . 2 CY1 CD 1 1
7 1085 1 1 2 . CM C -3.447 3.698 -4.332 1.00 . A A . 2 CY1 CM 1 1
7 1086 1 1 2 . CZ C -2.429 2.562 -4.450 1.00 . A A . 2 CY1 CZ 1 1
7 1087 1 1 2 . H H -0.797 3.557 0.252 1.00 . A A . 2 CY1 H 1 1
7 1088 1 1 2 . HA H -1.781 3.038 -1.974 1.00 . A A . 2 CY1 HA 1 1
7 1089 1 1 2 . HB2 H 0.257 1.700 -0.977 1.00 . A A . 2 CY1 HB2 1 1
7 1090 1 1 2 . HB3 H -0.961 0.681 -0.462 1.00 . A A . 2 CY1 HB3 1 1
7 1091 1 1 2 . HD2 H 0.763 2.366 -3.594 1.00 . A A . 2 CY1 HD2 1 1
7 1092 1 1 2 . HD3 H 0.001 1.576 -5.062 1.00 . A A . 2 CY1 HD3 1 1
7 1093 1 1 2 . HE H -0.967 3.733 -3.583 1.00 . A A . 2 CY1 HE 1 1
7 1094 1 1 2 . HM1 H -4.449 3.282 -4.230 1.00 . A A . 2 CY1 HM1 1 1
7 1095 1 1 2 . HM2 H -3.400 4.323 -5.224 1.00 . A A . 2 CY1 HM2 1 1
7 1096 1 1 2 . HM3 H -3.212 4.304 -3.456 1.00 . A A . 2 CY1 HM3 1 1
7 1097 1 1 2 . N N -1.657 3.121 0.072 1.00 . A A . 2 CY1 N 1 1
7 1098 1 1 2 . NE N -1.206 2.847 -3.982 1.00 . A A . 2 CY1 NE 1 1
7 1099 1 1 2 . O O -4.043 1.997 -2.012 1.00 . A A . 2 CY1 O 1 1
7 1100 1 1 2 . OAC O -2.741 1.480 -4.943 1.00 . A A . 2 CY1 OAC 1 1
7 1101 1 1 2 . SG S -0.607 0.491 -2.920 1.00 . A A . 2 CY1 SG 1 1
7 1102 1 1 3 GLU C C -4.895 -0.631 1.189 1.00 . A A . 3 GLU C 1 1
7 1103 1 1 3 GLU CA C -4.642 -0.119 -0.241 1.00 . A A . 3 GLU CA 1 1
7 1104 1 1 3 GLU CB C -4.640 -1.286 -1.256 1.00 . A A . 3 GLU CB 1 1
7 1105 1 1 3 GLU CD C -6.538 -0.762 -2.861 1.00 . A A . 3 GLU CD 1 1
7 1106 1 1 3 GLU CG C -6.027 -1.679 -1.762 1.00 . A A . 3 GLU CG 1 1
7 1107 1 1 3 GLU H H -2.720 0.535 0.400 1.00 . A A . 3 GLU H 1 1
7 1108 1 1 3 GLU HA H -5.441 0.561 -0.501 1.00 . A A . 3 GLU HA 1 1
7 1109 1 1 3 GLU HB2 H -4.041 -0.998 -2.111 1.00 . A A . 3 GLU HB2 1 1
7 1110 1 1 3 GLU HB3 H -4.192 -2.154 -0.784 1.00 . A A . 3 GLU HB3 1 1
7 1111 1 1 3 GLU HG2 H -5.985 -2.686 -2.148 1.00 . A A . 3 GLU HG2 1 1
7 1112 1 1 3 GLU HG3 H -6.721 -1.641 -0.935 1.00 . A A . 3 GLU HG3 1 1
7 1113 1 1 3 GLU N N -3.383 0.638 -0.315 1.00 . A A . 3 GLU N 1 1
7 1114 1 1 3 GLU O O -5.848 -0.195 1.840 1.00 . A A . 3 GLU O 1 1
7 1115 1 1 3 GLU OE1 O -7.201 0.245 -2.533 1.00 . A A . 3 GLU OE1 1 1
7 1116 1 1 3 GLU OE2 O -6.276 -1.053 -4.047 1.00 . A A . 3 GLU OE2 1 1
7 1117 1 1 4 LEU C C -2.894 -1.996 3.793 1.00 . A A . 4 LEU C 1 1
7 1118 1 1 4 LEU CA C -4.169 -2.109 3.018 1.00 . A A . 4 LEU CA 1 1
7 1119 1 1 4 LEU CB C -4.690 -3.557 2.979 1.00 . A A . 4 LEU CB 1 1
7 1120 1 1 4 LEU CD1 C -6.240 -3.968 1.047 1.00 . A A . 4 LEU CD1 1 1
7 1121 1 1 4 LEU CD2 C -6.806 -4.858 3.313 1.00 . A A . 4 LEU CD2 1 1
7 1122 1 1 4 LEU CG C -6.149 -3.722 2.545 1.00 . A A . 4 LEU CG 1 1
7 1123 1 1 4 LEU H H -3.308 -1.856 1.105 1.00 . A A . 4 LEU H 1 1
7 1124 1 1 4 LEU HA H -4.844 -1.503 3.539 1.00 . A A . 4 LEU HA 1 1
7 1125 1 1 4 LEU HB2 H -4.069 -4.119 2.298 1.00 . A A . 4 LEU HB2 1 1
7 1126 1 1 4 LEU HB3 H -4.583 -3.981 3.967 1.00 . A A . 4 LEU HB3 1 1
7 1127 1 1 4 LEU HD11 H -5.803 -3.135 0.520 1.00 . A A . 4 LEU HD11 1 1
7 1128 1 1 4 LEU HD12 H -7.276 -4.072 0.760 1.00 . A A . 4 LEU HD12 1 1
7 1129 1 1 4 LEU HD13 H -5.705 -4.872 0.797 1.00 . A A . 4 LEU HD13 1 1
7 1130 1 1 4 LEU HD21 H -6.259 -5.773 3.141 1.00 . A A . 4 LEU HD21 1 1
7 1131 1 1 4 LEU HD22 H -7.825 -4.979 2.975 1.00 . A A . 4 LEU HD22 1 1
7 1132 1 1 4 LEU HD23 H -6.802 -4.628 4.368 1.00 . A A . 4 LEU HD23 1 1
7 1133 1 1 4 LEU HG H -6.688 -2.812 2.766 1.00 . A A . 4 LEU HG 1 1
7 1134 1 1 4 LEU N N -4.039 -1.551 1.669 1.00 . A A . 4 LEU N 1 1
7 1135 1 1 4 LEU O O -2.513 -2.895 4.559 1.00 . A A . 4 LEU O 1 1
7 1136 1 1 5 CYS C C -0.614 0.845 3.763 1.00 . A A . 5 CYS C 1 1
7 1137 1 1 5 CYS CA C -1.050 -0.508 4.267 1.00 . A A . 5 CYS CA 1 1
7 1138 1 1 5 CYS CB C -0.019 -1.569 3.926 1.00 . A A . 5 CYS CB 1 1
7 1139 1 1 5 CYS H H -2.604 -0.195 2.984 1.00 . A A . 5 CYS H 1 1
7 1140 1 1 5 CYS HA H -1.235 -0.481 5.315 1.00 . A A . 5 CYS HA 1 1
7 1141 1 1 5 CYS HB2 H -0.544 -2.336 3.375 1.00 . A A . 5 CYS HB2 1 1
7 1142 1 1 5 CYS HB3 H 0.749 -1.132 3.296 1.00 . A A . 5 CYS HB3 1 1
7 1143 1 1 5 CYS N N -2.259 -0.840 3.616 1.00 . A A . 5 CYS N 1 1
7 1144 1 1 5 CYS O O -1.439 1.702 3.429 1.00 . A A . 5 CYS O 1 1
7 1145 1 1 5 CYS SG S 0.775 -2.339 5.374 1.00 . A A . 5 CYS SG 1 1
7 1146 1 1 6 CYS C C 2.604 1.872 2.540 1.00 . A A . 6 CYS C 1 1
7 1147 1 1 6 CYS CA C 1.288 2.216 3.204 1.00 . A A . 6 CYS CA 1 1
7 1148 1 1 6 CYS CB C 1.422 3.322 4.269 1.00 . A A . 6 CYS CB 1 1
7 1149 1 1 6 CYS H H 1.231 0.305 4.044 1.00 . A A . 6 CYS H 1 1
7 1150 1 1 6 CYS HA H 0.631 2.522 2.421 1.00 . A A . 6 CYS HA 1 1
7 1151 1 1 6 CYS HB2 H 0.455 3.495 4.718 1.00 . A A . 6 CYS HB2 1 1
7 1152 1 1 6 CYS HB3 H 2.113 2.994 5.032 1.00 . A A . 6 CYS HB3 1 1
7 1153 1 1 6 CYS N N 0.680 1.019 3.725 1.00 . A A . 6 CYS N 1 1
7 1154 1 1 6 CYS O O 3.701 2.256 2.965 1.00 . A A . 6 CYS O 1 1
7 1155 1 1 6 CYS SG S 2.021 4.918 3.627 1.00 . A A . 6 CYS SG 1 1
7 1156 1 1 7 ASN C C 3.612 1.405 -0.651 1.00 . A A . 7 ASN C 1 1
7 1157 1 1 7 ASN CA C 3.486 0.612 0.642 1.00 . A A . 7 ASN CA 1 1
7 1158 1 1 7 ASN CB C 3.158 -0.814 0.308 1.00 . A A . 7 ASN CB 1 1
7 1159 1 1 7 ASN CG C 3.549 -1.778 1.409 1.00 . A A . 7 ASN CG 1 1
7 1160 1 1 7 ASN H H 1.502 0.843 1.272 1.00 . A A . 7 ASN H 1 1
7 1161 1 1 7 ASN HA H 4.413 0.642 1.169 1.00 . A A . 7 ASN HA 1 1
7 1162 1 1 7 ASN HB2 H 2.086 -0.880 0.149 1.00 . A A . 7 ASN HB2 1 1
7 1163 1 1 7 ASN HB3 H 3.679 -1.082 -0.595 1.00 . A A . 7 ASN HB3 1 1
7 1164 1 1 7 ASN HD21 H 5.297 -2.117 0.526 1.00 . A A . 7 ASN HD21 1 1
7 1165 1 1 7 ASN HD22 H 5.022 -2.976 1.999 1.00 . A A . 7 ASN HD22 1 1
7 1166 1 1 7 ASN N N 2.423 1.111 1.483 1.00 . A A . 7 ASN N 1 1
7 1167 1 1 7 ASN ND2 N 4.743 -2.348 1.301 1.00 . A A . 7 ASN ND2 1 1
7 1168 1 1 7 ASN O O 2.599 1.663 -1.311 1.00 . A A . 7 ASN O 1 1
7 1169 1 1 7 ASN OD1 O 2.786 -2.007 2.346 1.00 . A A . 7 ASN OD1 1 1
7 1170 1 1 8 PRO C C 5.003 1.615 -3.484 1.00 . A A . 8 PRO C 1 1
7 1171 1 1 8 PRO CA C 5.050 2.541 -2.299 1.00 . A A . 8 PRO CA 1 1
7 1172 1 1 8 PRO CB C 6.401 3.243 -2.126 1.00 . A A . 8 PRO CB 1 1
7 1173 1 1 8 PRO CD C 6.128 1.684 -0.289 1.00 . A A . 8 PRO CD 1 1
7 1174 1 1 8 PRO CG C 7.154 2.407 -1.138 1.00 . A A . 8 PRO CG 1 1
7 1175 1 1 8 PRO HA H 4.259 3.258 -2.462 1.00 . A A . 8 PRO HA 1 1
7 1176 1 1 8 PRO HB2 H 6.907 3.289 -3.084 1.00 . A A . 8 PRO HB2 1 1
7 1177 1 1 8 PRO HB3 H 6.247 4.239 -1.745 1.00 . A A . 8 PRO HB3 1 1
7 1178 1 1 8 PRO HD2 H 6.395 0.643 -0.180 1.00 . A A . 8 PRO HD2 1 1
7 1179 1 1 8 PRO HD3 H 6.049 2.154 0.682 1.00 . A A . 8 PRO HD3 1 1
7 1180 1 1 8 PRO HG2 H 7.774 1.693 -1.666 1.00 . A A . 8 PRO HG2 1 1
7 1181 1 1 8 PRO HG3 H 7.767 3.040 -0.514 1.00 . A A . 8 PRO HG3 1 1
7 1182 1 1 8 PRO N N 4.853 1.824 -1.045 1.00 . A A . 8 PRO N 1 1
7 1183 1 1 8 PRO O O 5.992 1.025 -3.934 1.00 . A A . 8 PRO O 1 1
7 1184 1 1 9 ALA C C 3.408 -0.819 -4.806 1.00 . A A . 9 ALA C 1 1
7 1185 1 1 9 ALA CA C 3.350 0.707 -5.059 1.00 . A A . 9 ALA CA 1 1
7 1186 1 1 9 ALA CB C 4.109 1.092 -6.337 1.00 . A A . 9 ALA CB 1 1
7 1187 1 1 9 ALA H H 3.072 1.999 -3.453 1.00 . A A . 9 ALA H 1 1
7 1188 1 1 9 ALA HA H 2.331 0.991 -5.197 1.00 . A A . 9 ALA HA 1 1
7 1189 1 1 9 ALA HB1 H 4.046 2.161 -6.485 1.00 . A A . 9 ALA HB1 1 1
7 1190 1 1 9 ALA HB2 H 3.671 0.585 -7.184 1.00 . A A . 9 ALA HB2 1 1
7 1191 1 1 9 ALA HB3 H 5.145 0.803 -6.242 1.00 . A A . 9 ALA HB3 1 1
7 1192 1 1 9 ALA N N 3.767 1.500 -3.930 1.00 . A A . 9 ALA N 1 1
7 1193 1 1 9 ALA O O 3.365 -1.602 -5.765 1.00 . A A . 9 ALA O 1 1
7 1194 1 1 10 . C C 2.151 -3.306 -3.131 1.00 . A A . 10 CY1 C 1 1
7 1195 1 1 10 . CA C 3.536 -2.708 -3.249 1.00 . A A . 10 CY1 CA 1 1
7 1196 1 1 10 . CB C 4.269 -2.992 -1.967 1.00 . A A . 10 CY1 CB 1 1
7 1197 1 1 10 . CD C 5.700 -5.110 -3.129 1.00 . A A . 10 CY1 CD 1 1
7 1198 1 1 10 . CM C 7.027 -8.590 -2.282 1.00 . A A . 10 CY1 CM 1 1
7 1199 1 1 10 . CZ C 6.721 -7.101 -2.108 1.00 . A A . 10 CY1 CZ 1 1
7 1200 1 1 10 . H H 3.439 -0.639 -2.743 1.00 . A A . 10 CY1 H 1 1
7 1201 1 1 10 . HA H 4.051 -3.177 -4.057 1.00 . A A . 10 CY1 HA 1 1
7 1202 1 1 10 . HB2 H 5.025 -2.325 -1.706 1.00 . A A . 10 CY1 HB2 1 1
7 1203 1 1 10 . HB3 H 3.462 -2.625 -1.241 1.00 . A A . 10 CY1 HB3 1 1
7 1204 1 1 10 . HD2 H 6.602 -4.497 -3.114 1.00 . A A . 10 CY1 HD2 1 1
7 1205 1 1 10 . HD3 H 5.125 -4.880 -4.025 1.00 . A A . 10 CY1 HD3 1 1
7 1206 1 1 10 . HE H 5.804 -7.037 -3.954 1.00 . A A . 10 CY1 HE 1 1
7 1207 1 1 10 . HM1 H 7.164 -8.813 -3.339 1.00 . A A . 10 CY1 HM1 1 1
7 1208 1 1 10 . HM2 H 6.199 -9.180 -1.889 1.00 . A A . 10 CY1 HM2 1 1
7 1209 1 1 10 . HM3 H 7.937 -8.837 -1.735 1.00 . A A . 10 CY1 HM3 1 1
7 1210 1 1 10 . N N 3.481 -1.259 -3.522 1.00 . A A . 10 CY1 N 1 1
7 1211 1 1 10 . NE N 6.072 -6.532 -3.133 1.00 . A A . 10 CY1 NE 1 1
7 1212 1 1 10 . O O 1.860 -4.372 -3.680 1.00 . A A . 10 CY1 O 1 1
7 1213 1 1 10 . OAC O 7.056 -6.500 -1.088 1.00 . A A . 10 CY1 OAC 1 1
7 1214 1 1 10 . SG S 4.687 -4.745 -1.650 1.00 . A A . 10 CY1 SG 1 1
7 1215 1 1 11 THR C C -0.224 -4.343 -1.569 1.00 . A A . 11 THR C 1 1
7 1216 1 1 11 THR CA C -0.068 -2.921 -2.063 1.00 . A A . 11 THR CA 1 1
7 1217 1 1 11 THR CB C -1.111 -2.546 -3.176 1.00 . A A . 11 THR CB 1 1
7 1218 1 1 11 THR CG2 C -0.827 -3.213 -4.526 1.00 . A A . 11 THR CG2 1 1
7 1219 1 1 11 THR H H 1.840 -2.070 -1.746 1.00 . A A . 11 THR H 1 1
7 1220 1 1 11 THR HA H -0.276 -2.326 -1.205 1.00 . A A . 11 THR HA 1 1
7 1221 1 1 11 THR HB H -1.075 -1.475 -3.315 1.00 . A A . 11 THR HB 1 1
7 1222 1 1 11 THR HG1 H -2.633 -2.459 -1.922 1.00 . A A . 11 THR HG1 1 1
7 1223 1 1 11 THR HG21 H -1.576 -2.907 -5.243 1.00 . A A . 11 THR HG21 1 1
7 1224 1 1 11 THR HG22 H -0.856 -4.286 -4.412 1.00 . A A . 11 THR HG22 1 1
7 1225 1 1 11 THR HG23 H 0.150 -2.914 -4.878 1.00 . A A . 11 THR HG23 1 1
7 1226 1 1 11 THR N N 1.310 -2.583 -2.390 1.00 . A A . 11 THR N 1 1
7 1227 1 1 11 THR O O -0.664 -5.252 -2.285 1.00 . A A . 11 THR O 1 1
7 1228 1 1 11 THR OG1 O -2.435 -2.899 -2.751 1.00 . A A . 11 THR OG1 1 1
7 1229 1 1 12 GLY C C 0.942 -5.907 1.567 1.00 . A A . 12 GLY C 1 1
7 1230 1 1 12 GLY CA C 0.088 -5.771 0.332 1.00 . A A . 12 GLY CA 1 1
7 1231 1 1 12 GLY H H 0.583 -3.728 0.138 1.00 . A A . 12 GLY H 1 1
7 1232 1 1 12 GLY HA2 H -0.945 -5.947 0.596 1.00 . A A . 12 GLY HA2 1 1
7 1233 1 1 12 GLY HA3 H 0.402 -6.477 -0.368 1.00 . A A . 12 GLY HA3 1 1
7 1234 1 1 12 GLY N N 0.182 -4.496 -0.321 1.00 . A A . 12 GLY N 1 1
7 1235 1 1 12 GLY O O 1.410 -6.996 1.908 1.00 . A A . 12 GLY O 1 1
7 1236 1 1 13 CYS C C 3.342 -5.179 3.325 1.00 . A A . 13 CYS C 1 1
7 1237 1 1 13 CYS CA C 1.913 -4.629 3.465 1.00 . A A . 13 CYS CA 1 1
7 1238 1 1 13 CYS CB C 1.202 -5.266 4.673 1.00 . A A . 13 CYS CB 1 1
7 1239 1 1 13 CYS H H 0.685 -4.005 1.848 1.00 . A A . 13 CYS H 1 1
7 1240 1 1 13 CYS HA H 1.988 -3.565 3.649 1.00 . A A . 13 CYS HA 1 1
7 1241 1 1 13 CYS HB2 H 0.709 -6.173 4.355 1.00 . A A . 13 CYS HB2 1 1
7 1242 1 1 13 CYS HB3 H 1.937 -5.508 5.428 1.00 . A A . 13 CYS HB3 1 1
7 1243 1 1 13 CYS N N 1.118 -4.780 2.224 1.00 . A A . 13 CYS N 1 1
7 1244 1 1 13 CYS O O 3.512 -6.419 3.311 1.00 . A A . 13 CYS O 1 1
7 1245 1 1 13 CYS OXT O 4.278 -4.358 3.229 1.00 . A A . 13 CYS OXT 1 1
7 1246 1 1 13 CYS SG S -0.055 -4.193 5.444 1.00 . A A . 13 CYS SG 1 1
8 1247 1 1 1 CYS C C -2.137 4.380 -0.191 1.00 . A A . 1 CYS C 1 1
8 1248 1 1 1 CYS CA C -1.944 5.212 1.079 1.00 . A A . 1 CYS CA 1 1
8 1249 1 1 1 CYS CB C -0.524 5.018 1.614 1.00 . A A . 1 CYS CB 1 1
8 1250 1 1 1 CYS H1 H -2.789 5.404 2.978 1.00 . A A . 1 CYS H1 1 1
8 1251 1 1 1 CYS H2 H -2.844 3.831 2.359 1.00 . A A . 1 CYS H2 1 1
8 1252 1 1 1 CYS H3 H -3.904 5.009 1.768 1.00 . A A . 1 CYS H3 1 1
8 1253 1 1 1 CYS HA H -2.087 6.253 0.834 1.00 . A A . 1 CYS HA 1 1
8 1254 1 1 1 CYS HB2 H -0.315 3.965 1.662 1.00 . A A . 1 CYS HB2 1 1
8 1255 1 1 1 CYS HB3 H 0.176 5.488 0.938 1.00 . A A . 1 CYS HB3 1 1
8 1256 1 1 1 CYS N N -2.939 4.838 2.118 1.00 . A A . 1 CYS N 1 1
8 1257 1 1 1 CYS O O -2.166 4.928 -1.297 1.00 . A A . 1 CYS O 1 1
8 1258 1 1 1 CYS SG S -0.241 5.711 3.276 1.00 . A A . 1 CYS SG 1 1
8 1259 1 1 2 . C C -3.806 1.408 -1.018 1.00 . A A . 2 CY1 C 1 1
8 1260 1 1 2 . CA C -2.459 2.131 -1.137 1.00 . A A . 2 CY1 CA 1 1
8 1261 1 1 2 . CB C -1.317 1.159 -1.214 1.00 . A A . 2 CY1 CB 1 1
8 1262 1 1 2 . CD C 0.144 2.990 -2.754 1.00 . A A . 2 CY1 CD 1 1
8 1263 1 1 2 . CM C 3.397 4.501 -4.063 1.00 . A A . 2 CY1 CM 1 1
8 1264 1 1 2 . CZ C 2.097 3.694 -4.070 1.00 . A A . 2 CY1 CZ 1 1
8 1265 1 1 2 . H H -1.369 3.399 0.170 1.00 . A A . 2 CY1 H 1 1
8 1266 1 1 2 . HA H -2.453 2.697 -2.035 1.00 . A A . 2 CY1 HA 1 1
8 1267 1 1 2 . HB2 H -1.380 0.367 -0.555 1.00 . A A . 2 CY1 HB2 1 1
8 1268 1 1 2 . HB3 H -1.604 0.610 -2.185 1.00 . A A . 2 CY1 HB3 1 1
8 1269 1 1 2 . HD2 H 0.022 2.375 -3.648 1.00 . A A . 2 CY1 HD2 1 1
8 1270 1 1 2 . HD3 H -0.623 3.749 -2.620 1.00 . A A . 2 CY1 HD3 1 1
8 1271 1 1 2 . HE H 1.723 4.212 -2.109 1.00 . A A . 2 CY1 HE 1 1
8 1272 1 1 2 . HM1 H 3.193 5.523 -4.381 1.00 . A A . 2 CY1 HM1 1 1
8 1273 1 1 2 . HM2 H 4.114 4.043 -4.744 1.00 . A A . 2 CY1 HM2 1 1
8 1274 1 1 2 . HM3 H 3.811 4.509 -3.054 1.00 . A A . 2 CY1 HM3 1 1
8 1275 1 1 2 . N N -2.267 3.056 -0.019 1.00 . A A . 2 CY1 N 1 1
8 1276 1 1 2 . NE N 1.413 3.713 -2.918 1.00 . A A . 2 CY1 NE 1 1
8 1277 1 1 2 . O O -4.701 1.629 -1.838 1.00 . A A . 2 CY1 O 1 1
8 1278 1 1 2 . OAC O 1.731 3.091 -5.077 1.00 . A A . 2 CY1 OAC 1 1
8 1279 1 1 2 . SG S 0.356 1.896 -1.302 1.00 . A A . 2 CY1 SG 1 1
8 1280 1 1 3 GLU C C -5.298 -0.598 1.738 1.00 . A A . 3 GLU C 1 1
8 1281 1 1 3 GLU CA C -5.185 -0.209 0.260 1.00 . A A . 3 GLU CA 1 1
8 1282 1 1 3 GLU CB C -5.266 -1.464 -0.629 1.00 . A A . 3 GLU CB 1 1
8 1283 1 1 3 GLU CD C -6.706 -2.925 -2.107 1.00 . A A . 3 GLU CD 1 1
8 1284 1 1 3 GLU CG C -6.665 -1.743 -1.158 1.00 . A A . 3 GLU CG 1 1
8 1285 1 1 3 GLU H H -3.156 0.363 0.562 1.00 . A A . 3 GLU H 1 1
8 1286 1 1 3 GLU HA H -6.012 0.442 0.016 1.00 . A A . 3 GLU HA 1 1
8 1287 1 1 3 GLU HB2 H -4.604 -1.335 -1.476 1.00 . A A . 3 GLU HB2 1 1
8 1288 1 1 3 GLU HB3 H -4.944 -2.323 -0.050 1.00 . A A . 3 GLU HB3 1 1
8 1289 1 1 3 GLU HG2 H -7.317 -1.949 -0.323 1.00 . A A . 3 GLU HG2 1 1
8 1290 1 1 3 GLU HG3 H -7.017 -0.867 -1.682 1.00 . A A . 3 GLU HG3 1 1
8 1291 1 1 3 GLU N N -3.946 0.544 0.010 1.00 . A A . 3 GLU N 1 1
8 1292 1 1 3 GLU O O -6.286 -0.258 2.395 1.00 . A A . 3 GLU O 1 1
8 1293 1 1 3 GLU OE1 O -6.392 -2.739 -3.301 1.00 . A A . 3 GLU OE1 1 1
8 1294 1 1 3 GLU OE2 O -7.055 -4.036 -1.656 1.00 . A A . 3 GLU OE2 1 1
8 1295 1 1 4 LEU C C -2.882 -1.662 4.245 1.00 . A A . 4 LEU C 1 1
8 1296 1 1 4 LEU CA C -4.257 -1.753 3.654 1.00 . A A . 4 LEU CA 1 1
8 1297 1 1 4 LEU CB C -4.862 -3.169 3.795 1.00 . A A . 4 LEU CB 1 1
8 1298 1 1 4 LEU CD1 C -6.803 -3.112 5.400 1.00 . A A . 4 LEU CD1 1 1
8 1299 1 1 4 LEU CD2 C -5.225 -5.055 5.411 1.00 . A A . 4 LEU CD2 1 1
8 1300 1 1 4 LEU CG C -5.359 -3.554 5.197 1.00 . A A . 4 LEU CG 1 1
8 1301 1 1 4 LEU H H -3.527 -1.544 1.679 1.00 . A A . 4 LEU H 1 1
8 1302 1 1 4 LEU HA H -4.821 -1.067 4.206 1.00 . A A . 4 LEU HA 1 1
8 1303 1 1 4 LEU HB2 H -5.695 -3.248 3.112 1.00 . A A . 4 LEU HB2 1 1
8 1304 1 1 4 LEU HB3 H -4.111 -3.886 3.498 1.00 . A A . 4 LEU HB3 1 1
8 1305 1 1 4 LEU HD11 H -7.432 -3.591 4.664 1.00 . A A . 4 LEU HD11 1 1
8 1306 1 1 4 LEU HD12 H -6.870 -2.040 5.288 1.00 . A A . 4 LEU HD12 1 1
8 1307 1 1 4 LEU HD13 H -7.131 -3.393 6.390 1.00 . A A . 4 LEU HD13 1 1
8 1308 1 1 4 LEU HD21 H -5.800 -5.578 4.660 1.00 . A A . 4 LEU HD21 1 1
8 1309 1 1 4 LEU HD22 H -5.594 -5.314 6.392 1.00 . A A . 4 LEU HD22 1 1
8 1310 1 1 4 LEU HD23 H -4.186 -5.339 5.330 1.00 . A A . 4 LEU HD23 1 1
8 1311 1 1 4 LEU HG H -4.751 -3.055 5.937 1.00 . A A . 4 LEU HG 1 1
8 1312 1 1 4 LEU N N -4.279 -1.313 2.254 1.00 . A A . 4 LEU N 1 1
8 1313 1 1 4 LEU O O -2.472 -2.502 5.058 1.00 . A A . 4 LEU O 1 1
8 1314 1 1 5 CYS C C -0.416 0.960 3.647 1.00 . A A . 5 CYS C 1 1
8 1315 1 1 5 CYS CA C -0.890 -0.306 4.326 1.00 . A A . 5 CYS CA 1 1
8 1316 1 1 5 CYS CB C 0.009 -1.479 3.975 1.00 . A A . 5 CYS CB 1 1
8 1317 1 1 5 CYS H H -2.563 0.018 3.213 1.00 . A A . 5 CYS H 1 1
8 1318 1 1 5 CYS HA H -0.941 -0.173 5.381 1.00 . A A . 5 CYS HA 1 1
8 1319 1 1 5 CYS HB2 H -0.625 -2.215 3.494 1.00 . A A . 5 CYS HB2 1 1
8 1320 1 1 5 CYS HB3 H 0.777 -1.145 3.282 1.00 . A A . 5 CYS HB3 1 1
8 1321 1 1 5 CYS N N -2.191 -0.590 3.863 1.00 . A A . 5 CYS N 1 1
8 1322 1 1 5 CYS O O -1.218 1.811 3.244 1.00 . A A . 5 CYS O 1 1
8 1323 1 1 5 CYS SG S 0.812 -2.272 5.408 1.00 . A A . 5 CYS SG 1 1
8 1324 1 1 6 CYS C C 2.832 1.718 2.243 1.00 . A A . 6 CYS C 1 1
8 1325 1 1 6 CYS CA C 1.527 2.170 2.860 1.00 . A A . 6 CYS CA 1 1
8 1326 1 1 6 CYS CB C 1.699 3.412 3.760 1.00 . A A . 6 CYS CB 1 1
8 1327 1 1 6 CYS H H 1.413 0.352 3.895 1.00 . A A . 6 CYS H 1 1
8 1328 1 1 6 CYS HA H 0.877 2.394 2.039 1.00 . A A . 6 CYS HA 1 1
8 1329 1 1 6 CYS HB2 H 2.327 3.156 4.599 1.00 . A A . 6 CYS HB2 1 1
8 1330 1 1 6 CYS HB3 H 2.173 4.197 3.189 1.00 . A A . 6 CYS HB3 1 1
8 1331 1 1 6 CYS N N 0.884 1.064 3.534 1.00 . A A . 6 CYS N 1 1
8 1332 1 1 6 CYS O O 3.941 2.100 2.640 1.00 . A A . 6 CYS O 1 1
8 1333 1 1 6 CYS SG S 0.135 4.078 4.425 1.00 . A A . 6 CYS SG 1 1
8 1334 1 1 7 ASN C C 4.009 1.111 -0.759 1.00 . A A . 7 ASN C 1 1
8 1335 1 1 7 ASN CA C 3.682 0.263 0.465 1.00 . A A . 7 ASN CA 1 1
8 1336 1 1 7 ASN CB C 3.188 -1.083 0.008 1.00 . A A . 7 ASN CB 1 1
8 1337 1 1 7 ASN CG C 3.257 -2.128 1.101 1.00 . A A . 7 ASN CG 1 1
8 1338 1 1 7 ASN H H 1.705 0.585 1.094 1.00 . A A . 7 ASN H 1 1
8 1339 1 1 7 ASN HA H 4.562 0.135 1.056 1.00 . A A . 7 ASN HA 1 1
8 1340 1 1 7 ASN HB2 H 2.150 -0.968 -0.294 1.00 . A A . 7 ASN HB2 1 1
8 1341 1 1 7 ASN HB3 H 3.783 -1.407 -0.829 1.00 . A A . 7 ASN HB3 1 1
8 1342 1 1 7 ASN HD21 H 5.087 -2.647 0.527 1.00 . A A . 7 ASN HD21 1 1
8 1343 1 1 7 ASN HD22 H 4.446 -3.520 1.874 1.00 . A A . 7 ASN HD22 1 1
8 1344 1 1 7 ASN N N 2.632 0.861 1.266 1.00 . A A . 7 ASN N 1 1
8 1345 1 1 7 ASN ND2 N 4.376 -2.836 1.175 1.00 . A A . 7 ASN ND2 1 1
8 1346 1 1 7 ASN O O 3.087 1.618 -1.407 1.00 . A A . 7 ASN O 1 1
8 1347 1 1 7 ASN OD1 O 2.315 -2.289 1.873 1.00 . A A . 7 ASN OD1 1 1
8 1348 1 1 8 PRO C C 5.412 1.298 -3.553 1.00 . A A . 8 PRO C 1 1
8 1349 1 1 8 PRO CA C 5.689 2.066 -2.294 1.00 . A A . 8 PRO CA 1 1
8 1350 1 1 8 PRO CB C 7.170 2.399 -2.090 1.00 . A A . 8 PRO CB 1 1
8 1351 1 1 8 PRO CD C 6.519 0.828 -0.364 1.00 . A A . 8 PRO CD 1 1
8 1352 1 1 8 PRO CG C 7.691 1.327 -1.184 1.00 . A A . 8 PRO CG 1 1
8 1353 1 1 8 PRO HA H 5.093 2.962 -2.370 1.00 . A A . 8 PRO HA 1 1
8 1354 1 1 8 PRO HB2 H 7.674 2.397 -3.050 1.00 . A A . 8 PRO HB2 1 1
8 1355 1 1 8 PRO HB3 H 7.265 3.369 -1.628 1.00 . A A . 8 PRO HB3 1 1
8 1356 1 1 8 PRO HD2 H 6.533 -0.250 -0.305 1.00 . A A . 8 PRO HD2 1 1
8 1357 1 1 8 PRO HD3 H 6.547 1.258 0.628 1.00 . A A . 8 PRO HD3 1 1
8 1358 1 1 8 PRO HG2 H 8.104 0.521 -1.777 1.00 . A A . 8 PRO HG2 1 1
8 1359 1 1 8 PRO HG3 H 8.448 1.734 -0.532 1.00 . A A . 8 PRO HG3 1 1
8 1360 1 1 8 PRO N N 5.319 1.299 -1.106 1.00 . A A . 8 PRO N 1 1
8 1361 1 1 8 PRO O O 6.247 0.589 -4.128 1.00 . A A . 8 PRO O 1 1
8 1362 1 1 9 ALA C C 3.430 -0.653 -5.001 1.00 . A A . 9 ALA C 1 1
8 1363 1 1 9 ALA CA C 3.538 0.888 -5.082 1.00 . A A . 9 ALA CA 1 1
8 1364 1 1 9 ALA CB C 4.217 1.339 -6.382 1.00 . A A . 9 ALA CB 1 1
8 1365 1 1 9 ALA H H 3.604 2.051 -3.363 1.00 . A A . 9 ALA H 1 1
8 1366 1 1 9 ALA HA H 2.556 1.305 -5.069 1.00 . A A . 9 ALA HA 1 1
8 1367 1 1 9 ALA HB1 H 3.643 0.992 -7.228 1.00 . A A . 9 ALA HB1 1 1
8 1368 1 1 9 ALA HB2 H 5.214 0.927 -6.431 1.00 . A A . 9 ALA HB2 1 1
8 1369 1 1 9 ALA HB3 H 4.273 2.418 -6.403 1.00 . A A . 9 ALA HB3 1 1
8 1370 1 1 9 ALA N N 4.160 1.472 -3.925 1.00 . A A . 9 ALA N 1 1
8 1371 1 1 9 ALA O O 3.173 -1.308 -6.020 1.00 . A A . 9 ALA O 1 1
8 1372 1 1 10 . C C 2.089 -3.153 -3.430 1.00 . A A . 10 CY1 C 1 1
8 1373 1 1 10 . CA C 3.517 -2.697 -3.651 1.00 . A A . 10 CY1 CA 1 1
8 1374 1 1 10 . CB C 4.356 -3.177 -2.492 1.00 . A A . 10 CY1 CB 1 1
8 1375 1 1 10 . CD C 5.717 -5.059 -0.920 1.00 . A A . 10 CY1 CD 1 1
8 1376 1 1 10 . CM C 7.209 -8.284 0.480 1.00 . A A . 10 CY1 CM 1 1
8 1377 1 1 10 . CZ C 6.870 -6.795 0.384 1.00 . A A . 10 CY1 CZ 1 1
8 1378 1 1 10 . H H 3.633 -0.690 -2.956 1.00 . A A . 10 CY1 H 1 1
8 1379 1 1 10 . HA H 3.885 -3.135 -4.559 1.00 . A A . 10 CY1 HA 1 1
8 1380 1 1 10 . HB2 H 5.170 -2.580 -2.224 1.00 . A A . 10 CY1 HB2 1 1
8 1381 1 1 10 . HB3 H 3.643 -2.877 -1.648 1.00 . A A . 10 CY1 HB3 1 1
8 1382 1 1 10 . HD2 H 5.131 -4.701 -0.073 1.00 . A A . 10 CY1 HD2 1 1
8 1383 1 1 10 . HD3 H 6.600 -4.431 -1.036 1.00 . A A . 10 CY1 HD3 1 1
8 1384 1 1 10 . HE H 5.816 -7.109 -1.362 1.00 . A A . 10 CY1 HE 1 1
8 1385 1 1 10 . HM1 H 8.146 -8.480 -0.042 1.00 . A A . 10 CY1 HM1 1 1
8 1386 1 1 10 . HM2 H 6.409 -8.869 0.028 1.00 . A A . 10 CY1 HM2 1 1
8 1387 1 1 10 . HM3 H 7.311 -8.563 1.529 1.00 . A A . 10 CY1 HM3 1 1
8 1388 1 1 10 . N N 3.598 -1.235 -3.788 1.00 . A A . 10 CY1 N 1 1
8 1389 1 1 10 . NE N 6.130 -6.449 -0.678 1.00 . A A . 10 CY1 NE 1 1
8 1390 1 1 10 . O O 1.564 -4.009 -4.148 1.00 . A A . 10 CY1 O 1 1
8 1391 1 1 10 . OAC O 7.264 -5.999 1.235 1.00 . A A . 10 CY1 OAC 1 1
8 1392 1 1 10 . SG S 4.707 -4.973 -2.443 1.00 . A A . 10 CY1 SG 1 1
8 1393 1 1 11 THR C C -0.071 -4.221 -1.517 1.00 . A A . 11 THR C 1 1
8 1394 1 1 11 THR CA C 0.127 -2.792 -1.953 1.00 . A A . 11 THR CA 1 1
8 1395 1 1 11 THR CB C -0.934 -2.331 -2.967 1.00 . A A . 11 THR CB 1 1
8 1396 1 1 11 THR CG2 C -2.321 -2.205 -2.342 1.00 . A A . 11 THR CG2 1 1
8 1397 1 1 11 THR H H 2.075 -2.034 -1.838 1.00 . A A . 11 THR H 1 1
8 1398 1 1 11 THR HA H 0.019 -2.224 -1.083 1.00 . A A . 11 THR HA 1 1
8 1399 1 1 11 THR HB H -0.964 -3.061 -3.730 1.00 . A A . 11 THR HB 1 1
8 1400 1 1 11 THR HG1 H 0.362 -1.106 -3.813 1.00 . A A . 11 THR HG1 1 1
8 1401 1 1 11 THR HG21 H -2.276 -1.535 -1.497 1.00 . A A . 11 THR HG21 1 1
8 1402 1 1 11 THR HG22 H -2.659 -3.176 -2.014 1.00 . A A . 11 THR HG22 1 1
8 1403 1 1 11 THR HG23 H -3.011 -1.814 -3.076 1.00 . A A . 11 THR HG23 1 1
8 1404 1 1 11 THR N N 1.479 -2.548 -2.406 1.00 . A A . 11 THR N 1 1
8 1405 1 1 11 THR O O -0.644 -5.061 -2.223 1.00 . A A . 11 THR O 1 1
8 1406 1 1 11 THR OG1 O -0.558 -1.071 -3.538 1.00 . A A . 11 THR OG1 1 1
8 1407 1 1 12 GLY C C 1.060 -5.900 1.587 1.00 . A A . 12 GLY C 1 1
8 1408 1 1 12 GLY CA C 0.348 -5.761 0.266 1.00 . A A . 12 GLY CA 1 1
8 1409 1 1 12 GLY H H 0.960 -3.748 0.113 1.00 . A A . 12 GLY H 1 1
8 1410 1 1 12 GLY HA2 H -0.697 -5.993 0.402 1.00 . A A . 12 GLY HA2 1 1
8 1411 1 1 12 GLY HA3 H 0.778 -6.423 -0.414 1.00 . A A . 12 GLY HA3 1 1
8 1412 1 1 12 GLY N N 0.454 -4.463 -0.331 1.00 . A A . 12 GLY N 1 1
8 1413 1 1 12 GLY O O 1.495 -6.988 1.973 1.00 . A A . 12 GLY O 1 1
8 1414 1 1 13 CYS C C 3.249 -5.152 3.594 1.00 . A A . 13 CYS C 1 1
8 1415 1 1 13 CYS CA C 1.810 -4.612 3.576 1.00 . A A . 13 CYS CA 1 1
8 1416 1 1 13 CYS CB C 0.980 -5.243 4.709 1.00 . A A . 13 CYS CB 1 1
8 1417 1 1 13 CYS H H 0.758 -4.004 1.832 1.00 . A A . 13 CYS H 1 1
8 1418 1 1 13 CYS HA H 1.858 -3.546 3.759 1.00 . A A . 13 CYS HA 1 1
8 1419 1 1 13 CYS HB2 H 0.370 -6.034 4.300 1.00 . A A . 13 CYS HB2 1 1
8 1420 1 1 13 CYS HB3 H 1.650 -5.657 5.448 1.00 . A A . 13 CYS HB3 1 1
8 1421 1 1 13 CYS N N 1.155 -4.774 2.257 1.00 . A A . 13 CYS N 1 1
8 1422 1 1 13 CYS O O 3.429 -6.390 3.589 1.00 . A A . 13 CYS O 1 1
8 1423 1 1 13 CYS OXT O 4.184 -4.324 3.612 1.00 . A A . 13 CYS OXT 1 1
8 1424 1 1 13 CYS SG S -0.130 -4.070 5.559 1.00 . A A . 13 CYS SG 1 1
9 1425 1 1 1 CYS C C -1.836 4.450 0.076 1.00 . A A . 1 CYS C 1 1
9 1426 1 1 1 CYS CA C -1.437 5.229 1.330 1.00 . A A . 1 CYS CA 1 1
9 1427 1 1 1 CYS CB C 0.071 5.484 1.314 1.00 . A A . 1 CYS CB 1 1
9 1428 1 1 1 CYS H1 H -1.347 3.572 2.597 1.00 . A A . 1 CYS H1 1 1
9 1429 1 1 1 CYS H2 H -2.849 4.349 2.591 1.00 . A A . 1 CYS H2 1 1
9 1430 1 1 1 CYS H3 H -1.541 5.045 3.406 1.00 . A A . 1 CYS H3 1 1
9 1431 1 1 1 CYS HA H -1.954 6.177 1.325 1.00 . A A . 1 CYS HA 1 1
9 1432 1 1 1 CYS HB2 H 0.584 4.557 1.113 1.00 . A A . 1 CYS HB2 1 1
9 1433 1 1 1 CYS HB3 H 0.300 6.192 0.531 1.00 . A A . 1 CYS HB3 1 1
9 1434 1 1 1 CYS N N -1.820 4.497 2.567 1.00 . A A . 1 CYS N 1 1
9 1435 1 1 1 CYS O O -2.202 5.049 -0.939 1.00 . A A . 1 CYS O 1 1
9 1436 1 1 1 CYS SG S 0.728 6.153 2.875 1.00 . A A . 1 CYS SG 1 1
9 1437 1 1 2 . C C -3.546 1.722 -0.838 1.00 . A A . 2 CY1 C 1 1
9 1438 1 1 2 . CA C -2.103 2.240 -0.964 1.00 . A A . 2 CY1 CA 1 1
9 1439 1 1 2 . CB C -1.112 1.109 -1.054 1.00 . A A . 2 CY1 CB 1 1
9 1440 1 1 2 . CD C -1.122 1.123 -3.864 1.00 . A A . 2 CY1 CD 1 1
9 1441 1 1 2 . CM C -3.703 3.855 -4.540 1.00 . A A . 2 CY1 CM 1 1
9 1442 1 1 2 . CZ C -2.443 3.008 -4.728 1.00 . A A . 2 CY1 CZ 1 1
9 1443 1 1 2 . H H -0.817 3.307 0.344 1.00 . A A . 2 CY1 H 1 1
9 1444 1 1 2 . HA H -2.025 2.813 -1.856 1.00 . A A . 2 CY1 HA 1 1
9 1445 1 1 2 . HB2 H -0.101 1.360 -0.875 1.00 . A A . 2 CY1 HB2 1 1
9 1446 1 1 2 . HB3 H -1.351 0.614 -0.060 1.00 . A A . 2 CY1 HB3 1 1
9 1447 1 1 2 . HD2 H -0.241 1.742 -3.685 1.00 . A A . 2 CY1 HD2 1 1
9 1448 1 1 2 . HD3 H -1.144 0.641 -4.838 1.00 . A A . 2 CY1 HD3 1 1
9 1449 1 1 2 . HE H -2.933 1.850 -3.092 1.00 . A A . 2 CY1 HE 1 1
9 1450 1 1 2 . HM1 H -3.521 4.866 -4.902 1.00 . A A . 2 CY1 HM1 1 1
9 1451 1 1 2 . HM2 H -3.965 3.888 -3.482 1.00 . A A . 2 CY1 HM2 1 1
9 1452 1 1 2 . HM3 H -4.525 3.408 -5.100 1.00 . A A . 2 CY1 HM3 1 1
9 1453 1 1 2 . N N -1.760 3.115 0.157 1.00 . A A . 2 CY1 N 1 1
9 1454 1 1 2 . NE N -2.279 2.029 -3.827 1.00 . A A . 2 CY1 NE 1 1
9 1455 1 1 2 . O O -4.454 2.281 -1.459 1.00 . A A . 2 CY1 O 1 1
9 1456 1 1 2 . OAC O -1.660 3.234 -5.649 1.00 . A A . 2 CY1 OAC 1 1
9 1457 1 1 2 . SG S -1.328 -0.038 -2.464 1.00 . A A . 2 CY1 SG 1 1
9 1458 1 1 3 GLU C C -5.237 -0.448 1.606 1.00 . A A . 3 GLU C 1 1
9 1459 1 1 3 GLU CA C -5.087 0.073 0.174 1.00 . A A . 3 GLU CA 1 1
9 1460 1 1 3 GLU CB C -5.369 -1.054 -0.837 1.00 . A A . 3 GLU CB 1 1
9 1461 1 1 3 GLU CD C -6.063 -1.668 -3.191 1.00 . A A . 3 GLU CD 1 1
9 1462 1 1 3 GLU CG C -5.640 -0.557 -2.250 1.00 . A A . 3 GLU CG 1 1
9 1463 1 1 3 GLU H H -3.049 0.110 -0.437 1.00 . A A . 3 GLU H 1 1
9 1464 1 1 3 GLU HA H -5.811 0.861 0.023 1.00 . A A . 3 GLU HA 1 1
9 1465 1 1 3 GLU HB2 H -4.512 -1.716 -0.870 1.00 . A A . 3 GLU HB2 1 1
9 1466 1 1 3 GLU HB3 H -6.237 -1.611 -0.503 1.00 . A A . 3 GLU HB3 1 1
9 1467 1 1 3 GLU HG2 H -6.428 0.181 -2.214 1.00 . A A . 3 GLU HG2 1 1
9 1468 1 1 3 GLU HG3 H -4.740 -0.101 -2.636 1.00 . A A . 3 GLU HG3 1 1
9 1469 1 1 3 GLU N N -3.755 0.659 -0.036 1.00 . A A . 3 GLU N 1 1
9 1470 1 1 3 GLU O O -6.180 -0.069 2.308 1.00 . A A . 3 GLU O 1 1
9 1471 1 1 3 GLU OE1 O -7.264 -2.011 -3.203 1.00 . A A . 3 GLU OE1 1 1
9 1472 1 1 3 GLU OE2 O -5.194 -2.193 -3.919 1.00 . A A . 3 GLU OE2 1 1
9 1473 1 1 4 LEU C C -2.989 -1.773 4.046 1.00 . A A . 4 LEU C 1 1
9 1474 1 1 4 LEU CA C -4.325 -1.880 3.385 1.00 . A A . 4 LEU CA 1 1
9 1475 1 1 4 LEU CB C -4.851 -3.327 3.390 1.00 . A A . 4 LEU CB 1 1
9 1476 1 1 4 LEU CD1 C -6.267 -3.944 1.416 1.00 . A A . 4 LEU CD1 1 1
9 1477 1 1 4 LEU CD2 C -7.028 -4.526 3.727 1.00 . A A . 4 LEU CD2 1 1
9 1478 1 1 4 LEU CG C -6.281 -3.512 2.873 1.00 . A A . 4 LEU CG 1 1
9 1479 1 1 4 LEU H H -3.589 -1.577 1.427 1.00 . A A . 4 LEU H 1 1
9 1480 1 1 4 LEU HA H -4.948 -1.273 3.964 1.00 . A A . 4 LEU HA 1 1
9 1481 1 1 4 LEU HB2 H -4.192 -3.928 2.781 1.00 . A A . 4 LEU HB2 1 1
9 1482 1 1 4 LEU HB3 H -4.810 -3.697 4.404 1.00 . A A . 4 LEU HB3 1 1
9 1483 1 1 4 LEU HD11 H -5.955 -4.976 1.350 1.00 . A A . 4 LEU HD11 1 1
9 1484 1 1 4 LEU HD12 H -5.575 -3.325 0.865 1.00 . A A . 4 LEU HD12 1 1
9 1485 1 1 4 LEU HD13 H -7.257 -3.839 0.998 1.00 . A A . 4 LEU HD13 1 1
9 1486 1 1 4 LEU HD21 H -6.507 -5.472 3.699 1.00 . A A . 4 LEU HD21 1 1
9 1487 1 1 4 LEU HD22 H -8.028 -4.654 3.341 1.00 . A A . 4 LEU HD22 1 1
9 1488 1 1 4 LEU HD23 H -7.077 -4.172 4.746 1.00 . A A . 4 LEU HD23 1 1
9 1489 1 1 4 LEU HG H -6.805 -2.569 2.937 1.00 . A A . 4 LEU HG 1 1
9 1490 1 1 4 LEU N N -4.304 -1.315 2.033 1.00 . A A . 4 LEU N 1 1
9 1491 1 1 4 LEU O O -2.584 -2.638 4.837 1.00 . A A . 4 LEU O 1 1
9 1492 1 1 5 CYS C C -0.612 0.970 3.702 1.00 . A A . 5 CYS C 1 1
9 1493 1 1 5 CYS CA C -1.059 -0.350 4.285 1.00 . A A . 5 CYS CA 1 1
9 1494 1 1 5 CYS CB C -0.099 -1.465 3.904 1.00 . A A . 5 CYS CB 1 1
9 1495 1 1 5 CYS H H -2.693 -0.034 3.110 1.00 . A A . 5 CYS H 1 1
9 1496 1 1 5 CYS HA H -1.158 -0.283 5.343 1.00 . A A . 5 CYS HA 1 1
9 1497 1 1 5 CYS HB2 H -0.690 -2.216 3.394 1.00 . A A . 5 CYS HB2 1 1
9 1498 1 1 5 CYS HB3 H 0.654 -1.073 3.228 1.00 . A A . 5 CYS HB3 1 1
9 1499 1 1 5 CYS N N -2.326 -0.659 3.749 1.00 . A A . 5 CYS N 1 1
9 1500 1 1 5 CYS O O -1.429 1.835 3.365 1.00 . A A . 5 CYS O 1 1
9 1501 1 1 5 CYS SG S 0.734 -2.256 5.319 1.00 . A A . 5 CYS SG 1 1
9 1502 1 1 6 CYS C C 2.614 1.863 2.361 1.00 . A A . 6 CYS C 1 1
9 1503 1 1 6 CYS CA C 1.307 2.263 3.008 1.00 . A A . 6 CYS CA 1 1
9 1504 1 1 6 CYS CB C 1.465 3.431 4.003 1.00 . A A . 6 CYS CB 1 1
9 1505 1 1 6 CYS H H 1.227 0.384 3.922 1.00 . A A . 6 CYS H 1 1
9 1506 1 1 6 CYS HA H 0.649 2.535 2.209 1.00 . A A . 6 CYS HA 1 1
9 1507 1 1 6 CYS HB2 H 0.487 3.728 4.353 1.00 . A A . 6 CYS HB2 1 1
9 1508 1 1 6 CYS HB3 H 2.054 3.097 4.845 1.00 . A A . 6 CYS HB3 1 1
9 1509 1 1 6 CYS N N 0.684 1.105 3.602 1.00 . A A . 6 CYS N 1 1
9 1510 1 1 6 CYS O O 3.720 2.235 2.776 1.00 . A A . 6 CYS O 1 1
9 1511 1 1 6 CYS SG S 2.274 4.913 3.312 1.00 . A A . 6 CYS SG 1 1
9 1512 1 1 7 ASN C C 3.672 1.326 -0.767 1.00 . A A . 7 ASN C 1 1
9 1513 1 1 7 ASN CA C 3.475 0.524 0.512 1.00 . A A . 7 ASN CA 1 1
9 1514 1 1 7 ASN CB C 3.086 -0.878 0.148 1.00 . A A . 7 ASN CB 1 1
9 1515 1 1 7 ASN CG C 3.392 -1.871 1.248 1.00 . A A . 7 ASN CG 1 1
9 1516 1 1 7 ASN H H 1.494 0.802 1.138 1.00 . A A . 7 ASN H 1 1
9 1517 1 1 7 ASN HA H 4.390 0.502 1.064 1.00 . A A . 7 ASN HA 1 1
9 1518 1 1 7 ASN HB2 H 2.019 -0.889 -0.048 1.00 . A A . 7 ASN HB2 1 1
9 1519 1 1 7 ASN HB3 H 3.622 -1.161 -0.741 1.00 . A A . 7 ASN HB3 1 1
9 1520 1 1 7 ASN HD21 H 5.114 -2.346 0.375 1.00 . A A . 7 ASN HD21 1 1
9 1521 1 1 7 ASN HD22 H 4.762 -3.182 1.845 1.00 . A A . 7 ASN HD22 1 1
9 1522 1 1 7 ASN N N 2.420 1.068 1.335 1.00 . A A . 7 ASN N 1 1
9 1523 1 1 7 ASN ND2 N 4.539 -2.533 1.146 1.00 . A A . 7 ASN ND2 1 1
9 1524 1 1 7 ASN O O 2.690 1.617 -1.459 1.00 . A A . 7 ASN O 1 1
9 1525 1 1 7 ASN OD1 O 2.609 -2.037 2.179 1.00 . A A . 7 ASN OD1 1 1
9 1526 1 1 8 PRO C C 5.159 1.524 -3.546 1.00 . A A . 8 PRO C 1 1
9 1527 1 1 8 PRO CA C 5.185 2.438 -2.352 1.00 . A A . 8 PRO CA 1 1
9 1528 1 1 8 PRO CB C 6.539 3.118 -2.127 1.00 . A A . 8 PRO CB 1 1
9 1529 1 1 8 PRO CD C 6.181 1.542 -0.319 1.00 . A A . 8 PRO CD 1 1
9 1530 1 1 8 PRO CG C 7.246 2.260 -1.123 1.00 . A A . 8 PRO CG 1 1
9 1531 1 1 8 PRO HA H 4.410 3.165 -2.532 1.00 . A A . 8 PRO HA 1 1
9 1532 1 1 8 PRO HB2 H 7.078 3.167 -3.067 1.00 . A A . 8 PRO HB2 1 1
9 1533 1 1 8 PRO HB3 H 6.387 4.113 -1.740 1.00 . A A . 8 PRO HB3 1 1
9 1534 1 1 8 PRO HD2 H 6.427 0.495 -0.219 1.00 . A A . 8 PRO HD2 1 1
9 1535 1 1 8 PRO HD3 H 6.079 1.997 0.656 1.00 . A A . 8 PRO HD3 1 1
9 1536 1 1 8 PRO HG2 H 7.875 1.545 -1.638 1.00 . A A . 8 PRO HG2 1 1
9 1537 1 1 8 PRO HG3 H 7.844 2.879 -0.471 1.00 . A A . 8 PRO HG3 1 1
9 1538 1 1 8 PRO N N 4.934 1.716 -1.113 1.00 . A A . 8 PRO N 1 1
9 1539 1 1 8 PRO O O 6.158 0.945 -3.992 1.00 . A A . 8 PRO O 1 1
9 1540 1 1 9 ALA C C 3.592 -0.901 -4.905 1.00 . A A . 9 ALA C 1 1
9 1541 1 1 9 ALA CA C 3.527 0.625 -5.148 1.00 . A A . 9 ALA CA 1 1
9 1542 1 1 9 ALA CB C 4.299 1.023 -6.414 1.00 . A A . 9 ALA CB 1 1
9 1543 1 1 9 ALA H H 3.226 1.900 -3.534 1.00 . A A . 9 ALA H 1 1
9 1544 1 1 9 ALA HA H 2.509 0.905 -5.295 1.00 . A A . 9 ALA HA 1 1
9 1545 1 1 9 ALA HB1 H 4.225 2.091 -6.560 1.00 . A A . 9 ALA HB1 1 1
9 1546 1 1 9 ALA HB2 H 3.878 0.514 -7.268 1.00 . A A . 9 ALA HB2 1 1
9 1547 1 1 9 ALA HB3 H 5.337 0.745 -6.305 1.00 . A A . 9 ALA HB3 1 1
9 1548 1 1 9 ALA N N 3.929 1.409 -4.008 1.00 . A A . 9 ALA N 1 1
9 1549 1 1 9 ALA O O 3.600 -1.678 -5.870 1.00 . A A . 9 ALA O 1 1
9 1550 1 1 10 . C C 2.294 -3.416 -3.358 1.00 . A A . 10 CY1 C 1 1
9 1551 1 1 10 . CA C 3.674 -2.790 -3.350 1.00 . A A . 10 CY1 CA 1 1
9 1552 1 1 10 . CB C 4.314 -3.063 -2.016 1.00 . A A . 10 CY1 CB 1 1
9 1553 1 1 10 . CD C 6.035 -5.050 -2.994 1.00 . A A . 10 CY1 CD 1 1
9 1554 1 1 10 . CM C 5.304 -4.789 -6.733 1.00 . A A . 10 CY1 CM 1 1
9 1555 1 1 10 . CZ C 6.118 -4.964 -5.449 1.00 . A A . 10 CY1 CZ 1 1
9 1556 1 1 10 . H H 3.516 -0.729 -2.848 1.00 . A A . 10 CY1 H 1 1
9 1557 1 1 10 . HA H 4.263 -3.242 -4.113 1.00 . A A . 10 CY1 HA 1 1
9 1558 1 1 10 . HB2 H 5.020 -2.371 -1.691 1.00 . A A . 10 CY1 HB2 1 1
9 1559 1 1 10 . HB3 H 3.437 -2.735 -1.352 1.00 . A A . 10 CY1 HB3 1 1
9 1560 1 1 10 . HD2 H 6.463 -6.048 -2.903 1.00 . A A . 10 CY1 HD2 1 1
9 1561 1 1 10 . HD3 H 6.826 -4.309 -2.880 1.00 . A A . 10 CY1 HD3 1 1
9 1562 1 1 10 . HE H 4.417 -4.766 -4.299 1.00 . A A . 10 CY1 HE 1 1
9 1563 1 1 10 . HM1 H 5.773 -5.348 -7.542 1.00 . A A . 10 CY1 HM1 1 1
9 1564 1 1 10 . HM2 H 5.262 -3.732 -6.996 1.00 . A A . 10 CY1 HM2 1 1
9 1565 1 1 10 . HM3 H 4.292 -5.160 -6.571 1.00 . A A . 10 CY1 HM3 1 1
9 1566 1 1 10 . N N 3.612 -1.345 -3.623 1.00 . A A . 10 CY1 N 1 1
9 1567 1 1 10 . NE N 5.407 -4.902 -4.315 1.00 . A A . 10 CY1 NE 1 1
9 1568 1 1 10 . O O 2.021 -4.375 -4.084 1.00 . A A . 10 CY1 O 1 1
9 1569 1 1 10 . OAC O 7.334 -5.146 -5.490 1.00 . A A . 10 CY1 OAC 1 1
9 1570 1 1 10 . SG S 4.781 -4.801 -1.684 1.00 . A A . 10 CY1 SG 1 1
9 1571 1 1 11 THR C C -0.047 -4.612 -1.727 1.00 . A A . 11 THR C 1 1
9 1572 1 1 11 THR CA C 0.060 -3.223 -2.302 1.00 . A A . 11 THR CA 1 1
9 1573 1 1 11 THR CB C -0.821 -3.050 -3.552 1.00 . A A . 11 THR CB 1 1
9 1574 1 1 11 THR CG2 C -2.306 -2.954 -3.203 1.00 . A A . 11 THR CG2 1 1
9 1575 1 1 11 THR H H 1.821 -2.160 -1.944 1.00 . A A . 11 THR H 1 1
9 1576 1 1 11 THR HA H -0.297 -2.586 -1.555 1.00 . A A . 11 THR HA 1 1
9 1577 1 1 11 THR HB H -0.662 -3.904 -4.152 1.00 . A A . 11 THR HB 1 1
9 1578 1 1 11 THR HG1 H 0.157 -2.137 -5.003 1.00 . A A . 11 THR HG1 1 1
9 1579 1 1 11 THR HG21 H -2.615 -3.855 -2.693 1.00 . A A . 11 THR HG21 1 1
9 1580 1 1 11 THR HG22 H -2.882 -2.838 -4.109 1.00 . A A . 11 THR HG22 1 1
9 1581 1 1 11 THR HG23 H -2.471 -2.102 -2.561 1.00 . A A . 11 THR HG23 1 1
9 1582 1 1 11 THR N N 1.434 -2.834 -2.520 1.00 . A A . 11 THR N 1 1
9 1583 1 1 11 THR O O -0.394 -5.587 -2.409 1.00 . A A . 11 THR O 1 1
9 1584 1 1 11 THR OG1 O -0.427 -1.883 -4.285 1.00 . A A . 11 THR OG1 1 1
9 1585 1 1 12 GLY C C 1.006 -5.954 1.539 1.00 . A A . 12 GLY C 1 1
9 1586 1 1 12 GLY CA C 0.214 -5.909 0.259 1.00 . A A . 12 GLY CA 1 1
9 1587 1 1 12 GLY H H 0.634 -3.856 -0.020 1.00 . A A . 12 GLY H 1 1
9 1588 1 1 12 GLY HA2 H -0.824 -6.116 0.480 1.00 . A A . 12 GLY HA2 1 1
9 1589 1 1 12 GLY HA3 H 0.590 -6.633 -0.389 1.00 . A A . 12 GLY HA3 1 1
9 1590 1 1 12 GLY N N 0.290 -4.668 -0.454 1.00 . A A . 12 GLY N 1 1
9 1591 1 1 12 GLY O O 1.506 -7.005 1.947 1.00 . A A . 12 GLY O 1 1
9 1592 1 1 13 CYS C C 3.280 -5.036 3.379 1.00 . A A . 13 CYS C 1 1
9 1593 1 1 13 CYS CA C 1.818 -4.561 3.429 1.00 . A A . 13 CYS CA 1 1
9 1594 1 1 13 CYS CB C 1.084 -5.197 4.624 1.00 . A A . 13 CYS CB 1 1
9 1595 1 1 13 CYS H H 0.651 -4.055 1.722 1.00 . A A . 13 CYS H 1 1
9 1596 1 1 13 CYS HA H 1.826 -3.489 3.579 1.00 . A A . 13 CYS HA 1 1
9 1597 1 1 13 CYS HB2 H 0.557 -6.077 4.287 1.00 . A A . 13 CYS HB2 1 1
9 1598 1 1 13 CYS HB3 H 1.809 -5.483 5.372 1.00 . A A . 13 CYS HB3 1 1
9 1599 1 1 13 CYS N N 1.096 -4.796 2.155 1.00 . A A . 13 CYS N 1 1
9 1600 1 1 13 CYS O O 3.515 -6.265 3.368 1.00 . A A . 13 CYS O 1 1
9 1601 1 1 13 CYS OXT O 4.177 -4.167 3.356 1.00 . A A . 13 CYS OXT 1 1
9 1602 1 1 13 CYS SG S -0.131 -4.093 5.418 1.00 . A A . 13 CYS SG 1 1
10 1603 1 1 1 CYS C C -1.804 4.237 -0.479 1.00 . A A . 1 CYS C 1 1
10 1604 1 1 1 CYS CA C -1.395 5.441 0.370 1.00 . A A . 1 CYS CA 1 1
10 1605 1 1 1 CYS CB C 0.113 5.371 0.662 1.00 . A A . 1 CYS CB 1 1
10 1606 1 1 1 CYS H1 H -1.891 6.309 2.203 1.00 . A A . 1 CYS H1 1 1
10 1607 1 1 1 CYS H2 H -2.007 4.622 2.191 1.00 . A A . 1 CYS H2 1 1
10 1608 1 1 1 CYS H3 H -3.192 5.555 1.427 1.00 . A A . 1 CYS H3 1 1
10 1609 1 1 1 CYS HA H -1.606 6.343 -0.186 1.00 . A A . 1 CYS HA 1 1
10 1610 1 1 1 CYS HB2 H 0.420 4.337 0.663 1.00 . A A . 1 CYS HB2 1 1
10 1611 1 1 1 CYS HB3 H 0.647 5.894 -0.118 1.00 . A A . 1 CYS HB3 1 1
10 1612 1 1 1 CYS N N -2.176 5.485 1.636 1.00 . A A . 1 CYS N 1 1
10 1613 1 1 1 CYS O O -1.993 4.361 -1.691 1.00 . A A . 1 CYS O 1 1
10 1614 1 1 1 CYS SG S 0.621 6.092 2.259 1.00 . A A . 1 CYS SG 1 1
10 1615 1 1 2 . C C -3.699 1.352 -0.003 1.00 . A A . 2 CY1 C 1 1
10 1616 1 1 2 . CA C -2.313 1.822 -0.478 1.00 . A A . 2 CY1 CA 1 1
10 1617 1 1 2 . CB C -1.256 0.792 -0.207 1.00 . A A . 2 CY1 CB 1 1
10 1618 1 1 2 . CD C 0.305 1.193 -2.519 1.00 . A A . 2 CY1 CD 1 1
10 1619 1 1 2 . CM C -2.213 3.379 -4.378 1.00 . A A . 2 CY1 CM 1 1
10 1620 1 1 2 . CZ C -1.134 2.317 -4.162 1.00 . A A . 2 CY1 CZ 1 1
10 1621 1 1 2 . H H -1.050 3.457 0.009 1.00 . A A . 2 CY1 H 1 1
10 1622 1 1 2 . HA H -2.342 1.989 -1.524 1.00 . A A . 2 CY1 HA 1 1
10 1623 1 1 2 . HB2 H -1.310 0.354 0.727 1.00 . A A . 2 CY1 HB2 1 1
10 1624 1 1 2 . HB3 H -1.675 -0.075 -0.837 1.00 . A A . 2 CY1 HB3 1 1
10 1625 1 1 2 . HD2 H 1.239 1.549 -2.957 1.00 . A A . 2 CY1 HD2 1 1
10 1626 1 1 2 . HD3 H -0.034 0.233 -2.902 1.00 . A A . 2 CY1 HD3 1 1
10 1627 1 1 2 . HE H -1.066 2.737 -2.143 1.00 . A A . 2 CY1 HE 1 1
10 1628 1 1 2 . HM1 H -2.796 3.131 -5.266 1.00 . A A . 2 CY1 HM1 1 1
10 1629 1 1 2 . HM2 H -1.745 4.354 -4.510 1.00 . A A . 2 CY1 HM2 1 1
10 1630 1 1 2 . HM3 H -2.870 3.409 -3.509 1.00 . A A . 2 CY1 HM3 1 1
10 1631 1 1 2 . N N -1.938 3.076 0.177 1.00 . A A . 2 CY1 N 1 1
10 1632 1 1 2 . NE N -0.726 2.171 -2.894 1.00 . A A . 2 CY1 NE 1 1
10 1633 1 1 2 . O O -4.482 2.157 0.510 1.00 . A A . 2 CY1 O 1 1
10 1634 1 1 2 . OAC O -0.693 1.661 -5.104 1.00 . A A . 2 CY1 OAC 1 1
10 1635 1 1 2 . SG S 0.448 1.246 -0.695 1.00 . A A . 2 CY1 SG 1 1
10 1636 1 1 3 GLU C C -5.297 -0.968 1.687 1.00 . A A . 3 GLU C 1 1
10 1637 1 1 3 GLU CA C -5.290 -0.524 0.218 1.00 . A A . 3 GLU CA 1 1
10 1638 1 1 3 GLU CB C -5.660 -1.706 -0.690 1.00 . A A . 3 GLU CB 1 1
10 1639 1 1 3 GLU CD C -6.435 -2.483 -2.968 1.00 . A A . 3 GLU CD 1 1
10 1640 1 1 3 GLU CG C -6.037 -1.299 -2.108 1.00 . A A . 3 GLU CG 1 1
10 1641 1 1 3 GLU H H -3.446 -0.420 -0.838 1.00 . A A . 3 GLU H 1 1
10 1642 1 1 3 GLU HA H -6.036 0.247 0.095 1.00 . A A . 3 GLU HA 1 1
10 1643 1 1 3 GLU HB2 H -4.814 -2.381 -0.746 1.00 . A A . 3 GLU HB2 1 1
10 1644 1 1 3 GLU HB3 H -6.505 -2.226 -0.254 1.00 . A A . 3 GLU HB3 1 1
10 1645 1 1 3 GLU HG2 H -6.869 -0.612 -2.063 1.00 . A A . 3 GLU HG2 1 1
10 1646 1 1 3 GLU HG3 H -5.191 -0.808 -2.565 1.00 . A A . 3 GLU HG3 1 1
10 1647 1 1 3 GLU N N -3.998 0.052 -0.180 1.00 . A A . 3 GLU N 1 1
10 1648 1 1 3 GLU O O -6.259 -0.688 2.408 1.00 . A A . 3 GLU O 1 1
10 1649 1 1 3 GLU OE1 O -5.545 -3.068 -3.621 1.00 . A A . 3 GLU OE1 1 1
10 1650 1 1 3 GLU OE2 O -7.636 -2.826 -2.988 1.00 . A A . 3 GLU OE2 1 1
10 1651 1 1 4 LEU C C -2.796 -1.866 4.131 1.00 . A A . 4 LEU C 1 1
10 1652 1 1 4 LEU CA C -4.132 -2.131 3.513 1.00 . A A . 4 LEU CA 1 1
10 1653 1 1 4 LEU CB C -4.520 -3.620 3.626 1.00 . A A . 4 LEU CB 1 1
10 1654 1 1 4 LEU CD1 C -5.998 -4.364 1.736 1.00 . A A . 4 LEU CD1 1 1
10 1655 1 1 4 LEU CD2 C -6.502 -5.088 4.076 1.00 . A A . 4 LEU CD2 1 1
10 1656 1 1 4 LEU CG C -5.951 -3.969 3.205 1.00 . A A . 4 LEU CG 1 1
10 1657 1 1 4 LEU H H -3.494 -1.839 1.514 1.00 . A A . 4 LEU H 1 1
10 1658 1 1 4 LEU HA H -4.791 -1.555 4.082 1.00 . A A . 4 LEU HA 1 1
10 1659 1 1 4 LEU HB2 H -3.839 -4.193 3.013 1.00 . A A . 4 LEU HB2 1 1
10 1660 1 1 4 LEU HB3 H -4.389 -3.924 4.654 1.00 . A A . 4 LEU HB3 1 1
10 1661 1 1 4 LEU HD11 H -5.557 -5.342 1.612 1.00 . A A . 4 LEU HD11 1 1
10 1662 1 1 4 LEU HD12 H -5.442 -3.645 1.154 1.00 . A A . 4 LEU HD12 1 1
10 1663 1 1 4 LEU HD13 H -7.024 -4.386 1.401 1.00 . A A . 4 LEU HD13 1 1
10 1664 1 1 4 LEU HD21 H -5.867 -5.958 3.990 1.00 . A A . 4 LEU HD21 1 1
10 1665 1 1 4 LEU HD22 H -7.501 -5.338 3.752 1.00 . A A . 4 LEU HD22 1 1
10 1666 1 1 4 LEU HD23 H -6.529 -4.763 5.106 1.00 . A A . 4 LEU HD23 1 1
10 1667 1 1 4 LEU HG H -6.580 -3.101 3.337 1.00 . A A . 4 LEU HG 1 1
10 1668 1 1 4 LEU N N -4.227 -1.655 2.127 1.00 . A A . 4 LEU N 1 1
10 1669 1 1 4 LEU O O -2.346 -2.607 5.015 1.00 . A A . 4 LEU O 1 1
10 1670 1 1 5 CYS C C -0.535 0.932 3.513 1.00 . A A . 5 CYS C 1 1
10 1671 1 1 5 CYS CA C -0.932 -0.348 4.210 1.00 . A A . 5 CYS CA 1 1
10 1672 1 1 5 CYS CB C 0.077 -1.450 3.936 1.00 . A A . 5 CYS CB 1 1
10 1673 1 1 5 CYS H H -2.576 -0.228 3.005 1.00 . A A . 5 CYS H 1 1
10 1674 1 1 5 CYS HA H -1.040 -0.191 5.258 1.00 . A A . 5 CYS HA 1 1
10 1675 1 1 5 CYS HB2 H -0.480 -2.267 3.499 1.00 . A A . 5 CYS HB2 1 1
10 1676 1 1 5 CYS HB3 H 0.814 -1.088 3.225 1.00 . A A . 5 CYS HB3 1 1
10 1677 1 1 5 CYS N N -2.185 -0.762 3.707 1.00 . A A . 5 CYS N 1 1
10 1678 1 1 5 CYS O O -1.384 1.724 3.087 1.00 . A A . 5 CYS O 1 1
10 1679 1 1 5 CYS SG S 0.941 -2.074 5.415 1.00 . A A . 5 CYS SG 1 1
10 1680 1 1 6 CYS C C 2.666 1.857 2.106 1.00 . A A . 6 CYS C 1 1
10 1681 1 1 6 CYS CA C 1.336 2.247 2.729 1.00 . A A . 6 CYS CA 1 1
10 1682 1 1 6 CYS CB C 1.443 3.498 3.627 1.00 . A A . 6 CYS CB 1 1
10 1683 1 1 6 CYS H H 1.326 0.450 3.802 1.00 . A A . 6 CYS H 1 1
10 1684 1 1 6 CYS HA H 0.664 2.430 1.918 1.00 . A A . 6 CYS HA 1 1
10 1685 1 1 6 CYS HB2 H 0.453 3.786 3.947 1.00 . A A . 6 CYS HB2 1 1
10 1686 1 1 6 CYS HB3 H 2.038 3.257 4.496 1.00 . A A . 6 CYS HB3 1 1
10 1687 1 1 6 CYS N N 0.757 1.117 3.416 1.00 . A A . 6 CYS N 1 1
10 1688 1 1 6 CYS O O 3.748 2.335 2.469 1.00 . A A . 6 CYS O 1 1
10 1689 1 1 6 CYS SG S 2.203 4.948 2.819 1.00 . A A . 6 CYS SG 1 1
10 1690 1 1 7 ASN C C 3.911 1.238 -0.861 1.00 . A A . 7 ASN C 1 1
10 1691 1 1 7 ASN CA C 3.608 0.396 0.372 1.00 . A A . 7 ASN CA 1 1
10 1692 1 1 7 ASN CB C 3.186 -0.973 -0.085 1.00 . A A . 7 ASN CB 1 1
10 1693 1 1 7 ASN CG C 3.642 -2.067 0.855 1.00 . A A . 7 ASN CG 1 1
10 1694 1 1 7 ASN H H 1.615 0.608 0.999 1.00 . A A . 7 ASN H 1 1
10 1695 1 1 7 ASN HA H 4.486 0.312 0.974 1.00 . A A . 7 ASN HA 1 1
10 1696 1 1 7 ASN HB2 H 2.101 -0.989 -0.142 1.00 . A A . 7 ASN HB2 1 1
10 1697 1 1 7 ASN HB3 H 3.604 -1.153 -1.064 1.00 . A A . 7 ASN HB3 1 1
10 1698 1 1 7 ASN HD21 H 2.116 -1.686 2.067 1.00 . A A . 7 ASN HD21 1 1
10 1699 1 1 7 ASN HD22 H 3.171 -2.960 2.565 1.00 . A A . 7 ASN HD22 1 1
10 1700 1 1 7 ASN N N 2.521 0.950 1.160 1.00 . A A . 7 ASN N 1 1
10 1701 1 1 7 ASN ND2 N 2.902 -2.256 1.938 1.00 . A A . 7 ASN ND2 1 1
10 1702 1 1 7 ASN O O 2.979 1.754 -1.485 1.00 . A A . 7 ASN O 1 1
10 1703 1 1 7 ASN OD1 O 4.655 -2.725 0.618 1.00 . A A . 7 ASN OD1 1 1
10 1704 1 1 8 PRO C C 5.274 1.348 -3.686 1.00 . A A . 8 PRO C 1 1
10 1705 1 1 8 PRO CA C 5.549 2.156 -2.450 1.00 . A A . 8 PRO CA 1 1
10 1706 1 1 8 PRO CB C 7.024 2.530 -2.269 1.00 . A A . 8 PRO CB 1 1
10 1707 1 1 8 PRO CD C 6.431 0.950 -0.525 1.00 . A A . 8 PRO CD 1 1
10 1708 1 1 8 PRO CG C 7.583 1.484 -1.354 1.00 . A A . 8 PRO CG 1 1
10 1709 1 1 8 PRO HA H 4.929 3.033 -2.539 1.00 . A A . 8 PRO HA 1 1
10 1710 1 1 8 PRO HB2 H 7.516 2.527 -3.235 1.00 . A A . 8 PRO HB2 1 1
10 1711 1 1 8 PRO HB3 H 7.099 3.508 -1.823 1.00 . A A . 8 PRO HB3 1 1
10 1712 1 1 8 PRO HD2 H 6.465 -0.129 -0.484 1.00 . A A . 8 PRO HD2 1 1
10 1713 1 1 8 PRO HD3 H 6.465 1.364 0.472 1.00 . A A . 8 PRO HD3 1 1
10 1714 1 1 8 PRO HG2 H 8.023 0.688 -1.941 1.00 . A A . 8 PRO HG2 1 1
10 1715 1 1 8 PRO HG3 H 8.327 1.924 -0.707 1.00 . A A . 8 PRO HG3 1 1
10 1716 1 1 8 PRO N N 5.212 1.410 -1.244 1.00 . A A . 8 PRO N 1 1
10 1717 1 1 8 PRO O O 6.123 0.661 -4.265 1.00 . A A . 8 PRO O 1 1
10 1718 1 1 9 ALA C C 3.299 -0.713 -5.015 1.00 . A A . 9 ALA C 1 1
10 1719 1 1 9 ALA CA C 3.381 0.825 -5.155 1.00 . A A . 9 ALA CA 1 1
10 1720 1 1 9 ALA CB C 4.041 1.237 -6.478 1.00 . A A . 9 ALA CB 1 1
10 1721 1 1 9 ALA H H 3.439 2.025 -3.461 1.00 . A A . 9 ALA H 1 1
10 1722 1 1 9 ALA HA H 2.394 1.227 -5.148 1.00 . A A . 9 ALA HA 1 1
10 1723 1 1 9 ALA HB1 H 4.080 2.315 -6.541 1.00 . A A . 9 ALA HB1 1 1
10 1724 1 1 9 ALA HB2 H 3.465 0.849 -7.304 1.00 . A A . 9 ALA HB2 1 1
10 1725 1 1 9 ALA HB3 H 5.044 0.837 -6.520 1.00 . A A . 9 ALA HB3 1 1
10 1726 1 1 9 ALA N N 4.006 1.460 -4.027 1.00 . A A . 9 ALA N 1 1
10 1727 1 1 9 ALA O O 3.081 -1.416 -6.011 1.00 . A A . 9 ALA O 1 1
10 1728 1 1 10 . C C 1.994 -3.158 -3.231 1.00 . A A . 10 CY1 C 1 1
10 1729 1 1 10 . CA C 3.396 -2.693 -3.573 1.00 . A A . 10 CY1 CA 1 1
10 1730 1 1 10 . CB C 4.345 -3.104 -2.467 1.00 . A A . 10 CY1 CB 1 1
10 1731 1 1 10 . CD C 3.289 -5.649 -1.860 1.00 . A A . 10 CY1 CD 1 1
10 1732 1 1 10 . CM C 2.989 -9.335 -0.908 1.00 . A A . 10 CY1 CM 1 1
10 1733 1 1 10 . CZ C 2.548 -7.903 -1.214 1.00 . A A . 10 CY1 CZ 1 1
10 1734 1 1 10 . H H 3.453 -0.656 -2.969 1.00 . A A . 10 CY1 H 1 1
10 1735 1 1 10 . HA H 3.700 -3.162 -4.487 1.00 . A A . 10 CY1 HA 1 1
10 1736 1 1 10 . HB2 H 5.126 -2.440 -2.259 1.00 . A A . 10 CY1 HB2 1 1
10 1737 1 1 10 . HB3 H 3.672 -2.845 -1.576 1.00 . A A . 10 CY1 HB3 1 1
10 1738 1 1 10 . HD2 H 2.542 -5.586 -2.652 1.00 . A A . 10 CY1 HD2 1 1
10 1739 1 1 10 . HD3 H 2.920 -5.131 -0.975 1.00 . A A . 10 CY1 HD3 1 1
10 1740 1 1 10 . HE H 4.499 -7.340 -1.579 1.00 . A A . 10 CY1 HE 1 1
10 1741 1 1 10 . HM1 H 2.195 -10.029 -1.186 1.00 . A A . 10 CY1 HM1 1 1
10 1742 1 1 10 . HM2 H 3.202 -9.431 0.157 1.00 . A A . 10 CY1 HM2 1 1
10 1743 1 1 10 . HM3 H 3.890 -9.565 -1.478 1.00 . A A . 10 CY1 HM3 1 1
10 1744 1 1 10 . N N 3.448 -1.238 -3.776 1.00 . A A . 10 CY1 N 1 1
10 1745 1 1 10 . NE N 3.539 -7.061 -1.538 1.00 . A A . 10 CY1 NE 1 1
10 1746 1 1 10 . O O 1.484 -4.133 -3.787 1.00 . A A . 10 CY1 O 1 1
10 1747 1 1 10 . OAC O 1.361 -7.582 -1.169 1.00 . A A . 10 CY1 OAC 1 1
10 1748 1 1 10 . SG S 4.844 -4.864 -2.419 1.00 . A A . 10 CY1 SG 1 1
10 1749 1 1 11 THR C C -0.165 -4.052 -1.280 1.00 . A A . 11 THR C 1 1
10 1750 1 1 11 THR CA C 0.057 -2.631 -1.745 1.00 . A A . 11 THR CA 1 1
10 1751 1 1 11 THR CB C -1.116 -2.096 -2.640 1.00 . A A . 11 THR CB 1 1
10 1752 1 1 11 THR CG2 C -1.187 -2.761 -4.020 1.00 . A A . 11 THR CG2 1 1
10 1753 1 1 11 THR H H 2.105 -2.099 -1.716 1.00 . A A . 11 THR H 1 1
10 1754 1 1 11 THR HA H 0.063 -2.063 -0.842 1.00 . A A . 11 THR HA 1 1
10 1755 1 1 11 THR HB H -0.960 -1.038 -2.785 1.00 . A A . 11 THR HB 1 1
10 1756 1 1 11 THR HG1 H -2.789 -1.421 -1.834 1.00 . A A . 11 THR HG1 1 1
10 1757 1 1 11 THR HG21 H -0.267 -2.579 -4.554 1.00 . A A . 11 THR HG21 1 1
10 1758 1 1 11 THR HG22 H -2.014 -2.347 -4.577 1.00 . A A . 11 THR HG22 1 1
10 1759 1 1 11 THR HG23 H -1.330 -3.825 -3.901 1.00 . A A . 11 THR HG23 1 1
10 1760 1 1 11 THR N N 1.387 -2.414 -2.304 1.00 . A A . 11 THR N 1 1
10 1761 1 1 11 THR O O -0.765 -4.891 -1.965 1.00 . A A . 11 THR O 1 1
10 1762 1 1 11 THR OG1 O -2.372 -2.276 -1.969 1.00 . A A . 11 THR OG1 1 1
10 1763 1 1 12 GLY C C 1.019 -5.753 1.793 1.00 . A A . 12 GLY C 1 1
10 1764 1 1 12 GLY CA C 0.236 -5.579 0.517 1.00 . A A . 12 GLY CA 1 1
10 1765 1 1 12 GLY H H 0.892 -3.581 0.336 1.00 . A A . 12 GLY H 1 1
10 1766 1 1 12 GLY HA2 H -0.810 -5.758 0.718 1.00 . A A . 12 GLY HA2 1 1
10 1767 1 1 12 GLY HA3 H 0.589 -6.263 -0.185 1.00 . A A . 12 GLY HA3 1 1
10 1768 1 1 12 GLY N N 0.367 -4.289 -0.095 1.00 . A A . 12 GLY N 1 1
10 1769 1 1 12 GLY O O 1.425 -6.860 2.152 1.00 . A A . 12 GLY O 1 1
10 1770 1 1 13 CYS C C 3.345 -5.135 3.679 1.00 . A A . 13 CYS C 1 1
10 1771 1 1 13 CYS CA C 1.941 -4.511 3.739 1.00 . A A . 13 CYS CA 1 1
10 1772 1 1 13 CYS CB C 1.141 -5.091 4.919 1.00 . A A . 13 CYS CB 1 1
10 1773 1 1 13 CYS H H 0.821 -3.846 2.060 1.00 . A A . 13 CYS H 1 1
10 1774 1 1 13 CYS HA H 2.061 -3.449 3.913 1.00 . A A . 13 CYS HA 1 1
10 1775 1 1 13 CYS HB2 H 0.511 -5.890 4.558 1.00 . A A . 13 CYS HB2 1 1
10 1776 1 1 13 CYS HB3 H 1.831 -5.487 5.650 1.00 . A A . 13 CYS HB3 1 1
10 1777 1 1 13 CYS N N 1.204 -4.635 2.459 1.00 . A A . 13 CYS N 1 1
10 1778 1 1 13 CYS O O 4.326 -4.365 3.614 1.00 . A A . 13 CYS O 1 1
10 1779 1 1 13 CYS OXT O 3.451 -6.383 3.692 1.00 . A A . 13 CYS OXT 1 1
10 1780 1 1 13 CYS SG S 0.068 -3.880 5.765 1.00 . A A . 13 CYS SG 1 1
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