NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
654266 |
7css   |
cing | 4-filtered-FRED | STAR | entry | full | 47 |
data_FRED_restraints_with_modified_coordinates_PDB_code_7css
# This FRED archive file contains, for PDB entry <7css>:
#
# - 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_7css
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 7css
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 1312.54
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_CYS_GLU_LEU_CYS_CYS_ASN_PRO_ALA_CYS_THR_GLY_CYS A . 1 1
stop_
save_
save_CYS_CYS_GLU_LEU_CYS_CYS_ASN_PRO_ALA_CYS_THR_GLY_CYS
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "CYS CYS GLU LEU CYS CYS ASN PRO ALA CYS THR GLY CYS"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code CCELCCNPACTGC
_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 CYS . 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 CYS . 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
CYS 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
CYS 10 10 1 1
THR 11 11 1 1
GLY 12 12 1 1
CYS 13 13 1 1
stop_
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
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 5 CYS HA . 5 . HA 1 1
2 1 1 1 1 1 CYS QB . 1 . HB 1 1
2 1 2 1 1 2 CYS HA . 2 . HA 1 1
3 1 1 1 1 3 GLU HA . 3 . HA 1 1
3 1 2 1 1 4 LEU H . 4 . HN 1 1
4 1 1 1 1 4 LEU H . 4 . HN 1 1
4 1 2 1 1 4 LEU HB2 . 4 . HB2 1 1
5 1 1 1 1 4 LEU H . 4 . HN 1 1
5 1 2 1 1 4 LEU HG . 4 . HG 1 1
6 1 1 1 1 4 LEU H . 4 . HN 1 1
6 1 2 1 1 5 CYS H . 5 . HN 1 1
7 1 1 1 1 4 LEU H . 4 . HN 1 1
7 1 2 1 1 8 PRO QB . 8 . HB1 1 1
8 1 1 1 1 4 LEU HA . 4 . HA 1 1
8 1 2 1 1 5 CYS H . 5 . HN 1 1
9 1 1 1 1 4 LEU HB2 . 4 . HB2 1 1
9 1 2 1 1 5 CYS H . 5 . HN 1 1
10 1 1 1 1 4 LEU HB3 . 4 . HB1 1 1
10 1 2 1 1 5 CYS H . 5 . HN 1 1
11 1 1 1 1 5 CYS H . 5 . HN 1 1
11 1 2 1 1 13 CYS HA . 13 . HA 1 1
12 1 1 1 1 5 CYS H . 5 . HN 1 1
12 1 2 1 1 13 CYS QB . 13 . HB 1 1
13 1 1 1 1 5 CYS HA . 5 . HA 1 1
13 1 2 1 1 6 CYS HA . 6 . HA 1 1
14 1 1 1 1 5 CYS HA . 5 . HA 1 1
14 1 2 1 1 12 GLY H . 12 . HN 1 1
15 1 1 1 1 5 CYS HB2 . 5 . HB1 1 1
15 1 2 1 1 12 GLY H . 12 . HN 1 1
16 1 1 1 1 5 CYS HB3 . 5 . HB2 1 1
16 1 2 1 1 12 GLY H . 12 . HN 1 1
17 1 1 1 1 6 CYS H . 6 . HN 1 1
17 1 2 1 1 6 CYS HB2 . 6 . HB2 1 1
18 1 1 1 1 6 CYS H . 6 . HN 1 1
18 1 2 1 1 6 CYS HB3 . 6 . HB1 1 1
19 1 1 1 1 6 CYS H . 6 . HN 1 1
19 1 2 1 1 7 ASN H . 7 . HN 1 1
20 1 1 1 1 6 CYS QB . 6 . HB 1 1
20 1 2 1 1 7 ASN QB . 7 . HB2 1 1
21 1 1 1 1 6 CYS HB2 . 6 . HB2 1 1
21 1 2 1 1 7 ASN QB . 7 . HB1 1 1
22 1 1 1 1 7 ASN H . 7 . HN 1 1
22 1 2 1 1 7 ASN QB . 7 . HB1 1 1
23 1 1 1 1 7 ASN H . 7 . HN 1 1
23 1 2 1 1 10 CYS HA . 10 . HA 1 1
24 1 1 1 1 7 ASN HA . 7 . HA 1 1
24 1 2 1 1 8 PRO HD3 . 8 . HD2 1 1
25 1 1 1 1 7 ASN QB . 7 . HB1 1 1
25 1 2 1 1 7 ASN HD22 . 7 . HD22 1 1
26 1 1 1 1 7 ASN QB . 7 . HB2 1 1
26 1 2 1 1 8 PRO HD3 . 8 . HD1 1 1
27 1 1 1 1 7 ASN QB . 7 . HB2 1 1
27 1 2 1 1 10 CYS H . 10 . HN 1 1
28 1 1 1 1 7 ASN QB . 7 . HB1 1 1
28 1 2 1 1 11 THR H . 11 . HN 1 1
29 1 1 1 1 7 ASN HD21 . 7 . HD21 1 1
29 1 2 1 1 12 GLY HA3 . 12 . HA2 1 1
30 1 1 1 1 7 ASN HD22 . 7 . HD22 1 1
30 1 2 1 1 12 GLY HA3 . 12 . HA2 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 10 CYS H . 10 . HN 1 1
34 1 1 1 1 9 ALA H . 9 . HN 1 1
34 1 2 1 1 10 CYS H . 10 . HN 1 1
35 1 1 1 1 9 ALA HA . 9 . HA 1 1
35 1 2 1 1 10 CYS H . 10 . HN 1 1
36 1 1 1 1 9 ALA MB . 9 . HB 1 1
36 1 2 1 1 10 CYS H . 10 . HN 1 1
37 1 1 1 1 10 CYS H . 10 . HN 1 1
37 1 2 1 1 10 CYS HA . 10 . HA 1 1
38 1 1 1 1 10 CYS H . 10 . HN 1 1
38 1 2 1 1 10 CYS QB . 10 . HB 1 1
39 1 1 1 1 10 CYS H . 10 . HN 1 1
39 1 2 1 1 11 THR H . 11 . HN 1 1
40 1 1 1 1 10 CYS HA . 10 . HA 1 1
40 1 2 1 1 11 THR H . 11 . HN 1 1
41 1 1 1 1 11 THR H . 11 . HN 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 12 GLY H . 12 . HN 1 1
43 1 1 1 1 12 GLY H . 12 . HN 1 1
43 1 2 1 1 12 GLY HA2 . 12 . HA1 1 1
44 1 1 1 1 12 GLY H . 12 . HN 1 1
44 1 2 1 1 13 CYS H . 13 . HN 1 1
45 1 1 1 1 12 GLY HA2 . 12 . HA1 1 1
45 1 2 1 1 13 CYS H . 13 . HN 1 1
46 1 1 1 1 12 GLY HA3 . 12 . HA2 1 1
46 1 2 1 1 13 CYS H . 13 . HN 1 1
47 1 1 1 1 13 CYS H . 13 . HN 1 1
47 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 . . . . . 5.0 1.8 5.0 1 1
2 1 . . . . . 5.0 1.8 5.0 1 1
3 1 . . . . . 3.6 1.8 3.6 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 . . . . . 3.6 1.8 3.6 1 1
9 1 . . . . . 5.0 1.8 5.0 1 1
10 1 . . . . . 5.0 1.8 5.0 1 1
11 1 . . . . . 5.0 1.8 5.0 1 1
12 1 . . . . . 5.0 1.8 5.0 1 1
13 1 . . . . . 5.0 1.8 5.0 1 1
14 1 . . . . . 5.0 1.8 5.0 1 1
15 1 . . . . . 3.6 1.8 3.6 1 1
16 1 . . . . . 3.6 1.8 3.6 1 1
17 1 . . . . . 3.6 1.8 3.6 1 1
18 1 . . . . . 3.6 1.8 3.6 1 1
19 1 . . . . . 3.6 1.8 3.6 1 1
20 1 . . . . . 5.0 1.8 5.0 1 1
21 1 . . . . . 5.0 1.8 5.0 1 1
22 1 . . . . . 2.8 1.8 2.8 1 1
23 1 . . . . . 5.0 1.8 5.0 1 1
24 1 . . . . . 3.6 1.8 3.6 1 1
25 1 . . . . . 3.6 1.8 3.6 1 1
26 1 . . . . . 5.0 1.8 5.0 1 1
27 1 . . . . . 5.0 1.8 5.0 1 1
28 1 . . . . . 5.0 1.8 5.0 1 1
29 1 . . . . . 5.0 1.8 5.0 1 1
30 1 . . . . . 5.0 1.8 5.0 1 1
31 1 . . . . . 2.8 1.8 2.8 1 1
32 1 . . . . . 5.0 1.8 5.0 1 1
33 1 . . . . . 5.0 1.8 5.0 1 1
34 1 . . . . . 5.0 1.8 5.0 1 1
35 1 . . . . . 3.6 1.8 3.6 1 1
36 1 . . . . . 5.0 1.8 5.0 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 . . . . . 3.6 1.8 3.6 1 1
42 1 . . . . . 2.8 1.8 2.8 1 1
43 1 . . . . . 2.8 1.8 2.8 1 1
44 1 . . . . . 5.0 1.8 5.0 1 1
45 1 . . . . . 3.6 1.8 3.6 1 1
46 1 . . . . . 5.0 1.8 5.0 1 1
47 1 . . . . . 3.6 1.8 3.6 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 -0.888 2.100 -4.717 1.00 . A A . 1 CYS C 1 1
1 2 1 1 1 CYS CA C -0.810 3.093 -3.563 1.00 . A A . 1 CYS CA 1 1
1 3 1 1 1 CYS CB C -2.175 3.756 -3.357 1.00 . A A . 1 CYS CB 1 1
1 4 1 1 1 CYS H1 H 0.270 4.796 -3.030 1.00 . A A . 1 CYS H1 1 1
1 5 1 1 1 CYS H2 H -0.001 4.649 -4.693 1.00 . A A . 1 CYS H2 1 1
1 6 1 1 1 CYS H3 H 1.157 3.676 -3.936 1.00 . A A . 1 CYS H3 1 1
1 7 1 1 1 CYS HA H -0.538 2.559 -2.664 1.00 . A A . 1 CYS HA 1 1
1 8 1 1 1 CYS HB2 H -2.499 4.191 -4.291 1.00 . A A . 1 CYS HB2 1 1
1 9 1 1 1 CYS HB3 H -2.888 3.006 -3.049 1.00 . A A . 1 CYS HB3 1 1
1 10 1 1 1 CYS N N 0.226 4.125 -3.824 1.00 . A A . 1 CYS N 1 1
1 11 1 1 1 CYS O O -0.939 2.500 -5.884 1.00 . A A . 1 CYS O 1 1
1 12 1 1 1 CYS SG S -2.180 5.078 -2.102 1.00 . A A . 1 CYS SG 1 1
1 13 1 1 2 CYS C C -2.413 -0.752 -5.543 1.00 . A A . 2 CYS C 1 1
1 14 1 1 2 CYS CA C -0.971 -0.263 -5.377 1.00 . A A . 2 CYS CA 1 1
1 15 1 1 2 CYS CB C -0.049 -1.424 -4.982 1.00 . A A . 2 CYS CB 1 1
1 16 1 1 2 CYS H H -0.853 0.564 -3.430 1.00 . A A . 2 CYS H 1 1
1 17 1 1 2 CYS HA H -0.635 0.145 -6.319 1.00 . A A . 2 CYS HA 1 1
1 18 1 1 2 CYS HB2 H -0.435 -1.892 -4.089 1.00 . A A . 2 CYS HB2 1 1
1 19 1 1 2 CYS HB3 H -0.033 -2.149 -5.783 1.00 . A A . 2 CYS HB3 1 1
1 20 1 1 2 CYS N N -0.897 0.806 -4.379 1.00 . A A . 2 CYS N 1 1
1 21 1 1 2 CYS O O -2.945 -0.761 -6.657 1.00 . A A . 2 CYS O 1 1
1 22 1 1 2 CYS SG S 1.673 -0.928 -4.646 1.00 . A A . 2 CYS SG 1 1
1 23 1 1 3 GLU C C -5.106 -1.243 -3.102 1.00 . A A . 3 GLU C 1 1
1 24 1 1 3 GLU CA C -4.420 -1.641 -4.412 1.00 . A A . 3 GLU CA 1 1
1 25 1 1 3 GLU CB C -4.470 -3.167 -4.607 1.00 . A A . 3 GLU CB 1 1
1 26 1 1 3 GLU CD C -4.333 -5.113 -6.212 1.00 . A A . 3 GLU CD 1 1
1 27 1 1 3 GLU CG C -4.278 -3.606 -6.050 1.00 . A A . 3 GLU CG 1 1
1 28 1 1 3 GLU H H -2.541 -1.127 -3.577 1.00 . A A . 3 GLU H 1 1
1 29 1 1 3 GLU HA H -4.940 -1.165 -5.231 1.00 . A A . 3 GLU HA 1 1
1 30 1 1 3 GLU HB2 H -3.690 -3.619 -4.011 1.00 . A A . 3 GLU HB2 1 1
1 31 1 1 3 GLU HB3 H -5.426 -3.530 -4.263 1.00 . A A . 3 GLU HB3 1 1
1 32 1 1 3 GLU HG2 H -5.059 -3.167 -6.653 1.00 . A A . 3 GLU HG2 1 1
1 33 1 1 3 GLU HG3 H -3.317 -3.256 -6.395 1.00 . A A . 3 GLU HG3 1 1
1 34 1 1 3 GLU N N -3.034 -1.157 -4.423 1.00 . A A . 3 GLU N 1 1
1 35 1 1 3 GLU O O -6.023 -0.416 -3.101 1.00 . A A . 3 GLU O 1 1
1 36 1 1 3 GLU OE1 O -5.439 -5.646 -6.437 1.00 . A A . 3 GLU OE1 1 1
1 37 1 1 3 GLU OE2 O -3.268 -5.759 -6.115 1.00 . A A . 3 GLU OE2 1 1
1 38 1 1 4 LEU C C -4.139 -0.852 0.206 1.00 . A A . 4 LEU C 1 1
1 39 1 1 4 LEU CA C -5.187 -1.552 -0.660 1.00 . A A . 4 LEU CA 1 1
1 40 1 1 4 LEU CB C -5.649 -2.847 0.028 1.00 . A A . 4 LEU CB 1 1
1 41 1 1 4 LEU CD1 C -6.630 -5.126 -0.348 1.00 . A A . 4 LEU CD1 1 1
1 42 1 1 4 LEU CD2 C -8.116 -3.119 -0.416 1.00 . A A . 4 LEU CD2 1 1
1 43 1 1 4 LEU CG C -6.721 -3.654 -0.719 1.00 . A A . 4 LEU CG 1 1
1 44 1 1 4 LEU H H -3.941 -2.510 -2.081 1.00 . A A . 4 LEU H 1 1
1 45 1 1 4 LEU HA H -6.033 -0.895 -0.780 1.00 . A A . 4 LEU HA 1 1
1 46 1 1 4 LEU HB2 H -4.785 -3.481 0.165 1.00 . A A . 4 LEU HB2 1 1
1 47 1 1 4 LEU HB3 H -6.040 -2.589 1.001 1.00 . A A . 4 LEU HB3 1 1
1 48 1 1 4 LEU HD11 H -6.769 -5.238 0.718 1.00 . A A . 4 LEU HD11 1 1
1 49 1 1 4 LEU HD12 H -5.659 -5.508 -0.625 1.00 . A A . 4 LEU HD12 1 1
1 50 1 1 4 LEU HD13 H -7.397 -5.678 -0.871 1.00 . A A . 4 LEU HD13 1 1
1 51 1 1 4 LEU HD21 H -8.850 -3.703 -0.953 1.00 . A A . 4 LEU HD21 1 1
1 52 1 1 4 LEU HD22 H -8.182 -2.087 -0.727 1.00 . A A . 4 LEU HD22 1 1
1 53 1 1 4 LEU HD23 H -8.307 -3.189 0.644 1.00 . A A . 4 LEU HD23 1 1
1 54 1 1 4 LEU HG H -6.548 -3.566 -1.783 1.00 . A A . 4 LEU HG 1 1
1 55 1 1 4 LEU N N -4.650 -1.841 -1.994 1.00 . A A . 4 LEU N 1 1
1 56 1 1 4 LEU O O -4.479 -0.168 1.176 1.00 . A A . 4 LEU O 1 1
1 57 1 1 5 CYS C C -1.405 0.935 0.013 1.00 . A A . 5 CYS C 1 1
1 58 1 1 5 CYS CA C -1.733 -0.439 0.551 1.00 . A A . 5 CYS CA 1 1
1 59 1 1 5 CYS CB C -0.500 -1.353 0.469 1.00 . A A . 5 CYS CB 1 1
1 60 1 1 5 CYS H H -2.682 -1.599 -0.938 1.00 . A A . 5 CYS H 1 1
1 61 1 1 5 CYS HA H -2.011 -0.313 1.576 1.00 . A A . 5 CYS HA 1 1
1 62 1 1 5 CYS HB2 H -0.358 -1.654 -0.557 1.00 . A A . 5 CYS HB2 1 1
1 63 1 1 5 CYS HB3 H 0.367 -0.795 0.793 1.00 . A A . 5 CYS HB3 1 1
1 64 1 1 5 CYS N N -2.864 -1.035 -0.162 1.00 . A A . 5 CYS N 1 1
1 65 1 1 5 CYS O O -1.009 1.093 -1.148 1.00 . A A . 5 CYS O 1 1
1 66 1 1 5 CYS SG S -0.588 -2.875 1.477 1.00 . A A . 5 CYS SG 1 1
1 67 1 1 6 CYS C C -0.113 3.841 1.311 1.00 . A A . 6 CYS C 1 1
1 68 1 1 6 CYS CA C -1.321 3.301 0.528 1.00 . A A . 6 CYS CA 1 1
1 69 1 1 6 CYS CB C -2.569 4.155 0.762 1.00 . A A . 6 CYS CB 1 1
1 70 1 1 6 CYS H H -1.930 1.726 1.775 1.00 . A A . 6 CYS H 1 1
1 71 1 1 6 CYS HA H -1.087 3.297 -0.515 1.00 . A A . 6 CYS HA 1 1
1 72 1 1 6 CYS HB2 H -3.208 3.657 1.476 1.00 . A A . 6 CYS HB2 1 1
1 73 1 1 6 CYS HB3 H -2.271 5.110 1.160 1.00 . A A . 6 CYS HB3 1 1
1 74 1 1 6 CYS N N -1.593 1.928 0.878 1.00 . A A . 6 CYS N 1 1
1 75 1 1 6 CYS O O -0.044 5.030 1.649 1.00 . A A . 6 CYS O 1 1
1 76 1 1 6 CYS SG S -3.554 4.456 -0.742 1.00 . A A . 6 CYS SG 1 1
1 77 1 1 7 ASN C C 3.190 3.687 1.333 1.00 . A A . 7 ASN C 1 1
1 78 1 1 7 ASN CA C 2.063 3.268 2.302 1.00 . A A . 7 ASN CA 1 1
1 79 1 1 7 ASN CB C 2.462 2.020 3.084 1.00 . A A . 7 ASN CB 1 1
1 80 1 1 7 ASN CG C 2.761 2.248 4.542 1.00 . A A . 7 ASN CG 1 1
1 81 1 1 7 ASN H H 0.741 2.028 1.250 1.00 . A A . 7 ASN H 1 1
1 82 1 1 7 ASN HA H 1.848 4.072 2.985 1.00 . A A . 7 ASN HA 1 1
1 83 1 1 7 ASN HB2 H 1.659 1.320 3.040 1.00 . A A . 7 ASN HB2 1 1
1 84 1 1 7 ASN HB3 H 3.324 1.583 2.625 1.00 . A A . 7 ASN HB3 1 1
1 85 1 1 7 ASN HD21 H 3.307 0.350 4.684 1.00 . A A . 7 ASN HD21 1 1
1 86 1 1 7 ASN HD22 H 3.393 1.273 6.123 1.00 . A A . 7 ASN HD22 1 1
1 87 1 1 7 ASN N N 0.850 2.948 1.567 1.00 . A A . 7 ASN N 1 1
1 88 1 1 7 ASN ND2 N 3.203 1.186 5.185 1.00 . A A . 7 ASN ND2 1 1
1 89 1 1 7 ASN O O 3.077 3.435 0.129 1.00 . A A . 7 ASN O 1 1
1 90 1 1 7 ASN OD1 O 2.586 3.341 5.087 1.00 . A A . 7 ASN OD1 1 1
1 91 1 1 8 PRO C C 6.392 3.616 0.631 1.00 . A A . 8 PRO C 1 1
1 92 1 1 8 PRO CA C 5.419 4.760 0.961 1.00 . A A . 8 PRO CA 1 1
1 93 1 1 8 PRO CB C 6.110 5.865 1.795 1.00 . A A . 8 PRO CB 1 1
1 94 1 1 8 PRO CD C 4.563 4.714 3.219 1.00 . A A . 8 PRO CD 1 1
1 95 1 1 8 PRO CG C 5.299 6.009 3.050 1.00 . A A . 8 PRO CG 1 1
1 96 1 1 8 PRO HA H 5.051 5.172 0.039 1.00 . A A . 8 PRO HA 1 1
1 97 1 1 8 PRO HB2 H 7.128 5.563 2.011 1.00 . A A . 8 PRO HB2 1 1
1 98 1 1 8 PRO HB3 H 6.117 6.789 1.238 1.00 . A A . 8 PRO HB3 1 1
1 99 1 1 8 PRO HD2 H 5.187 3.983 3.711 1.00 . A A . 8 PRO HD2 1 1
1 100 1 1 8 PRO HD3 H 3.641 4.854 3.762 1.00 . A A . 8 PRO HD3 1 1
1 101 1 1 8 PRO HG2 H 5.955 6.184 3.893 1.00 . A A . 8 PRO HG2 1 1
1 102 1 1 8 PRO HG3 H 4.596 6.820 2.945 1.00 . A A . 8 PRO HG3 1 1
1 103 1 1 8 PRO N N 4.300 4.330 1.823 1.00 . A A . 8 PRO N 1 1
1 104 1 1 8 PRO O O 7.589 3.830 0.400 1.00 . A A . 8 PRO O 1 1
1 105 1 1 9 ALA C C 5.645 0.077 -0.234 1.00 . A A . 9 ALA C 1 1
1 106 1 1 9 ALA CA C 6.582 1.171 0.295 1.00 . A A . 9 ALA CA 1 1
1 107 1 1 9 ALA CB C 7.320 0.673 1.539 1.00 . A A . 9 ALA CB 1 1
1 108 1 1 9 ALA H H 4.872 2.341 0.751 1.00 . A A . 9 ALA H 1 1
1 109 1 1 9 ALA HA H 7.316 1.400 -0.465 1.00 . A A . 9 ALA HA 1 1
1 110 1 1 9 ALA HB1 H 7.976 1.450 1.903 1.00 . A A . 9 ALA HB1 1 1
1 111 1 1 9 ALA HB2 H 7.901 -0.201 1.287 1.00 . A A . 9 ALA HB2 1 1
1 112 1 1 9 ALA HB3 H 6.602 0.419 2.305 1.00 . A A . 9 ALA HB3 1 1
1 113 1 1 9 ALA N N 5.835 2.404 0.590 1.00 . A A . 9 ALA N 1 1
1 114 1 1 9 ALA O O 6.093 -1.018 -0.591 1.00 . A A . 9 ALA O 1 1
1 115 1 1 10 CYS C C 3.138 -1.761 0.166 1.00 . A A . 10 CYS C 1 1
1 116 1 1 10 CYS CA C 3.269 -0.533 -0.758 1.00 . A A . 10 CYS CA 1 1
1 117 1 1 10 CYS CB C 3.508 -0.961 -2.224 1.00 . A A . 10 CYS CB 1 1
1 118 1 1 10 CYS H H 4.060 1.292 -0.001 1.00 . A A . 10 CYS H 1 1
1 119 1 1 10 CYS HA H 2.337 0.013 -0.712 1.00 . A A . 10 CYS HA 1 1
1 120 1 1 10 CYS HB2 H 3.637 -0.078 -2.832 1.00 . A A . 10 CYS HB2 1 1
1 121 1 1 10 CYS HB3 H 4.405 -1.560 -2.274 1.00 . A A . 10 CYS HB3 1 1
1 122 1 1 10 CYS N N 4.329 0.394 -0.289 1.00 . A A . 10 CYS N 1 1
1 123 1 1 10 CYS O O 2.862 -2.880 -0.288 1.00 . A A . 10 CYS O 1 1
1 124 1 1 10 CYS SG S 2.147 -1.935 -2.947 1.00 . A A . 10 CYS SG 1 1
1 125 1 1 11 THR C C 2.381 -2.126 3.687 1.00 . A A . 11 THR C 1 1
1 126 1 1 11 THR CA C 3.227 -2.584 2.482 1.00 . A A . 11 THR CA 1 1
1 127 1 1 11 THR CB C 4.640 -3.029 2.954 1.00 . A A . 11 THR CB 1 1
1 128 1 1 11 THR CG2 C 4.634 -4.482 3.422 1.00 . A A . 11 THR CG2 1 1
1 129 1 1 11 THR H H 3.514 -0.610 1.763 1.00 . A A . 11 THR H 1 1
1 130 1 1 11 THR HA H 2.740 -3.432 2.023 1.00 . A A . 11 THR HA 1 1
1 131 1 1 11 THR HB H 4.941 -2.402 3.780 1.00 . A A . 11 THR HB 1 1
1 132 1 1 11 THR HG1 H 6.477 -2.857 2.252 1.00 . A A . 11 THR HG1 1 1
1 133 1 1 11 THR HG21 H 5.627 -4.760 3.743 1.00 . A A . 11 THR HG21 1 1
1 134 1 1 11 THR HG22 H 4.326 -5.121 2.608 1.00 . A A . 11 THR HG22 1 1
1 135 1 1 11 THR HG23 H 3.946 -4.591 4.247 1.00 . A A . 11 THR HG23 1 1
1 136 1 1 11 THR N N 3.317 -1.525 1.472 1.00 . A A . 11 THR N 1 1
1 137 1 1 11 THR O O 2.668 -2.477 4.839 1.00 . A A . 11 THR O 1 1
1 138 1 1 11 THR OG1 O 5.589 -2.887 1.888 1.00 . A A . 11 THR OG1 1 1
1 139 1 1 12 GLY C C -1.016 -0.884 4.004 1.00 . A A . 12 GLY C 1 1
1 140 1 1 12 GLY CA C 0.434 -0.859 4.438 1.00 . A A . 12 GLY CA 1 1
1 141 1 1 12 GLY H H 1.145 -1.135 2.460 1.00 . A A . 12 GLY H 1 1
1 142 1 1 12 GLY HA2 H 0.548 -1.470 5.320 1.00 . A A . 12 GLY HA2 1 1
1 143 1 1 12 GLY HA3 H 0.705 0.150 4.680 1.00 . A A . 12 GLY HA3 1 1
1 144 1 1 12 GLY N N 1.324 -1.359 3.397 1.00 . A A . 12 GLY N 1 1
1 145 1 1 12 GLY O O -1.568 0.141 3.594 1.00 . A A . 12 GLY O 1 1
1 146 1 1 13 CYS C C -3.933 -2.262 4.931 1.00 . A A . 13 CYS C 1 1
1 147 1 1 13 CYS CA C -3.015 -2.273 3.710 1.00 . A A . 13 CYS CA 1 1
1 148 1 1 13 CYS CB C -3.160 -3.593 2.943 1.00 . A A . 13 CYS CB 1 1
1 149 1 1 13 CYS H H -1.108 -2.821 4.450 1.00 . A A . 13 CYS H 1 1
1 150 1 1 13 CYS HA H -3.298 -1.460 3.056 1.00 . A A . 13 CYS HA 1 1
1 151 1 1 13 CYS HB2 H -2.641 -4.371 3.482 1.00 . A A . 13 CYS HB2 1 1
1 152 1 1 13 CYS HB3 H -4.208 -3.847 2.877 1.00 . A A . 13 CYS HB3 1 1
1 153 1 1 13 CYS N N -1.620 -2.065 4.100 1.00 . A A . 13 CYS N 1 1
1 154 1 1 13 CYS O O -4.830 -1.394 4.986 1.00 . A A . 13 CYS O 1 1
1 155 1 1 13 CYS OXT O -3.743 -3.114 5.828 1.00 . A A . 13 CYS OXT 1 1
1 156 1 1 13 CYS SG S -2.489 -3.554 1.247 1.00 . A A . 13 CYS SG 1 1
2 157 1 1 1 CYS C C -0.887 2.101 -4.718 1.00 . A A . 1 CYS C 1 1
2 158 1 1 1 CYS CA C -0.808 3.096 -3.564 1.00 . A A . 1 CYS CA 1 1
2 159 1 1 1 CYS CB C -2.172 3.758 -3.359 1.00 . A A . 1 CYS CB 1 1
2 160 1 1 1 CYS H1 H -0.001 4.650 -4.697 1.00 . A A . 1 CYS H1 1 1
2 161 1 1 1 CYS H2 H 1.159 3.680 -3.940 1.00 . A A . 1 CYS H2 1 1
2 162 1 1 1 CYS H3 H 0.272 4.799 -3.034 1.00 . A A . 1 CYS H3 1 1
2 163 1 1 1 CYS HA H -0.534 2.563 -2.665 1.00 . A A . 1 CYS HA 1 1
2 164 1 1 1 CYS HB2 H -2.497 4.194 -4.292 1.00 . A A . 1 CYS HB2 1 1
2 165 1 1 1 CYS HB3 H -2.886 3.008 -3.050 1.00 . A A . 1 CYS HB3 1 1
2 166 1 1 1 CYS N N 0.228 4.128 -3.827 1.00 . A A . 1 CYS N 1 1
2 167 1 1 1 CYS O O -0.937 2.500 -5.886 1.00 . A A . 1 CYS O 1 1
2 168 1 1 1 CYS SG S -2.178 5.079 -2.102 1.00 . A A . 1 CYS SG 1 1
2 169 1 1 2 CYS C C -2.414 -0.749 -5.542 1.00 . A A . 2 CYS C 1 1
2 170 1 1 2 CYS CA C -0.971 -0.262 -5.376 1.00 . A A . 2 CYS CA 1 1
2 171 1 1 2 CYS CB C -0.051 -1.424 -4.979 1.00 . A A . 2 CYS CB 1 1
2 172 1 1 2 CYS H H -0.852 0.567 -3.429 1.00 . A A . 2 CYS H 1 1
2 173 1 1 2 CYS HA H -0.634 0.145 -6.318 1.00 . A A . 2 CYS HA 1 1
2 174 1 1 2 CYS HB2 H -0.437 -1.890 -4.086 1.00 . A A . 2 CYS HB2 1 1
2 175 1 1 2 CYS HB3 H -0.035 -2.150 -5.779 1.00 . A A . 2 CYS HB3 1 1
2 176 1 1 2 CYS N N -0.897 0.807 -4.378 1.00 . A A . 2 CYS N 1 1
2 177 1 1 2 CYS O O -2.946 -0.758 -6.656 1.00 . A A . 2 CYS O 1 1
2 178 1 1 2 CYS SG S 1.672 -0.929 -4.644 1.00 . A A . 2 CYS SG 1 1
2 179 1 1 3 GLU C C -5.106 -1.242 -3.099 1.00 . A A . 3 GLU C 1 1
2 180 1 1 3 GLU CA C -4.421 -1.637 -4.411 1.00 . A A . 3 GLU CA 1 1
2 181 1 1 3 GLU CB C -4.473 -3.162 -4.610 1.00 . A A . 3 GLU CB 1 1
2 182 1 1 3 GLU CD C -4.341 -5.103 -6.221 1.00 . A A . 3 GLU CD 1 1
2 183 1 1 3 GLU CG C -4.285 -3.598 -6.054 1.00 . A A . 3 GLU CG 1 1
2 184 1 1 3 GLU H H -2.542 -1.125 -3.576 1.00 . A A . 3 GLU H 1 1
2 185 1 1 3 GLU HA H -4.942 -1.158 -5.228 1.00 . A A . 3 GLU HA 1 1
2 186 1 1 3 GLU HB2 H -3.693 -3.616 -4.016 1.00 . A A . 3 GLU HB2 1 1
2 187 1 1 3 GLU HB3 H -5.430 -3.525 -4.266 1.00 . A A . 3 GLU HB3 1 1
2 188 1 1 3 GLU HG2 H -5.065 -3.155 -6.655 1.00 . A A . 3 GLU HG2 1 1
2 189 1 1 3 GLU HG3 H -3.323 -3.248 -6.399 1.00 . A A . 3 GLU HG3 1 1
2 190 1 1 3 GLU N N -3.036 -1.154 -4.422 1.00 . A A . 3 GLU N 1 1
2 191 1 1 3 GLU O O -6.022 -0.414 -3.096 1.00 . A A . 3 GLU O 1 1
2 192 1 1 3 GLU OE1 O -3.278 -5.752 -6.128 1.00 . A A . 3 GLU OE1 1 1
2 193 1 1 3 GLU OE2 O -5.449 -5.634 -6.445 1.00 . A A . 3 GLU OE2 1 1
2 194 1 1 4 LEU C C -4.138 -0.857 0.208 1.00 . A A . 4 LEU C 1 1
2 195 1 1 4 LEU CA C -5.185 -1.558 -0.658 1.00 . A A . 4 LEU CA 1 1
2 196 1 1 4 LEU CB C -5.644 -2.854 0.028 1.00 . A A . 4 LEU CB 1 1
2 197 1 1 4 LEU CD1 C -6.622 -5.134 -0.351 1.00 . A A . 4 LEU CD1 1 1
2 198 1 1 4 LEU CD2 C -8.112 -3.130 -0.410 1.00 . A A . 4 LEU CD2 1 1
2 199 1 1 4 LEU CG C -6.716 -3.661 -0.718 1.00 . A A . 4 LEU CG 1 1
2 200 1 1 4 LEU H H -3.941 -2.513 -2.082 1.00 . A A . 4 LEU H 1 1
2 201 1 1 4 LEU HA H -6.033 -0.902 -0.776 1.00 . A A . 4 LEU HA 1 1
2 202 1 1 4 LEU HB2 H -4.779 -3.487 0.162 1.00 . A A . 4 LEU HB2 1 1
2 203 1 1 4 LEU HB3 H -6.034 -2.599 1.002 1.00 . A A . 4 LEU HB3 1 1
2 204 1 1 4 LEU HD11 H -5.651 -5.514 -0.632 1.00 . A A . 4 LEU HD11 1 1
2 205 1 1 4 LEU HD12 H -7.389 -5.686 -0.874 1.00 . A A . 4 LEU HD12 1 1
2 206 1 1 4 LEU HD13 H -6.758 -5.249 0.714 1.00 . A A . 4 LEU HD13 1 1
2 207 1 1 4 LEU HD21 H -8.300 -3.204 0.651 1.00 . A A . 4 LEU HD21 1 1
2 208 1 1 4 LEU HD22 H -8.846 -3.713 -0.947 1.00 . A A . 4 LEU HD22 1 1
2 209 1 1 4 LEU HD23 H -8.180 -2.097 -0.717 1.00 . A A . 4 LEU HD23 1 1
2 210 1 1 4 LEU HG H -6.547 -3.570 -1.782 1.00 . A A . 4 LEU HG 1 1
2 211 1 1 4 LEU N N -4.650 -1.843 -1.993 1.00 . A A . 4 LEU N 1 1
2 212 1 1 4 LEU O O -4.478 -0.175 1.180 1.00 . A A . 4 LEU O 1 1
2 213 1 1 5 CYS C C -1.405 0.934 0.012 1.00 . A A . 5 CYS C 1 1
2 214 1 1 5 CYS CA C -1.732 -0.440 0.551 1.00 . A A . 5 CYS CA 1 1
2 215 1 1 5 CYS CB C -0.499 -1.353 0.468 1.00 . A A . 5 CYS CB 1 1
2 216 1 1 5 CYS H H -2.681 -1.599 -0.940 1.00 . A A . 5 CYS H 1 1
2 217 1 1 5 CYS HA H -2.010 -0.314 1.576 1.00 . A A . 5 CYS HA 1 1
2 218 1 1 5 CYS HB2 H -0.356 -1.654 -0.558 1.00 . A A . 5 CYS HB2 1 1
2 219 1 1 5 CYS HB3 H 0.368 -0.795 0.793 1.00 . A A . 5 CYS HB3 1 1
2 220 1 1 5 CYS N N -2.863 -1.037 -0.162 1.00 . A A . 5 CYS N 1 1
2 221 1 1 5 CYS O O -1.011 1.092 -1.150 1.00 . A A . 5 CYS O 1 1
2 222 1 1 5 CYS SG S -0.585 -2.875 1.477 1.00 . A A . 5 CYS SG 1 1
2 223 1 1 6 CYS C C -0.112 3.841 1.309 1.00 . A A . 6 CYS C 1 1
2 224 1 1 6 CYS CA C -1.320 3.300 0.527 1.00 . A A . 6 CYS CA 1 1
2 225 1 1 6 CYS CB C -2.569 4.154 0.761 1.00 . A A . 6 CYS CB 1 1
2 226 1 1 6 CYS H H -1.928 1.725 1.775 1.00 . A A . 6 CYS H 1 1
2 227 1 1 6 CYS HA H -1.087 3.296 -0.516 1.00 . A A . 6 CYS HA 1 1
2 228 1 1 6 CYS HB2 H -3.208 3.655 1.474 1.00 . A A . 6 CYS HB2 1 1
2 229 1 1 6 CYS HB3 H -2.271 5.108 1.161 1.00 . A A . 6 CYS HB3 1 1
2 230 1 1 6 CYS N N -1.592 1.927 0.878 1.00 . A A . 6 CYS N 1 1
2 231 1 1 6 CYS O O -0.044 5.031 1.647 1.00 . A A . 6 CYS O 1 1
2 232 1 1 6 CYS SG S -3.553 4.456 -0.743 1.00 . A A . 6 CYS SG 1 1
2 233 1 1 7 ASN C C 3.190 3.688 1.332 1.00 . A A . 7 ASN C 1 1
2 234 1 1 7 ASN CA C 2.063 3.269 2.301 1.00 . A A . 7 ASN CA 1 1
2 235 1 1 7 ASN CB C 2.463 2.022 3.084 1.00 . A A . 7 ASN CB 1 1
2 236 1 1 7 ASN CG C 2.761 2.251 4.542 1.00 . A A . 7 ASN CG 1 1
2 237 1 1 7 ASN H H 0.741 2.028 1.251 1.00 . A A . 7 ASN H 1 1
2 238 1 1 7 ASN HA H 1.848 4.074 2.984 1.00 . A A . 7 ASN HA 1 1
2 239 1 1 7 ASN HB2 H 1.660 1.322 3.040 1.00 . A A . 7 ASN HB2 1 1
2 240 1 1 7 ASN HB3 H 3.325 1.584 2.626 1.00 . A A . 7 ASN HB3 1 1
2 241 1 1 7 ASN HD21 H 3.304 0.353 4.687 1.00 . A A . 7 ASN HD21 1 1
2 242 1 1 7 ASN HD22 H 3.390 1.277 6.125 1.00 . A A . 7 ASN HD22 1 1
2 243 1 1 7 ASN N N 0.851 2.948 1.567 1.00 . A A . 7 ASN N 1 1
2 244 1 1 7 ASN ND2 N 3.201 1.189 5.187 1.00 . A A . 7 ASN ND2 1 1
2 245 1 1 7 ASN O O 3.077 3.434 0.128 1.00 . A A . 7 ASN O 1 1
2 246 1 1 7 ASN OD1 O 2.587 3.344 5.086 1.00 . A A . 7 ASN OD1 1 1
2 247 1 1 8 PRO C C 6.393 3.615 0.629 1.00 . A A . 8 PRO C 1 1
2 248 1 1 8 PRO CA C 5.420 4.760 0.959 1.00 . A A . 8 PRO CA 1 1
2 249 1 1 8 PRO CB C 6.111 5.865 1.792 1.00 . A A . 8 PRO CB 1 1
2 250 1 1 8 PRO CD C 4.564 4.715 3.217 1.00 . A A . 8 PRO CD 1 1
2 251 1 1 8 PRO CG C 5.301 6.010 3.046 1.00 . A A . 8 PRO CG 1 1
2 252 1 1 8 PRO HA H 5.052 5.171 0.036 1.00 . A A . 8 PRO HA 1 1
2 253 1 1 8 PRO HB2 H 7.129 5.562 2.007 1.00 . A A . 8 PRO HB2 1 1
2 254 1 1 8 PRO HB3 H 6.118 6.789 1.234 1.00 . A A . 8 PRO HB3 1 1
2 255 1 1 8 PRO HD2 H 5.188 3.984 3.709 1.00 . A A . 8 PRO HD2 1 1
2 256 1 1 8 PRO HD3 H 3.642 4.856 3.760 1.00 . A A . 8 PRO HD3 1 1
2 257 1 1 8 PRO HG2 H 5.956 6.186 3.889 1.00 . A A . 8 PRO HG2 1 1
2 258 1 1 8 PRO HG3 H 4.597 6.821 2.941 1.00 . A A . 8 PRO HG3 1 1
2 259 1 1 8 PRO N N 4.300 4.331 1.821 1.00 . A A . 8 PRO N 1 1
2 260 1 1 8 PRO O O 7.590 3.829 0.398 1.00 . A A . 8 PRO O 1 1
2 261 1 1 9 ALA C C 5.644 0.076 -0.233 1.00 . A A . 9 ALA C 1 1
2 262 1 1 9 ALA CA C 6.582 1.170 0.295 1.00 . A A . 9 ALA CA 1 1
2 263 1 1 9 ALA CB C 7.319 0.673 1.539 1.00 . A A . 9 ALA CB 1 1
2 264 1 1 9 ALA H H 4.873 2.340 0.751 1.00 . A A . 9 ALA H 1 1
2 265 1 1 9 ALA HA H 7.316 1.398 -0.465 1.00 . A A . 9 ALA HA 1 1
2 266 1 1 9 ALA HB1 H 7.975 1.450 1.903 1.00 . A A . 9 ALA HB1 1 1
2 267 1 1 9 ALA HB2 H 7.902 -0.201 1.287 1.00 . A A . 9 ALA HB2 1 1
2 268 1 1 9 ALA HB3 H 6.602 0.418 2.305 1.00 . A A . 9 ALA HB3 1 1
2 269 1 1 9 ALA N N 5.836 2.403 0.589 1.00 . A A . 9 ALA N 1 1
2 270 1 1 9 ALA O O 6.092 -1.019 -0.590 1.00 . A A . 9 ALA O 1 1
2 271 1 1 10 CYS C C 3.136 -1.761 0.168 1.00 . A A . 10 CYS C 1 1
2 272 1 1 10 CYS CA C 3.269 -0.533 -0.757 1.00 . A A . 10 CYS CA 1 1
2 273 1 1 10 CYS CB C 3.507 -0.962 -2.222 1.00 . A A . 10 CYS CB 1 1
2 274 1 1 10 CYS H H 4.060 1.291 0.000 1.00 . A A . 10 CYS H 1 1
2 275 1 1 10 CYS HA H 2.337 0.012 -0.711 1.00 . A A . 10 CYS HA 1 1
2 276 1 1 10 CYS HB2 H 3.636 -0.080 -2.830 1.00 . A A . 10 CYS HB2 1 1
2 277 1 1 10 CYS HB3 H 4.404 -1.563 -2.271 1.00 . A A . 10 CYS HB3 1 1
2 278 1 1 10 CYS N N 4.329 0.393 -0.288 1.00 . A A . 10 CYS N 1 1
2 279 1 1 10 CYS O O 2.860 -2.880 -0.284 1.00 . A A . 10 CYS O 1 1
2 280 1 1 10 CYS SG S 2.145 -1.936 -2.944 1.00 . A A . 10 CYS SG 1 1
2 281 1 1 11 THR C C 2.379 -2.124 3.689 1.00 . A A . 11 THR C 1 1
2 282 1 1 11 THR CA C 3.226 -2.583 2.485 1.00 . A A . 11 THR CA 1 1
2 283 1 1 11 THR CB C 4.639 -3.027 2.958 1.00 . A A . 11 THR CB 1 1
2 284 1 1 11 THR CG2 C 4.633 -4.479 3.428 1.00 . A A . 11 THR CG2 1 1
2 285 1 1 11 THR H H 3.514 -0.609 1.764 1.00 . A A . 11 THR H 1 1
2 286 1 1 11 THR HA H 2.739 -3.431 2.026 1.00 . A A . 11 THR HA 1 1
2 287 1 1 11 THR HB H 4.939 -2.399 3.784 1.00 . A A . 11 THR HB 1 1
2 288 1 1 11 THR HG1 H 5.199 -3.196 1.072 1.00 . A A . 11 THR HG1 1 1
2 289 1 1 11 THR HG21 H 3.944 -4.588 4.252 1.00 . A A . 11 THR HG21 1 1
2 290 1 1 11 THR HG22 H 5.626 -4.757 3.749 1.00 . A A . 11 THR HG22 1 1
2 291 1 1 11 THR HG23 H 4.326 -5.120 2.614 1.00 . A A . 11 THR HG23 1 1
2 292 1 1 11 THR N N 3.316 -1.524 1.474 1.00 . A A . 11 THR N 1 1
2 293 1 1 11 THR O O 2.666 -2.474 4.842 1.00 . A A . 11 THR O 1 1
2 294 1 1 11 THR OG1 O 5.589 -2.885 1.893 1.00 . A A . 11 THR OG1 1 1
2 295 1 1 12 GLY C C -1.018 -0.884 4.003 1.00 . A A . 12 GLY C 1 1
2 296 1 1 12 GLY CA C 0.431 -0.857 4.437 1.00 . A A . 12 GLY CA 1 1
2 297 1 1 12 GLY H H 1.144 -1.134 2.460 1.00 . A A . 12 GLY H 1 1
2 298 1 1 12 GLY HA2 H 0.546 -1.467 5.320 1.00 . A A . 12 GLY HA2 1 1
2 299 1 1 12 GLY HA3 H 0.702 0.153 4.679 1.00 . A A . 12 GLY HA3 1 1
2 300 1 1 12 GLY N N 1.323 -1.357 3.398 1.00 . A A . 12 GLY N 1 1
2 301 1 1 12 GLY O O -1.572 0.141 3.594 1.00 . A A . 12 GLY O 1 1
2 302 1 1 13 CYS C C -3.934 -2.266 4.929 1.00 . A A . 13 CYS C 1 1
2 303 1 1 13 CYS CA C -3.015 -2.275 3.708 1.00 . A A . 13 CYS CA 1 1
2 304 1 1 13 CYS CB C -3.158 -3.596 2.942 1.00 . A A . 13 CYS CB 1 1
2 305 1 1 13 CYS H H -1.107 -2.821 4.449 1.00 . A A . 13 CYS H 1 1
2 306 1 1 13 CYS HA H -3.299 -1.463 3.054 1.00 . A A . 13 CYS HA 1 1
2 307 1 1 13 CYS HB2 H -2.638 -4.373 3.481 1.00 . A A . 13 CYS HB2 1 1
2 308 1 1 13 CYS HB3 H -4.205 -3.851 2.875 1.00 . A A . 13 CYS HB3 1 1
2 309 1 1 13 CYS N N -1.620 -2.066 4.099 1.00 . A A . 13 CYS N 1 1
2 310 1 1 13 CYS O O -4.832 -1.400 4.983 1.00 . A A . 13 CYS O 1 1
2 311 1 1 13 CYS OXT O -3.743 -3.117 5.826 1.00 . A A . 13 CYS OXT 1 1
2 312 1 1 13 CYS SG S -2.485 -3.556 1.245 1.00 . A A . 13 CYS SG 1 1
3 313 1 1 1 CYS C C -0.889 2.101 -4.719 1.00 . A A . 1 CYS C 1 1
3 314 1 1 1 CYS CA C -0.811 3.095 -3.565 1.00 . A A . 1 CYS CA 1 1
3 315 1 1 1 CYS CB C -2.177 3.757 -3.359 1.00 . A A . 1 CYS CB 1 1
3 316 1 1 1 CYS H1 H -0.006 4.651 -4.697 1.00 . A A . 1 CYS H1 1 1
3 317 1 1 1 CYS H2 H 1.155 3.682 -3.941 1.00 . A A . 1 CYS H2 1 1
3 318 1 1 1 CYS H3 H 0.267 4.800 -3.034 1.00 . A A . 1 CYS H3 1 1
3 319 1 1 1 CYS HA H -0.537 2.563 -2.666 1.00 . A A . 1 CYS HA 1 1
3 320 1 1 1 CYS HB2 H -2.503 4.190 -4.293 1.00 . A A . 1 CYS HB2 1 1
3 321 1 1 1 CYS HB3 H -2.889 3.006 -3.049 1.00 . A A . 1 CYS HB3 1 1
3 322 1 1 1 CYS N N 0.223 4.129 -3.828 1.00 . A A . 1 CYS N 1 1
3 323 1 1 1 CYS O O -0.941 2.500 -5.886 1.00 . A A . 1 CYS O 1 1
3 324 1 1 1 CYS SG S -2.183 5.079 -2.104 1.00 . A A . 1 CYS SG 1 1
3 325 1 1 2 CYS C C -2.412 -0.752 -5.543 1.00 . A A . 2 CYS C 1 1
3 326 1 1 2 CYS CA C -0.970 -0.262 -5.377 1.00 . A A . 2 CYS CA 1 1
3 327 1 1 2 CYS CB C -0.048 -1.423 -4.981 1.00 . A A . 2 CYS CB 1 1
3 328 1 1 2 CYS H H -0.852 0.567 -3.430 1.00 . A A . 2 CYS H 1 1
3 329 1 1 2 CYS HA H -0.634 0.146 -6.319 1.00 . A A . 2 CYS HA 1 1
3 330 1 1 2 CYS HB2 H -0.434 -1.890 -4.087 1.00 . A A . 2 CYS HB2 1 1
3 331 1 1 2 CYS HB3 H -0.031 -2.148 -5.781 1.00 . A A . 2 CYS HB3 1 1
3 332 1 1 2 CYS N N -0.897 0.807 -4.379 1.00 . A A . 2 CYS N 1 1
3 333 1 1 2 CYS O O -2.944 -0.762 -6.657 1.00 . A A . 2 CYS O 1 1
3 334 1 1 2 CYS SG S 1.674 -0.926 -4.645 1.00 . A A . 2 CYS SG 1 1
3 335 1 1 3 GLU C C -5.105 -1.243 -3.101 1.00 . A A . 3 GLU C 1 1
3 336 1 1 3 GLU CA C -4.419 -1.641 -4.411 1.00 . A A . 3 GLU CA 1 1
3 337 1 1 3 GLU CB C -4.468 -3.167 -4.606 1.00 . A A . 3 GLU CB 1 1
3 338 1 1 3 GLU CD C -4.330 -5.113 -6.212 1.00 . A A . 3 GLU CD 1 1
3 339 1 1 3 GLU CG C -4.276 -3.606 -6.049 1.00 . A A . 3 GLU CG 1 1
3 340 1 1 3 GLU H H -2.540 -1.126 -3.576 1.00 . A A . 3 GLU H 1 1
3 341 1 1 3 GLU HA H -4.939 -1.165 -5.230 1.00 . A A . 3 GLU HA 1 1
3 342 1 1 3 GLU HB2 H -3.689 -3.618 -4.010 1.00 . A A . 3 GLU HB2 1 1
3 343 1 1 3 GLU HB3 H -5.425 -3.530 -4.263 1.00 . A A . 3 GLU HB3 1 1
3 344 1 1 3 GLU HG2 H -5.056 -3.167 -6.653 1.00 . A A . 3 GLU HG2 1 1
3 345 1 1 3 GLU HG3 H -3.315 -3.256 -6.394 1.00 . A A . 3 GLU HG3 1 1
3 346 1 1 3 GLU N N -3.033 -1.156 -4.423 1.00 . A A . 3 GLU N 1 1
3 347 1 1 3 GLU O O -6.022 -0.416 -3.101 1.00 . A A . 3 GLU O 1 1
3 348 1 1 3 GLU OE1 O -5.437 -5.647 -6.437 1.00 . A A . 3 GLU OE1 1 1
3 349 1 1 3 GLU OE2 O -3.266 -5.759 -6.115 1.00 . A A . 3 GLU OE2 1 1
3 350 1 1 4 LEU C C -4.138 -0.851 0.207 1.00 . A A . 4 LEU C 1 1
3 351 1 1 4 LEU CA C -5.186 -1.553 -0.660 1.00 . A A . 4 LEU CA 1 1
3 352 1 1 4 LEU CB C -5.647 -2.848 0.028 1.00 . A A . 4 LEU CB 1 1
3 353 1 1 4 LEU CD1 C -6.626 -5.127 -0.347 1.00 . A A . 4 LEU CD1 1 1
3 354 1 1 4 LEU CD2 C -8.115 -3.122 -0.415 1.00 . A A . 4 LEU CD2 1 1
3 355 1 1 4 LEU CG C -6.718 -3.656 -0.718 1.00 . A A . 4 LEU CG 1 1
3 356 1 1 4 LEU H H -3.940 -2.511 -2.080 1.00 . A A . 4 LEU H 1 1
3 357 1 1 4 LEU HA H -6.033 -0.896 -0.780 1.00 . A A . 4 LEU HA 1 1
3 358 1 1 4 LEU HB2 H -4.783 -3.481 0.166 1.00 . A A . 4 LEU HB2 1 1
3 359 1 1 4 LEU HB3 H -6.038 -2.590 1.001 1.00 . A A . 4 LEU HB3 1 1
3 360 1 1 4 LEU HD11 H -7.393 -5.679 -0.870 1.00 . A A . 4 LEU HD11 1 1
3 361 1 1 4 LEU HD12 H -6.766 -5.239 0.718 1.00 . A A . 4 LEU HD12 1 1
3 362 1 1 4 LEU HD13 H -5.655 -5.509 -0.625 1.00 . A A . 4 LEU HD13 1 1
3 363 1 1 4 LEU HD21 H -8.305 -3.193 0.646 1.00 . A A . 4 LEU HD21 1 1
3 364 1 1 4 LEU HD22 H -8.848 -3.706 -0.952 1.00 . A A . 4 LEU HD22 1 1
3 365 1 1 4 LEU HD23 H -8.180 -2.089 -0.725 1.00 . A A . 4 LEU HD23 1 1
3 366 1 1 4 LEU HG H -6.547 -3.568 -1.782 1.00 . A A . 4 LEU HG 1 1
3 367 1 1 4 LEU N N -4.649 -1.841 -1.993 1.00 . A A . 4 LEU N 1 1
3 368 1 1 4 LEU O O -4.479 -0.167 1.176 1.00 . A A . 4 LEU O 1 1
3 369 1 1 5 CYS C C -1.405 0.937 0.012 1.00 . A A . 5 CYS C 1 1
3 370 1 1 5 CYS CA C -1.733 -0.438 0.551 1.00 . A A . 5 CYS CA 1 1
3 371 1 1 5 CYS CB C -0.499 -1.350 0.469 1.00 . A A . 5 CYS CB 1 1
3 372 1 1 5 CYS H H -2.681 -1.598 -0.938 1.00 . A A . 5 CYS H 1 1
3 373 1 1 5 CYS HA H -2.011 -0.311 1.576 1.00 . A A . 5 CYS HA 1 1
3 374 1 1 5 CYS HB2 H -0.356 -1.651 -0.557 1.00 . A A . 5 CYS HB2 1 1
3 375 1 1 5 CYS HB3 H 0.367 -0.793 0.794 1.00 . A A . 5 CYS HB3 1 1
3 376 1 1 5 CYS N N -2.863 -1.034 -0.162 1.00 . A A . 5 CYS N 1 1
3 377 1 1 5 CYS O O -1.009 1.094 -1.149 1.00 . A A . 5 CYS O 1 1
3 378 1 1 5 CYS SG S -0.587 -2.873 1.477 1.00 . A A . 5 CYS SG 1 1
3 379 1 1 6 CYS C C -0.114 3.844 1.308 1.00 . A A . 6 CYS C 1 1
3 380 1 1 6 CYS CA C -1.322 3.302 0.526 1.00 . A A . 6 CYS CA 1 1
3 381 1 1 6 CYS CB C -2.571 4.157 0.760 1.00 . A A . 6 CYS CB 1 1
3 382 1 1 6 CYS H H -1.931 1.729 1.773 1.00 . A A . 6 CYS H 1 1
3 383 1 1 6 CYS HA H -1.088 3.299 -0.517 1.00 . A A . 6 CYS HA 1 1
3 384 1 1 6 CYS HB2 H -3.209 3.658 1.475 1.00 . A A . 6 CYS HB2 1 1
3 385 1 1 6 CYS HB3 H -2.273 5.112 1.158 1.00 . A A . 6 CYS HB3 1 1
3 386 1 1 6 CYS N N -1.594 1.930 0.877 1.00 . A A . 6 CYS N 1 1
3 387 1 1 6 CYS O O -0.045 5.033 1.645 1.00 . A A . 6 CYS O 1 1
3 388 1 1 6 CYS SG S -3.556 4.457 -0.744 1.00 . A A . 6 CYS SG 1 1
3 389 1 1 7 ASN C C 3.188 3.688 1.333 1.00 . A A . 7 ASN C 1 1
3 390 1 1 7 ASN CA C 2.060 3.271 2.301 1.00 . A A . 7 ASN CA 1 1
3 391 1 1 7 ASN CB C 2.459 2.024 3.085 1.00 . A A . 7 ASN CB 1 1
3 392 1 1 7 ASN CG C 2.758 2.253 4.543 1.00 . A A . 7 ASN CG 1 1
3 393 1 1 7 ASN H H 0.738 2.030 1.252 1.00 . A A . 7 ASN H 1 1
3 394 1 1 7 ASN HA H 1.846 4.076 2.984 1.00 . A A . 7 ASN HA 1 1
3 395 1 1 7 ASN HB2 H 1.656 1.324 3.041 1.00 . A A . 7 ASN HB2 1 1
3 396 1 1 7 ASN HB3 H 3.321 1.585 2.627 1.00 . A A . 7 ASN HB3 1 1
3 397 1 1 7 ASN HD21 H 3.300 0.355 4.688 1.00 . A A . 7 ASN HD21 1 1
3 398 1 1 7 ASN HD22 H 3.387 1.279 6.126 1.00 . A A . 7 ASN HD22 1 1
3 399 1 1 7 ASN N N 0.848 2.950 1.567 1.00 . A A . 7 ASN N 1 1
3 400 1 1 7 ASN ND2 N 3.198 1.192 5.188 1.00 . A A . 7 ASN ND2 1 1
3 401 1 1 7 ASN O O 3.075 3.434 0.129 1.00 . A A . 7 ASN O 1 1
3 402 1 1 7 ASN OD1 O 2.583 3.347 5.087 1.00 . A A . 7 ASN OD1 1 1
3 403 1 1 8 PRO C C 6.391 3.615 0.631 1.00 . A A . 8 PRO C 1 1
3 404 1 1 8 PRO CA C 5.418 4.760 0.959 1.00 . A A . 8 PRO CA 1 1
3 405 1 1 8 PRO CB C 6.108 5.866 1.792 1.00 . A A . 8 PRO CB 1 1
3 406 1 1 8 PRO CD C 4.561 4.717 3.217 1.00 . A A . 8 PRO CD 1 1
3 407 1 1 8 PRO CG C 5.298 6.011 3.046 1.00 . A A . 8 PRO CG 1 1
3 408 1 1 8 PRO HA H 5.050 5.170 0.036 1.00 . A A . 8 PRO HA 1 1
3 409 1 1 8 PRO HB2 H 7.126 5.564 2.008 1.00 . A A . 8 PRO HB2 1 1
3 410 1 1 8 PRO HB3 H 6.115 6.789 1.234 1.00 . A A . 8 PRO HB3 1 1
3 411 1 1 8 PRO HD2 H 5.185 3.986 3.710 1.00 . A A . 8 PRO HD2 1 1
3 412 1 1 8 PRO HD3 H 3.639 4.858 3.760 1.00 . A A . 8 PRO HD3 1 1
3 413 1 1 8 PRO HG2 H 5.953 6.188 3.889 1.00 . A A . 8 PRO HG2 1 1
3 414 1 1 8 PRO HG3 H 4.594 6.823 2.940 1.00 . A A . 8 PRO HG3 1 1
3 415 1 1 8 PRO N N 4.298 4.331 1.822 1.00 . A A . 8 PRO N 1 1
3 416 1 1 8 PRO O O 7.588 3.828 0.401 1.00 . A A . 8 PRO O 1 1
3 417 1 1 9 ALA C C 5.644 0.075 -0.231 1.00 . A A . 9 ALA C 1 1
3 418 1 1 9 ALA CA C 6.581 1.170 0.299 1.00 . A A . 9 ALA CA 1 1
3 419 1 1 9 ALA CB C 7.316 0.672 1.545 1.00 . A A . 9 ALA CB 1 1
3 420 1 1 9 ALA H H 4.871 2.340 0.753 1.00 . A A . 9 ALA H 1 1
3 421 1 1 9 ALA HA H 7.316 1.398 -0.459 1.00 . A A . 9 ALA HA 1 1
3 422 1 1 9 ALA HB1 H 6.597 0.419 2.310 1.00 . A A . 9 ALA HB1 1 1
3 423 1 1 9 ALA HB2 H 7.972 1.449 1.910 1.00 . A A . 9 ALA HB2 1 1
3 424 1 1 9 ALA HB3 H 7.898 -0.202 1.294 1.00 . A A . 9 ALA HB3 1 1
3 425 1 1 9 ALA N N 5.834 2.403 0.592 1.00 . A A . 9 ALA N 1 1
3 426 1 1 9 ALA O O 6.093 -1.020 -0.587 1.00 . A A . 9 ALA O 1 1
3 427 1 1 10 CYS C C 3.138 -1.764 0.166 1.00 . A A . 10 CYS C 1 1
3 428 1 1 10 CYS CA C 3.270 -0.535 -0.758 1.00 . A A . 10 CYS CA 1 1
3 429 1 1 10 CYS CB C 3.510 -0.962 -2.223 1.00 . A A . 10 CYS CB 1 1
3 430 1 1 10 CYS H H 4.060 1.290 0.000 1.00 . A A . 10 CYS H 1 1
3 431 1 1 10 CYS HA H 2.338 0.010 -0.712 1.00 . A A . 10 CYS HA 1 1
3 432 1 1 10 CYS HB2 H 3.639 -0.079 -2.831 1.00 . A A . 10 CYS HB2 1 1
3 433 1 1 10 CYS HB3 H 4.407 -1.561 -2.273 1.00 . A A . 10 CYS HB3 1 1
3 434 1 1 10 CYS N N 4.329 0.392 -0.287 1.00 . A A . 10 CYS N 1 1
3 435 1 1 10 CYS O O 2.864 -2.883 -0.289 1.00 . A A . 10 CYS O 1 1
3 436 1 1 10 CYS SG S 2.150 -1.937 -2.948 1.00 . A A . 10 CYS SG 1 1
3 437 1 1 11 THR C C 2.381 -2.130 3.687 1.00 . A A . 11 THR C 1 1
3 438 1 1 11 THR CA C 3.226 -2.588 2.481 1.00 . A A . 11 THR CA 1 1
3 439 1 1 11 THR CB C 4.639 -3.035 2.952 1.00 . A A . 11 THR CB 1 1
3 440 1 1 11 THR CG2 C 4.633 -4.488 3.419 1.00 . A A . 11 THR CG2 1 1
3 441 1 1 11 THR H H 3.513 -0.613 1.763 1.00 . A A . 11 THR H 1 1
3 442 1 1 11 THR HA H 2.738 -3.435 2.022 1.00 . A A . 11 THR HA 1 1
3 443 1 1 11 THR HB H 4.941 -2.408 3.779 1.00 . A A . 11 THR HB 1 1
3 444 1 1 11 THR HG1 H 5.838 -1.969 1.800 1.00 . A A . 11 THR HG1 1 1
3 445 1 1 11 THR HG21 H 4.323 -5.126 2.605 1.00 . A A . 11 THR HG21 1 1
3 446 1 1 11 THR HG22 H 3.945 -4.597 4.245 1.00 . A A . 11 THR HG22 1 1
3 447 1 1 11 THR HG23 H 5.626 -4.767 3.739 1.00 . A A . 11 THR HG23 1 1
3 448 1 1 11 THR N N 3.317 -1.528 1.472 1.00 . A A . 11 THR N 1 1
3 449 1 1 11 THR O O 2.668 -2.482 4.839 1.00 . A A . 11 THR O 1 1
3 450 1 1 11 THR OG1 O 5.588 -2.892 1.886 1.00 . A A . 11 THR OG1 1 1
3 451 1 1 12 GLY C C -1.013 -0.884 4.006 1.00 . A A . 12 GLY C 1 1
3 452 1 1 12 GLY CA C 0.436 -0.861 4.439 1.00 . A A . 12 GLY CA 1 1
3 453 1 1 12 GLY H H 1.147 -1.136 2.461 1.00 . A A . 12 GLY H 1 1
3 454 1 1 12 GLY HA2 H 0.551 -1.473 5.321 1.00 . A A . 12 GLY HA2 1 1
3 455 1 1 12 GLY HA3 H 0.709 0.148 4.682 1.00 . A A . 12 GLY HA3 1 1
3 456 1 1 12 GLY N N 1.326 -1.361 3.398 1.00 . A A . 12 GLY N 1 1
3 457 1 1 12 GLY O O -1.566 0.142 3.599 1.00 . A A . 12 GLY O 1 1
3 458 1 1 13 CYS C C -3.931 -2.261 4.932 1.00 . A A . 13 CYS C 1 1
3 459 1 1 13 CYS CA C -3.013 -2.272 3.710 1.00 . A A . 13 CYS CA 1 1
3 460 1 1 13 CYS CB C -3.159 -3.591 2.943 1.00 . A A . 13 CYS CB 1 1
3 461 1 1 13 CYS H H -1.106 -2.822 4.448 1.00 . A A . 13 CYS H 1 1
3 462 1 1 13 CYS HA H -3.296 -1.458 3.057 1.00 . A A . 13 CYS HA 1 1
3 463 1 1 13 CYS HB2 H -2.640 -4.370 3.482 1.00 . A A . 13 CYS HB2 1 1
3 464 1 1 13 CYS HB3 H -4.207 -3.845 2.877 1.00 . A A . 13 CYS HB3 1 1
3 465 1 1 13 CYS N N -1.618 -2.065 4.100 1.00 . A A . 13 CYS N 1 1
3 466 1 1 13 CYS O O -4.827 -1.393 4.987 1.00 . A A . 13 CYS O 1 1
3 467 1 1 13 CYS OXT O -3.742 -3.113 5.828 1.00 . A A . 13 CYS OXT 1 1
3 468 1 1 13 CYS SG S -2.488 -3.553 1.247 1.00 . A A . 13 CYS SG 1 1
4 469 1 1 1 CYS C C -0.889 2.103 -4.720 1.00 . A A . 1 CYS C 1 1
4 470 1 1 1 CYS CA C -0.811 3.098 -3.567 1.00 . A A . 1 CYS CA 1 1
4 471 1 1 1 CYS CB C -2.177 3.757 -3.358 1.00 . A A . 1 CYS CB 1 1
4 472 1 1 1 CYS H1 H -0.011 4.655 -4.702 1.00 . A A . 1 CYS H1 1 1
4 473 1 1 1 CYS H2 H 1.154 3.689 -3.947 1.00 . A A . 1 CYS H2 1 1
4 474 1 1 1 CYS H3 H 0.265 4.806 -3.039 1.00 . A A . 1 CYS H3 1 1
4 475 1 1 1 CYS HA H -0.534 2.567 -2.668 1.00 . A A . 1 CYS HA 1 1
4 476 1 1 1 CYS HB2 H -2.505 4.190 -4.292 1.00 . A A . 1 CYS HB2 1 1
4 477 1 1 1 CYS HB3 H -2.887 3.005 -3.047 1.00 . A A . 1 CYS HB3 1 1
4 478 1 1 1 CYS N N 0.221 4.134 -3.832 1.00 . A A . 1 CYS N 1 1
4 479 1 1 1 CYS O O -0.941 2.501 -5.887 1.00 . A A . 1 CYS O 1 1
4 480 1 1 1 CYS SG S -2.184 5.080 -2.104 1.00 . A A . 1 CYS SG 1 1
4 481 1 1 2 CYS C C -2.413 -0.749 -5.542 1.00 . A A . 2 CYS C 1 1
4 482 1 1 2 CYS CA C -0.970 -0.260 -5.376 1.00 . A A . 2 CYS CA 1 1
4 483 1 1 2 CYS CB C -0.049 -1.422 -4.978 1.00 . A A . 2 CYS CB 1 1
4 484 1 1 2 CYS H H -0.851 0.570 -3.430 1.00 . A A . 2 CYS H 1 1
4 485 1 1 2 CYS HA H -0.633 0.146 -6.318 1.00 . A A . 2 CYS HA 1 1
4 486 1 1 2 CYS HB2 H -0.435 -1.888 -4.084 1.00 . A A . 2 CYS HB2 1 1
4 487 1 1 2 CYS HB3 H -0.032 -2.147 -5.778 1.00 . A A . 2 CYS HB3 1 1
4 488 1 1 2 CYS N N -0.896 0.810 -4.379 1.00 . A A . 2 CYS N 1 1
4 489 1 1 2 CYS O O -2.944 -0.759 -6.656 1.00 . A A . 2 CYS O 1 1
4 490 1 1 2 CYS SG S 1.673 -0.925 -4.641 1.00 . A A . 2 CYS SG 1 1
4 491 1 1 3 GLU C C -5.105 -1.242 -3.099 1.00 . A A . 3 GLU C 1 1
4 492 1 1 3 GLU CA C -4.420 -1.637 -4.410 1.00 . A A . 3 GLU CA 1 1
4 493 1 1 3 GLU CB C -4.471 -3.163 -4.609 1.00 . A A . 3 GLU CB 1 1
4 494 1 1 3 GLU CD C -4.336 -5.105 -6.219 1.00 . A A . 3 GLU CD 1 1
4 495 1 1 3 GLU CG C -4.280 -3.599 -6.053 1.00 . A A . 3 GLU CG 1 1
4 496 1 1 3 GLU H H -2.541 -1.124 -3.575 1.00 . A A . 3 GLU H 1 1
4 497 1 1 3 GLU HA H -4.940 -1.159 -5.228 1.00 . A A . 3 GLU HA 1 1
4 498 1 1 3 GLU HB2 H -3.691 -3.616 -4.014 1.00 . A A . 3 GLU HB2 1 1
4 499 1 1 3 GLU HB3 H -5.427 -3.526 -4.266 1.00 . A A . 3 GLU HB3 1 1
4 500 1 1 3 GLU HG2 H -5.060 -3.157 -6.655 1.00 . A A . 3 GLU HG2 1 1
4 501 1 1 3 GLU HG3 H -3.319 -3.249 -6.397 1.00 . A A . 3 GLU HG3 1 1
4 502 1 1 3 GLU N N -3.034 -1.153 -4.422 1.00 . A A . 3 GLU N 1 1
4 503 1 1 3 GLU O O -6.021 -0.415 -3.096 1.00 . A A . 3 GLU O 1 1
4 504 1 1 3 GLU OE1 O -5.444 -5.637 -6.443 1.00 . A A . 3 GLU OE1 1 1
4 505 1 1 3 GLU OE2 O -3.272 -5.752 -6.126 1.00 . A A . 3 GLU OE2 1 1
4 506 1 1 4 LEU C C -4.137 -0.856 0.208 1.00 . A A . 4 LEU C 1 1
4 507 1 1 4 LEU CA C -5.184 -1.558 -0.658 1.00 . A A . 4 LEU CA 1 1
4 508 1 1 4 LEU CB C -5.642 -2.855 0.029 1.00 . A A . 4 LEU CB 1 1
4 509 1 1 4 LEU CD1 C -6.618 -5.135 -0.349 1.00 . A A . 4 LEU CD1 1 1
4 510 1 1 4 LEU CD2 C -8.110 -3.132 -0.409 1.00 . A A . 4 LEU CD2 1 1
4 511 1 1 4 LEU CG C -6.714 -3.663 -0.717 1.00 . A A . 4 LEU CG 1 1
4 512 1 1 4 LEU H H -3.940 -2.513 -2.082 1.00 . A A . 4 LEU H 1 1
4 513 1 1 4 LEU HA H -6.032 -0.903 -0.776 1.00 . A A . 4 LEU HA 1 1
4 514 1 1 4 LEU HB2 H -4.777 -3.487 0.163 1.00 . A A . 4 LEU HB2 1 1
4 515 1 1 4 LEU HB3 H -6.032 -2.599 1.003 1.00 . A A . 4 LEU HB3 1 1
4 516 1 1 4 LEU HD11 H -7.385 -5.687 -0.872 1.00 . A A . 4 LEU HD11 1 1
4 517 1 1 4 LEU HD12 H -6.754 -5.250 0.716 1.00 . A A . 4 LEU HD12 1 1
4 518 1 1 4 LEU HD13 H -5.647 -5.514 -0.631 1.00 . A A . 4 LEU HD13 1 1
4 519 1 1 4 LEU HD21 H -8.178 -2.099 -0.715 1.00 . A A . 4 LEU HD21 1 1
4 520 1 1 4 LEU HD22 H -8.298 -3.207 0.652 1.00 . A A . 4 LEU HD22 1 1
4 521 1 1 4 LEU HD23 H -8.843 -3.716 -0.946 1.00 . A A . 4 LEU HD23 1 1
4 522 1 1 4 LEU HG H -6.545 -3.572 -1.781 1.00 . A A . 4 LEU HG 1 1
4 523 1 1 4 LEU N N -4.648 -1.843 -1.993 1.00 . A A . 4 LEU N 1 1
4 524 1 1 4 LEU O O -4.477 -0.174 1.179 1.00 . A A . 4 LEU O 1 1
4 525 1 1 5 CYS C C -1.405 0.936 0.011 1.00 . A A . 5 CYS C 1 1
4 526 1 1 5 CYS CA C -1.731 -0.438 0.551 1.00 . A A . 5 CYS CA 1 1
4 527 1 1 5 CYS CB C -0.497 -1.350 0.468 1.00 . A A . 5 CYS CB 1 1
4 528 1 1 5 CYS H H -2.679 -1.598 -0.940 1.00 . A A . 5 CYS H 1 1
4 529 1 1 5 CYS HA H -2.009 -0.311 1.575 1.00 . A A . 5 CYS HA 1 1
4 530 1 1 5 CYS HB2 H -0.354 -1.651 -0.557 1.00 . A A . 5 CYS HB2 1 1
4 531 1 1 5 CYS HB3 H 0.369 -0.792 0.793 1.00 . A A . 5 CYS HB3 1 1
4 532 1 1 5 CYS N N -2.862 -1.036 -0.162 1.00 . A A . 5 CYS N 1 1
4 533 1 1 5 CYS O O -1.010 1.094 -1.151 1.00 . A A . 5 CYS O 1 1
4 534 1 1 5 CYS SG S -0.583 -2.872 1.477 1.00 . A A . 5 CYS SG 1 1
4 535 1 1 6 CYS C C -0.114 3.844 1.307 1.00 . A A . 6 CYS C 1 1
4 536 1 1 6 CYS CA C -1.322 3.302 0.525 1.00 . A A . 6 CYS CA 1 1
4 537 1 1 6 CYS CB C -2.572 4.155 0.760 1.00 . A A . 6 CYS CB 1 1
4 538 1 1 6 CYS H H -1.929 1.728 1.773 1.00 . A A . 6 CYS H 1 1
4 539 1 1 6 CYS HA H -1.089 3.299 -0.518 1.00 . A A . 6 CYS HA 1 1
4 540 1 1 6 CYS HB2 H -3.209 3.656 1.474 1.00 . A A . 6 CYS HB2 1 1
4 541 1 1 6 CYS HB3 H -2.274 5.110 1.159 1.00 . A A . 6 CYS HB3 1 1
4 542 1 1 6 CYS N N -1.593 1.930 0.876 1.00 . A A . 6 CYS N 1 1
4 543 1 1 6 CYS O O -0.045 5.034 1.642 1.00 . A A . 6 CYS O 1 1
4 544 1 1 6 CYS SG S -3.557 4.457 -0.743 1.00 . A A . 6 CYS SG 1 1
4 545 1 1 7 ASN C C 3.189 3.689 1.330 1.00 . A A . 7 ASN C 1 1
4 546 1 1 7 ASN CA C 2.061 3.273 2.299 1.00 . A A . 7 ASN CA 1 1
4 547 1 1 7 ASN CB C 2.459 2.026 3.085 1.00 . A A . 7 ASN CB 1 1
4 548 1 1 7 ASN CG C 2.757 2.257 4.542 1.00 . A A . 7 ASN CG 1 1
4 549 1 1 7 ASN H H 0.738 2.031 1.251 1.00 . A A . 7 ASN H 1 1
4 550 1 1 7 ASN HA H 1.846 4.078 2.981 1.00 . A A . 7 ASN HA 1 1
4 551 1 1 7 ASN HB2 H 1.656 1.326 3.041 1.00 . A A . 7 ASN HB2 1 1
4 552 1 1 7 ASN HB3 H 3.322 1.587 2.628 1.00 . A A . 7 ASN HB3 1 1
4 553 1 1 7 ASN HD21 H 3.298 0.359 4.691 1.00 . A A . 7 ASN HD21 1 1
4 554 1 1 7 ASN HD22 H 3.384 1.285 6.127 1.00 . A A . 7 ASN HD22 1 1
4 555 1 1 7 ASN N N 0.848 2.951 1.566 1.00 . A A . 7 ASN N 1 1
4 556 1 1 7 ASN ND2 N 3.196 1.197 5.189 1.00 . A A . 7 ASN ND2 1 1
4 557 1 1 7 ASN O O 3.075 3.433 0.127 1.00 . A A . 7 ASN O 1 1
4 558 1 1 7 ASN OD1 O 2.583 3.352 5.085 1.00 . A A . 7 ASN OD1 1 1
4 559 1 1 8 PRO C C 6.392 3.614 0.630 1.00 . A A . 8 PRO C 1 1
4 560 1 1 8 PRO CA C 5.419 4.759 0.956 1.00 . A A . 8 PRO CA 1 1
4 561 1 1 8 PRO CB C 6.110 5.866 1.787 1.00 . A A . 8 PRO CB 1 1
4 562 1 1 8 PRO CD C 4.562 4.719 3.214 1.00 . A A . 8 PRO CD 1 1
4 563 1 1 8 PRO CG C 5.299 6.013 3.042 1.00 . A A . 8 PRO CG 1 1
4 564 1 1 8 PRO HA H 5.052 5.168 0.032 1.00 . A A . 8 PRO HA 1 1
4 565 1 1 8 PRO HB2 H 7.127 5.564 2.004 1.00 . A A . 8 PRO HB2 1 1
4 566 1 1 8 PRO HB3 H 6.117 6.788 1.229 1.00 . A A . 8 PRO HB3 1 1
4 567 1 1 8 PRO HD2 H 5.186 3.989 3.708 1.00 . A A . 8 PRO HD2 1 1
4 568 1 1 8 PRO HD3 H 3.640 4.861 3.756 1.00 . A A . 8 PRO HD3 1 1
4 569 1 1 8 PRO HG2 H 5.954 6.190 3.884 1.00 . A A . 8 PRO HG2 1 1
4 570 1 1 8 PRO HG3 H 4.595 6.824 2.934 1.00 . A A . 8 PRO HG3 1 1
4 571 1 1 8 PRO N N 4.299 4.332 1.819 1.00 . A A . 8 PRO N 1 1
4 572 1 1 8 PRO O O 7.588 3.826 0.398 1.00 . A A . 8 PRO O 1 1
4 573 1 1 9 ALA C C 5.644 0.073 -0.228 1.00 . A A . 9 ALA C 1 1
4 574 1 1 9 ALA CA C 6.581 1.168 0.301 1.00 . A A . 9 ALA CA 1 1
4 575 1 1 9 ALA CB C 7.315 0.672 1.548 1.00 . A A . 9 ALA CB 1 1
4 576 1 1 9 ALA H H 4.871 2.339 0.754 1.00 . A A . 9 ALA H 1 1
4 577 1 1 9 ALA HA H 7.317 1.395 -0.457 1.00 . A A . 9 ALA HA 1 1
4 578 1 1 9 ALA HB1 H 6.595 0.418 2.313 1.00 . A A . 9 ALA HB1 1 1
4 579 1 1 9 ALA HB2 H 7.969 1.449 1.914 1.00 . A A . 9 ALA HB2 1 1
4 580 1 1 9 ALA HB3 H 7.898 -0.202 1.299 1.00 . A A . 9 ALA HB3 1 1
4 581 1 1 9 ALA N N 5.834 2.401 0.592 1.00 . A A . 9 ALA N 1 1
4 582 1 1 9 ALA O O 6.093 -1.022 -0.583 1.00 . A A . 9 ALA O 1 1
4 583 1 1 10 CYS C C 3.137 -1.765 0.168 1.00 . A A . 10 CYS C 1 1
4 584 1 1 10 CYS CA C 3.270 -0.537 -0.756 1.00 . A A . 10 CYS CA 1 1
4 585 1 1 10 CYS CB C 3.510 -0.965 -2.221 1.00 . A A . 10 CYS CB 1 1
4 586 1 1 10 CYS H H 4.060 1.289 0.001 1.00 . A A . 10 CYS H 1 1
4 587 1 1 10 CYS HA H 2.338 0.008 -0.711 1.00 . A A . 10 CYS HA 1 1
4 588 1 1 10 CYS HB2 H 3.641 -0.083 -2.829 1.00 . A A . 10 CYS HB2 1 1
4 589 1 1 10 CYS HB3 H 4.407 -1.565 -2.270 1.00 . A A . 10 CYS HB3 1 1
4 590 1 1 10 CYS N N 4.329 0.391 -0.286 1.00 . A A . 10 CYS N 1 1
4 591 1 1 10 CYS O O 2.861 -2.884 -0.286 1.00 . A A . 10 CYS O 1 1
4 592 1 1 10 CYS SG S 2.149 -1.938 -2.946 1.00 . A A . 10 CYS SG 1 1
4 593 1 1 11 THR C C 2.379 -2.129 3.689 1.00 . A A . 11 THR C 1 1
4 594 1 1 11 THR CA C 3.225 -2.588 2.484 1.00 . A A . 11 THR CA 1 1
4 595 1 1 11 THR CB C 4.638 -3.034 2.956 1.00 . A A . 11 THR CB 1 1
4 596 1 1 11 THR CG2 C 4.631 -4.487 3.424 1.00 . A A . 11 THR CG2 1 1
4 597 1 1 11 THR H H 3.513 -0.614 1.765 1.00 . A A . 11 THR H 1 1
4 598 1 1 11 THR HA H 2.737 -3.435 2.026 1.00 . A A . 11 THR HA 1 1
4 599 1 1 11 THR HB H 4.939 -2.407 3.783 1.00 . A A . 11 THR HB 1 1
4 600 1 1 11 THR HG1 H 5.536 -3.656 1.312 1.00 . A A . 11 THR HG1 1 1
4 601 1 1 11 THR HG21 H 3.945 -4.596 4.251 1.00 . A A . 11 THR HG21 1 1
4 602 1 1 11 THR HG22 H 5.625 -4.767 3.742 1.00 . A A . 11 THR HG22 1 1
4 603 1 1 11 THR HG23 H 4.320 -5.126 2.611 1.00 . A A . 11 THR HG23 1 1
4 604 1 1 11 THR N N 3.316 -1.529 1.474 1.00 . A A . 11 THR N 1 1
4 605 1 1 11 THR O O 2.666 -2.481 4.841 1.00 . A A . 11 THR O 1 1
4 606 1 1 11 THR OG1 O 5.587 -2.892 1.891 1.00 . A A . 11 THR OG1 1 1
4 607 1 1 12 GLY C C -1.015 -0.883 4.006 1.00 . A A . 12 GLY C 1 1
4 608 1 1 12 GLY CA C 0.435 -0.858 4.439 1.00 . A A . 12 GLY CA 1 1
4 609 1 1 12 GLY H H 1.147 -1.135 2.462 1.00 . A A . 12 GLY H 1 1
4 610 1 1 12 GLY HA2 H 0.550 -1.469 5.322 1.00 . A A . 12 GLY HA2 1 1
4 611 1 1 12 GLY HA3 H 0.707 0.151 4.681 1.00 . A A . 12 GLY HA3 1 1
4 612 1 1 12 GLY N N 1.325 -1.359 3.399 1.00 . A A . 12 GLY N 1 1
4 613 1 1 12 GLY O O -1.568 0.142 3.600 1.00 . A A . 12 GLY O 1 1
4 614 1 1 13 CYS C C -3.931 -2.265 4.929 1.00 . A A . 13 CYS C 1 1
4 615 1 1 13 CYS CA C -3.012 -2.274 3.708 1.00 . A A . 13 CYS CA 1 1
4 616 1 1 13 CYS CB C -3.156 -3.594 2.941 1.00 . A A . 13 CYS CB 1 1
4 617 1 1 13 CYS H H -1.104 -2.822 4.446 1.00 . A A . 13 CYS H 1 1
4 618 1 1 13 CYS HA H -3.295 -1.461 3.055 1.00 . A A . 13 CYS HA 1 1
4 619 1 1 13 CYS HB2 H -2.637 -4.372 3.480 1.00 . A A . 13 CYS HB2 1 1
4 620 1 1 13 CYS HB3 H -4.204 -3.849 2.874 1.00 . A A . 13 CYS HB3 1 1
4 621 1 1 13 CYS N N -1.617 -2.066 4.099 1.00 . A A . 13 CYS N 1 1
4 622 1 1 13 CYS O O -4.828 -1.398 4.984 1.00 . A A . 13 CYS O 1 1
4 623 1 1 13 CYS OXT O -3.740 -3.116 5.826 1.00 . A A . 13 CYS OXT 1 1
4 624 1 1 13 CYS SG S -2.483 -3.555 1.245 1.00 . A A . 13 CYS SG 1 1
5 625 1 1 1 CYS C C -0.888 2.101 -4.718 1.00 . A A . 1 CYS C 1 1
5 626 1 1 1 CYS CA C -0.809 3.095 -3.564 1.00 . A A . 1 CYS CA 1 1
5 627 1 1 1 CYS CB C -2.173 3.759 -3.359 1.00 . A A . 1 CYS CB 1 1
5 628 1 1 1 CYS H1 H 1.159 3.676 -3.938 1.00 . A A . 1 CYS H1 1 1
5 629 1 1 1 CYS H2 H 0.273 4.797 -3.032 1.00 . A A . 1 CYS H2 1 1
5 630 1 1 1 CYS H3 H 0.000 4.650 -4.695 1.00 . A A . 1 CYS H3 1 1
5 631 1 1 1 CYS HA H -0.536 2.561 -2.665 1.00 . A A . 1 CYS HA 1 1
5 632 1 1 1 CYS HB2 H -2.496 4.195 -4.292 1.00 . A A . 1 CYS HB2 1 1
5 633 1 1 1 CYS HB3 H -2.887 3.009 -3.051 1.00 . A A . 1 CYS HB3 1 1
5 634 1 1 1 CYS N N 0.228 4.126 -3.825 1.00 . A A . 1 CYS N 1 1
5 635 1 1 1 CYS O O -0.940 2.500 -5.885 1.00 . A A . 1 CYS O 1 1
5 636 1 1 1 CYS SG S -2.178 5.079 -2.101 1.00 . A A . 1 CYS SG 1 1
5 637 1 1 2 CYS C C -2.414 -0.750 -5.543 1.00 . A A . 2 CYS C 1 1
5 638 1 1 2 CYS CA C -0.970 -0.262 -5.376 1.00 . A A . 2 CYS CA 1 1
5 639 1 1 2 CYS CB C -0.050 -1.424 -4.980 1.00 . A A . 2 CYS CB 1 1
5 640 1 1 2 CYS H H -0.850 0.566 -3.430 1.00 . A A . 2 CYS H 1 1
5 641 1 1 2 CYS HA H -0.634 0.145 -6.319 1.00 . A A . 2 CYS HA 1 1
5 642 1 1 2 CYS HB2 H -0.437 -1.891 -4.086 1.00 . A A . 2 CYS HB2 1 1
5 643 1 1 2 CYS HB3 H -0.035 -2.150 -5.780 1.00 . A A . 2 CYS HB3 1 1
5 644 1 1 2 CYS N N -0.896 0.807 -4.379 1.00 . A A . 2 CYS N 1 1
5 645 1 1 2 CYS O O -2.945 -0.760 -6.657 1.00 . A A . 2 CYS O 1 1
5 646 1 1 2 CYS SG S 1.672 -0.930 -4.645 1.00 . A A . 2 CYS SG 1 1
5 647 1 1 3 GLU C C -5.106 -1.241 -3.099 1.00 . A A . 3 GLU C 1 1
5 648 1 1 3 GLU CA C -4.421 -1.637 -4.411 1.00 . A A . 3 GLU CA 1 1
5 649 1 1 3 GLU CB C -4.473 -3.163 -4.610 1.00 . A A . 3 GLU CB 1 1
5 650 1 1 3 GLU CD C -4.340 -5.104 -6.220 1.00 . A A . 3 GLU CD 1 1
5 651 1 1 3 GLU CG C -4.283 -3.598 -6.054 1.00 . A A . 3 GLU CG 1 1
5 652 1 1 3 GLU H H -2.542 -1.124 -3.576 1.00 . A A . 3 GLU H 1 1
5 653 1 1 3 GLU HA H -4.941 -1.158 -5.229 1.00 . A A . 3 GLU HA 1 1
5 654 1 1 3 GLU HB2 H -3.693 -3.616 -4.015 1.00 . A A . 3 GLU HB2 1 1
5 655 1 1 3 GLU HB3 H -5.430 -3.525 -4.267 1.00 . A A . 3 GLU HB3 1 1
5 656 1 1 3 GLU HG2 H -5.063 -3.156 -6.656 1.00 . A A . 3 GLU HG2 1 1
5 657 1 1 3 GLU HG3 H -3.321 -3.248 -6.398 1.00 . A A . 3 GLU HG3 1 1
5 658 1 1 3 GLU N N -3.035 -1.154 -4.422 1.00 . A A . 3 GLU N 1 1
5 659 1 1 3 GLU O O -6.022 -0.414 -3.097 1.00 . A A . 3 GLU O 1 1
5 660 1 1 3 GLU OE1 O -3.276 -5.752 -6.127 1.00 . A A . 3 GLU OE1 1 1
5 661 1 1 3 GLU OE2 O -5.448 -5.635 -6.444 1.00 . A A . 3 GLU OE2 1 1
5 662 1 1 4 LEU C C -4.138 -0.856 0.208 1.00 . A A . 4 LEU C 1 1
5 663 1 1 4 LEU CA C -5.186 -1.557 -0.659 1.00 . A A . 4 LEU CA 1 1
5 664 1 1 4 LEU CB C -5.645 -2.854 0.028 1.00 . A A . 4 LEU CB 1 1
5 665 1 1 4 LEU CD1 C -6.622 -5.134 -0.351 1.00 . A A . 4 LEU CD1 1 1
5 666 1 1 4 LEU CD2 C -8.113 -3.130 -0.412 1.00 . A A . 4 LEU CD2 1 1
5 667 1 1 4 LEU CG C -6.717 -3.661 -0.719 1.00 . A A . 4 LEU CG 1 1
5 668 1 1 4 LEU H H -3.942 -2.512 -2.083 1.00 . A A . 4 LEU H 1 1
5 669 1 1 4 LEU HA H -6.033 -0.902 -0.776 1.00 . A A . 4 LEU HA 1 1
5 670 1 1 4 LEU HB2 H -4.780 -3.486 0.162 1.00 . A A . 4 LEU HB2 1 1
5 671 1 1 4 LEU HB3 H -6.035 -2.598 1.001 1.00 . A A . 4 LEU HB3 1 1
5 672 1 1 4 LEU HD11 H -5.651 -5.513 -0.631 1.00 . A A . 4 LEU HD11 1 1
5 673 1 1 4 LEU HD12 H -7.389 -5.685 -0.875 1.00 . A A . 4 LEU HD12 1 1
5 674 1 1 4 LEU HD13 H -6.761 -5.248 0.714 1.00 . A A . 4 LEU HD13 1 1
5 675 1 1 4 LEU HD21 H -8.181 -2.097 -0.721 1.00 . A A . 4 LEU HD21 1 1
5 676 1 1 4 LEU HD22 H -8.300 -3.201 0.649 1.00 . A A . 4 LEU HD22 1 1
5 677 1 1 4 LEU HD23 H -8.846 -3.714 -0.948 1.00 . A A . 4 LEU HD23 1 1
5 678 1 1 4 LEU HG H -6.547 -3.570 -1.783 1.00 . A A . 4 LEU HG 1 1
5 679 1 1 4 LEU N N -4.650 -1.842 -1.993 1.00 . A A . 4 LEU N 1 1
5 680 1 1 4 LEU O O -4.479 -0.174 1.179 1.00 . A A . 4 LEU O 1 1
5 681 1 1 5 CYS C C -1.405 0.934 0.013 1.00 . A A . 5 CYS C 1 1
5 682 1 1 5 CYS CA C -1.732 -0.440 0.551 1.00 . A A . 5 CYS CA 1 1
5 683 1 1 5 CYS CB C -0.499 -1.353 0.468 1.00 . A A . 5 CYS CB 1 1
5 684 1 1 5 CYS H H -2.681 -1.599 -0.939 1.00 . A A . 5 CYS H 1 1
5 685 1 1 5 CYS HA H -2.010 -0.314 1.576 1.00 . A A . 5 CYS HA 1 1
5 686 1 1 5 CYS HB2 H -0.357 -1.654 -0.558 1.00 . A A . 5 CYS HB2 1 1
5 687 1 1 5 CYS HB3 H 0.368 -0.795 0.792 1.00 . A A . 5 CYS HB3 1 1
5 688 1 1 5 CYS N N -2.863 -1.037 -0.162 1.00 . A A . 5 CYS N 1 1
5 689 1 1 5 CYS O O -1.011 1.093 -1.149 1.00 . A A . 5 CYS O 1 1
5 690 1 1 5 CYS SG S -0.586 -2.875 1.477 1.00 . A A . 5 CYS SG 1 1
5 691 1 1 6 CYS C C -0.113 3.841 1.310 1.00 . A A . 6 CYS C 1 1
5 692 1 1 6 CYS CA C -1.320 3.300 0.528 1.00 . A A . 6 CYS CA 1 1
5 693 1 1 6 CYS CB C -2.570 4.154 0.761 1.00 . A A . 6 CYS CB 1 1
5 694 1 1 6 CYS H H -1.928 1.725 1.775 1.00 . A A . 6 CYS H 1 1
5 695 1 1 6 CYS HA H -1.087 3.296 -0.515 1.00 . A A . 6 CYS HA 1 1
5 696 1 1 6 CYS HB2 H -3.208 3.654 1.475 1.00 . A A . 6 CYS HB2 1 1
5 697 1 1 6 CYS HB3 H -2.272 5.108 1.162 1.00 . A A . 6 CYS HB3 1 1
5 698 1 1 6 CYS N N -1.592 1.927 0.878 1.00 . A A . 6 CYS N 1 1
5 699 1 1 6 CYS O O -0.045 5.030 1.649 1.00 . A A . 6 CYS O 1 1
5 700 1 1 6 CYS SG S -3.553 4.456 -0.743 1.00 . A A . 6 CYS SG 1 1
5 701 1 1 7 ASN C C 3.191 3.687 1.332 1.00 . A A . 7 ASN C 1 1
5 702 1 1 7 ASN CA C 2.063 3.269 2.301 1.00 . A A . 7 ASN CA 1 1
5 703 1 1 7 ASN CB C 2.463 2.021 3.084 1.00 . A A . 7 ASN CB 1 1
5 704 1 1 7 ASN CG C 2.762 2.250 4.542 1.00 . A A . 7 ASN CG 1 1
5 705 1 1 7 ASN H H 0.742 2.029 1.250 1.00 . A A . 7 ASN H 1 1
5 706 1 1 7 ASN HA H 1.848 4.074 2.984 1.00 . A A . 7 ASN HA 1 1
5 707 1 1 7 ASN HB2 H 1.660 1.322 3.040 1.00 . A A . 7 ASN HB2 1 1
5 708 1 1 7 ASN HB3 H 3.325 1.584 2.626 1.00 . A A . 7 ASN HB3 1 1
5 709 1 1 7 ASN HD21 H 3.306 0.352 4.686 1.00 . A A . 7 ASN HD21 1 1
5 710 1 1 7 ASN HD22 H 3.392 1.276 6.124 1.00 . A A . 7 ASN HD22 1 1
5 711 1 1 7 ASN N N 0.851 2.948 1.567 1.00 . A A . 7 ASN N 1 1
5 712 1 1 7 ASN ND2 N 3.202 1.189 5.186 1.00 . A A . 7 ASN ND2 1 1
5 713 1 1 7 ASN O O 3.077 3.434 0.129 1.00 . A A . 7 ASN O 1 1
5 714 1 1 7 ASN OD1 O 2.586 3.343 5.087 1.00 . A A . 7 ASN OD1 1 1
5 715 1 1 8 PRO C C 6.393 3.615 0.629 1.00 . A A . 8 PRO C 1 1
5 716 1 1 8 PRO CA C 5.420 4.760 0.959 1.00 . A A . 8 PRO CA 1 1
5 717 1 1 8 PRO CB C 6.111 5.865 1.793 1.00 . A A . 8 PRO CB 1 1
5 718 1 1 8 PRO CD C 4.564 4.715 3.217 1.00 . A A . 8 PRO CD 1 1
5 719 1 1 8 PRO CG C 5.301 6.009 3.048 1.00 . A A . 8 PRO CG 1 1
5 720 1 1 8 PRO HA H 5.052 5.171 0.037 1.00 . A A . 8 PRO HA 1 1
5 721 1 1 8 PRO HB2 H 7.129 5.562 2.009 1.00 . A A . 8 PRO HB2 1 1
5 722 1 1 8 PRO HB3 H 6.119 6.788 1.236 1.00 . A A . 8 PRO HB3 1 1
5 723 1 1 8 PRO HD2 H 5.188 3.984 3.710 1.00 . A A . 8 PRO HD2 1 1
5 724 1 1 8 PRO HD3 H 3.642 4.856 3.761 1.00 . A A . 8 PRO HD3 1 1
5 725 1 1 8 PRO HG2 H 5.957 6.185 3.890 1.00 . A A . 8 PRO HG2 1 1
5 726 1 1 8 PRO HG3 H 4.597 6.821 2.942 1.00 . A A . 8 PRO HG3 1 1
5 727 1 1 8 PRO N N 4.301 4.330 1.822 1.00 . A A . 8 PRO N 1 1
5 728 1 1 8 PRO O O 7.590 3.829 0.398 1.00 . A A . 8 PRO O 1 1
5 729 1 1 9 ALA C C 5.644 0.076 -0.233 1.00 . A A . 9 ALA C 1 1
5 730 1 1 9 ALA CA C 6.582 1.170 0.294 1.00 . A A . 9 ALA CA 1 1
5 731 1 1 9 ALA CB C 7.320 0.673 1.538 1.00 . A A . 9 ALA CB 1 1
5 732 1 1 9 ALA H H 4.873 2.340 0.751 1.00 . A A . 9 ALA H 1 1
5 733 1 1 9 ALA HA H 7.316 1.399 -0.466 1.00 . A A . 9 ALA HA 1 1
5 734 1 1 9 ALA HB1 H 7.902 -0.202 1.286 1.00 . A A . 9 ALA HB1 1 1
5 735 1 1 9 ALA HB2 H 6.604 0.419 2.305 1.00 . A A . 9 ALA HB2 1 1
5 736 1 1 9 ALA HB3 H 7.977 1.450 1.902 1.00 . A A . 9 ALA HB3 1 1
5 737 1 1 9 ALA N N 5.836 2.403 0.589 1.00 . A A . 9 ALA N 1 1
5 738 1 1 9 ALA O O 6.092 -1.020 -0.589 1.00 . A A . 9 ALA O 1 1
5 739 1 1 10 CYS C C 3.137 -1.761 0.168 1.00 . A A . 10 CYS C 1 1
5 740 1 1 10 CYS CA C 3.269 -0.533 -0.757 1.00 . A A . 10 CYS CA 1 1
5 741 1 1 10 CYS CB C 3.507 -0.963 -2.222 1.00 . A A . 10 CYS CB 1 1
5 742 1 1 10 CYS H H 4.060 1.292 -0.002 1.00 . A A . 10 CYS H 1 1
5 743 1 1 10 CYS HA H 2.337 0.012 -0.712 1.00 . A A . 10 CYS HA 1 1
5 744 1 1 10 CYS HB2 H 3.637 -0.081 -2.831 1.00 . A A . 10 CYS HB2 1 1
5 745 1 1 10 CYS HB3 H 4.404 -1.563 -2.272 1.00 . A A . 10 CYS HB3 1 1
5 746 1 1 10 CYS N N 4.329 0.394 -0.289 1.00 . A A . 10 CYS N 1 1
5 747 1 1 10 CYS O O 2.860 -2.880 -0.285 1.00 . A A . 10 CYS O 1 1
5 748 1 1 10 CYS SG S 2.145 -1.937 -2.945 1.00 . A A . 10 CYS SG 1 1
5 749 1 1 11 THR C C 2.379 -2.123 3.688 1.00 . A A . 11 THR C 1 1
5 750 1 1 11 THR CA C 3.226 -2.582 2.484 1.00 . A A . 11 THR CA 1 1
5 751 1 1 11 THR CB C 4.639 -3.026 2.958 1.00 . A A . 11 THR CB 1 1
5 752 1 1 11 THR CG2 C 4.634 -4.479 3.426 1.00 . A A . 11 THR CG2 1 1
5 753 1 1 11 THR H H 3.514 -0.609 1.764 1.00 . A A . 11 THR H 1 1
5 754 1 1 11 THR HA H 2.740 -3.430 2.026 1.00 . A A . 11 THR HA 1 1
5 755 1 1 11 THR HB H 4.939 -2.399 3.784 1.00 . A A . 11 THR HB 1 1
5 756 1 1 11 THR HG1 H 5.183 -3.146 1.063 1.00 . A A . 11 THR HG1 1 1
5 757 1 1 11 THR HG21 H 4.322 -5.118 2.613 1.00 . A A . 11 THR HG21 1 1
5 758 1 1 11 THR HG22 H 3.949 -4.588 4.253 1.00 . A A . 11 THR HG22 1 1
5 759 1 1 11 THR HG23 H 5.628 -4.758 3.743 1.00 . A A . 11 THR HG23 1 1
5 760 1 1 11 THR N N 3.317 -1.523 1.474 1.00 . A A . 11 THR N 1 1
5 761 1 1 11 THR O O 2.667 -2.472 4.841 1.00 . A A . 11 THR O 1 1
5 762 1 1 11 THR OG1 O 5.589 -2.883 1.893 1.00 . A A . 11 THR OG1 1 1
5 763 1 1 12 GLY C C -1.018 -0.883 4.003 1.00 . A A . 12 GLY C 1 1
5 764 1 1 12 GLY CA C 0.431 -0.856 4.437 1.00 . A A . 12 GLY CA 1 1
5 765 1 1 12 GLY H H 1.144 -1.134 2.460 1.00 . A A . 12 GLY H 1 1
5 766 1 1 12 GLY HA2 H 0.546 -1.467 5.320 1.00 . A A . 12 GLY HA2 1 1
5 767 1 1 12 GLY HA3 H 0.702 0.153 4.679 1.00 . A A . 12 GLY HA3 1 1
5 768 1 1 12 GLY N N 1.323 -1.357 3.398 1.00 . A A . 12 GLY N 1 1
5 769 1 1 12 GLY O O -1.572 0.141 3.593 1.00 . A A . 12 GLY O 1 1
5 770 1 1 13 CYS C C -3.934 -2.266 4.930 1.00 . A A . 13 CYS C 1 1
5 771 1 1 13 CYS CA C -3.015 -2.275 3.708 1.00 . A A . 13 CYS CA 1 1
5 772 1 1 13 CYS CB C -3.158 -3.596 2.942 1.00 . A A . 13 CYS CB 1 1
5 773 1 1 13 CYS H H -1.107 -2.821 4.449 1.00 . A A . 13 CYS H 1 1
5 774 1 1 13 CYS HA H -3.299 -1.463 3.054 1.00 . A A . 13 CYS HA 1 1
5 775 1 1 13 CYS HB2 H -2.638 -4.373 3.481 1.00 . A A . 13 CYS HB2 1 1
5 776 1 1 13 CYS HB3 H -4.205 -3.851 2.875 1.00 . A A . 13 CYS HB3 1 1
5 777 1 1 13 CYS N N -1.620 -2.065 4.099 1.00 . A A . 13 CYS N 1 1
5 778 1 1 13 CYS O O -4.832 -1.400 4.984 1.00 . A A . 13 CYS O 1 1
5 779 1 1 13 CYS OXT O -3.742 -3.117 5.827 1.00 . A A . 13 CYS OXT 1 1
5 780 1 1 13 CYS SG S -2.486 -3.556 1.246 1.00 . A A . 13 CYS SG 1 1
6 781 1 1 1 CYS C C -0.885 2.104 -4.720 1.00 . A A . 1 CYS C 1 1
6 782 1 1 1 CYS CA C -0.806 3.101 -3.568 1.00 . A A . 1 CYS CA 1 1
6 783 1 1 1 CYS CB C -2.172 3.759 -3.360 1.00 . A A . 1 CYS CB 1 1
6 784 1 1 1 CYS H1 H 0.269 4.809 -3.043 1.00 . A A . 1 CYS H1 1 1
6 785 1 1 1 CYS H2 H -0.007 4.656 -4.705 1.00 . A A . 1 CYS H2 1 1
6 786 1 1 1 CYS H3 H 1.158 3.690 -3.949 1.00 . A A . 1 CYS H3 1 1
6 787 1 1 1 CYS HA H -0.528 2.570 -2.669 1.00 . A A . 1 CYS HA 1 1
6 788 1 1 1 CYS HB2 H -2.500 4.194 -4.292 1.00 . A A . 1 CYS HB2 1 1
6 789 1 1 1 CYS HB3 H -2.883 3.006 -3.051 1.00 . A A . 1 CYS HB3 1 1
6 790 1 1 1 CYS N N 0.225 4.136 -3.835 1.00 . A A . 1 CYS N 1 1
6 791 1 1 1 CYS O O -0.933 2.501 -5.888 1.00 . A A . 1 CYS O 1 1
6 792 1 1 1 CYS SG S -2.180 5.079 -2.103 1.00 . A A . 1 CYS SG 1 1
6 793 1 1 2 CYS C C -2.415 -0.746 -5.540 1.00 . A A . 2 CYS C 1 1
6 794 1 1 2 CYS CA C -0.971 -0.260 -5.373 1.00 . A A . 2 CYS CA 1 1
6 795 1 1 2 CYS CB C -0.053 -1.422 -4.973 1.00 . A A . 2 CYS CB 1 1
6 796 1 1 2 CYS H H -0.855 0.572 -3.428 1.00 . A A . 2 CYS H 1 1
6 797 1 1 2 CYS HA H -0.633 0.145 -6.316 1.00 . A A . 2 CYS HA 1 1
6 798 1 1 2 CYS HB2 H -0.440 -1.885 -4.078 1.00 . A A . 2 CYS HB2 1 1
6 799 1 1 2 CYS HB3 H -0.038 -2.150 -5.771 1.00 . A A . 2 CYS HB3 1 1
6 800 1 1 2 CYS N N -0.897 0.811 -4.378 1.00 . A A . 2 CYS N 1 1
6 801 1 1 2 CYS O O -2.946 -0.755 -6.654 1.00 . A A . 2 CYS O 1 1
6 802 1 1 2 CYS SG S 1.671 -0.930 -4.639 1.00 . A A . 2 CYS SG 1 1
6 803 1 1 3 GLU C C -5.107 -1.240 -3.095 1.00 . A A . 3 GLU C 1 1
6 804 1 1 3 GLU CA C -4.424 -1.631 -4.409 1.00 . A A . 3 GLU CA 1 1
6 805 1 1 3 GLU CB C -4.478 -3.155 -4.615 1.00 . A A . 3 GLU CB 1 1
6 806 1 1 3 GLU CD C -4.353 -5.090 -6.235 1.00 . A A . 3 GLU CD 1 1
6 807 1 1 3 GLU CG C -4.293 -3.585 -6.062 1.00 . A A . 3 GLU CG 1 1
6 808 1 1 3 GLU H H -2.545 -1.121 -3.574 1.00 . A A . 3 GLU H 1 1
6 809 1 1 3 GLU HA H -4.944 -1.148 -5.224 1.00 . A A . 3 GLU HA 1 1
6 810 1 1 3 GLU HB2 H -3.697 -3.613 -4.025 1.00 . A A . 3 GLU HB2 1 1
6 811 1 1 3 GLU HB3 H -5.434 -3.519 -4.270 1.00 . A A . 3 GLU HB3 1 1
6 812 1 1 3 GLU HG2 H -5.074 -3.138 -6.659 1.00 . A A . 3 GLU HG2 1 1
6 813 1 1 3 GLU HG3 H -3.331 -3.235 -6.407 1.00 . A A . 3 GLU HG3 1 1
6 814 1 1 3 GLU N N -3.038 -1.149 -4.420 1.00 . A A . 3 GLU N 1 1
6 815 1 1 3 GLU O O -6.022 -0.412 -3.087 1.00 . A A . 3 GLU O 1 1
6 816 1 1 3 GLU OE1 O -5.462 -5.618 -6.460 1.00 . A A . 3 GLU OE1 1 1
6 817 1 1 3 GLU OE2 O -3.290 -5.740 -6.147 1.00 . A A . 3 GLU OE2 1 1
6 818 1 1 4 LEU C C -4.135 -0.864 0.211 1.00 . A A . 4 LEU C 1 1
6 819 1 1 4 LEU CA C -5.183 -1.566 -0.655 1.00 . A A . 4 LEU CA 1 1
6 820 1 1 4 LEU CB C -5.637 -2.865 0.028 1.00 . A A . 4 LEU CB 1 1
6 821 1 1 4 LEU CD1 C -6.611 -5.146 -0.357 1.00 . A A . 4 LEU CD1 1 1
6 822 1 1 4 LEU CD2 C -8.106 -3.145 -0.400 1.00 . A A . 4 LEU CD2 1 1
6 823 1 1 4 LEU CG C -6.711 -3.672 -0.717 1.00 . A A . 4 LEU CG 1 1
6 824 1 1 4 LEU H H -3.942 -2.516 -2.085 1.00 . A A . 4 LEU H 1 1
6 825 1 1 4 LEU HA H -6.032 -0.912 -0.770 1.00 . A A . 4 LEU HA 1 1
6 826 1 1 4 LEU HB2 H -4.770 -3.497 0.157 1.00 . A A . 4 LEU HB2 1 1
6 827 1 1 4 LEU HB3 H -6.024 -2.614 1.005 1.00 . A A . 4 LEU HB3 1 1
6 828 1 1 4 LEU HD11 H -5.640 -5.522 -0.645 1.00 . A A . 4 LEU HD11 1 1
6 829 1 1 4 LEU HD12 H -7.380 -5.697 -0.878 1.00 . A A . 4 LEU HD12 1 1
6 830 1 1 4 LEU HD13 H -6.742 -5.266 0.708 1.00 . A A . 4 LEU HD13 1 1
6 831 1 1 4 LEU HD21 H -8.288 -3.222 0.661 1.00 . A A . 4 LEU HD21 1 1
6 832 1 1 4 LEU HD22 H -8.841 -3.730 -0.934 1.00 . A A . 4 LEU HD22 1 1
6 833 1 1 4 LEU HD23 H -8.179 -2.111 -0.705 1.00 . A A . 4 LEU HD23 1 1
6 834 1 1 4 LEU HG H -6.546 -3.575 -1.781 1.00 . A A . 4 LEU HG 1 1
6 835 1 1 4 LEU N N -4.649 -1.846 -1.992 1.00 . A A . 4 LEU N 1 1
6 836 1 1 4 LEU O O -4.476 -0.187 1.185 1.00 . A A . 4 LEU O 1 1
6 837 1 1 5 CYS C C -1.405 0.933 0.011 1.00 . A A . 5 CYS C 1 1
6 838 1 1 5 CYS CA C -1.730 -0.442 0.550 1.00 . A A . 5 CYS CA 1 1
6 839 1 1 5 CYS CB C -0.496 -1.353 0.467 1.00 . A A . 5 CYS CB 1 1
6 840 1 1 5 CYS H H -2.678 -1.598 -0.942 1.00 . A A . 5 CYS H 1 1
6 841 1 1 5 CYS HA H -2.008 -0.315 1.575 1.00 . A A . 5 CYS HA 1 1
6 842 1 1 5 CYS HB2 H -0.353 -1.654 -0.558 1.00 . A A . 5 CYS HB2 1 1
6 843 1 1 5 CYS HB3 H 0.370 -0.794 0.791 1.00 . A A . 5 CYS HB3 1 1
6 844 1 1 5 CYS N N -2.861 -1.040 -0.162 1.00 . A A . 5 CYS N 1 1
6 845 1 1 5 CYS O O -1.012 1.091 -1.152 1.00 . A A . 5 CYS O 1 1
6 846 1 1 5 CYS SG S -0.581 -2.875 1.476 1.00 . A A . 5 CYS SG 1 1
6 847 1 1 6 CYS C C -0.113 3.841 1.307 1.00 . A A . 6 CYS C 1 1
6 848 1 1 6 CYS CA C -1.320 3.299 0.526 1.00 . A A . 6 CYS CA 1 1
6 849 1 1 6 CYS CB C -2.570 4.152 0.760 1.00 . A A . 6 CYS CB 1 1
6 850 1 1 6 CYS H H -1.925 1.724 1.774 1.00 . A A . 6 CYS H 1 1
6 851 1 1 6 CYS HA H -1.087 3.295 -0.517 1.00 . A A . 6 CYS HA 1 1
6 852 1 1 6 CYS HB2 H -3.208 3.652 1.473 1.00 . A A . 6 CYS HB2 1 1
6 853 1 1 6 CYS HB3 H -2.273 5.106 1.160 1.00 . A A . 6 CYS HB3 1 1
6 854 1 1 6 CYS N N -1.591 1.926 0.877 1.00 . A A . 6 CYS N 1 1
6 855 1 1 6 CYS O O -0.045 5.031 1.644 1.00 . A A . 6 CYS O 1 1
6 856 1 1 6 CYS SG S -3.554 4.454 -0.744 1.00 . A A . 6 CYS SG 1 1
6 857 1 1 7 ASN C C 3.191 3.688 1.329 1.00 . A A . 7 ASN C 1 1
6 858 1 1 7 ASN CA C 2.064 3.271 2.298 1.00 . A A . 7 ASN CA 1 1
6 859 1 1 7 ASN CB C 2.463 2.025 3.084 1.00 . A A . 7 ASN CB 1 1
6 860 1 1 7 ASN CG C 2.760 2.256 4.541 1.00 . A A . 7 ASN CG 1 1
6 861 1 1 7 ASN H H 0.743 2.029 1.249 1.00 . A A . 7 ASN H 1 1
6 862 1 1 7 ASN HA H 1.849 4.077 2.980 1.00 . A A . 7 ASN HA 1 1
6 863 1 1 7 ASN HB2 H 1.660 1.325 3.040 1.00 . A A . 7 ASN HB2 1 1
6 864 1 1 7 ASN HB3 H 3.326 1.587 2.627 1.00 . A A . 7 ASN HB3 1 1
6 865 1 1 7 ASN HD21 H 3.301 0.358 4.690 1.00 . A A . 7 ASN HD21 1 1
6 866 1 1 7 ASN HD22 H 3.386 1.284 6.127 1.00 . A A . 7 ASN HD22 1 1
6 867 1 1 7 ASN N N 0.851 2.949 1.565 1.00 . A A . 7 ASN N 1 1
6 868 1 1 7 ASN ND2 N 3.198 1.196 5.188 1.00 . A A . 7 ASN ND2 1 1
6 869 1 1 7 ASN O O 3.078 3.433 0.126 1.00 . A A . 7 ASN O 1 1
6 870 1 1 7 ASN OD1 O 2.586 3.351 5.084 1.00 . A A . 7 ASN OD1 1 1
6 871 1 1 8 PRO C C 6.394 3.613 0.627 1.00 . A A . 8 PRO C 1 1
6 872 1 1 8 PRO CA C 5.421 4.758 0.955 1.00 . A A . 8 PRO CA 1 1
6 873 1 1 8 PRO CB C 6.113 5.865 1.787 1.00 . A A . 8 PRO CB 1 1
6 874 1 1 8 PRO CD C 4.565 4.718 3.213 1.00 . A A . 8 PRO CD 1 1
6 875 1 1 8 PRO CG C 5.302 6.012 3.041 1.00 . A A . 8 PRO CG 1 1
6 876 1 1 8 PRO HA H 5.054 5.169 0.032 1.00 . A A . 8 PRO HA 1 1
6 877 1 1 8 PRO HB2 H 7.130 5.562 2.003 1.00 . A A . 8 PRO HB2 1 1
6 878 1 1 8 PRO HB3 H 6.121 6.787 1.228 1.00 . A A . 8 PRO HB3 1 1
6 879 1 1 8 PRO HD2 H 5.188 3.988 3.707 1.00 . A A . 8 PRO HD2 1 1
6 880 1 1 8 PRO HD3 H 3.643 4.860 3.755 1.00 . A A . 8 PRO HD3 1 1
6 881 1 1 8 PRO HG2 H 5.958 6.189 3.883 1.00 . A A . 8 PRO HG2 1 1
6 882 1 1 8 PRO HG3 H 4.599 6.823 2.933 1.00 . A A . 8 PRO HG3 1 1
6 883 1 1 8 PRO N N 4.301 4.331 1.818 1.00 . A A . 8 PRO N 1 1
6 884 1 1 8 PRO O O 7.591 3.825 0.396 1.00 . A A . 8 PRO O 1 1
6 885 1 1 9 ALA C C 5.644 0.073 -0.229 1.00 . A A . 9 ALA C 1 1
6 886 1 1 9 ALA CA C 6.582 1.167 0.298 1.00 . A A . 9 ALA CA 1 1
6 887 1 1 9 ALA CB C 7.318 0.671 1.543 1.00 . A A . 9 ALA CB 1 1
6 888 1 1 9 ALA H H 4.873 2.339 0.752 1.00 . A A . 9 ALA H 1 1
6 889 1 1 9 ALA HA H 7.316 1.394 -0.462 1.00 . A A . 9 ALA HA 1 1
6 890 1 1 9 ALA HB1 H 7.975 1.447 1.907 1.00 . A A . 9 ALA HB1 1 1
6 891 1 1 9 ALA HB2 H 7.900 -0.204 1.293 1.00 . A A . 9 ALA HB2 1 1
6 892 1 1 9 ALA HB3 H 6.600 0.418 2.310 1.00 . A A . 9 ALA HB3 1 1
6 893 1 1 9 ALA N N 5.836 2.401 0.590 1.00 . A A . 9 ALA N 1 1
6 894 1 1 9 ALA O O 6.091 -1.023 -0.584 1.00 . A A . 9 ALA O 1 1
6 895 1 1 10 CYS C C 3.135 -1.762 0.172 1.00 . A A . 10 CYS C 1 1
6 896 1 1 10 CYS CA C 3.268 -0.535 -0.754 1.00 . A A . 10 CYS CA 1 1
6 897 1 1 10 CYS CB C 3.507 -0.966 -2.219 1.00 . A A . 10 CYS CB 1 1
6 898 1 1 10 CYS H H 4.060 1.290 0.000 1.00 . A A . 10 CYS H 1 1
6 899 1 1 10 CYS HA H 2.337 0.011 -0.709 1.00 . A A . 10 CYS HA 1 1
6 900 1 1 10 CYS HB2 H 3.638 -0.085 -2.828 1.00 . A A . 10 CYS HB2 1 1
6 901 1 1 10 CYS HB3 H 4.403 -1.567 -2.267 1.00 . A A . 10 CYS HB3 1 1
6 902 1 1 10 CYS N N 4.328 0.391 -0.286 1.00 . A A . 10 CYS N 1 1
6 903 1 1 10 CYS O O 2.855 -2.881 -0.279 1.00 . A A . 10 CYS O 1 1
6 904 1 1 10 CYS SG S 2.145 -1.939 -2.942 1.00 . A A . 10 CYS SG 1 1
6 905 1 1 11 THR C C 2.377 -2.122 3.692 1.00 . A A . 11 THR C 1 1
6 906 1 1 11 THR CA C 3.225 -2.582 2.489 1.00 . A A . 11 THR CA 1 1
6 907 1 1 11 THR CB C 4.637 -3.025 2.964 1.00 . A A . 11 THR CB 1 1
6 908 1 1 11 THR CG2 C 4.632 -4.477 3.435 1.00 . A A . 11 THR CG2 1 1
6 909 1 1 11 THR H H 3.516 -0.609 1.766 1.00 . A A . 11 THR H 1 1
6 910 1 1 11 THR HA H 2.739 -3.430 2.031 1.00 . A A . 11 THR HA 1 1
6 911 1 1 11 THR HB H 4.937 -2.397 3.790 1.00 . A A . 11 THR HB 1 1
6 912 1 1 11 THR HG1 H 5.308 -3.410 1.147 1.00 . A A . 11 THR HG1 1 1
6 913 1 1 11 THR HG21 H 4.321 -5.118 2.622 1.00 . A A . 11 THR HG21 1 1
6 914 1 1 11 THR HG22 H 3.945 -4.585 4.261 1.00 . A A . 11 THR HG22 1 1
6 915 1 1 11 THR HG23 H 5.625 -4.756 3.753 1.00 . A A . 11 THR HG23 1 1
6 916 1 1 11 THR N N 3.317 -1.524 1.477 1.00 . A A . 11 THR N 1 1
6 917 1 1 11 THR O O 2.663 -2.470 4.845 1.00 . A A . 11 THR O 1 1
6 918 1 1 11 THR OG1 O 5.589 -2.884 1.900 1.00 . A A . 11 THR OG1 1 1
6 919 1 1 12 GLY C C -1.020 -0.883 4.002 1.00 . A A . 12 GLY C 1 1
6 920 1 1 12 GLY CA C 0.429 -0.853 4.437 1.00 . A A . 12 GLY CA 1 1
6 921 1 1 12 GLY H H 1.144 -1.132 2.461 1.00 . A A . 12 GLY H 1 1
6 922 1 1 12 GLY HA2 H 0.544 -1.461 5.321 1.00 . A A . 12 GLY HA2 1 1
6 923 1 1 12 GLY HA3 H 0.698 0.158 4.676 1.00 . A A . 12 GLY HA3 1 1
6 924 1 1 12 GLY N N 1.321 -1.355 3.399 1.00 . A A . 12 GLY N 1 1
6 925 1 1 12 GLY O O -1.576 0.141 3.592 1.00 . A A . 12 GLY O 1 1
6 926 1 1 13 CYS C C -3.934 -2.271 4.926 1.00 . A A . 13 CYS C 1 1
6 927 1 1 13 CYS CA C -3.014 -2.278 3.705 1.00 . A A . 13 CYS CA 1 1
6 928 1 1 13 CYS CB C -3.153 -3.599 2.939 1.00 . A A . 13 CYS CB 1 1
6 929 1 1 13 CYS H H -1.106 -2.820 4.447 1.00 . A A . 13 CYS H 1 1
6 930 1 1 13 CYS HA H -3.299 -1.467 3.051 1.00 . A A . 13 CYS HA 1 1
6 931 1 1 13 CYS HB2 H -2.632 -4.376 3.479 1.00 . A A . 13 CYS HB2 1 1
6 932 1 1 13 CYS HB3 H -4.200 -3.857 2.871 1.00 . A A . 13 CYS HB3 1 1
6 933 1 1 13 CYS N N -1.620 -2.066 4.097 1.00 . A A . 13 CYS N 1 1
6 934 1 1 13 CYS O O -4.834 -1.406 4.979 1.00 . A A . 13 CYS O 1 1
6 935 1 1 13 CYS OXT O -3.741 -3.121 5.823 1.00 . A A . 13 CYS OXT 1 1
6 936 1 1 13 CYS SG S -2.480 -3.559 1.244 1.00 . A A . 13 CYS SG 1 1
7 937 1 1 1 CYS C C -0.883 2.103 -4.719 1.00 . A A . 1 CYS C 1 1
7 938 1 1 1 CYS CA C -0.802 3.098 -3.566 1.00 . A A . 1 CYS CA 1 1
7 939 1 1 1 CYS CB C -2.166 3.762 -3.359 1.00 . A A . 1 CYS CB 1 1
7 940 1 1 1 CYS H1 H 0.280 4.802 -3.038 1.00 . A A . 1 CYS H1 1 1
7 941 1 1 1 CYS H2 H 0.005 4.651 -4.701 1.00 . A A . 1 CYS H2 1 1
7 942 1 1 1 CYS H3 H 1.165 3.680 -3.944 1.00 . A A . 1 CYS H3 1 1
7 943 1 1 1 CYS HA H -0.528 2.566 -2.667 1.00 . A A . 1 CYS HA 1 1
7 944 1 1 1 CYS HB2 H -2.489 4.200 -4.291 1.00 . A A . 1 CYS HB2 1 1
7 945 1 1 1 CYS HB3 H -2.880 3.012 -3.054 1.00 . A A . 1 CYS HB3 1 1
7 946 1 1 1 CYS N N 0.234 4.129 -3.831 1.00 . A A . 1 CYS N 1 1
7 947 1 1 1 CYS O O -0.932 2.500 -5.886 1.00 . A A . 1 CYS O 1 1
7 948 1 1 1 CYS SG S -2.170 5.079 -2.099 1.00 . A A . 1 CYS SG 1 1
7 949 1 1 2 CYS C C -2.417 -0.745 -5.541 1.00 . A A . 2 CYS C 1 1
7 950 1 1 2 CYS CA C -0.972 -0.261 -5.374 1.00 . A A . 2 CYS CA 1 1
7 951 1 1 2 CYS CB C -0.056 -1.425 -4.975 1.00 . A A . 2 CYS CB 1 1
7 952 1 1 2 CYS H H -0.852 0.569 -3.428 1.00 . A A . 2 CYS H 1 1
7 953 1 1 2 CYS HA H -0.634 0.144 -6.316 1.00 . A A . 2 CYS HA 1 1
7 954 1 1 2 CYS HB2 H -0.443 -1.888 -4.080 1.00 . A A . 2 CYS HB2 1 1
7 955 1 1 2 CYS HB3 H -0.043 -2.153 -5.774 1.00 . A A . 2 CYS HB3 1 1
7 956 1 1 2 CYS N N -0.896 0.809 -4.377 1.00 . A A . 2 CYS N 1 1
7 957 1 1 2 CYS O O -2.949 -0.752 -6.654 1.00 . A A . 2 CYS O 1 1
7 958 1 1 2 CYS SG S 1.669 -0.936 -4.642 1.00 . A A . 2 CYS SG 1 1
7 959 1 1 3 GLU C C -5.108 -1.238 -3.094 1.00 . A A . 3 GLU C 1 1
7 960 1 1 3 GLU CA C -4.427 -1.627 -4.410 1.00 . A A . 3 GLU CA 1 1
7 961 1 1 3 GLU CB C -4.484 -3.151 -4.618 1.00 . A A . 3 GLU CB 1 1
7 962 1 1 3 GLU CD C -4.364 -5.082 -6.243 1.00 . A A . 3 GLU CD 1 1
7 963 1 1 3 GLU CG C -4.301 -3.577 -6.066 1.00 . A A . 3 GLU CG 1 1
7 964 1 1 3 GLU H H -2.547 -1.121 -3.574 1.00 . A A . 3 GLU H 1 1
7 965 1 1 3 GLU HA H -4.947 -1.141 -5.223 1.00 . A A . 3 GLU HA 1 1
7 966 1 1 3 GLU HB2 H -3.704 -3.611 -4.030 1.00 . A A . 3 GLU HB2 1 1
7 967 1 1 3 GLU HB3 H -5.441 -3.513 -4.274 1.00 . A A . 3 GLU HB3 1 1
7 968 1 1 3 GLU HG2 H -5.081 -3.128 -6.662 1.00 . A A . 3 GLU HG2 1 1
7 969 1 1 3 GLU HG3 H -3.339 -3.228 -6.412 1.00 . A A . 3 GLU HG3 1 1
7 970 1 1 3 GLU N N -3.040 -1.148 -4.421 1.00 . A A . 3 GLU N 1 1
7 971 1 1 3 GLU O O -6.023 -0.408 -3.084 1.00 . A A . 3 GLU O 1 1
7 972 1 1 3 GLU OE1 O -3.303 -5.734 -6.159 1.00 . A A . 3 GLU OE1 1 1
7 973 1 1 3 GLU OE2 O -5.475 -5.607 -6.466 1.00 . A A . 3 GLU OE2 1 1
7 974 1 1 4 LEU C C -4.136 -0.868 0.211 1.00 . A A . 4 LEU C 1 1
7 975 1 1 4 LEU CA C -5.184 -1.569 -0.655 1.00 . A A . 4 LEU CA 1 1
7 976 1 1 4 LEU CB C -5.638 -2.869 0.027 1.00 . A A . 4 LEU CB 1 1
7 977 1 1 4 LEU CD1 C -6.613 -5.149 -0.361 1.00 . A A . 4 LEU CD1 1 1
7 978 1 1 4 LEU CD2 C -8.108 -3.148 -0.397 1.00 . A A . 4 LEU CD2 1 1
7 979 1 1 4 LEU CG C -6.713 -3.674 -0.718 1.00 . A A . 4 LEU CG 1 1
7 980 1 1 4 LEU H H -3.945 -2.518 -2.087 1.00 . A A . 4 LEU H 1 1
7 981 1 1 4 LEU HA H -6.034 -0.915 -0.768 1.00 . A A . 4 LEU HA 1 1
7 982 1 1 4 LEU HB2 H -4.771 -3.502 0.153 1.00 . A A . 4 LEU HB2 1 1
7 983 1 1 4 LEU HB3 H -6.022 -2.620 1.004 1.00 . A A . 4 LEU HB3 1 1
7 984 1 1 4 LEU HD11 H -6.741 -5.271 0.705 1.00 . A A . 4 LEU HD11 1 1
7 985 1 1 4 LEU HD12 H -5.643 -5.525 -0.652 1.00 . A A . 4 LEU HD12 1 1
7 986 1 1 4 LEU HD13 H -7.383 -5.698 -0.882 1.00 . A A . 4 LEU HD13 1 1
7 987 1 1 4 LEU HD21 H -8.844 -3.734 -0.927 1.00 . A A . 4 LEU HD21 1 1
7 988 1 1 4 LEU HD22 H -8.182 -2.115 -0.703 1.00 . A A . 4 LEU HD22 1 1
7 989 1 1 4 LEU HD23 H -8.285 -3.222 0.665 1.00 . A A . 4 LEU HD23 1 1
7 990 1 1 4 LEU HG H -6.551 -3.576 -1.782 1.00 . A A . 4 LEU HG 1 1
7 991 1 1 4 LEU N N -4.652 -1.847 -1.993 1.00 . A A . 4 LEU N 1 1
7 992 1 1 4 LEU O O -4.476 -0.192 1.187 1.00 . A A . 4 LEU O 1 1
7 993 1 1 5 CYS C C -1.406 0.930 0.011 1.00 . A A . 5 CYS C 1 1
7 994 1 1 5 CYS CA C -1.731 -0.445 0.550 1.00 . A A . 5 CYS CA 1 1
7 995 1 1 5 CYS CB C -0.497 -1.356 0.467 1.00 . A A . 5 CYS CB 1 1
7 996 1 1 5 CYS H H -2.680 -1.600 -0.944 1.00 . A A . 5 CYS H 1 1
7 997 1 1 5 CYS HA H -2.009 -0.319 1.575 1.00 . A A . 5 CYS HA 1 1
7 998 1 1 5 CYS HB2 H -0.355 -1.658 -0.559 1.00 . A A . 5 CYS HB2 1 1
7 999 1 1 5 CYS HB3 H 0.370 -0.797 0.790 1.00 . A A . 5 CYS HB3 1 1
7 1000 1 1 5 CYS N N -2.862 -1.042 -0.163 1.00 . A A . 5 CYS N 1 1
7 1001 1 1 5 CYS O O -1.016 1.089 -1.152 1.00 . A A . 5 CYS O 1 1
7 1002 1 1 5 CYS SG S -0.581 -2.877 1.476 1.00 . A A . 5 CYS SG 1 1
7 1003 1 1 6 CYS C C -0.109 3.837 1.311 1.00 . A A . 6 CYS C 1 1
7 1004 1 1 6 CYS CA C -1.317 3.295 0.528 1.00 . A A . 6 CYS CA 1 1
7 1005 1 1 6 CYS CB C -2.566 4.148 0.762 1.00 . A A . 6 CYS CB 1 1
7 1006 1 1 6 CYS H H -1.920 1.720 1.777 1.00 . A A . 6 CYS H 1 1
7 1007 1 1 6 CYS HA H -1.083 3.292 -0.515 1.00 . A A . 6 CYS HA 1 1
7 1008 1 1 6 CYS HB2 H -3.206 3.648 1.473 1.00 . A A . 6 CYS HB2 1 1
7 1009 1 1 6 CYS HB3 H -2.269 5.102 1.164 1.00 . A A . 6 CYS HB3 1 1
7 1010 1 1 6 CYS N N -1.588 1.922 0.879 1.00 . A A . 6 CYS N 1 1
7 1011 1 1 6 CYS O O -0.043 5.026 1.650 1.00 . A A . 6 CYS O 1 1
7 1012 1 1 6 CYS SG S -3.547 4.454 -0.743 1.00 . A A . 6 CYS SG 1 1
7 1013 1 1 7 ASN C C 3.194 3.687 1.331 1.00 . A A . 7 ASN C 1 1
7 1014 1 1 7 ASN CA C 2.068 3.267 2.300 1.00 . A A . 7 ASN CA 1 1
7 1015 1 1 7 ASN CB C 2.469 2.020 3.083 1.00 . A A . 7 ASN CB 1 1
7 1016 1 1 7 ASN CG C 2.767 2.249 4.541 1.00 . A A . 7 ASN CG 1 1
7 1017 1 1 7 ASN H H 0.747 2.026 1.249 1.00 . A A . 7 ASN H 1 1
7 1018 1 1 7 ASN HA H 1.852 4.072 2.983 1.00 . A A . 7 ASN HA 1 1
7 1019 1 1 7 ASN HB2 H 1.667 1.319 3.039 1.00 . A A . 7 ASN HB2 1 1
7 1020 1 1 7 ASN HB3 H 3.332 1.584 2.625 1.00 . A A . 7 ASN HB3 1 1
7 1021 1 1 7 ASN HD21 H 3.310 0.351 4.686 1.00 . A A . 7 ASN HD21 1 1
7 1022 1 1 7 ASN HD22 H 3.395 1.275 6.124 1.00 . A A . 7 ASN HD22 1 1
7 1023 1 1 7 ASN N N 0.855 2.945 1.566 1.00 . A A . 7 ASN N 1 1
7 1024 1 1 7 ASN ND2 N 3.206 1.188 5.186 1.00 . A A . 7 ASN ND2 1 1
7 1025 1 1 7 ASN O O 3.080 3.434 0.127 1.00 . A A . 7 ASN O 1 1
7 1026 1 1 7 ASN OD1 O 2.592 3.343 5.085 1.00 . A A . 7 ASN OD1 1 1
7 1027 1 1 8 PRO C C 6.395 3.615 0.625 1.00 . A A . 8 PRO C 1 1
7 1028 1 1 8 PRO CA C 5.423 4.760 0.957 1.00 . A A . 8 PRO CA 1 1
7 1029 1 1 8 PRO CB C 6.116 5.864 1.791 1.00 . A A . 8 PRO CB 1 1
7 1030 1 1 8 PRO CD C 4.569 4.714 3.215 1.00 . A A . 8 PRO CD 1 1
7 1031 1 1 8 PRO CG C 5.305 6.009 3.045 1.00 . A A . 8 PRO CG 1 1
7 1032 1 1 8 PRO HA H 5.055 5.172 0.035 1.00 . A A . 8 PRO HA 1 1
7 1033 1 1 8 PRO HB2 H 7.133 5.560 2.006 1.00 . A A . 8 PRO HB2 1 1
7 1034 1 1 8 PRO HB3 H 6.124 6.788 1.234 1.00 . A A . 8 PRO HB3 1 1
7 1035 1 1 8 PRO HD2 H 5.192 3.983 3.708 1.00 . A A . 8 PRO HD2 1 1
7 1036 1 1 8 PRO HD3 H 3.647 4.855 3.759 1.00 . A A . 8 PRO HD3 1 1
7 1037 1 1 8 PRO HG2 H 5.961 6.184 3.888 1.00 . A A . 8 PRO HG2 1 1
7 1038 1 1 8 PRO HG3 H 4.602 6.820 2.940 1.00 . A A . 8 PRO HG3 1 1
7 1039 1 1 8 PRO N N 4.304 4.330 1.820 1.00 . A A . 8 PRO N 1 1
7 1040 1 1 8 PRO O O 7.592 3.828 0.391 1.00 . A A . 8 PRO O 1 1
7 1041 1 1 9 ALA C C 5.643 0.075 -0.234 1.00 . A A . 9 ALA C 1 1
7 1042 1 1 9 ALA CA C 6.583 1.170 0.290 1.00 . A A . 9 ALA CA 1 1
7 1043 1 1 9 ALA CB C 7.325 0.672 1.532 1.00 . A A . 9 ALA CB 1 1
7 1044 1 1 9 ALA H H 4.875 2.341 0.750 1.00 . A A . 9 ALA H 1 1
7 1045 1 1 9 ALA HA H 7.314 1.397 -0.473 1.00 . A A . 9 ALA HA 1 1
7 1046 1 1 9 ALA HB1 H 7.984 1.449 1.892 1.00 . A A . 9 ALA HB1 1 1
7 1047 1 1 9 ALA HB2 H 7.904 -0.203 1.279 1.00 . A A . 9 ALA HB2 1 1
7 1048 1 1 9 ALA HB3 H 6.610 0.420 2.301 1.00 . A A . 9 ALA HB3 1 1
7 1049 1 1 9 ALA N N 5.838 2.403 0.586 1.00 . A A . 9 ALA N 1 1
7 1050 1 1 9 ALA O O 6.089 -1.021 -0.589 1.00 . A A . 9 ALA O 1 1
7 1051 1 1 10 CYS C C 3.133 -1.758 0.174 1.00 . A A . 10 CYS C 1 1
7 1052 1 1 10 CYS CA C 3.266 -0.532 -0.754 1.00 . A A . 10 CYS CA 1 1
7 1053 1 1 10 CYS CB C 3.502 -0.964 -2.218 1.00 . A A . 10 CYS CB 1 1
7 1054 1 1 10 CYS H H 4.061 1.293 -0.002 1.00 . A A . 10 CYS H 1 1
7 1055 1 1 10 CYS HA H 2.335 0.015 -0.708 1.00 . A A . 10 CYS HA 1 1
7 1056 1 1 10 CYS HB2 H 3.632 -0.084 -2.829 1.00 . A A . 10 CYS HB2 1 1
7 1057 1 1 10 CYS HB3 H 4.397 -1.566 -2.268 1.00 . A A . 10 CYS HB3 1 1
7 1058 1 1 10 CYS N N 4.328 0.394 -0.288 1.00 . A A . 10 CYS N 1 1
7 1059 1 1 10 CYS O O 2.853 -2.877 -0.276 1.00 . A A . 10 CYS O 1 1
7 1060 1 1 10 CYS SG S 2.137 -1.937 -2.938 1.00 . A A . 10 CYS SG 1 1
7 1061 1 1 11 THR C C 2.376 -2.115 3.693 1.00 . A A . 11 THR C 1 1
7 1062 1 1 11 THR CA C 3.226 -2.575 2.492 1.00 . A A . 11 THR CA 1 1
7 1063 1 1 11 THR CB C 4.638 -3.016 2.969 1.00 . A A . 11 THR CB 1 1
7 1064 1 1 11 THR CG2 C 4.634 -4.466 3.444 1.00 . A A . 11 THR CG2 1 1
7 1065 1 1 11 THR H H 3.517 -0.603 1.767 1.00 . A A . 11 THR H 1 1
7 1066 1 1 11 THR HA H 2.741 -3.425 2.035 1.00 . A A . 11 THR HA 1 1
7 1067 1 1 11 THR HB H 4.937 -2.384 3.793 1.00 . A A . 11 THR HB 1 1
7 1068 1 1 11 THR HG1 H 5.212 -3.217 1.090 1.00 . A A . 11 THR HG1 1 1
7 1069 1 1 11 THR HG21 H 4.332 -5.110 2.631 1.00 . A A . 11 THR HG21 1 1
7 1070 1 1 11 THR HG22 H 3.940 -4.574 4.265 1.00 . A A . 11 THR HG22 1 1
7 1071 1 1 11 THR HG23 H 5.625 -4.741 3.772 1.00 . A A . 11 THR HG23 1 1
7 1072 1 1 11 THR N N 3.316 -1.518 1.479 1.00 . A A . 11 THR N 1 1
7 1073 1 1 11 THR O O 2.661 -2.460 4.847 1.00 . A A . 11 THR O 1 1
7 1074 1 1 11 THR OG1 O 5.589 -2.877 1.904 1.00 . A A . 11 THR OG1 1 1
7 1075 1 1 12 GLY C C -1.025 -0.882 3.999 1.00 . A A . 12 GLY C 1 1
7 1076 1 1 12 GLY CA C 0.424 -0.849 4.435 1.00 . A A . 12 GLY CA 1 1
7 1077 1 1 12 GLY H H 1.141 -1.130 2.460 1.00 . A A . 12 GLY H 1 1
7 1078 1 1 12 GLY HA2 H 0.539 -1.456 5.320 1.00 . A A . 12 GLY HA2 1 1
7 1079 1 1 12 GLY HA3 H 0.691 0.162 4.673 1.00 . A A . 12 GLY HA3 1 1
7 1080 1 1 12 GLY N N 1.318 -1.351 3.398 1.00 . A A . 12 GLY N 1 1
7 1081 1 1 12 GLY O O -1.581 0.140 3.586 1.00 . A A . 12 GLY O 1 1
7 1082 1 1 13 CYS C C -3.937 -2.274 4.924 1.00 . A A . 13 CYS C 1 1
7 1083 1 1 13 CYS CA C -3.016 -2.281 3.704 1.00 . A A . 13 CYS CA 1 1
7 1084 1 1 13 CYS CB C -3.153 -3.603 2.939 1.00 . A A . 13 CYS CB 1 1
7 1085 1 1 13 CYS H H -1.108 -2.819 4.448 1.00 . A A . 13 CYS H 1 1
7 1086 1 1 13 CYS HA H -3.303 -1.471 3.049 1.00 . A A . 13 CYS HA 1 1
7 1087 1 1 13 CYS HB2 H -2.631 -4.378 3.480 1.00 . A A . 13 CYS HB2 1 1
7 1088 1 1 13 CYS HB3 H -4.200 -3.863 2.871 1.00 . A A . 13 CYS HB3 1 1
7 1089 1 1 13 CYS N N -1.623 -2.066 4.096 1.00 . A A . 13 CYS N 1 1
7 1090 1 1 13 CYS O O -4.838 -1.411 4.976 1.00 . A A . 13 CYS O 1 1
7 1091 1 1 13 CYS OXT O -3.743 -3.123 5.822 1.00 . A A . 13 CYS OXT 1 1
7 1092 1 1 13 CYS SG S -2.480 -3.563 1.243 1.00 . A A . 13 CYS SG 1 1
8 1093 1 1 1 CYS C C -0.882 2.104 -4.719 1.00 . A A . 1 CYS C 1 1
8 1094 1 1 1 CYS CA C -0.801 3.100 -3.567 1.00 . A A . 1 CYS CA 1 1
8 1095 1 1 1 CYS CB C -2.165 3.763 -3.359 1.00 . A A . 1 CYS CB 1 1
8 1096 1 1 1 CYS H1 H 1.165 3.683 -3.948 1.00 . A A . 1 CYS H1 1 1
8 1097 1 1 1 CYS H2 H 0.281 4.804 -3.042 1.00 . A A . 1 CYS H2 1 1
8 1098 1 1 1 CYS H3 H 0.003 4.653 -4.704 1.00 . A A . 1 CYS H3 1 1
8 1099 1 1 1 CYS HA H -0.525 2.568 -2.668 1.00 . A A . 1 CYS HA 1 1
8 1100 1 1 1 CYS HB2 H -2.489 4.201 -4.291 1.00 . A A . 1 CYS HB2 1 1
8 1101 1 1 1 CYS HB3 H -2.879 3.012 -3.053 1.00 . A A . 1 CYS HB3 1 1
8 1102 1 1 1 CYS N N 0.234 4.132 -3.834 1.00 . A A . 1 CYS N 1 1
8 1103 1 1 1 CYS O O -0.932 2.501 -5.887 1.00 . A A . 1 CYS O 1 1
8 1104 1 1 1 CYS SG S -2.169 5.080 -2.099 1.00 . A A . 1 CYS SG 1 1
8 1105 1 1 2 CYS C C -2.417 -0.743 -5.540 1.00 . A A . 2 CYS C 1 1
8 1106 1 1 2 CYS CA C -0.972 -0.260 -5.373 1.00 . A A . 2 CYS CA 1 1
8 1107 1 1 2 CYS CB C -0.056 -1.425 -4.973 1.00 . A A . 2 CYS CB 1 1
8 1108 1 1 2 CYS H H -0.852 0.571 -3.427 1.00 . A A . 2 CYS H 1 1
8 1109 1 1 2 CYS HA H -0.633 0.144 -6.315 1.00 . A A . 2 CYS HA 1 1
8 1110 1 1 2 CYS HB2 H -0.444 -1.887 -4.078 1.00 . A A . 2 CYS HB2 1 1
8 1111 1 1 2 CYS HB3 H -0.044 -2.153 -5.771 1.00 . A A . 2 CYS HB3 1 1
8 1112 1 1 2 CYS N N -0.895 0.810 -4.377 1.00 . A A . 2 CYS N 1 1
8 1113 1 1 2 CYS O O -2.949 -0.749 -6.653 1.00 . A A . 2 CYS O 1 1
8 1114 1 1 2 CYS SG S 1.668 -0.936 -4.640 1.00 . A A . 2 CYS SG 1 1
8 1115 1 1 3 GLU C C -5.108 -1.237 -3.093 1.00 . A A . 3 GLU C 1 1
8 1116 1 1 3 GLU CA C -4.428 -1.625 -4.409 1.00 . A A . 3 GLU CA 1 1
8 1117 1 1 3 GLU CB C -4.486 -3.149 -4.619 1.00 . A A . 3 GLU CB 1 1
8 1118 1 1 3 GLU CD C -4.367 -5.078 -6.246 1.00 . A A . 3 GLU CD 1 1
8 1119 1 1 3 GLU CG C -4.303 -3.573 -6.068 1.00 . A A . 3 GLU CG 1 1
8 1120 1 1 3 GLU H H -2.547 -1.120 -3.573 1.00 . A A . 3 GLU H 1 1
8 1121 1 1 3 GLU HA H -4.948 -1.138 -5.221 1.00 . A A . 3 GLU HA 1 1
8 1122 1 1 3 GLU HB2 H -3.705 -3.610 -4.032 1.00 . A A . 3 GLU HB2 1 1
8 1123 1 1 3 GLU HB3 H -5.442 -3.511 -4.275 1.00 . A A . 3 GLU HB3 1 1
8 1124 1 1 3 GLU HG2 H -5.083 -3.123 -6.663 1.00 . A A . 3 GLU HG2 1 1
8 1125 1 1 3 GLU HG3 H -3.341 -3.225 -6.413 1.00 . A A . 3 GLU HG3 1 1
8 1126 1 1 3 GLU N N -3.040 -1.146 -4.420 1.00 . A A . 3 GLU N 1 1
8 1127 1 1 3 GLU O O -6.022 -0.407 -3.081 1.00 . A A . 3 GLU O 1 1
8 1128 1 1 3 GLU OE1 O -5.479 -5.602 -6.470 1.00 . A A . 3 GLU OE1 1 1
8 1129 1 1 3 GLU OE2 O -3.306 -5.731 -6.163 1.00 . A A . 3 GLU OE2 1 1
8 1130 1 1 4 LEU C C -4.135 -0.870 0.212 1.00 . A A . 4 LEU C 1 1
8 1131 1 1 4 LEU CA C -5.183 -1.571 -0.654 1.00 . A A . 4 LEU CA 1 1
8 1132 1 1 4 LEU CB C -5.635 -2.873 0.027 1.00 . A A . 4 LEU CB 1 1
8 1133 1 1 4 LEU CD1 C -6.608 -5.153 -0.361 1.00 . A A . 4 LEU CD1 1 1
8 1134 1 1 4 LEU CD2 C -8.106 -3.153 -0.396 1.00 . A A . 4 LEU CD2 1 1
8 1135 1 1 4 LEU CG C -6.710 -3.678 -0.717 1.00 . A A . 4 LEU CG 1 1
8 1136 1 1 4 LEU H H -3.945 -2.519 -2.088 1.00 . A A . 4 LEU H 1 1
8 1137 1 1 4 LEU HA H -6.034 -0.918 -0.766 1.00 . A A . 4 LEU HA 1 1
8 1138 1 1 4 LEU HB2 H -4.768 -3.504 0.153 1.00 . A A . 4 LEU HB2 1 1
8 1139 1 1 4 LEU HB3 H -6.020 -2.624 1.005 1.00 . A A . 4 LEU HB3 1 1
8 1140 1 1 4 LEU HD11 H -5.638 -5.528 -0.653 1.00 . A A . 4 LEU HD11 1 1
8 1141 1 1 4 LEU HD12 H -7.378 -5.703 -0.882 1.00 . A A . 4 LEU HD12 1 1
8 1142 1 1 4 LEU HD13 H -6.736 -5.276 0.704 1.00 . A A . 4 LEU HD13 1 1
8 1143 1 1 4 LEU HD21 H -8.841 -3.736 -0.930 1.00 . A A . 4 LEU HD21 1 1
8 1144 1 1 4 LEU HD22 H -8.179 -2.119 -0.696 1.00 . A A . 4 LEU HD22 1 1
8 1145 1 1 4 LEU HD23 H -8.285 -3.234 0.666 1.00 . A A . 4 LEU HD23 1 1
8 1146 1 1 4 LEU HG H -6.548 -3.579 -1.782 1.00 . A A . 4 LEU HG 1 1
8 1147 1 1 4 LEU N N -4.651 -1.848 -1.992 1.00 . A A . 4 LEU N 1 1
8 1148 1 1 4 LEU O O -4.475 -0.195 1.188 1.00 . A A . 4 LEU O 1 1
8 1149 1 1 5 CYS C C -1.405 0.930 0.011 1.00 . A A . 5 CYS C 1 1
8 1150 1 1 5 CYS CA C -1.731 -0.445 0.550 1.00 . A A . 5 CYS CA 1 1
8 1151 1 1 5 CYS CB C -0.496 -1.356 0.467 1.00 . A A . 5 CYS CB 1 1
8 1152 1 1 5 CYS H H -2.679 -1.600 -0.944 1.00 . A A . 5 CYS H 1 1
8 1153 1 1 5 CYS HA H -2.009 -0.319 1.575 1.00 . A A . 5 CYS HA 1 1
8 1154 1 1 5 CYS HB2 H -0.354 -1.658 -0.559 1.00 . A A . 5 CYS HB2 1 1
8 1155 1 1 5 CYS HB3 H 0.370 -0.797 0.790 1.00 . A A . 5 CYS HB3 1 1
8 1156 1 1 5 CYS N N -2.861 -1.043 -0.163 1.00 . A A . 5 CYS N 1 1
8 1157 1 1 5 CYS O O -1.016 1.088 -1.153 1.00 . A A . 5 CYS O 1 1
8 1158 1 1 5 CYS SG S -0.581 -2.877 1.477 1.00 . A A . 5 CYS SG 1 1
8 1159 1 1 6 CYS C C -0.108 3.837 1.308 1.00 . A A . 6 CYS C 1 1
8 1160 1 1 6 CYS CA C -1.316 3.295 0.527 1.00 . A A . 6 CYS CA 1 1
8 1161 1 1 6 CYS CB C -2.566 4.148 0.761 1.00 . A A . 6 CYS CB 1 1
8 1162 1 1 6 CYS H H -1.919 1.720 1.777 1.00 . A A . 6 CYS H 1 1
8 1163 1 1 6 CYS HA H -1.083 3.291 -0.516 1.00 . A A . 6 CYS HA 1 1
8 1164 1 1 6 CYS HB2 H -3.206 3.647 1.472 1.00 . A A . 6 CYS HB2 1 1
8 1165 1 1 6 CYS HB3 H -2.268 5.102 1.165 1.00 . A A . 6 CYS HB3 1 1
8 1166 1 1 6 CYS N N -1.587 1.922 0.878 1.00 . A A . 6 CYS N 1 1
8 1167 1 1 6 CYS O O -0.041 5.027 1.645 1.00 . A A . 6 CYS O 1 1
8 1168 1 1 6 CYS SG S -3.547 4.456 -0.743 1.00 . A A . 6 CYS SG 1 1
8 1169 1 1 7 ASN C C 3.194 3.687 1.330 1.00 . A A . 7 ASN C 1 1
8 1170 1 1 7 ASN CA C 2.068 3.268 2.299 1.00 . A A . 7 ASN CA 1 1
8 1171 1 1 7 ASN CB C 2.469 2.021 3.083 1.00 . A A . 7 ASN CB 1 1
8 1172 1 1 7 ASN CG C 2.766 2.251 4.541 1.00 . A A . 7 ASN CG 1 1
8 1173 1 1 7 ASN H H 0.747 2.025 1.251 1.00 . A A . 7 ASN H 1 1
8 1174 1 1 7 ASN HA H 1.853 4.072 2.982 1.00 . A A . 7 ASN HA 1 1
8 1175 1 1 7 ASN HB2 H 1.668 1.319 3.038 1.00 . A A . 7 ASN HB2 1 1
8 1176 1 1 7 ASN HB3 H 3.333 1.585 2.625 1.00 . A A . 7 ASN HB3 1 1
8 1177 1 1 7 ASN HD21 H 3.307 0.352 4.687 1.00 . A A . 7 ASN HD21 1 1
8 1178 1 1 7 ASN HD22 H 3.393 1.277 6.125 1.00 . A A . 7 ASN HD22 1 1
8 1179 1 1 7 ASN N N 0.855 2.945 1.566 1.00 . A A . 7 ASN N 1 1
8 1180 1 1 7 ASN ND2 N 3.204 1.189 5.186 1.00 . A A . 7 ASN ND2 1 1
8 1181 1 1 7 ASN O O 3.080 3.434 0.126 1.00 . A A . 7 ASN O 1 1
8 1182 1 1 7 ASN OD1 O 2.592 3.344 5.084 1.00 . A A . 7 ASN OD1 1 1
8 1183 1 1 8 PRO C C 6.396 3.615 0.624 1.00 . A A . 8 PRO C 1 1
8 1184 1 1 8 PRO CA C 5.423 4.760 0.955 1.00 . A A . 8 PRO CA 1 1
8 1185 1 1 8 PRO CB C 6.115 5.865 1.788 1.00 . A A . 8 PRO CB 1 1
8 1186 1 1 8 PRO CD C 4.569 4.714 3.214 1.00 . A A . 8 PRO CD 1 1
8 1187 1 1 8 PRO CG C 5.306 6.009 3.044 1.00 . A A . 8 PRO CG 1 1
8 1188 1 1 8 PRO HA H 5.055 5.172 0.033 1.00 . A A . 8 PRO HA 1 1
8 1189 1 1 8 PRO HB2 H 7.133 5.562 2.003 1.00 . A A . 8 PRO HB2 1 1
8 1190 1 1 8 PRO HB3 H 6.122 6.788 1.231 1.00 . A A . 8 PRO HB3 1 1
8 1191 1 1 8 PRO HD2 H 5.193 3.983 3.706 1.00 . A A . 8 PRO HD2 1 1
8 1192 1 1 8 PRO HD3 H 3.647 4.856 3.757 1.00 . A A . 8 PRO HD3 1 1
8 1193 1 1 8 PRO HG2 H 5.962 6.184 3.886 1.00 . A A . 8 PRO HG2 1 1
8 1194 1 1 8 PRO HG3 H 4.602 6.821 2.939 1.00 . A A . 8 PRO HG3 1 1
8 1195 1 1 8 PRO N N 4.305 4.330 1.818 1.00 . A A . 8 PRO N 1 1
8 1196 1 1 8 PRO O O 7.593 3.828 0.393 1.00 . A A . 8 PRO O 1 1
8 1197 1 1 9 ALA C C 5.644 0.076 -0.236 1.00 . A A . 9 ALA C 1 1
8 1198 1 1 9 ALA CA C 6.583 1.170 0.289 1.00 . A A . 9 ALA CA 1 1
8 1199 1 1 9 ALA CB C 7.324 0.673 1.532 1.00 . A A . 9 ALA CB 1 1
8 1200 1 1 9 ALA H H 4.875 2.341 0.747 1.00 . A A . 9 ALA H 1 1
8 1201 1 1 9 ALA HA H 7.315 1.397 -0.472 1.00 . A A . 9 ALA HA 1 1
8 1202 1 1 9 ALA HB1 H 6.608 0.418 2.300 1.00 . A A . 9 ALA HB1 1 1
8 1203 1 1 9 ALA HB2 H 7.980 1.450 1.895 1.00 . A A . 9 ALA HB2 1 1
8 1204 1 1 9 ALA HB3 H 7.906 -0.201 1.279 1.00 . A A . 9 ALA HB3 1 1
8 1205 1 1 9 ALA N N 5.838 2.403 0.584 1.00 . A A . 9 ALA N 1 1
8 1206 1 1 9 ALA O O 6.090 -1.020 -0.593 1.00 . A A . 9 ALA O 1 1
8 1207 1 1 10 CYS C C 3.134 -1.758 0.175 1.00 . A A . 10 CYS C 1 1
8 1208 1 1 10 CYS CA C 3.266 -0.533 -0.753 1.00 . A A . 10 CYS CA 1 1
8 1209 1 1 10 CYS CB C 3.502 -0.965 -2.217 1.00 . A A . 10 CYS CB 1 1
8 1210 1 1 10 CYS H H 4.061 1.292 0.000 1.00 . A A . 10 CYS H 1 1
8 1211 1 1 10 CYS HA H 2.335 0.014 -0.707 1.00 . A A . 10 CYS HA 1 1
8 1212 1 1 10 CYS HB2 H 3.633 -0.085 -2.828 1.00 . A A . 10 CYS HB2 1 1
8 1213 1 1 10 CYS HB3 H 4.398 -1.567 -2.267 1.00 . A A . 10 CYS HB3 1 1
8 1214 1 1 10 CYS N N 4.328 0.394 -0.287 1.00 . A A . 10 CYS N 1 1
8 1215 1 1 10 CYS O O 2.857 -2.878 -0.275 1.00 . A A . 10 CYS O 1 1
8 1216 1 1 10 CYS SG S 2.137 -1.938 -2.936 1.00 . A A . 10 CYS SG 1 1
8 1217 1 1 11 THR C C 2.374 -2.115 3.695 1.00 . A A . 11 THR C 1 1
8 1218 1 1 11 THR CA C 3.224 -2.575 2.493 1.00 . A A . 11 THR CA 1 1
8 1219 1 1 11 THR CB C 4.637 -3.014 2.971 1.00 . A A . 11 THR CB 1 1
8 1220 1 1 11 THR CG2 C 4.634 -4.465 3.446 1.00 . A A . 11 THR CG2 1 1
8 1221 1 1 11 THR H H 3.513 -0.603 1.768 1.00 . A A . 11 THR H 1 1
8 1222 1 1 11 THR HA H 2.741 -3.425 2.036 1.00 . A A . 11 THR HA 1 1
8 1223 1 1 11 THR HB H 4.935 -2.383 3.795 1.00 . A A . 11 THR HB 1 1
8 1224 1 1 11 THR HG1 H 6.090 -3.688 1.817 1.00 . A A . 11 THR HG1 1 1
8 1225 1 1 11 THR HG21 H 3.942 -4.573 4.269 1.00 . A A . 11 THR HG21 1 1
8 1226 1 1 11 THR HG22 H 5.626 -4.739 3.772 1.00 . A A . 11 THR HG22 1 1
8 1227 1 1 11 THR HG23 H 4.330 -5.109 2.634 1.00 . A A . 11 THR HG23 1 1
8 1228 1 1 11 THR N N 3.315 -1.518 1.480 1.00 . A A . 11 THR N 1 1
8 1229 1 1 11 THR O O 2.658 -2.461 4.849 1.00 . A A . 11 THR O 1 1
8 1230 1 1 11 THR OG1 O 5.589 -2.875 1.907 1.00 . A A . 11 THR OG1 1 1
8 1231 1 1 12 GLY C C -1.026 -0.883 4.000 1.00 . A A . 12 GLY C 1 1
8 1232 1 1 12 GLY CA C 0.422 -0.849 4.436 1.00 . A A . 12 GLY CA 1 1
8 1233 1 1 12 GLY H H 1.140 -1.130 2.461 1.00 . A A . 12 GLY H 1 1
8 1234 1 1 12 GLY HA2 H 0.538 -1.456 5.321 1.00 . A A . 12 GLY HA2 1 1
8 1235 1 1 12 GLY HA3 H 0.689 0.162 4.674 1.00 . A A . 12 GLY HA3 1 1
8 1236 1 1 12 GLY N N 1.317 -1.350 3.400 1.00 . A A . 12 GLY N 1 1
8 1237 1 1 12 GLY O O -1.584 0.139 3.589 1.00 . A A . 12 GLY O 1 1
8 1238 1 1 13 CYS C C -3.938 -2.276 4.923 1.00 . A A . 13 CYS C 1 1
8 1239 1 1 13 CYS CA C -3.017 -2.283 3.703 1.00 . A A . 13 CYS CA 1 1
8 1240 1 1 13 CYS CB C -3.153 -3.604 2.938 1.00 . A A . 13 CYS CB 1 1
8 1241 1 1 13 CYS H H -1.109 -2.820 4.447 1.00 . A A . 13 CYS H 1 1
8 1242 1 1 13 CYS HA H -3.303 -1.472 3.048 1.00 . A A . 13 CYS HA 1 1
8 1243 1 1 13 CYS HB2 H -2.631 -4.379 3.479 1.00 . A A . 13 CYS HB2 1 1
8 1244 1 1 13 CYS HB3 H -4.200 -3.864 2.869 1.00 . A A . 13 CYS HB3 1 1
8 1245 1 1 13 CYS N N -1.624 -2.067 4.096 1.00 . A A . 13 CYS N 1 1
8 1246 1 1 13 CYS O O -4.839 -1.413 4.975 1.00 . A A . 13 CYS O 1 1
8 1247 1 1 13 CYS OXT O -3.744 -3.126 5.821 1.00 . A A . 13 CYS OXT 1 1
8 1248 1 1 13 CYS SG S -2.479 -3.564 1.243 1.00 . A A . 13 CYS SG 1 1
9 1249 1 1 1 CYS C C -0.881 2.107 -4.721 1.00 . A A . 1 CYS C 1 1
9 1250 1 1 1 CYS CA C -0.800 3.104 -3.570 1.00 . A A . 1 CYS CA 1 1
9 1251 1 1 1 CYS CB C -2.166 3.763 -3.360 1.00 . A A . 1 CYS CB 1 1
9 1252 1 1 1 CYS H1 H 1.163 3.694 -3.957 1.00 . A A . 1 CYS H1 1 1
9 1253 1 1 1 CYS H2 H 0.277 4.814 -3.051 1.00 . A A . 1 CYS H2 1 1
9 1254 1 1 1 CYS H3 H -0.005 4.659 -4.711 1.00 . A A . 1 CYS H3 1 1
9 1255 1 1 1 CYS HA H -0.520 2.575 -2.671 1.00 . A A . 1 CYS HA 1 1
9 1256 1 1 1 CYS HB2 H -2.494 4.199 -4.291 1.00 . A A . 1 CYS HB2 1 1
9 1257 1 1 1 CYS HB3 H -2.876 3.009 -3.052 1.00 . A A . 1 CYS HB3 1 1
9 1258 1 1 1 CYS N N 0.230 4.140 -3.841 1.00 . A A . 1 CYS N 1 1
9 1259 1 1 1 CYS O O -0.928 2.502 -5.890 1.00 . A A . 1 CYS O 1 1
9 1260 1 1 1 CYS SG S -2.172 5.080 -2.100 1.00 . A A . 1 CYS SG 1 1
9 1261 1 1 2 CYS C C -2.417 -0.741 -5.538 1.00 . A A . 2 CYS C 1 1
9 1262 1 1 2 CYS CA C -0.972 -0.258 -5.371 1.00 . A A . 2 CYS CA 1 1
9 1263 1 1 2 CYS CB C -0.057 -1.423 -4.969 1.00 . A A . 2 CYS CB 1 1
9 1264 1 1 2 CYS H H -0.853 0.576 -3.427 1.00 . A A . 2 CYS H 1 1
9 1265 1 1 2 CYS HA H -0.633 0.145 -6.314 1.00 . A A . 2 CYS HA 1 1
9 1266 1 1 2 CYS HB2 H -0.445 -1.883 -4.073 1.00 . A A . 2 CYS HB2 1 1
9 1267 1 1 2 CYS HB3 H -0.044 -2.152 -5.766 1.00 . A A . 2 CYS HB3 1 1
9 1268 1 1 2 CYS N N -0.896 0.814 -4.377 1.00 . A A . 2 CYS N 1 1
9 1269 1 1 2 CYS O O -2.949 -0.746 -6.652 1.00 . A A . 2 CYS O 1 1
9 1270 1 1 2 CYS SG S 1.668 -0.934 -4.636 1.00 . A A . 2 CYS SG 1 1
9 1271 1 1 3 GLU C C -5.108 -1.238 -3.090 1.00 . A A . 3 GLU C 1 1
9 1272 1 1 3 GLU CA C -4.428 -1.623 -4.407 1.00 . A A . 3 GLU CA 1 1
9 1273 1 1 3 GLU CB C -4.486 -3.147 -4.621 1.00 . A A . 3 GLU CB 1 1
9 1274 1 1 3 GLU CD C -4.371 -5.072 -6.252 1.00 . A A . 3 GLU CD 1 1
9 1275 1 1 3 GLU CG C -4.305 -3.569 -6.070 1.00 . A A . 3 GLU CG 1 1
9 1276 1 1 3 GLU H H -2.547 -1.119 -3.572 1.00 . A A . 3 GLU H 1 1
9 1277 1 1 3 GLU HA H -4.948 -1.135 -5.219 1.00 . A A . 3 GLU HA 1 1
9 1278 1 1 3 GLU HB2 H -3.705 -3.609 -4.035 1.00 . A A . 3 GLU HB2 1 1
9 1279 1 1 3 GLU HB3 H -5.442 -3.509 -4.276 1.00 . A A . 3 GLU HB3 1 1
9 1280 1 1 3 GLU HG2 H -5.084 -3.116 -6.664 1.00 . A A . 3 GLU HG2 1 1
9 1281 1 1 3 GLU HG3 H -3.342 -3.220 -6.415 1.00 . A A . 3 GLU HG3 1 1
9 1282 1 1 3 GLU N N -3.040 -1.145 -4.418 1.00 . A A . 3 GLU N 1 1
9 1283 1 1 3 GLU O O -6.021 -0.408 -3.077 1.00 . A A . 3 GLU O 1 1
9 1284 1 1 3 GLU OE1 O -3.310 -5.727 -6.172 1.00 . A A . 3 GLU OE1 1 1
9 1285 1 1 3 GLU OE2 O -5.483 -5.595 -6.473 1.00 . A A . 3 GLU OE2 1 1
9 1286 1 1 4 LEU C C -4.134 -0.873 0.214 1.00 . A A . 4 LEU C 1 1
9 1287 1 1 4 LEU CA C -5.182 -1.575 -0.652 1.00 . A A . 4 LEU CA 1 1
9 1288 1 1 4 LEU CB C -5.630 -2.878 0.028 1.00 . A A . 4 LEU CB 1 1
9 1289 1 1 4 LEU CD1 C -6.600 -5.160 -0.362 1.00 . A A . 4 LEU CD1 1 1
9 1290 1 1 4 LEU CD2 C -8.101 -3.163 -0.391 1.00 . A A . 4 LEU CD2 1 1
9 1291 1 1 4 LEU CG C -6.705 -3.685 -0.716 1.00 . A A . 4 LEU CG 1 1
9 1292 1 1 4 LEU H H -3.944 -2.521 -2.088 1.00 . A A . 4 LEU H 1 1
9 1293 1 1 4 LEU HA H -6.033 -0.924 -0.763 1.00 . A A . 4 LEU HA 1 1
9 1294 1 1 4 LEU HB2 H -4.762 -3.509 0.152 1.00 . A A . 4 LEU HB2 1 1
9 1295 1 1 4 LEU HB3 H -6.014 -2.631 1.007 1.00 . A A . 4 LEU HB3 1 1
9 1296 1 1 4 LEU HD11 H -5.629 -5.533 -0.655 1.00 . A A . 4 LEU HD11 1 1
9 1297 1 1 4 LEU HD12 H -7.369 -5.711 -0.882 1.00 . A A . 4 LEU HD12 1 1
9 1298 1 1 4 LEU HD13 H -6.726 -5.284 0.704 1.00 . A A . 4 LEU HD13 1 1
9 1299 1 1 4 LEU HD21 H -8.175 -2.127 -0.686 1.00 . A A . 4 LEU HD21 1 1
9 1300 1 1 4 LEU HD22 H -8.279 -3.249 0.670 1.00 . A A . 4 LEU HD22 1 1
9 1301 1 1 4 LEU HD23 H -8.836 -3.744 -0.928 1.00 . A A . 4 LEU HD23 1 1
9 1302 1 1 4 LEU HG H -6.545 -3.584 -1.780 1.00 . A A . 4 LEU HG 1 1
9 1303 1 1 4 LEU N N -4.650 -1.850 -1.991 1.00 . A A . 4 LEU N 1 1
9 1304 1 1 4 LEU O O -4.474 -0.201 1.191 1.00 . A A . 4 LEU O 1 1
9 1305 1 1 5 CYS C C -1.406 0.931 0.010 1.00 . A A . 5 CYS C 1 1
9 1306 1 1 5 CYS CA C -1.730 -0.444 0.549 1.00 . A A . 5 CYS CA 1 1
9 1307 1 1 5 CYS CB C -0.495 -1.354 0.467 1.00 . A A . 5 CYS CB 1 1
9 1308 1 1 5 CYS H H -2.677 -1.598 -0.945 1.00 . A A . 5 CYS H 1 1
9 1309 1 1 5 CYS HA H -2.008 -0.318 1.574 1.00 . A A . 5 CYS HA 1 1
9 1310 1 1 5 CYS HB2 H -0.352 -1.656 -0.559 1.00 . A A . 5 CYS HB2 1 1
9 1311 1 1 5 CYS HB3 H 0.371 -0.794 0.790 1.00 . A A . 5 CYS HB3 1 1
9 1312 1 1 5 CYS N N -2.860 -1.043 -0.163 1.00 . A A . 5 CYS N 1 1
9 1313 1 1 5 CYS O O -1.019 1.089 -1.154 1.00 . A A . 5 CYS O 1 1
9 1314 1 1 5 CYS SG S -0.578 -2.875 1.477 1.00 . A A . 5 CYS SG 1 1
9 1315 1 1 6 CYS C C -0.109 3.839 1.306 1.00 . A A . 6 CYS C 1 1
9 1316 1 1 6 CYS CA C -1.317 3.296 0.525 1.00 . A A . 6 CYS CA 1 1
9 1317 1 1 6 CYS CB C -2.567 4.148 0.760 1.00 . A A . 6 CYS CB 1 1
9 1318 1 1 6 CYS H H -1.917 1.721 1.776 1.00 . A A . 6 CYS H 1 1
9 1319 1 1 6 CYS HA H -1.085 3.292 -0.518 1.00 . A A . 6 CYS HA 1 1
9 1320 1 1 6 CYS HB2 H -3.206 3.647 1.471 1.00 . A A . 6 CYS HB2 1 1
9 1321 1 1 6 CYS HB3 H -2.270 5.102 1.163 1.00 . A A . 6 CYS HB3 1 1
9 1322 1 1 6 CYS N N -1.587 1.923 0.877 1.00 . A A . 6 CYS N 1 1
9 1323 1 1 6 CYS O O -0.041 5.030 1.640 1.00 . A A . 6 CYS O 1 1
9 1324 1 1 6 CYS SG S -3.549 4.455 -0.745 1.00 . A A . 6 CYS SG 1 1
9 1325 1 1 7 ASN C C 3.193 3.687 1.328 1.00 . A A . 7 ASN C 1 1
9 1326 1 1 7 ASN CA C 2.067 3.270 2.298 1.00 . A A . 7 ASN CA 1 1
9 1327 1 1 7 ASN CB C 2.467 2.025 3.084 1.00 . A A . 7 ASN CB 1 1
9 1328 1 1 7 ASN CG C 2.764 2.256 4.541 1.00 . A A . 7 ASN CG 1 1
9 1329 1 1 7 ASN H H 0.745 2.026 1.252 1.00 . A A . 7 ASN H 1 1
9 1330 1 1 7 ASN HA H 1.852 4.076 2.980 1.00 . A A . 7 ASN HA 1 1
9 1331 1 1 7 ASN HB2 H 1.666 1.324 3.040 1.00 . A A . 7 ASN HB2 1 1
9 1332 1 1 7 ASN HB3 H 3.331 1.588 2.627 1.00 . A A . 7 ASN HB3 1 1
9 1333 1 1 7 ASN HD21 H 3.300 0.357 4.691 1.00 . A A . 7 ASN HD21 1 1
9 1334 1 1 7 ASN HD22 H 3.388 1.283 6.127 1.00 . A A . 7 ASN HD22 1 1
9 1335 1 1 7 ASN N N 0.854 2.947 1.565 1.00 . A A . 7 ASN N 1 1
9 1336 1 1 7 ASN ND2 N 3.199 1.195 5.189 1.00 . A A . 7 ASN ND2 1 1
9 1337 1 1 7 ASN O O 3.079 3.432 0.125 1.00 . A A . 7 ASN O 1 1
9 1338 1 1 7 ASN OD1 O 2.592 3.351 5.083 1.00 . A A . 7 ASN OD1 1 1
9 1339 1 1 8 PRO C C 6.395 3.613 0.623 1.00 . A A . 8 PRO C 1 1
9 1340 1 1 8 PRO CA C 5.422 4.759 0.951 1.00 . A A . 8 PRO CA 1 1
9 1341 1 1 8 PRO CB C 6.114 5.866 1.782 1.00 . A A . 8 PRO CB 1 1
9 1342 1 1 8 PRO CD C 4.569 4.718 3.210 1.00 . A A . 8 PRO CD 1 1
9 1343 1 1 8 PRO CG C 5.305 6.012 3.038 1.00 . A A . 8 PRO CG 1 1
9 1344 1 1 8 PRO HA H 5.054 5.168 0.028 1.00 . A A . 8 PRO HA 1 1
9 1345 1 1 8 PRO HB2 H 7.132 5.563 1.997 1.00 . A A . 8 PRO HB2 1 1
9 1346 1 1 8 PRO HB3 H 6.121 6.788 1.224 1.00 . A A . 8 PRO HB3 1 1
9 1347 1 1 8 PRO HD2 H 5.192 3.987 3.703 1.00 . A A . 8 PRO HD2 1 1
9 1348 1 1 8 PRO HD3 H 3.647 4.860 3.754 1.00 . A A . 8 PRO HD3 1 1
9 1349 1 1 8 PRO HG2 H 5.962 6.188 3.879 1.00 . A A . 8 PRO HG2 1 1
9 1350 1 1 8 PRO HG3 H 4.602 6.823 2.932 1.00 . A A . 8 PRO HG3 1 1
9 1351 1 1 8 PRO N N 4.304 4.331 1.815 1.00 . A A . 8 PRO N 1 1
9 1352 1 1 8 PRO O O 7.592 3.826 0.392 1.00 . A A . 8 PRO O 1 1
9 1353 1 1 9 ALA C C 5.644 0.073 -0.232 1.00 . A A . 9 ALA C 1 1
9 1354 1 1 9 ALA CA C 6.583 1.168 0.293 1.00 . A A . 9 ALA CA 1 1
9 1355 1 1 9 ALA CB C 7.321 0.672 1.538 1.00 . A A . 9 ALA CB 1 1
9 1356 1 1 9 ALA H H 4.874 2.339 0.747 1.00 . A A . 9 ALA H 1 1
9 1357 1 1 9 ALA HA H 7.316 1.394 -0.468 1.00 . A A . 9 ALA HA 1 1
9 1358 1 1 9 ALA HB1 H 7.972 1.452 1.904 1.00 . A A . 9 ALA HB1 1 1
9 1359 1 1 9 ALA HB2 H 7.908 -0.198 1.286 1.00 . A A . 9 ALA HB2 1 1
9 1360 1 1 9 ALA HB3 H 6.603 0.413 2.302 1.00 . A A . 9 ALA HB3 1 1
9 1361 1 1 9 ALA N N 5.837 2.401 0.585 1.00 . A A . 9 ALA N 1 1
9 1362 1 1 9 ALA O O 6.091 -1.023 -0.588 1.00 . A A . 9 ALA O 1 1
9 1363 1 1 10 CYS C C 3.134 -1.761 0.177 1.00 . A A . 10 CYS C 1 1
9 1364 1 1 10 CYS CA C 3.267 -0.536 -0.751 1.00 . A A . 10 CYS CA 1 1
9 1365 1 1 10 CYS CB C 3.503 -0.969 -2.215 1.00 . A A . 10 CYS CB 1 1
9 1366 1 1 10 CYS H H 4.061 1.289 0.002 1.00 . A A . 10 CYS H 1 1
9 1367 1 1 10 CYS HA H 2.336 0.011 -0.706 1.00 . A A . 10 CYS HA 1 1
9 1368 1 1 10 CYS HB2 H 3.636 -0.088 -2.826 1.00 . A A . 10 CYS HB2 1 1
9 1369 1 1 10 CYS HB3 H 4.398 -1.572 -2.263 1.00 . A A . 10 CYS HB3 1 1
9 1370 1 1 10 CYS N N 4.328 0.391 -0.285 1.00 . A A . 10 CYS N 1 1
9 1371 1 1 10 CYS O O 2.856 -2.881 -0.273 1.00 . A A . 10 CYS O 1 1
9 1372 1 1 10 CYS SG S 2.139 -1.940 -2.935 1.00 . A A . 10 CYS SG 1 1
9 1373 1 1 11 THR C C 2.373 -2.116 3.696 1.00 . A A . 11 THR C 1 1
9 1374 1 1 11 THR CA C 3.224 -2.577 2.496 1.00 . A A . 11 THR CA 1 1
9 1375 1 1 11 THR CB C 4.636 -3.017 2.974 1.00 . A A . 11 THR CB 1 1
9 1376 1 1 11 THR CG2 C 4.633 -4.468 3.447 1.00 . A A . 11 THR CG2 1 1
9 1377 1 1 11 THR H H 3.514 -0.606 1.770 1.00 . A A . 11 THR H 1 1
9 1378 1 1 11 THR HA H 2.740 -3.427 2.039 1.00 . A A . 11 THR HA 1 1
9 1379 1 1 11 THR HB H 4.933 -2.386 3.799 1.00 . A A . 11 THR HB 1 1
9 1380 1 1 11 THR HG1 H 5.227 -2.305 1.230 1.00 . A A . 11 THR HG1 1 1
9 1381 1 1 11 THR HG21 H 5.626 -4.744 3.770 1.00 . A A . 11 THR HG21 1 1
9 1382 1 1 11 THR HG22 H 4.327 -5.111 2.635 1.00 . A A . 11 THR HG22 1 1
9 1383 1 1 11 THR HG23 H 3.943 -4.576 4.271 1.00 . A A . 11 THR HG23 1 1
9 1384 1 1 11 THR N N 3.315 -1.521 1.482 1.00 . A A . 11 THR N 1 1
9 1385 1 1 11 THR O O 2.657 -2.463 4.851 1.00 . A A . 11 THR O 1 1
9 1386 1 1 11 THR OG1 O 5.589 -2.876 1.911 1.00 . A A . 11 THR OG1 1 1
9 1387 1 1 12 GLY C C -1.026 -0.883 4.000 1.00 . A A . 12 GLY C 1 1
9 1388 1 1 12 GLY CA C 0.422 -0.849 4.437 1.00 . A A . 12 GLY CA 1 1
9 1389 1 1 12 GLY H H 1.141 -1.131 2.462 1.00 . A A . 12 GLY H 1 1
9 1390 1 1 12 GLY HA2 H 0.538 -1.455 5.322 1.00 . A A . 12 GLY HA2 1 1
9 1391 1 1 12 GLY HA3 H 0.689 0.163 4.674 1.00 . A A . 12 GLY HA3 1 1
9 1392 1 1 12 GLY N N 1.317 -1.351 3.401 1.00 . A A . 12 GLY N 1 1
9 1393 1 1 12 GLY O O -1.584 0.140 3.590 1.00 . A A . 12 GLY O 1 1
9 1394 1 1 13 CYS C C -3.937 -2.278 4.921 1.00 . A A . 13 CYS C 1 1
9 1395 1 1 13 CYS CA C -3.016 -2.283 3.701 1.00 . A A . 13 CYS CA 1 1
9 1396 1 1 13 CYS CB C -3.152 -3.605 2.936 1.00 . A A . 13 CYS CB 1 1
9 1397 1 1 13 CYS H H -1.107 -2.820 4.445 1.00 . A A . 13 CYS H 1 1
9 1398 1 1 13 CYS HA H -3.303 -1.473 3.047 1.00 . A A . 13 CYS HA 1 1
9 1399 1 1 13 CYS HB2 H -2.630 -4.380 3.476 1.00 . A A . 13 CYS HB2 1 1
9 1400 1 1 13 CYS HB3 H -4.198 -3.865 2.866 1.00 . A A . 13 CYS HB3 1 1
9 1401 1 1 13 CYS N N -1.623 -2.067 4.095 1.00 . A A . 13 CYS N 1 1
9 1402 1 1 13 CYS O O -4.839 -1.416 4.974 1.00 . A A . 13 CYS O 1 1
9 1403 1 1 13 CYS OXT O -3.743 -3.128 5.819 1.00 . A A . 13 CYS OXT 1 1
9 1404 1 1 13 CYS SG S -2.475 -3.564 1.241 1.00 . A A . 13 CYS SG 1 1
10 1405 1 1 1 CYS C C -0.891 2.101 -4.719 1.00 . A A . 1 CYS C 1 1
10 1406 1 1 1 CYS CA C -0.814 3.094 -3.564 1.00 . A A . 1 CYS CA 1 1
10 1407 1 1 1 CYS CB C -2.180 3.754 -3.358 1.00 . A A . 1 CYS CB 1 1
10 1408 1 1 1 CYS H1 H 1.152 3.682 -3.939 1.00 . A A . 1 CYS H1 1 1
10 1409 1 1 1 CYS H2 H 0.263 4.800 -3.033 1.00 . A A . 1 CYS H2 1 1
10 1410 1 1 1 CYS H3 H -0.010 4.651 -4.695 1.00 . A A . 1 CYS H3 1 1
10 1411 1 1 1 CYS HA H -0.539 2.561 -2.665 1.00 . A A . 1 CYS HA 1 1
10 1412 1 1 1 CYS HB2 H -2.507 4.186 -4.292 1.00 . A A . 1 CYS HB2 1 1
10 1413 1 1 1 CYS HB3 H -2.891 3.003 -3.046 1.00 . A A . 1 CYS HB3 1 1
10 1414 1 1 1 CYS N N 0.220 4.129 -3.826 1.00 . A A . 1 CYS N 1 1
10 1415 1 1 1 CYS O O -0.943 2.500 -5.886 1.00 . A A . 1 CYS O 1 1
10 1416 1 1 1 CYS SG S -2.186 5.078 -2.105 1.00 . A A . 1 CYS SG 1 1
10 1417 1 1 2 CYS C C -2.411 -0.754 -5.544 1.00 . A A . 2 CYS C 1 1
10 1418 1 1 2 CYS CA C -0.969 -0.262 -5.378 1.00 . A A . 2 CYS CA 1 1
10 1419 1 1 2 CYS CB C -0.046 -1.422 -4.983 1.00 . A A . 2 CYS CB 1 1
10 1420 1 1 2 CYS H H -0.852 0.565 -3.431 1.00 . A A . 2 CYS H 1 1
10 1421 1 1 2 CYS HA H -0.634 0.146 -6.320 1.00 . A A . 2 CYS HA 1 1
10 1422 1 1 2 CYS HB2 H -0.432 -1.891 -4.090 1.00 . A A . 2 CYS HB2 1 1
10 1423 1 1 2 CYS HB3 H -0.028 -2.147 -5.784 1.00 . A A . 2 CYS HB3 1 1
10 1424 1 1 2 CYS N N -0.897 0.806 -4.380 1.00 . A A . 2 CYS N 1 1
10 1425 1 1 2 CYS O O -2.943 -0.764 -6.658 1.00 . A A . 2 CYS O 1 1
10 1426 1 1 2 CYS SG S 1.675 -0.924 -4.645 1.00 . A A . 2 CYS SG 1 1
10 1427 1 1 3 GLU C C -5.104 -1.245 -3.103 1.00 . A A . 3 GLU C 1 1
10 1428 1 1 3 GLU CA C -4.417 -1.645 -4.412 1.00 . A A . 3 GLU CA 1 1
10 1429 1 1 3 GLU CB C -4.464 -3.172 -4.604 1.00 . A A . 3 GLU CB 1 1
10 1430 1 1 3 GLU CD C -4.322 -5.121 -6.204 1.00 . A A . 3 GLU CD 1 1
10 1431 1 1 3 GLU CG C -4.270 -3.614 -6.045 1.00 . A A . 3 GLU CG 1 1
10 1432 1 1 3 GLU H H -2.539 -1.128 -3.577 1.00 . A A . 3 GLU H 1 1
10 1433 1 1 3 GLU HA H -4.936 -1.171 -5.233 1.00 . A A . 3 GLU HA 1 1
10 1434 1 1 3 GLU HB2 H -3.685 -3.621 -4.005 1.00 . A A . 3 GLU HB2 1 1
10 1435 1 1 3 GLU HB3 H -5.421 -3.535 -4.261 1.00 . A A . 3 GLU HB3 1 1
10 1436 1 1 3 GLU HG2 H -5.050 -3.177 -6.651 1.00 . A A . 3 GLU HG2 1 1
10 1437 1 1 3 GLU HG3 H -3.309 -3.262 -6.390 1.00 . A A . 3 GLU HG3 1 1
10 1438 1 1 3 GLU N N -3.032 -1.159 -4.424 1.00 . A A . 3 GLU N 1 1
10 1439 1 1 3 GLU O O -6.022 -0.419 -3.106 1.00 . A A . 3 GLU O 1 1
10 1440 1 1 3 GLU OE1 O -5.427 -5.657 -6.429 1.00 . A A . 3 GLU OE1 1 1
10 1441 1 1 3 GLU OE2 O -3.256 -5.765 -6.105 1.00 . A A . 3 GLU OE2 1 1
10 1442 1 1 4 LEU C C -4.139 -0.847 0.205 1.00 . A A . 4 LEU C 1 1
10 1443 1 1 4 LEU CA C -5.187 -1.549 -0.661 1.00 . A A . 4 LEU CA 1 1
10 1444 1 1 4 LEU CB C -5.650 -2.842 0.028 1.00 . A A . 4 LEU CB 1 1
10 1445 1 1 4 LEU CD1 C -6.631 -5.122 -0.344 1.00 . A A . 4 LEU CD1 1 1
10 1446 1 1 4 LEU CD2 C -8.117 -3.115 -0.420 1.00 . A A . 4 LEU CD2 1 1
10 1447 1 1 4 LEU CG C -6.721 -3.651 -0.719 1.00 . A A . 4 LEU CG 1 1
10 1448 1 1 4 LEU H H -3.939 -2.509 -2.079 1.00 . A A . 4 LEU H 1 1
10 1449 1 1 4 LEU HA H -6.033 -0.892 -0.783 1.00 . A A . 4 LEU HA 1 1
10 1450 1 1 4 LEU HB2 H -4.787 -3.476 0.168 1.00 . A A . 4 LEU HB2 1 1
10 1451 1 1 4 LEU HB3 H -6.043 -2.583 1.000 1.00 . A A . 4 LEU HB3 1 1
10 1452 1 1 4 LEU HD11 H -6.773 -5.231 0.721 1.00 . A A . 4 LEU HD11 1 1
10 1453 1 1 4 LEU HD12 H -5.660 -5.505 -0.619 1.00 . A A . 4 LEU HD12 1 1
10 1454 1 1 4 LEU HD13 H -7.398 -5.674 -0.868 1.00 . A A . 4 LEU HD13 1 1
10 1455 1 1 4 LEU HD21 H -8.850 -3.698 -0.958 1.00 . A A . 4 LEU HD21 1 1
10 1456 1 1 4 LEU HD22 H -8.181 -2.082 -0.731 1.00 . A A . 4 LEU HD22 1 1
10 1457 1 1 4 LEU HD23 H -8.310 -3.183 0.640 1.00 . A A . 4 LEU HD23 1 1
10 1458 1 1 4 LEU HG H -6.547 -3.565 -1.782 1.00 . A A . 4 LEU HG 1 1
10 1459 1 1 4 LEU N N -4.649 -1.840 -1.994 1.00 . A A . 4 LEU N 1 1
10 1460 1 1 4 LEU O O -4.480 -0.162 1.173 1.00 . A A . 4 LEU O 1 1
10 1461 1 1 5 CYS C C -1.406 0.938 0.013 1.00 . A A . 5 CYS C 1 1
10 1462 1 1 5 CYS CA C -1.733 -0.436 0.552 1.00 . A A . 5 CYS CA 1 1
10 1463 1 1 5 CYS CB C -0.500 -1.349 0.469 1.00 . A A . 5 CYS CB 1 1
10 1464 1 1 5 CYS H H -2.682 -1.598 -0.937 1.00 . A A . 5 CYS H 1 1
10 1465 1 1 5 CYS HA H -2.012 -0.309 1.576 1.00 . A A . 5 CYS HA 1 1
10 1466 1 1 5 CYS HB2 H -0.357 -1.650 -0.556 1.00 . A A . 5 CYS HB2 1 1
10 1467 1 1 5 CYS HB3 H 0.367 -0.792 0.795 1.00 . A A . 5 CYS HB3 1 1
10 1468 1 1 5 CYS N N -2.864 -1.032 -0.162 1.00 . A A . 5 CYS N 1 1
10 1469 1 1 5 CYS O O -1.009 1.096 -1.148 1.00 . A A . 5 CYS O 1 1
10 1470 1 1 5 CYS SG S -0.588 -2.872 1.477 1.00 . A A . 5 CYS SG 1 1
10 1471 1 1 6 CYS C C -0.115 3.845 1.309 1.00 . A A . 6 CYS C 1 1
10 1472 1 1 6 CYS CA C -1.323 3.304 0.526 1.00 . A A . 6 CYS CA 1 1
10 1473 1 1 6 CYS CB C -2.572 4.158 0.760 1.00 . A A . 6 CYS CB 1 1
10 1474 1 1 6 CYS H H -1.933 1.730 1.773 1.00 . A A . 6 CYS H 1 1
10 1475 1 1 6 CYS HA H -1.089 3.300 -0.516 1.00 . A A . 6 CYS HA 1 1
10 1476 1 1 6 CYS HB2 H -3.209 3.661 1.476 1.00 . A A . 6 CYS HB2 1 1
10 1477 1 1 6 CYS HB3 H -2.273 5.114 1.158 1.00 . A A . 6 CYS HB3 1 1
10 1478 1 1 6 CYS N N -1.595 1.932 0.877 1.00 . A A . 6 CYS N 1 1
10 1479 1 1 6 CYS O O -0.045 5.034 1.645 1.00 . A A . 6 CYS O 1 1
10 1480 1 1 6 CYS SG S -3.558 4.457 -0.742 1.00 . A A . 6 CYS SG 1 1
10 1481 1 1 7 ASN C C 3.188 3.688 1.333 1.00 . A A . 7 ASN C 1 1
10 1482 1 1 7 ASN CA C 2.060 3.271 2.302 1.00 . A A . 7 ASN CA 1 1
10 1483 1 1 7 ASN CB C 2.458 2.024 3.085 1.00 . A A . 7 ASN CB 1 1
10 1484 1 1 7 ASN CG C 2.758 2.253 4.543 1.00 . A A . 7 ASN CG 1 1
10 1485 1 1 7 ASN H H 0.737 2.031 1.252 1.00 . A A . 7 ASN H 1 1
10 1486 1 1 7 ASN HA H 1.845 4.076 2.984 1.00 . A A . 7 ASN HA 1 1
10 1487 1 1 7 ASN HB2 H 1.655 1.325 3.042 1.00 . A A . 7 ASN HB2 1 1
10 1488 1 1 7 ASN HB3 H 3.320 1.585 2.627 1.00 . A A . 7 ASN HB3 1 1
10 1489 1 1 7 ASN HD21 H 3.301 0.355 4.687 1.00 . A A . 7 ASN HD21 1 1
10 1490 1 1 7 ASN HD22 H 3.388 1.278 6.125 1.00 . A A . 7 ASN HD22 1 1
10 1491 1 1 7 ASN N N 0.847 2.951 1.567 1.00 . A A . 7 ASN N 1 1
10 1492 1 1 7 ASN ND2 N 3.198 1.191 5.187 1.00 . A A . 7 ASN ND2 1 1
10 1493 1 1 7 ASN O O 3.075 3.434 0.129 1.00 . A A . 7 ASN O 1 1
10 1494 1 1 7 ASN OD1 O 2.583 3.346 5.087 1.00 . A A . 7 ASN OD1 1 1
10 1495 1 1 8 PRO C C 6.391 3.615 0.632 1.00 . A A . 8 PRO C 1 1
10 1496 1 1 8 PRO CA C 5.417 4.760 0.960 1.00 . A A . 8 PRO CA 1 1
10 1497 1 1 8 PRO CB C 6.108 5.866 1.792 1.00 . A A . 8 PRO CB 1 1
10 1498 1 1 8 PRO CD C 4.561 4.717 3.218 1.00 . A A . 8 PRO CD 1 1
10 1499 1 1 8 PRO CG C 5.297 6.011 3.047 1.00 . A A . 8 PRO CG 1 1
10 1500 1 1 8 PRO HA H 5.050 5.170 0.037 1.00 . A A . 8 PRO HA 1 1
10 1501 1 1 8 PRO HB2 H 7.126 5.564 2.008 1.00 . A A . 8 PRO HB2 1 1
10 1502 1 1 8 PRO HB3 H 6.114 6.789 1.234 1.00 . A A . 8 PRO HB3 1 1
10 1503 1 1 8 PRO HD2 H 5.185 3.987 3.711 1.00 . A A . 8 PRO HD2 1 1
10 1504 1 1 8 PRO HD3 H 3.639 4.858 3.761 1.00 . A A . 8 PRO HD3 1 1
10 1505 1 1 8 PRO HG2 H 5.953 6.188 3.889 1.00 . A A . 8 PRO HG2 1 1
10 1506 1 1 8 PRO HG3 H 4.593 6.823 2.941 1.00 . A A . 8 PRO HG3 1 1
10 1507 1 1 8 PRO N N 4.297 4.331 1.822 1.00 . A A . 8 PRO N 1 1
10 1508 1 1 8 PRO O O 7.588 3.828 0.403 1.00 . A A . 8 PRO O 1 1
10 1509 1 1 9 ALA C C 5.645 0.075 -0.230 1.00 . A A . 9 ALA C 1 1
10 1510 1 1 9 ALA CA C 6.581 1.170 0.301 1.00 . A A . 9 ALA CA 1 1
10 1511 1 1 9 ALA CB C 7.315 0.672 1.547 1.00 . A A . 9 ALA CB 1 1
10 1512 1 1 9 ALA H H 4.871 2.340 0.754 1.00 . A A . 9 ALA H 1 1
10 1513 1 1 9 ALA HA H 7.317 1.398 -0.457 1.00 . A A . 9 ALA HA 1 1
10 1514 1 1 9 ALA HB1 H 7.897 -0.202 1.297 1.00 . A A . 9 ALA HB1 1 1
10 1515 1 1 9 ALA HB2 H 6.596 0.419 2.312 1.00 . A A . 9 ALA HB2 1 1
10 1516 1 1 9 ALA HB3 H 7.970 1.449 1.913 1.00 . A A . 9 ALA HB3 1 1
10 1517 1 1 9 ALA N N 5.834 2.402 0.593 1.00 . A A . 9 ALA N 1 1
10 1518 1 1 9 ALA O O 6.094 -1.019 -0.587 1.00 . A A . 9 ALA O 1 1
10 1519 1 1 10 CYS C C 3.139 -1.765 0.164 1.00 . A A . 10 CYS C 1 1
10 1520 1 1 10 CYS CA C 3.271 -0.535 -0.759 1.00 . A A . 10 CYS CA 1 1
10 1521 1 1 10 CYS CB C 3.511 -0.961 -2.224 1.00 . A A . 10 CYS CB 1 1
10 1522 1 1 10 CYS H H 4.059 1.290 0.001 1.00 . A A . 10 CYS H 1 1
10 1523 1 1 10 CYS HA H 2.338 0.010 -0.713 1.00 . A A . 10 CYS HA 1 1
10 1524 1 1 10 CYS HB2 H 3.640 -0.078 -2.831 1.00 . A A . 10 CYS HB2 1 1
10 1525 1 1 10 CYS HB3 H 4.409 -1.560 -2.274 1.00 . A A . 10 CYS HB3 1 1
10 1526 1 1 10 CYS N N 4.329 0.392 -0.287 1.00 . A A . 10 CYS N 1 1
10 1527 1 1 10 CYS O O 2.864 -2.883 -0.291 1.00 . A A . 10 CYS O 1 1
10 1528 1 1 10 CYS SG S 2.152 -1.936 -2.950 1.00 . A A . 10 CYS SG 1 1
10 1529 1 1 11 THR C C 2.382 -2.133 3.685 1.00 . A A . 11 THR C 1 1
10 1530 1 1 11 THR CA C 3.226 -2.590 2.479 1.00 . A A . 11 THR CA 1 1
10 1531 1 1 11 THR CB C 4.639 -3.038 2.949 1.00 . A A . 11 THR CB 1 1
10 1532 1 1 11 THR CG2 C 4.632 -4.492 3.414 1.00 . A A . 11 THR CG2 1 1
10 1533 1 1 11 THR H H 3.514 -0.615 1.763 1.00 . A A . 11 THR H 1 1
10 1534 1 1 11 THR HA H 2.737 -3.437 2.020 1.00 . A A . 11 THR HA 1 1
10 1535 1 1 11 THR HB H 4.942 -2.413 3.776 1.00 . A A . 11 THR HB 1 1
10 1536 1 1 11 THR HG1 H 6.284 -3.548 1.983 1.00 . A A . 11 THR HG1 1 1
10 1537 1 1 11 THR HG21 H 4.320 -5.129 2.599 1.00 . A A . 11 THR HG21 1 1
10 1538 1 1 11 THR HG22 H 3.946 -4.602 4.240 1.00 . A A . 11 THR HG22 1 1
10 1539 1 1 11 THR HG23 H 5.626 -4.773 3.731 1.00 . A A . 11 THR HG23 1 1
10 1540 1 1 11 THR N N 3.317 -1.530 1.470 1.00 . A A . 11 THR N 1 1
10 1541 1 1 11 THR O O 2.670 -2.485 4.837 1.00 . A A . 11 THR O 1 1
10 1542 1 1 11 THR OG1 O 5.588 -2.895 1.882 1.00 . A A . 11 THR OG1 1 1
10 1543 1 1 12 GLY C C -1.011 -0.885 4.007 1.00 . A A . 12 GLY C 1 1
10 1544 1 1 12 GLY CA C 0.439 -0.863 4.440 1.00 . A A . 12 GLY CA 1 1
10 1545 1 1 12 GLY H H 1.148 -1.137 2.461 1.00 . A A . 12 GLY H 1 1
10 1546 1 1 12 GLY HA2 H 0.553 -1.475 5.321 1.00 . A A . 12 GLY HA2 1 1
10 1547 1 1 12 GLY HA3 H 0.712 0.146 4.684 1.00 . A A . 12 GLY HA3 1 1
10 1548 1 1 12 GLY N N 1.327 -1.363 3.398 1.00 . A A . 12 GLY N 1 1
10 1549 1 1 12 GLY O O -1.563 0.142 3.601 1.00 . A A . 12 GLY O 1 1
10 1550 1 1 13 CYS C C -3.930 -2.259 4.934 1.00 . A A . 13 CYS C 1 1
10 1551 1 1 13 CYS CA C -3.012 -2.270 3.711 1.00 . A A . 13 CYS CA 1 1
10 1552 1 1 13 CYS CB C -3.160 -3.589 2.944 1.00 . A A . 13 CYS CB 1 1
10 1553 1 1 13 CYS H H -1.106 -2.822 4.449 1.00 . A A . 13 CYS H 1 1
10 1554 1 1 13 CYS HA H -3.294 -1.456 3.058 1.00 . A A . 13 CYS HA 1 1
10 1555 1 1 13 CYS HB2 H -2.642 -4.369 3.482 1.00 . A A . 13 CYS HB2 1 1
10 1556 1 1 13 CYS HB3 H -4.208 -3.842 2.878 1.00 . A A . 13 CYS HB3 1 1
10 1557 1 1 13 CYS N N -1.617 -2.065 4.101 1.00 . A A . 13 CYS N 1 1
10 1558 1 1 13 CYS O O -3.743 -3.113 5.828 1.00 . A A . 13 CYS O 1 1
10 1559 1 1 13 CYS OXT O -4.830 -1.394 4.986 1.00 . A A . 13 CYS OXT 1 1
10 1560 1 1 13 CYS SG S -2.490 -3.551 1.247 1.00 . A A . 13 CYS SG 1 1
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