NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
400589 |
1v46   |
6006 | cing | 4-filtered-FRED | STAR | entry | full | 69 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1v46
# This FRED archive file contains, for PDB entry <1v46>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1v46
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1v46
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 941.08
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 $Cardioactive_Peptide A . 1 1
stop_
save_
save_Cardioactive_Peptide
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Cardioactive Peptide"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code PFCNAFTGC
_Entity.Number_of_monomers 9
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 PRO . 1 1
2 PHE . 1 1
3 CYS . 1 1
4 ASN . 1 1
5 ALA . 1 1
6 PHE . 1 1
7 THR . 1 1
8 GLY . 1 1
9 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
PRO 1 1 1 1
PHE 2 2 1 1
CYS 3 3 1 1
ASN 4 4 1 1
ALA 5 5 1 1
PHE 6 6 1 1
THR 7 7 1 1
GLY 8 8 1 1
CYS 9 9 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
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 PRO HA . 1 NPRO HA 1 1
1 1 2 1 1 2 PHE H . 2 PHE HN 1 1
2 1 1 1 1 1 PRO QB . 1 NPRO QB 1 1
2 1 2 1 1 2 PHE H . 2 PHE HN 1 1
3 1 1 1 1 1 PRO HB2 . 1 NPRO HB2 1 1
3 1 2 1 1 2 PHE H . 2 PHE HN 1 1
4 1 1 1 1 1 PRO HB3 . 1 NPRO HB3 1 1
4 1 2 1 1 2 PHE H . 2 PHE HN 1 1
5 1 1 1 1 2 PHE H . 2 PHE HN 1 1
5 1 2 1 1 2 PHE HA . 2 PHE HA 1 1
6 1 1 1 1 2 PHE H . 2 PHE HN 1 1
6 1 2 1 1 2 PHE HB2 . 2 PHE HB2 1 1
7 1 1 1 1 2 PHE H . 2 PHE HN 1 1
7 1 2 1 1 2 PHE HB3 . 2 PHE HB3 1 1
8 1 1 1 1 2 PHE HA . 2 PHE HA 1 1
8 1 2 1 1 2 PHE HB2 . 2 PHE HB2 1 1
9 1 1 1 1 2 PHE HA . 2 PHE HA 1 1
9 1 2 1 1 2 PHE HB3 . 2 PHE HB3 1 1
10 1 1 1 1 2 PHE HA . 2 PHE HA 1 1
10 1 2 1 1 3 CYS H . 3 CYSS HN 1 1
11 1 1 1 1 2 PHE HB3 . 2 PHE HB3 1 1
11 1 2 1 1 3 CYS H . 3 CYSS HN 1 1
12 1 1 1 1 3 CYS CB . 3 CYSS CB 1 1
12 1 2 1 1 9 CYS SG . 9 CYSS SG 1 1
13 1 1 1 1 3 CYS H . 3 CYSS HN 1 1
13 1 2 1 1 3 CYS HB2 . 3 CYSS HB2 1 1
14 1 1 1 1 3 CYS H . 3 CYSS HN 1 1
14 1 2 1 1 3 CYS HB3 . 3 CYSS HB3 1 1
15 1 1 1 1 3 CYS HA . 3 CYSS HA 1 1
15 1 2 1 1 3 CYS HB2 . 3 CYSS HB2 1 1
16 1 1 1 1 3 CYS HA . 3 CYSS HA 1 1
16 1 2 1 1 3 CYS HB3 . 3 CYSS HB3 1 1
17 1 1 1 1 3 CYS HA . 3 CYSS HA 1 1
17 1 2 1 1 4 ASN H . 4 ASN HN 1 1
18 1 1 1 1 3 CYS HB2 . 3 CYSS HB2 1 1
18 1 2 1 1 4 ASN H . 4 ASN HN 1 1
19 1 1 1 1 3 CYS HB3 . 3 CYSS HB3 1 1
19 1 2 1 1 4 ASN H . 4 ASN HN 1 1
20 1 1 1 1 3 CYS SG . 3 CYSS SG 1 1
20 1 2 1 1 9 CYS CB . 9 CYSS CB 1 1
21 1 1 1 1 3 CYS SG . 3 CYSS SG 1 1
21 1 2 1 1 9 CYS SG . 9 CYSS SG 1 1
22 1 1 1 1 4 ASN H . 4 ASN HN 1 1
22 1 2 1 1 4 ASN HB2 . 4 ASN HB2 1 1
23 1 1 1 1 4 ASN H . 4 ASN HN 1 1
23 1 2 1 1 4 ASN HB3 . 4 ASN HB3 1 1
24 1 1 1 1 4 ASN H . 4 ASN HN 1 1
24 1 2 1 1 7 THR MG . 7 THR QG2 1 1
25 1 1 1 1 4 ASN H . 4 ASN HN 1 1
25 1 2 1 1 8 GLY H . 8 GLY HN 1 1
26 1 1 1 1 4 ASN H . 4 ASN HN 1 1
26 1 2 1 1 8 GLY QA . 8 GLY QA 1 1
27 1 1 1 1 4 ASN HA . 4 ASN HA 1 1
27 1 2 1 1 4 ASN HB3 . 4 ASN HB3 1 1
28 1 1 1 1 4 ASN HA . 4 ASN HA 1 1
28 1 2 1 1 5 ALA H . 5 ALA HN 1 1
29 1 1 1 1 4 ASN HA . 4 ASN HA 1 1
29 1 2 1 1 7 THR MG . 7 THR QG2 1 1
30 1 1 1 1 4 ASN HB2 . 4 ASN HB2 1 1
30 1 2 1 1 7 THR H . 7 THR HN 1 1
31 1 1 1 1 4 ASN HB2 . 4 ASN HB2 1 1
31 1 2 1 1 7 THR MG . 7 THR QG2 1 1
32 1 1 1 1 4 ASN HB2 . 4 ASN HB2 1 1
32 1 2 1 1 8 GLY H . 8 GLY HN 1 1
33 1 1 1 1 4 ASN HB3 . 4 ASN HB3 1 1
33 1 2 1 1 4 ASN QD . 4 ASN QD2 1 1
34 1 1 1 1 4 ASN HB3 . 4 ASN HB3 1 1
34 1 2 1 1 4 ASN HD22 . 4 ASN HD22 1 1
35 1 1 1 1 4 ASN HB3 . 4 ASN HB3 1 1
35 1 2 1 1 7 THR MG . 7 THR QG2 1 1
36 1 1 1 1 4 ASN QD . 4 ASN QD2 1 1
36 1 2 1 1 7 THR MG . 7 THR QG2 1 1
37 1 1 1 1 4 ASN QD . 4 ASN QD2 1 1
37 1 2 1 1 8 GLY QA . 8 GLY QA 1 1
38 1 1 1 1 4 ASN HD21 . 4 ASN HD21 1 1
38 1 2 1 1 7 THR MG . 7 THR QG2 1 1
39 1 1 1 1 4 ASN HD21 . 4 ASN HD21 1 1
39 1 2 1 1 8 GLY HA2 . 8 GLY HA1 1 1
40 1 1 1 1 4 ASN HD21 . 4 ASN HD21 1 1
40 1 2 1 1 8 GLY HA3 . 8 GLY HA2 1 1
41 1 1 1 1 4 ASN HD22 . 4 ASN HD22 1 1
41 1 2 1 1 7 THR MG . 7 THR QG2 1 1
42 1 1 1 1 4 ASN HD22 . 4 ASN HD22 1 1
42 1 2 1 1 8 GLY HA2 . 8 GLY HA1 1 1
43 1 1 1 1 4 ASN HD22 . 4 ASN HD22 1 1
43 1 2 1 1 8 GLY HA3 . 8 GLY HA2 1 1
44 1 1 1 1 5 ALA H . 5 ALA HN 1 1
44 1 2 1 1 6 PHE H . 6 PHE HN 1 1
45 1 1 1 1 5 ALA HA . 5 ALA HA 1 1
45 1 2 1 1 6 PHE H . 6 PHE HN 1 1
46 1 1 1 1 6 PHE H . 6 PHE HN 1 1
46 1 2 1 1 6 PHE HA . 6 PHE HA 1 1
47 1 1 1 1 6 PHE H . 6 PHE HN 1 1
47 1 2 1 1 6 PHE QB . 6 PHE QB 1 1
48 1 1 1 1 6 PHE H . 6 PHE HN 1 1
48 1 2 1 1 7 THR H . 7 THR HN 1 1
49 1 1 1 1 6 PHE HA . 6 PHE HA 1 1
49 1 2 1 1 7 THR MG . 7 THR QG2 1 1
50 1 1 1 1 6 PHE QB . 6 PHE QB 1 1
50 1 2 1 1 7 THR H . 7 THR HN 1 1
51 1 1 1 1 6 PHE QB . 6 PHE QB 1 1
51 1 2 1 1 7 THR HA . 7 THR HA 1 1
52 1 1 1 1 6 PHE QB . 6 PHE QB 1 1
52 1 2 1 1 7 THR MG . 7 THR QG2 1 1
53 1 1 1 1 6 PHE QR . 6 PHE QR 1 1
53 1 2 1 1 7 THR MG . 7 THR QG2 1 1
54 1 1 1 1 7 THR H . 7 THR HN 1 1
54 1 2 1 1 7 THR MG . 7 THR QG2 1 1
55 1 1 1 1 7 THR HA . 7 THR HA 1 1
55 1 2 1 1 8 GLY H . 8 GLY HN 1 1
56 1 1 1 1 8 GLY H . 8 GLY HN 1 1
56 1 2 1 1 8 GLY QA . 8 GLY QA 1 1
57 1 1 1 1 8 GLY QA . 8 GLY QA 1 1
57 1 2 1 1 9 CYS H . 9 CYSS HN 1 1
58 1 1 1 1 8 GLY HA2 . 8 GLY HA1 1 1
58 1 2 1 1 9 CYS H . 9 CYSS HN 1 1
59 1 1 1 1 8 GLY HA3 . 8 GLY HA2 1 1
59 1 2 1 1 9 CYS H . 9 CYSS HN 1 1
60 1 1 1 1 9 CYS H . 9 CYSS HN 1 1
60 1 2 1 1 9 CYS HB2 . 9 CYSS HB2 1 1
61 1 1 1 1 9 CYS H . 9 CYSS HN 1 1
61 1 2 1 1 9 CYS HB3 . 9 CYSS HB3 1 1
62 1 1 1 1 9 CYS HA . 9 CYSS HA 1 1
62 1 2 1 1 9 CYS HB3 . 9 CYSS HB3 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 2.84 1 1
2 1 . . . . . . . 3.83 1 1
3 1 . . . . . . . 3.98 1 1
4 1 . . . . . . . 3.98 1 1
5 1 . . . . . . . 2.79 1 1
6 1 . . . . . . . 3.26 1 1
7 1 . . . . . . . 3.83 1 1
8 1 . . . . . . . 2.72 1 1
9 1 . . . . . . . 2.77 1 1
10 1 . . . . . . . 2.68 1 1
11 1 . . . . . . . 3.52 1 1
12 1 . . . . . . . 3.0 1 1
13 1 . . . . . . . 3.15 1 1
14 1 . . . . . . . 3.72 1 1
15 1 . . . . . . . 2.92 1 1
16 1 . . . . . . . 2.92 1 1
17 1 . . . . . . . 2.42 1 1
18 1 . . . . . . . 3.62 1 1
19 1 . . . . . . . 3.05 1 1
20 1 . . . . . . . 3.0 1 1
21 1 . . . . . . . 2.0 1 1
22 1 . . . . . . . 2.94 1 1
23 1 . . . . . . . 3.05 1 1
24 1 . . . . . . . 5.79 1 1
25 1 . . . . . . . 4.09 1 1
26 1 . . . . . . . 4.56 1 1
27 1 . . . . . . . 2.92 1 1
28 1 . . . . . . . 2.58 1 1
29 1 . . . . . . . 5.48 1 1
30 1 . . . . . . . 3.46 1 1
31 1 . . . . . . . 6.21 1 1
32 1 . . . . . . . 3.98 1 1
33 1 . . . . . . . 3.32 1 1
34 1 . . . . . . . 3.78 1 1
35 1 . . . . . . . 5.79 1 1
36 1 . . . . . . . 5.65 1 1
37 1 . . . . . . . 4.18 1 1
38 1 . . . . . . . 5.9 1 1
39 1 . . . . . . . 5.19 1 1
40 1 . . . . . . . 5.19 1 1
41 1 . . . . . . . 5.9 1 1
42 1 . . . . . . . 5.19 1 1
43 1 . . . . . . . 5.19 1 1
44 1 . . . . . . . 5.34 1 1
45 1 . . . . . . . 3.46 1 1
46 1 . . . . . . . 2.98 1 1
47 1 . . . . . . . 3.78 1 1
48 1 . . . . . . . 2.63 1 1
49 1 . . . . . . . 5.48 1 1
50 1 . . . . . . . 4.04 1 1
51 1 . . . . . . . 5.23 1 1
52 1 . . . . . . . 5.79 1 1
53 1 . . . . . . . 8.64 1 1
54 1 . . . . . . . 4.54 1 1
55 1 . . . . . . . 3.41 1 1
56 1 . . . . . . . 2.43 1 1
57 1 . . . . . . . 3.14 1 1
58 1 . . . . . . . 3.46 1 1
59 1 . . . . . . . 3.46 1 1
60 1 . . . . . . . 3.72 1 1
61 1 . . . . . . . 3.15 1 1
62 1 . . . . . . . 2.87 1 1
stop_
save_
save_DYANA/DIANA_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI 1 1 4 ASN C 1 1 5 ALA N 1 1 5 ALA CA 1 1 5 ALA C -89.99999 -40.0 . . . . . . . . . . . . . . . . 1 1
2 PHI 1 1 6 PHE C 1 1 7 THR N 1 1 7 THR CA 1 1 7 THR C -89.99999 -40.0 . . . . . . . . . . . . . . . . 1 1
3 PHI 1 1 7 THR C 1 1 8 GLY N 1 1 8 GLY CA 1 1 8 GLY C -89.99999 -40.0 . . . . . . . . . . . . . . . . 1 1
4 CHI1 1 1 2 PHE N 1 1 2 PHE CA 1 1 2 PHE CB 1 1 2 PHE CG -110.0 -10.0 . . . . . . . . . . . . . . . . 1 1
5 CHI1 1 1 3 CYS N 1 1 3 CYS CA 1 1 3 CYS CB 1 1 3 CYS SG -110.0 -10.0 . . . . . . . . . . . . . . . . 1 1
6 CHI1 1 1 4 ASN N 1 1 4 ASN CA 1 1 4 ASN CB 1 1 4 ASN CG 130.0 230.00002 . . . . . . . . . . . . . . . . 1 1
7 CHI1 1 1 9 CYS N 1 1 9 CYS CA 1 1 9 CYS CB 1 1 9 CYS SG -110.0 -10.0 . . . . . . . . . . . . . . . . 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 PRO C C 0.991 2.426 -0.033 1.00 . A A . 1 PRO C 1 1
1 2 1 1 1 PRO CA C 1.496 1.182 0.682 1.00 . A A . 1 PRO CA 1 1
1 3 1 1 1 PRO CB C 3.018 1.085 0.603 1.00 . A A . 1 PRO CB 1 1
1 4 1 1 1 PRO CD C 2.080 -0.664 -0.719 1.00 . A A . 1 PRO CD 1 1
1 5 1 1 1 PRO CG C 3.242 0.326 -0.704 1.00 . A A . 1 PRO CG 1 1
1 6 1 1 1 PRO H2 H 0.000 0.000 0.000 1.00 . A A . 1 PRO H2 1 1
1 7 1 1 1 PRO H3 H 1.352 0.000 -0.956 1.00 . A A . 1 PRO H3 1 1
1 8 1 1 1 PRO HA H 1.170 1.194 1.722 1.00 . A A . 1 PRO HA 1 1
1 9 1 1 1 PRO HB2 H 3.496 2.065 0.602 1.00 . A A . 1 PRO HB2 1 1
1 10 1 1 1 PRO HB3 H 3.383 0.480 1.434 1.00 . A A . 1 PRO HB3 1 1
1 11 1 1 1 PRO HD2 H 1.786 -0.902 -1.741 1.00 . A A . 1 PRO HD2 1 1
1 12 1 1 1 PRO HD3 H 2.360 -1.571 -0.184 1.00 . A A . 1 PRO HD3 1 1
1 13 1 1 1 PRO HG2 H 3.136 1.017 -1.540 1.00 . A A . 1 PRO HG2 1 1
1 14 1 1 1 PRO HG3 H 4.211 -0.173 -0.734 1.00 . A A . 1 PRO HG3 1 1
1 15 1 1 1 PRO N N 1.014 0.000 0.000 1.00 . A A . 1 PRO N 1 1
1 16 1 1 1 PRO O O -0.041 2.386 -0.701 1.00 . A A . 1 PRO O 1 1
1 17 1 1 2 PHE C C 0.868 4.521 -1.945 1.00 . A A . 2 PHE C 1 1
1 18 1 1 2 PHE CA C 1.340 4.784 -0.522 1.00 . A A . 2 PHE CA 1 1
1 19 1 1 2 PHE CB C 2.530 5.739 -0.514 1.00 . A A . 2 PHE CB 1 1
1 20 1 1 2 PHE CD1 C 4.534 4.251 -0.159 1.00 . A A . 2 PHE CD1 1 1
1 21 1 1 2 PHE CD2 C 3.910 5.805 1.595 1.00 . A A . 2 PHE CD2 1 1
1 22 1 1 2 PHE CE1 C 5.605 3.800 0.621 1.00 . A A . 2 PHE CE1 1 1
1 23 1 1 2 PHE CE2 C 4.981 5.353 2.375 1.00 . A A . 2 PHE CE2 1 1
1 24 1 1 2 PHE CG C 3.687 5.254 0.327 1.00 . A A . 2 PHE CG 1 1
1 25 1 1 2 PHE CZ C 5.828 4.351 1.889 1.00 . A A . 2 PHE CZ 1 1
1 26 1 1 2 PHE H H 2.560 3.516 0.669 1.00 . A A . 2 PHE H 1 1
1 27 1 1 2 PHE HA H 0.523 5.232 0.044 1.00 . A A . 2 PHE HA 1 1
1 28 1 1 2 PHE HB2 H 2.877 5.870 -1.539 1.00 . A A . 2 PHE HB2 1 1
1 29 1 1 2 PHE HB3 H 2.200 6.704 -0.130 1.00 . A A . 2 PHE HB3 1 1
1 30 1 1 2 PHE HD1 H 4.361 3.826 -1.137 1.00 . A A . 2 PHE HD1 1 1
1 31 1 1 2 PHE HD2 H 3.255 6.577 1.970 1.00 . A A . 2 PHE HD2 1 1
1 32 1 1 2 PHE HE1 H 6.259 3.027 0.246 1.00 . A A . 2 PHE HE1 1 1
1 33 1 1 2 PHE HE2 H 5.152 5.778 3.353 1.00 . A A . 2 PHE HE2 1 1
1 34 1 1 2 PHE HZ H 6.654 4.003 2.491 1.00 . A A . 2 PHE HZ 1 1
1 35 1 1 2 PHE N N 1.719 3.536 0.109 1.00 . A A . 2 PHE N 1 1
1 36 1 1 2 PHE O O 1.248 3.523 -2.553 1.00 . A A . 2 PHE O 1 1
1 37 1 1 3 CYS C C 0.633 4.856 -4.762 1.00 . A A . 3 CYS C 1 1
1 38 1 1 3 CYS CA C -0.484 5.283 -3.820 1.00 . A A . 3 CYS CA 1 1
1 39 1 1 3 CYS CB C -1.093 6.609 -4.267 1.00 . A A . 3 CYS CB 1 1
1 40 1 1 3 CYS H H -0.247 6.223 -1.931 1.00 . A A . 3 CYS H 1 1
1 41 1 1 3 CYS HA H -1.261 4.518 -3.823 1.00 . A A . 3 CYS HA 1 1
1 42 1 1 3 CYS HB2 H -0.295 7.348 -4.343 1.00 . A A . 3 CYS HB2 1 1
1 43 1 1 3 CYS HB3 H -1.536 6.471 -5.254 1.00 . A A . 3 CYS HB3 1 1
1 44 1 1 3 CYS N N 0.035 5.420 -2.474 1.00 . A A . 3 CYS N 1 1
1 45 1 1 3 CYS O O 1.808 5.069 -4.472 1.00 . A A . 3 CYS O 1 1
1 46 1 1 3 CYS SG S -2.365 7.248 -3.150 1.00 . A A . 3 CYS SG 1 1
1 47 1 1 4 ASN C C 0.783 4.193 -8.270 1.00 . A A . 4 ASN C 1 1
1 48 1 1 4 ASN CA C 1.234 3.802 -6.870 1.00 . A A . 4 ASN CA 1 1
1 49 1 1 4 ASN CB C 1.400 2.289 -6.759 1.00 . A A . 4 ASN CB 1 1
1 50 1 1 4 ASN CG C 2.872 1.903 -6.741 1.00 . A A . 4 ASN CG 1 1
1 51 1 1 4 ASN H H -0.717 4.101 -6.086 1.00 . A A . 4 ASN H 1 1
1 52 1 1 4 ASN HA H 2.192 4.278 -6.663 1.00 . A A . 4 ASN HA 1 1
1 53 1 1 4 ASN HB2 H 0.927 1.944 -5.839 1.00 . A A . 4 ASN HB2 1 1
1 54 1 1 4 ASN HB3 H 0.916 1.812 -7.611 1.00 . A A . 4 ASN HB3 1 1
1 55 1 1 4 ASN HD21 H 2.455 0.187 -5.727 1.00 . A A . 4 ASN HD21 1 1
1 56 1 1 4 ASN HD22 H 4.145 0.449 -6.099 1.00 . A A . 4 ASN HD22 1 1
1 57 1 1 4 ASN N N 0.263 4.253 -5.894 1.00 . A A . 4 ASN N 1 1
1 58 1 1 4 ASN ND2 N 3.183 0.752 -6.140 1.00 . A A . 4 ASN ND2 1 1
1 59 1 1 4 ASN O O -0.272 4.800 -8.439 1.00 . A A . 4 ASN O 1 1
1 60 1 1 4 ASN OD1 O 3.713 2.634 -7.259 1.00 . A A . 4 ASN OD1 1 1
1 61 1 1 5 ALA C C -0.137 3.677 -10.982 1.00 . A A . 5 ALA C 1 1
1 62 1 1 5 ALA CA C 1.270 4.156 -10.654 1.00 . A A . 5 ALA CA 1 1
1 63 1 1 5 ALA CB C 2.293 3.496 -11.574 1.00 . A A . 5 ALA CB 1 1
1 64 1 1 5 ALA H H 2.444 3.342 -9.082 1.00 . A A . 5 ALA H 1 1
1 65 1 1 5 ALA HA H 1.316 5.236 -10.791 1.00 . A A . 5 ALA HA 1 1
1 66 1 1 5 ALA HB1 H 1.879 3.414 -12.579 1.00 . A A . 5 ALA HB1 1 1
1 67 1 1 5 ALA HB2 H 3.199 4.101 -11.603 1.00 . A A . 5 ALA HB2 1 1
1 68 1 1 5 ALA HB3 H 2.532 2.501 -11.198 1.00 . A A . 5 ALA HB3 1 1
1 69 1 1 5 ALA N N 1.587 3.841 -9.276 1.00 . A A . 5 ALA N 1 1
1 70 1 1 5 ALA O O -0.745 4.140 -11.944 1.00 . A A . 5 ALA O 1 1
1 71 1 1 6 PHE C C -2.173 0.952 -9.550 1.00 . A A . 6 PHE C 1 1
1 72 1 1 6 PHE CA C -1.985 2.211 -10.385 1.00 . A A . 6 PHE CA 1 1
1 73 1 1 6 PHE CB C -2.184 1.911 -11.868 1.00 . A A . 6 PHE CB 1 1
1 74 1 1 6 PHE CD1 C -4.420 3.066 -12.022 1.00 . A A . 6 PHE CD1 1 1
1 75 1 1 6 PHE CD2 C -2.748 3.533 -13.714 1.00 . A A . 6 PHE CD2 1 1
1 76 1 1 6 PHE CE1 C -5.306 3.946 -12.654 1.00 . A A . 6 PHE CE1 1 1
1 77 1 1 6 PHE CE2 C -3.634 4.413 -14.346 1.00 . A A . 6 PHE CE2 1 1
1 78 1 1 6 PHE CG C -3.141 2.859 -12.552 1.00 . A A . 6 PHE CG 1 1
1 79 1 1 6 PHE CZ C -4.913 4.620 -13.816 1.00 . A A . 6 PHE CZ 1 1
1 80 1 1 6 PHE H H -0.113 2.398 -9.398 1.00 . A A . 6 PHE H 1 1
1 81 1 1 6 PHE HA H -2.719 2.955 -10.073 1.00 . A A . 6 PHE HA 1 1
1 82 1 1 6 PHE HB2 H -1.218 1.972 -12.369 1.00 . A A . 6 PHE HB2 1 1
1 83 1 1 6 PHE HB3 H -2.568 0.896 -11.970 1.00 . A A . 6 PHE HB3 1 1
1 84 1 1 6 PHE HD1 H -4.723 2.546 -11.125 1.00 . A A . 6 PHE HD1 1 1
1 85 1 1 6 PHE HD2 H -1.761 3.374 -14.122 1.00 . A A . 6 PHE HD2 1 1
1 86 1 1 6 PHE HE1 H -6.293 4.106 -12.245 1.00 . A A . 6 PHE HE1 1 1
1 87 1 1 6 PHE HE2 H -3.330 4.934 -15.243 1.00 . A A . 6 PHE HE2 1 1
1 88 1 1 6 PHE HZ H -5.596 5.299 -14.304 1.00 . A A . 6 PHE HZ 1 1
1 89 1 1 6 PHE N N -0.655 2.746 -10.177 1.00 . A A . 6 PHE N 1 1
1 90 1 1 6 PHE O O -3.272 0.407 -9.482 1.00 . A A . 6 PHE O 1 1
1 91 1 1 7 THR C C -1.481 -0.318 -6.652 1.00 . A A . 7 THR C 1 1
1 92 1 1 7 THR CA C -1.148 -0.698 -8.087 1.00 . A A . 7 THR CA 1 1
1 93 1 1 7 THR CB C 0.192 -1.425 -8.156 1.00 . A A . 7 THR CB 1 1
1 94 1 1 7 THR CG2 C 1.319 -0.405 -8.288 1.00 . A A . 7 THR CG2 1 1
1 95 1 1 7 THR H H -0.212 0.976 -9.001 1.00 . A A . 7 THR H 1 1
1 96 1 1 7 THR HA H -1.928 -1.357 -8.468 1.00 . A A . 7 THR HA 1 1
1 97 1 1 7 THR HB H 0.200 -2.090 -9.020 1.00 . A A . 7 THR HB 1 1
1 98 1 1 7 THR HG1 H -0.462 -2.235 -6.517 1.00 . A A . 7 THR HG1 1 1
1 99 1 1 7 THR HG21 H 2.214 -0.899 -8.668 1.00 . A A . 7 THR HG21 1 1
1 100 1 1 7 THR HG22 H 1.017 0.382 -8.980 1.00 . A A . 7 THR HG22 1 1
1 101 1 1 7 THR HG23 H 1.531 0.031 -7.312 1.00 . A A . 7 THR HG23 1 1
1 102 1 1 7 THR N N -1.094 0.491 -8.913 1.00 . A A . 7 THR N 1 1
1 103 1 1 7 THR O O -2.572 -0.607 -6.165 1.00 . A A . 7 THR O 1 1
1 104 1 1 7 THR OG1 O 0.378 -2.181 -6.980 1.00 . A A . 7 THR OG1 1 1
1 105 1 1 8 GLY C C -2.138 1.306 -4.413 1.00 . A A . 8 GLY C 1 1
1 106 1 1 8 GLY CA C -0.734 0.750 -4.598 1.00 . A A . 8 GLY CA 1 1
1 107 1 1 8 GLY H H 0.346 0.549 -6.418 1.00 . A A . 8 GLY H 1 1
1 108 1 1 8 GLY HA2 H -0.596 -0.108 -3.939 1.00 . A A . 8 GLY HA2 1 1
1 109 1 1 8 GLY HA3 H -0.005 1.520 -4.345 1.00 . A A . 8 GLY HA3 1 1
1 110 1 1 8 GLY N N -0.535 0.334 -5.972 1.00 . A A . 8 GLY N 1 1
1 111 1 1 8 GLY O O -3.042 0.591 -3.984 1.00 . A A . 8 GLY O 1 1
1 112 1 1 9 CYS C C -4.556 2.719 -5.684 1.00 . A A . 9 CYS C 1 1
1 113 1 1 9 CYS CA C -3.610 3.235 -4.609 1.00 . A A . 9 CYS CA 1 1
1 114 1 1 9 CYS CB C -3.433 4.747 -4.724 1.00 . A A . 9 CYS CB 1 1
1 115 1 1 9 CYS H H -1.543 3.131 -5.089 1.00 . A A . 9 CYS H 1 1
1 116 1 1 9 CYS HA H -4.026 3.001 -3.629 1.00 . A A . 9 CYS HA 1 1
1 117 1 1 9 CYS HB2 H -2.418 4.952 -5.065 1.00 . A A . 9 CYS HB2 1 1
1 118 1 1 9 CYS HB3 H -4.134 5.121 -5.471 1.00 . A A . 9 CYS HB3 1 1
1 119 1 1 9 CYS N N -2.320 2.588 -4.740 1.00 . A A . 9 CYS N 1 1
1 120 1 1 9 CYS O O -4.813 1.520 -5.763 1.00 . A A . 9 CYS O 1 1
1 121 1 1 9 CYS SG S -3.711 5.640 -3.175 1.00 . A A . 9 CYS SG 1 1
2 122 1 1 1 PRO C C 0.991 2.426 -0.033 1.00 . A A . 1 PRO C 1 1
2 123 1 1 1 PRO CA C 1.496 1.182 0.682 1.00 . A A . 1 PRO CA 1 1
2 124 1 1 1 PRO CB C 3.018 1.085 0.603 1.00 . A A . 1 PRO CB 1 1
2 125 1 1 1 PRO CD C 2.080 -0.664 -0.719 1.00 . A A . 1 PRO CD 1 1
2 126 1 1 1 PRO CG C 3.242 0.326 -0.704 1.00 . A A . 1 PRO CG 1 1
2 127 1 1 1 PRO H2 H 0.000 0.000 0.000 1.00 . A A . 1 PRO H2 1 1
2 128 1 1 1 PRO H3 H 1.352 0.000 -0.956 1.00 . A A . 1 PRO H3 1 1
2 129 1 1 1 PRO HA H 1.170 1.194 1.722 1.00 . A A . 1 PRO HA 1 1
2 130 1 1 1 PRO HB2 H 3.496 2.065 0.602 1.00 . A A . 1 PRO HB2 1 1
2 131 1 1 1 PRO HB3 H 3.383 0.480 1.434 1.00 . A A . 1 PRO HB3 1 1
2 132 1 1 1 PRO HD2 H 1.786 -0.902 -1.741 1.00 . A A . 1 PRO HD2 1 1
2 133 1 1 1 PRO HD3 H 2.360 -1.571 -0.184 1.00 . A A . 1 PRO HD3 1 1
2 134 1 1 1 PRO HG2 H 3.136 1.017 -1.540 1.00 . A A . 1 PRO HG2 1 1
2 135 1 1 1 PRO HG3 H 4.211 -0.173 -0.734 1.00 . A A . 1 PRO HG3 1 1
2 136 1 1 1 PRO N N 1.014 0.000 0.000 1.00 . A A . 1 PRO N 1 1
2 137 1 1 1 PRO O O -0.041 2.386 -0.700 1.00 . A A . 1 PRO O 1 1
2 138 1 1 2 PHE C C 0.869 4.520 -1.946 1.00 . A A . 2 PHE C 1 1
2 139 1 1 2 PHE CA C 1.340 4.783 -0.523 1.00 . A A . 2 PHE CA 1 1
2 140 1 1 2 PHE CB C 2.531 5.739 -0.515 1.00 . A A . 2 PHE CB 1 1
2 141 1 1 2 PHE CD1 C 4.664 4.424 -0.236 1.00 . A A . 2 PHE CD1 1 1
2 142 1 1 2 PHE CD2 C 3.783 5.636 1.671 1.00 . A A . 2 PHE CD2 1 1
2 143 1 1 2 PHE CE1 C 5.737 3.977 0.544 1.00 . A A . 2 PHE CE1 1 1
2 144 1 1 2 PHE CE2 C 4.856 5.189 2.451 1.00 . A A . 2 PHE CE2 1 1
2 145 1 1 2 PHE CG C 3.687 5.254 0.327 1.00 . A A . 2 PHE CG 1 1
2 146 1 1 2 PHE CZ C 5.833 4.359 1.888 1.00 . A A . 2 PHE CZ 1 1
2 147 1 1 2 PHE H H 2.561 3.516 0.668 1.00 . A A . 2 PHE H 1 1
2 148 1 1 2 PHE HA H 0.524 5.232 0.043 1.00 . A A . 2 PHE HA 1 1
2 149 1 1 2 PHE HB2 H 2.878 5.870 -1.539 1.00 . A A . 2 PHE HB2 1 1
2 150 1 1 2 PHE HB3 H 2.201 6.704 -0.130 1.00 . A A . 2 PHE HB3 1 1
2 151 1 1 2 PHE HD1 H 4.590 4.130 -1.272 1.00 . A A . 2 PHE HD1 1 1
2 152 1 1 2 PHE HD2 H 3.030 6.277 2.105 1.00 . A A . 2 PHE HD2 1 1
2 153 1 1 2 PHE HE1 H 6.490 3.337 0.110 1.00 . A A . 2 PHE HE1 1 1
2 154 1 1 2 PHE HE2 H 4.930 5.484 3.487 1.00 . A A . 2 PHE HE2 1 1
2 155 1 1 2 PHE HZ H 6.660 4.014 2.489 1.00 . A A . 2 PHE HZ 1 1
2 156 1 1 2 PHE N N 1.720 3.535 0.108 1.00 . A A . 2 PHE N 1 1
2 157 1 1 2 PHE O O 1.248 3.522 -2.554 1.00 . A A . 2 PHE O 1 1
2 158 1 1 3 CYS C C 0.636 4.857 -4.764 1.00 . A A . 3 CYS C 1 1
2 159 1 1 3 CYS CA C -0.481 5.284 -3.822 1.00 . A A . 3 CYS CA 1 1
2 160 1 1 3 CYS CB C -1.089 6.610 -4.270 1.00 . A A . 3 CYS CB 1 1
2 161 1 1 3 CYS H H -0.243 6.225 -1.933 1.00 . A A . 3 CYS H 1 1
2 162 1 1 3 CYS HA H -1.258 4.519 -3.826 1.00 . A A . 3 CYS HA 1 1
2 163 1 1 3 CYS HB2 H -0.291 7.349 -4.344 1.00 . A A . 3 CYS HB2 1 1
2 164 1 1 3 CYS HB3 H -1.530 6.473 -5.257 1.00 . A A . 3 CYS HB3 1 1
2 165 1 1 3 CYS N N 0.038 5.421 -2.476 1.00 . A A . 3 CYS N 1 1
2 166 1 1 3 CYS O O 1.812 5.067 -4.472 1.00 . A A . 3 CYS O 1 1
2 167 1 1 3 CYS SG S -2.363 7.249 -3.154 1.00 . A A . 3 CYS SG 1 1
2 168 1 1 4 ASN C C 0.788 4.195 -8.273 1.00 . A A . 4 ASN C 1 1
2 169 1 1 4 ASN CA C 1.239 3.804 -6.873 1.00 . A A . 4 ASN CA 1 1
2 170 1 1 4 ASN CB C 1.405 2.291 -6.761 1.00 . A A . 4 ASN CB 1 1
2 171 1 1 4 ASN CG C 2.877 1.906 -6.746 1.00 . A A . 4 ASN CG 1 1
2 172 1 1 4 ASN H H -0.713 4.106 -6.090 1.00 . A A . 4 ASN H 1 1
2 173 1 1 4 ASN HA H 2.197 4.281 -6.665 1.00 . A A . 4 ASN HA 1 1
2 174 1 1 4 ASN HB2 H 0.934 1.947 -5.840 1.00 . A A . 4 ASN HB2 1 1
2 175 1 1 4 ASN HB3 H 0.919 1.814 -7.612 1.00 . A A . 4 ASN HB3 1 1
2 176 1 1 4 ASN HD21 H 2.462 0.194 -5.724 1.00 . A A . 4 ASN HD21 1 1
2 177 1 1 4 ASN HD22 H 4.152 0.454 -6.102 1.00 . A A . 4 ASN HD22 1 1
2 178 1 1 4 ASN N N 0.267 4.255 -5.897 1.00 . A A . 4 ASN N 1 1
2 179 1 1 4 ASN ND2 N 3.189 0.757 -6.142 1.00 . A A . 4 ASN ND2 1 1
2 180 1 1 4 ASN O O -0.263 4.809 -8.442 1.00 . A A . 4 ASN O 1 1
2 181 1 1 4 ASN OD1 O 3.716 2.634 -7.270 1.00 . A A . 4 ASN OD1 1 1
2 182 1 1 5 ALA C C -0.134 3.665 -10.986 1.00 . A A . 5 ALA C 1 1
2 183 1 1 5 ALA CA C 1.271 4.149 -10.658 1.00 . A A . 5 ALA CA 1 1
2 184 1 1 5 ALA CB C 2.297 3.493 -11.577 1.00 . A A . 5 ALA CB 1 1
2 185 1 1 5 ALA H H 2.442 3.331 -9.086 1.00 . A A . 5 ALA H 1 1
2 186 1 1 5 ALA HA H 1.314 5.229 -10.794 1.00 . A A . 5 ALA HA 1 1
2 187 1 1 5 ALA HB1 H 1.883 2.570 -11.984 1.00 . A A . 5 ALA HB1 1 1
2 188 1 1 5 ALA HB2 H 2.541 4.173 -12.393 1.00 . A A . 5 ALA HB2 1 1
2 189 1 1 5 ALA HB3 H 3.201 3.267 -11.010 1.00 . A A . 5 ALA HB3 1 1
2 190 1 1 5 ALA N N 1.588 3.835 -9.279 1.00 . A A . 5 ALA N 1 1
2 191 1 1 5 ALA O O -0.742 4.123 -11.951 1.00 . A A . 5 ALA O 1 1
2 192 1 1 6 PHE C C -2.164 0.939 -9.550 1.00 . A A . 6 PHE C 1 1
2 193 1 1 6 PHE CA C -1.979 2.195 -10.389 1.00 . A A . 6 PHE CA 1 1
2 194 1 1 6 PHE CB C -2.175 1.891 -11.871 1.00 . A A . 6 PHE CB 1 1
2 195 1 1 6 PHE CD1 C -4.202 3.388 -11.943 1.00 . A A . 6 PHE CD1 1 1
2 196 1 1 6 PHE CD2 C -2.735 3.317 -13.873 1.00 . A A . 6 PHE CD2 1 1
2 197 1 1 6 PHE CE1 C -5.020 4.315 -12.600 1.00 . A A . 6 PHE CE1 1 1
2 198 1 1 6 PHE CE2 C -3.553 4.244 -14.529 1.00 . A A . 6 PHE CE2 1 1
2 199 1 1 6 PHE CG C -3.059 2.889 -12.580 1.00 . A A . 6 PHE CG 1 1
2 200 1 1 6 PHE CZ C -4.696 4.742 -13.893 1.00 . A A . 6 PHE CZ 1 1
2 201 1 1 6 PHE H H -0.110 2.391 -9.399 1.00 . A A . 6 PHE H 1 1
2 202 1 1 6 PHE HA H -2.715 2.938 -10.080 1.00 . A A . 6 PHE HA 1 1
2 203 1 1 6 PHE HB2 H -1.199 1.884 -12.357 1.00 . A A . 6 PHE HB2 1 1
2 204 1 1 6 PHE HB3 H -2.620 0.901 -11.968 1.00 . A A . 6 PHE HB3 1 1
2 205 1 1 6 PHE HD1 H -4.452 3.058 -10.946 1.00 . A A . 6 PHE HD1 1 1
2 206 1 1 6 PHE HD2 H -1.852 2.932 -14.363 1.00 . A A . 6 PHE HD2 1 1
2 207 1 1 6 PHE HE1 H -5.902 4.700 -12.109 1.00 . A A . 6 PHE HE1 1 1
2 208 1 1 6 PHE HE2 H -3.302 4.574 -15.526 1.00 . A A . 6 PHE HE2 1 1
2 209 1 1 6 PHE HZ H -5.327 5.458 -14.399 1.00 . A A . 6 PHE HZ 1 1
2 210 1 1 6 PHE N N -0.651 2.735 -10.179 1.00 . A A . 6 PHE N 1 1
2 211 1 1 6 PHE O O -3.262 0.391 -9.480 1.00 . A A . 6 PHE O 1 1
2 212 1 1 7 THR C C -1.471 -0.323 -6.648 1.00 . A A . 7 THR C 1 1
2 213 1 1 7 THR CA C -1.136 -0.706 -8.083 1.00 . A A . 7 THR CA 1 1
2 214 1 1 7 THR CB C 0.205 -1.431 -8.150 1.00 . A A . 7 THR CB 1 1
2 215 1 1 7 THR CG2 C 1.329 -0.409 -8.289 1.00 . A A . 7 THR CG2 1 1
2 216 1 1 7 THR H H -0.204 0.968 -9.001 1.00 . A A . 7 THR H 1 1
2 217 1 1 7 THR HA H -1.915 -1.368 -8.462 1.00 . A A . 7 THR HA 1 1
2 218 1 1 7 THR HB H 0.213 -2.100 -9.010 1.00 . A A . 7 THR HB 1 1
2 219 1 1 7 THR HG1 H -0.441 -2.217 -6.496 1.00 . A A . 7 THR HG1 1 1
2 220 1 1 7 THR HG21 H 1.027 0.372 -8.986 1.00 . A A . 7 THR HG21 1 1
2 221 1 1 7 THR HG22 H 1.540 0.034 -7.315 1.00 . A A . 7 THR HG22 1 1
2 222 1 1 7 THR HG23 H 2.225 -0.904 -8.664 1.00 . A A . 7 THR HG23 1 1
2 223 1 1 7 THR N N -1.085 0.481 -8.912 1.00 . A A . 7 THR N 1 1
2 224 1 1 7 THR O O -2.561 -0.613 -6.160 1.00 . A A . 7 THR O 1 1
2 225 1 1 7 THR OG1 O 0.393 -2.180 -6.970 1.00 . A A . 7 THR OG1 1 1
2 226 1 1 8 GLY C C -2.131 1.307 -4.415 1.00 . A A . 8 GLY C 1 1
2 227 1 1 8 GLY CA C -0.725 0.752 -4.598 1.00 . A A . 8 GLY CA 1 1
2 228 1 1 8 GLY H H 0.355 0.549 -6.417 1.00 . A A . 8 GLY H 1 1
2 229 1 1 8 GLY HA2 H -0.586 -0.103 -3.937 1.00 . A A . 8 GLY HA2 1 1
2 230 1 1 8 GLY HA3 H 0.003 1.524 -4.347 1.00 . A A . 8 GLY HA3 1 1
2 231 1 1 8 GLY N N -0.525 0.334 -5.971 1.00 . A A . 8 GLY N 1 1
2 232 1 1 8 GLY O O -3.034 0.593 -3.985 1.00 . A A . 8 GLY O 1 1
2 233 1 1 9 CYS C C -4.548 2.718 -5.689 1.00 . A A . 9 CYS C 1 1
2 234 1 1 9 CYS CA C -3.603 3.235 -4.614 1.00 . A A . 9 CYS CA 1 1
2 235 1 1 9 CYS CB C -3.428 4.747 -4.730 1.00 . A A . 9 CYS CB 1 1
2 236 1 1 9 CYS H H -1.537 3.132 -5.091 1.00 . A A . 9 CYS H 1 1
2 237 1 1 9 CYS HA H -4.020 3.002 -3.634 1.00 . A A . 9 CYS HA 1 1
2 238 1 1 9 CYS HB2 H -2.413 4.953 -5.069 1.00 . A A . 9 CYS HB2 1 1
2 239 1 1 9 CYS HB3 H -4.128 5.120 -5.477 1.00 . A A . 9 CYS HB3 1 1
2 240 1 1 9 CYS N N -2.313 2.589 -4.742 1.00 . A A . 9 CYS N 1 1
2 241 1 1 9 CYS O O -5.288 1.763 -5.460 1.00 . A A . 9 CYS O 1 1
2 242 1 1 9 CYS SG S -3.708 5.641 -3.181 1.00 . A A . 9 CYS SG 1 1
3 243 1 1 1 PRO C C 0.991 2.426 -0.033 1.00 . A A . 1 PRO C 1 1
3 244 1 1 1 PRO CA C 1.496 1.182 0.682 1.00 . A A . 1 PRO CA 1 1
3 245 1 1 1 PRO CB C 3.018 1.085 0.603 1.00 . A A . 1 PRO CB 1 1
3 246 1 1 1 PRO CD C 2.080 -0.664 -0.719 1.00 . A A . 1 PRO CD 1 1
3 247 1 1 1 PRO CG C 3.242 0.326 -0.704 1.00 . A A . 1 PRO CG 1 1
3 248 1 1 1 PRO H2 H 0.000 0.000 0.000 1.00 . A A . 1 PRO H2 1 1
3 249 1 1 1 PRO H3 H 1.352 0.000 -0.956 1.00 . A A . 1 PRO H3 1 1
3 250 1 1 1 PRO HA H 1.170 1.194 1.722 1.00 . A A . 1 PRO HA 1 1
3 251 1 1 1 PRO HB2 H 3.496 2.065 0.602 1.00 . A A . 1 PRO HB2 1 1
3 252 1 1 1 PRO HB3 H 3.383 0.480 1.434 1.00 . A A . 1 PRO HB3 1 1
3 253 1 1 1 PRO HD2 H 1.786 -0.902 -1.741 1.00 . A A . 1 PRO HD2 1 1
3 254 1 1 1 PRO HD3 H 2.360 -1.571 -0.184 1.00 . A A . 1 PRO HD3 1 1
3 255 1 1 1 PRO HG2 H 3.136 1.017 -1.540 1.00 . A A . 1 PRO HG2 1 1
3 256 1 1 1 PRO HG3 H 4.211 -0.173 -0.734 1.00 . A A . 1 PRO HG3 1 1
3 257 1 1 1 PRO N N 1.014 0.000 0.000 1.00 . A A . 1 PRO N 1 1
3 258 1 1 1 PRO O O -0.042 2.387 -0.699 1.00 . A A . 1 PRO O 1 1
3 259 1 1 2 PHE C C 0.863 4.519 -1.945 1.00 . A A . 2 PHE C 1 1
3 260 1 1 2 PHE CA C 1.341 4.783 -0.524 1.00 . A A . 2 PHE CA 1 1
3 261 1 1 2 PHE CB C 2.534 5.735 -0.523 1.00 . A A . 2 PHE CB 1 1
3 262 1 1 2 PHE CD1 C 3.681 5.436 1.702 1.00 . A A . 2 PHE CD1 1 1
3 263 1 1 2 PHE CD2 C 4.778 4.609 -0.296 1.00 . A A . 2 PHE CD2 1 1
3 264 1 1 2 PHE CE1 C 4.754 4.983 2.479 1.00 . A A . 2 PHE CE1 1 1
3 265 1 1 2 PHE CE2 C 5.851 4.156 0.480 1.00 . A A . 2 PHE CE2 1 1
3 266 1 1 2 PHE CG C 3.692 5.249 0.315 1.00 . A A . 2 PHE CG 1 1
3 267 1 1 2 PHE CZ C 5.839 4.344 1.868 1.00 . A A . 2 PHE CZ 1 1
3 268 1 1 2 PHE H H 2.562 3.515 0.665 1.00 . A A . 2 PHE H 1 1
3 269 1 1 2 PHE HA H 0.528 5.234 0.044 1.00 . A A . 2 PHE HA 1 1
3 270 1 1 2 PHE HB2 H 2.877 5.865 -1.549 1.00 . A A . 2 PHE HB2 1 1
3 271 1 1 2 PHE HB3 H 2.208 6.702 -0.138 1.00 . A A . 2 PHE HB3 1 1
3 272 1 1 2 PHE HD1 H 2.843 5.929 2.174 1.00 . A A . 2 PHE HD1 1 1
3 273 1 1 2 PHE HD2 H 4.786 4.464 -1.366 1.00 . A A . 2 PHE HD2 1 1
3 274 1 1 2 PHE HE1 H 4.745 5.127 3.549 1.00 . A A . 2 PHE HE1 1 1
3 275 1 1 2 PHE HE2 H 6.688 3.662 0.009 1.00 . A A . 2 PHE HE2 1 1
3 276 1 1 2 PHE HZ H 6.667 3.994 2.467 1.00 . A A . 2 PHE HZ 1 1
3 277 1 1 2 PHE N N 1.721 3.535 0.107 1.00 . A A . 2 PHE N 1 1
3 278 1 1 2 PHE O O 1.244 3.522 -2.556 1.00 . A A . 2 PHE O 1 1
3 279 1 1 3 CYS C C 0.614 4.856 -4.761 1.00 . A A . 3 CYS C 1 1
3 280 1 1 3 CYS CA C -0.500 5.278 -3.814 1.00 . A A . 3 CYS CA 1 1
3 281 1 1 3 CYS CB C -1.115 6.602 -4.257 1.00 . A A . 3 CYS CB 1 1
3 282 1 1 3 CYS H H -0.256 6.219 -1.925 1.00 . A A . 3 CYS H 1 1
3 283 1 1 3 CYS HA H -1.274 4.510 -3.814 1.00 . A A . 3 CYS HA 1 1
3 284 1 1 3 CYS HB2 H -0.321 7.344 -4.336 1.00 . A A . 3 CYS HB2 1 1
3 285 1 1 3 CYS HB3 H -1.562 6.464 -5.242 1.00 . A A . 3 CYS HB3 1 1
3 286 1 1 3 CYS N N 0.026 5.416 -2.471 1.00 . A A . 3 CYS N 1 1
3 287 1 1 3 CYS O O 1.790 5.070 -4.475 1.00 . A A . 3 CYS O 1 1
3 288 1 1 3 CYS SG S -2.385 7.236 -3.134 1.00 . A A . 3 CYS SG 1 1
3 289 1 1 4 ASN C C 0.750 4.198 -8.272 1.00 . A A . 4 ASN C 1 1
3 290 1 1 4 ASN CA C 1.209 3.807 -6.874 1.00 . A A . 4 ASN CA 1 1
3 291 1 1 4 ASN CB C 1.380 2.295 -6.766 1.00 . A A . 4 ASN CB 1 1
3 292 1 1 4 ASN CG C 2.854 1.914 -6.756 1.00 . A A . 4 ASN CG 1 1
3 293 1 1 4 ASN H H -0.739 4.101 -6.081 1.00 . A A . 4 ASN H 1 1
3 294 1 1 4 ASN HA H 2.167 4.287 -6.671 1.00 . A A . 4 ASN HA 1 1
3 295 1 1 4 ASN HB2 H 0.914 1.947 -5.844 1.00 . A A . 4 ASN HB2 1 1
3 296 1 1 4 ASN HB3 H 0.893 1.817 -7.616 1.00 . A A . 4 ASN HB3 1 1
3 297 1 1 4 ASN HD21 H 2.448 0.200 -5.734 1.00 . A A . 4 ASN HD21 1 1
3 298 1 1 4 ASN HD22 H 4.136 0.466 -6.118 1.00 . A A . 4 ASN HD22 1 1
3 299 1 1 4 ASN N N 0.241 4.254 -5.893 1.00 . A A . 4 ASN N 1 1
3 300 1 1 4 ASN ND2 N 3.172 0.766 -6.154 1.00 . A A . 4 ASN ND2 1 1
3 301 1 1 4 ASN O O -0.306 4.807 -8.435 1.00 . A A . 4 ASN O 1 1
3 302 1 1 4 ASN OD1 O 3.689 2.646 -7.283 1.00 . A A . 4 ASN OD1 1 1
3 303 1 1 5 ALA C C -0.184 3.676 -10.980 1.00 . A A . 5 ALA C 1 1
3 304 1 1 5 ALA CA C 1.223 4.161 -10.659 1.00 . A A . 5 ALA CA 1 1
3 305 1 1 5 ALA CB C 2.245 3.507 -11.584 1.00 . A A . 5 ALA CB 1 1
3 306 1 1 5 ALA H H 2.405 3.347 -9.094 1.00 . A A . 5 ALA H 1 1
3 307 1 1 5 ALA HA H 1.264 5.241 -10.794 1.00 . A A . 5 ALA HA 1 1
3 308 1 1 5 ALA HB1 H 2.324 2.446 -11.346 1.00 . A A . 5 ALA HB1 1 1
3 309 1 1 5 ALA HB2 H 1.925 3.624 -12.620 1.00 . A A . 5 ALA HB2 1 1
3 310 1 1 5 ALA HB3 H 3.216 3.983 -11.448 1.00 . A A . 5 ALA HB3 1 1
3 311 1 1 5 ALA N N 1.548 3.846 -9.282 1.00 . A A . 5 ALA N 1 1
3 312 1 1 5 ALA O O -0.798 4.137 -11.939 1.00 . A A . 5 ALA O 1 1
3 313 1 1 6 PHE C C -2.200 0.941 -9.541 1.00 . A A . 6 PHE C 1 1
3 314 1 1 6 PHE CA C -2.022 2.201 -10.377 1.00 . A A . 6 PHE CA 1 1
3 315 1 1 6 PHE CB C -2.227 1.901 -11.859 1.00 . A A . 6 PHE CB 1 1
3 316 1 1 6 PHE CD1 C -4.482 3.008 -12.061 1.00 . A A . 6 PHE CD1 1 1
3 317 1 1 6 PHE CD2 C -2.752 3.588 -13.658 1.00 . A A . 6 PHE CD2 1 1
3 318 1 1 6 PHE CE1 C -5.364 3.892 -12.695 1.00 . A A . 6 PHE CE1 1 1
3 319 1 1 6 PHE CE2 C -3.634 4.471 -14.292 1.00 . A A . 6 PHE CE2 1 1
3 320 1 1 6 PHE CG C -3.176 2.856 -12.542 1.00 . A A . 6 PHE CG 1 1
3 321 1 1 6 PHE CZ C -4.939 4.623 -13.810 1.00 . A A . 6 PHE CZ 1 1
3 322 1 1 6 PHE H H -0.147 2.395 -9.398 1.00 . A A . 6 PHE H 1 1
3 323 1 1 6 PHE HA H -2.757 2.941 -10.061 1.00 . A A . 6 PHE HA 1 1
3 324 1 1 6 PHE HB2 H -1.261 1.953 -12.361 1.00 . A A . 6 PHE HB2 1 1
3 325 1 1 6 PHE HB3 H -2.619 0.889 -11.959 1.00 . A A . 6 PHE HB3 1 1
3 326 1 1 6 PHE HD1 H -4.810 2.443 -11.200 1.00 . A A . 6 PHE HD1 1 1
3 327 1 1 6 PHE HD2 H -1.745 3.470 -14.029 1.00 . A A . 6 PHE HD2 1 1
3 328 1 1 6 PHE HE1 H -6.371 4.008 -12.324 1.00 . A A . 6 PHE HE1 1 1
3 329 1 1 6 PHE HE2 H -3.306 5.036 -15.152 1.00 . A A . 6 PHE HE2 1 1
3 330 1 1 6 PHE HZ H -5.619 5.305 -14.299 1.00 . A A . 6 PHE HZ 1 1
3 331 1 1 6 PHE N N -0.693 2.742 -10.174 1.00 . A A . 6 PHE N 1 1
3 332 1 1 6 PHE O O -3.297 0.391 -9.468 1.00 . A A . 6 PHE O 1 1
3 333 1 1 7 THR C C -1.490 -0.327 -6.647 1.00 . A A . 7 THR C 1 1
3 334 1 1 7 THR CA C -1.162 -0.705 -8.084 1.00 . A A . 7 THR CA 1 1
3 335 1 1 7 THR CB C 0.180 -1.427 -8.160 1.00 . A A . 7 THR CB 1 1
3 336 1 1 7 THR CG2 C 1.302 -0.402 -8.302 1.00 . A A . 7 THR CG2 1 1
3 337 1 1 7 THR H H -0.238 0.973 -9.001 1.00 . A A . 7 THR H 1 1
3 338 1 1 7 THR HA H -1.941 -1.368 -8.461 1.00 . A A . 7 THR HA 1 1
3 339 1 1 7 THR HB H 0.186 -2.094 -9.022 1.00 . A A . 7 THR HB 1 1
3 340 1 1 7 THR HG1 H 0.467 -1.572 -6.245 1.00 . A A . 7 THR HG1 1 1
3 341 1 1 7 THR HG21 H 0.995 0.379 -8.997 1.00 . A A . 7 THR HG21 1 1
3 342 1 1 7 THR HG22 H 1.515 0.041 -7.329 1.00 . A A . 7 THR HG22 1 1
3 343 1 1 7 THR HG23 H 2.198 -0.894 -8.680 1.00 . A A . 7 THR HG23 1 1
3 344 1 1 7 THR N N -1.117 0.485 -8.909 1.00 . A A . 7 THR N 1 1
3 345 1 1 7 THR O O -2.577 -0.622 -6.154 1.00 . A A . 7 THR O 1 1
3 346 1 1 7 THR OG1 O 0.377 -2.179 -6.983 1.00 . A A . 7 THR OG1 1 1
3 347 1 1 8 GLY C C -2.143 1.294 -4.405 1.00 . A A . 8 GLY C 1 1
3 348 1 1 8 GLY CA C -0.737 0.743 -4.597 1.00 . A A . 8 GLY CA 1 1
3 349 1 1 8 GLY H H 0.334 0.548 -6.422 1.00 . A A . 8 GLY H 1 1
3 350 1 1 8 GLY HA2 H -0.593 -0.114 -3.939 1.00 . A A . 8 GLY HA2 1 1
3 351 1 1 8 GLY HA3 H -0.010 1.516 -4.347 1.00 . A A . 8 GLY HA3 1 1
3 352 1 1 8 GLY N N -0.543 0.329 -5.972 1.00 . A A . 8 GLY N 1 1
3 353 1 1 8 GLY O O -3.042 0.576 -3.973 1.00 . A A . 8 GLY O 1 1
3 354 1 1 9 CYS C C -4.571 2.701 -5.662 1.00 . A A . 9 CYS C 1 1
3 355 1 1 9 CYS CA C -3.621 3.219 -4.591 1.00 . A A . 9 CYS CA 1 1
3 356 1 1 9 CYS CB C -3.450 4.731 -4.706 1.00 . A A . 9 CYS CB 1 1
3 357 1 1 9 CYS H H -1.557 3.123 -5.080 1.00 . A A . 9 CYS H 1 1
3 358 1 1 9 CYS HA H -4.032 2.983 -3.610 1.00 . A A . 9 CYS HA 1 1
3 359 1 1 9 CYS HB2 H -2.437 4.940 -5.050 1.00 . A A . 9 CYS HB2 1 1
3 360 1 1 9 CYS HB3 H -4.156 5.104 -5.448 1.00 . A A . 9 CYS HB3 1 1
3 361 1 1 9 CYS N N -2.330 2.576 -4.728 1.00 . A A . 9 CYS N 1 1
3 362 1 1 9 CYS O O -4.537 3.164 -6.800 1.00 . A A . 9 CYS O 1 1
3 363 1 1 9 CYS SG S -3.724 5.622 -3.154 1.00 . A A . 9 CYS SG 1 1
4 364 1 1 1 PRO C C 0.991 2.426 -0.033 1.00 . A A . 1 PRO C 1 1
4 365 1 1 1 PRO CA C 1.496 1.182 0.682 1.00 . A A . 1 PRO CA 1 1
4 366 1 1 1 PRO CB C 3.018 1.085 0.603 1.00 . A A . 1 PRO CB 1 1
4 367 1 1 1 PRO CD C 2.080 -0.664 -0.719 1.00 . A A . 1 PRO CD 1 1
4 368 1 1 1 PRO CG C 3.242 0.326 -0.704 1.00 . A A . 1 PRO CG 1 1
4 369 1 1 1 PRO H2 H 0.000 0.000 0.000 1.00 . A A . 1 PRO H2 1 1
4 370 1 1 1 PRO H3 H 1.352 0.000 -0.956 1.00 . A A . 1 PRO H3 1 1
4 371 1 1 1 PRO HA H 1.170 1.194 1.722 1.00 . A A . 1 PRO HA 1 1
4 372 1 1 1 PRO HB2 H 3.496 2.065 0.602 1.00 . A A . 1 PRO HB2 1 1
4 373 1 1 1 PRO HB3 H 3.383 0.480 1.434 1.00 . A A . 1 PRO HB3 1 1
4 374 1 1 1 PRO HD2 H 1.786 -0.902 -1.741 1.00 . A A . 1 PRO HD2 1 1
4 375 1 1 1 PRO HD3 H 2.360 -1.571 -0.184 1.00 . A A . 1 PRO HD3 1 1
4 376 1 1 1 PRO HG2 H 3.136 1.017 -1.540 1.00 . A A . 1 PRO HG2 1 1
4 377 1 1 1 PRO HG3 H 4.211 -0.173 -0.734 1.00 . A A . 1 PRO HG3 1 1
4 378 1 1 1 PRO N N 1.014 0.000 0.000 1.00 . A A . 1 PRO N 1 1
4 379 1 1 1 PRO O O -0.039 2.385 -0.703 1.00 . A A . 1 PRO O 1 1
4 380 1 1 2 PHE C C 0.865 4.522 -1.942 1.00 . A A . 2 PHE C 1 1
4 381 1 1 2 PHE CA C 1.338 4.785 -0.519 1.00 . A A . 2 PHE CA 1 1
4 382 1 1 2 PHE CB C 2.528 5.739 -0.512 1.00 . A A . 2 PHE CB 1 1
4 383 1 1 2 PHE CD1 C 3.635 5.373 1.723 1.00 . A A . 2 PHE CD1 1 1
4 384 1 1 2 PHE CD2 C 4.806 4.684 -0.285 1.00 . A A . 2 PHE CD2 1 1
4 385 1 1 2 PHE CE1 C 4.707 4.922 2.503 1.00 . A A . 2 PHE CE1 1 1
4 386 1 1 2 PHE CE2 C 5.878 4.232 0.494 1.00 . A A . 2 PHE CE2 1 1
4 387 1 1 2 PHE CG C 3.685 5.255 0.329 1.00 . A A . 2 PHE CG 1 1
4 388 1 1 2 PHE CZ C 5.828 4.351 1.888 1.00 . A A . 2 PHE CZ 1 1
4 389 1 1 2 PHE H H 2.557 3.517 0.673 1.00 . A A . 2 PHE H 1 1
4 390 1 1 2 PHE HA H 0.522 5.233 0.047 1.00 . A A . 2 PHE HA 1 1
4 391 1 1 2 PHE HB2 H 2.875 5.871 -1.537 1.00 . A A . 2 PHE HB2 1 1
4 392 1 1 2 PHE HB3 H 2.199 6.705 -0.127 1.00 . A A . 2 PHE HB3 1 1
4 393 1 1 2 PHE HD1 H 2.770 5.813 2.197 1.00 . A A . 2 PHE HD1 1 1
4 394 1 1 2 PHE HD2 H 4.844 4.591 -1.361 1.00 . A A . 2 PHE HD2 1 1
4 395 1 1 2 PHE HE1 H 4.668 5.013 3.578 1.00 . A A . 2 PHE HE1 1 1
4 396 1 1 2 PHE HE2 H 6.742 3.791 0.020 1.00 . A A . 2 PHE HE2 1 1
4 397 1 1 2 PHE HZ H 6.655 4.002 2.490 1.00 . A A . 2 PHE HZ 1 1
4 398 1 1 2 PHE N N 1.718 3.536 0.111 1.00 . A A . 2 PHE N 1 1
4 399 1 1 2 PHE O O 1.251 3.528 -2.553 1.00 . A A . 2 PHE O 1 1
4 400 1 1 3 CYS C C 0.623 4.860 -4.758 1.00 . A A . 3 CYS C 1 1
4 401 1 1 3 CYS CA C -0.494 5.279 -3.813 1.00 . A A . 3 CYS CA 1 1
4 402 1 1 3 CYS CB C -1.109 6.603 -4.258 1.00 . A A . 3 CYS CB 1 1
4 403 1 1 3 CYS H H -0.260 6.217 -1.923 1.00 . A A . 3 CYS H 1 1
4 404 1 1 3 CYS HA H -1.267 4.511 -3.817 1.00 . A A . 3 CYS HA 1 1
4 405 1 1 3 CYS HB2 H -0.315 7.345 -4.337 1.00 . A A . 3 CYS HB2 1 1
4 406 1 1 3 CYS HB3 H -1.556 6.464 -5.242 1.00 . A A . 3 CYS HB3 1 1
4 407 1 1 3 CYS N N 0.027 5.417 -2.468 1.00 . A A . 3 CYS N 1 1
4 408 1 1 3 CYS O O 1.798 5.080 -4.470 1.00 . A A . 3 CYS O 1 1
4 409 1 1 3 CYS SG S -2.379 7.238 -3.135 1.00 . A A . 3 CYS SG 1 1
4 410 1 1 4 ASN C C 0.773 4.199 -8.265 1.00 . A A . 4 ASN C 1 1
4 411 1 1 4 ASN CA C 1.227 3.807 -6.866 1.00 . A A . 4 ASN CA 1 1
4 412 1 1 4 ASN CB C 1.399 2.295 -6.758 1.00 . A A . 4 ASN CB 1 1
4 413 1 1 4 ASN CG C 2.872 1.915 -6.740 1.00 . A A . 4 ASN CG 1 1
4 414 1 1 4 ASN H H -0.724 4.095 -6.078 1.00 . A A . 4 ASN H 1 1
4 415 1 1 4 ASN HA H 2.184 4.287 -6.659 1.00 . A A . 4 ASN HA 1 1
4 416 1 1 4 ASN HB2 H 0.927 1.946 -5.839 1.00 . A A . 4 ASN HB2 1 1
4 417 1 1 4 ASN HB3 H 0.917 1.818 -7.612 1.00 . A A . 4 ASN HB3 1 1
4 418 1 1 4 ASN HD21 H 2.461 0.193 -5.734 1.00 . A A . 4 ASN HD21 1 1
4 419 1 1 4 ASN HD22 H 4.150 0.463 -6.103 1.00 . A A . 4 ASN HD22 1 1
4 420 1 1 4 ASN N N 0.255 4.253 -5.888 1.00 . A A . 4 ASN N 1 1
4 421 1 1 4 ASN ND2 N 3.187 0.763 -6.144 1.00 . A A . 4 ASN ND2 1 1
4 422 1 1 4 ASN O O -0.283 4.805 -8.432 1.00 . A A . 4 ASN O 1 1
4 423 1 1 4 ASN OD1 O 3.711 2.652 -7.255 1.00 . A A . 4 ASN OD1 1 1
4 424 1 1 5 ALA C C -0.151 3.684 -10.976 1.00 . A A . 5 ALA C 1 1
4 425 1 1 5 ALA CA C 1.256 4.166 -10.650 1.00 . A A . 5 ALA CA 1 1
4 426 1 1 5 ALA CB C 2.279 3.510 -11.573 1.00 . A A . 5 ALA CB 1 1
4 427 1 1 5 ALA H H 2.434 3.352 -9.081 1.00 . A A . 5 ALA H 1 1
4 428 1 1 5 ALA HA H 1.299 5.246 -10.785 1.00 . A A . 5 ALA HA 1 1
4 429 1 1 5 ALA HB1 H 2.370 2.453 -11.322 1.00 . A A . 5 ALA HB1 1 1
4 430 1 1 5 ALA HB2 H 1.953 3.611 -12.608 1.00 . A A . 5 ALA HB2 1 1
4 431 1 1 5 ALA HB3 H 3.246 3.997 -11.448 1.00 . A A . 5 ALA HB3 1 1
4 432 1 1 5 ALA N N 1.576 3.850 -9.273 1.00 . A A . 5 ALA N 1 1
4 433 1 1 5 ALA O O -0.762 4.147 -11.937 1.00 . A A . 5 ALA O 1 1
4 434 1 1 6 PHE C C -2.177 0.952 -9.546 1.00 . A A . 6 PHE C 1 1
4 435 1 1 6 PHE CA C -1.994 2.212 -10.379 1.00 . A A . 6 PHE CA 1 1
4 436 1 1 6 PHE CB C -2.195 1.914 -11.863 1.00 . A A . 6 PHE CB 1 1
4 437 1 1 6 PHE CD1 C -3.423 4.111 -12.011 1.00 . A A . 6 PHE CD1 1 1
4 438 1 1 6 PHE CD2 C -3.879 2.405 -13.673 1.00 . A A . 6 PHE CD2 1 1
4 439 1 1 6 PHE CE1 C -4.346 4.962 -12.631 1.00 . A A . 6 PHE CE1 1 1
4 440 1 1 6 PHE CE2 C -4.802 3.256 -14.293 1.00 . A A . 6 PHE CE2 1 1
4 441 1 1 6 PHE CG C -3.189 2.833 -12.533 1.00 . A A . 6 PHE CG 1 1
4 442 1 1 6 PHE CZ C -5.035 4.534 -13.772 1.00 . A A . 6 PHE CZ 1 1
4 443 1 1 6 PHE H H -0.121 2.403 -9.395 1.00 . A A . 6 PHE H 1 1
4 444 1 1 6 PHE HA H -2.729 2.953 -10.065 1.00 . A A . 6 PHE HA 1 1
4 445 1 1 6 PHE HB2 H -1.235 2.011 -12.370 1.00 . A A . 6 PHE HB2 1 1
4 446 1 1 6 PHE HB3 H -2.544 0.887 -11.968 1.00 . A A . 6 PHE HB3 1 1
4 447 1 1 6 PHE HD1 H -2.891 4.440 -11.131 1.00 . A A . 6 PHE HD1 1 1
4 448 1 1 6 PHE HD2 H -3.699 1.419 -14.075 1.00 . A A . 6 PHE HD2 1 1
4 449 1 1 6 PHE HE1 H -4.526 5.947 -12.228 1.00 . A A . 6 PHE HE1 1 1
4 450 1 1 6 PHE HE2 H -5.334 2.926 -15.173 1.00 . A A . 6 PHE HE2 1 1
4 451 1 1 6 PHE HZ H -5.748 5.191 -14.249 1.00 . A A . 6 PHE HZ 1 1
4 452 1 1 6 PHE N N -0.665 2.750 -10.172 1.00 . A A . 6 PHE N 1 1
4 453 1 1 6 PHE O O -3.274 0.403 -9.477 1.00 . A A . 6 PHE O 1 1
4 454 1 1 7 THR C C -1.477 -0.321 -6.650 1.00 . A A . 7 THR C 1 1
4 455 1 1 7 THR CA C -1.146 -0.698 -8.087 1.00 . A A . 7 THR CA 1 1
4 456 1 1 7 THR CB C 0.196 -1.422 -8.160 1.00 . A A . 7 THR CB 1 1
4 457 1 1 7 THR CG2 C 1.320 -0.399 -8.294 1.00 . A A . 7 THR CG2 1 1
4 458 1 1 7 THR H H -0.216 0.980 -9.000 1.00 . A A . 7 THR H 1 1
4 459 1 1 7 THR HA H -1.925 -1.359 -8.468 1.00 . A A . 7 THR HA 1 1
4 460 1 1 7 THR HB H 0.203 -2.086 -9.024 1.00 . A A . 7 THR HB 1 1
4 461 1 1 7 THR HG1 H -0.069 -3.017 -7.085 1.00 . A A . 7 THR HG1 1 1
4 462 1 1 7 THR HG21 H 2.215 -0.891 -8.674 1.00 . A A . 7 THR HG21 1 1
4 463 1 1 7 THR HG22 H 1.016 0.386 -8.986 1.00 . A A . 7 THR HG22 1 1
4 464 1 1 7 THR HG23 H 1.531 0.038 -7.319 1.00 . A A . 7 THR HG23 1 1
4 465 1 1 7 THR N N -1.096 0.493 -8.911 1.00 . A A . 7 THR N 1 1
4 466 1 1 7 THR O O -2.565 -0.616 -6.161 1.00 . A A . 7 THR O 1 1
4 467 1 1 7 THR OG1 O 0.386 -2.178 -6.985 1.00 . A A . 7 THR OG1 1 1
4 468 1 1 8 GLY C C -2.136 1.298 -4.409 1.00 . A A . 8 GLY C 1 1
4 469 1 1 8 GLY CA C -0.730 0.747 -4.598 1.00 . A A . 8 GLY CA 1 1
4 470 1 1 8 GLY H H 0.347 0.554 -6.420 1.00 . A A . 8 GLY H 1 1
4 471 1 1 8 GLY HA2 H -0.587 -0.110 -3.940 1.00 . A A . 8 GLY HA2 1 1
4 472 1 1 8 GLY HA3 H -0.003 1.520 -4.346 1.00 . A A . 8 GLY HA3 1 1
4 473 1 1 8 GLY N N -0.532 0.335 -5.973 1.00 . A A . 8 GLY N 1 1
4 474 1 1 8 GLY O O -3.036 0.579 -3.980 1.00 . A A . 8 GLY O 1 1
4 475 1 1 9 CYS C C -4.562 2.704 -5.670 1.00 . A A . 9 CYS C 1 1
4 476 1 1 9 CYS CA C -3.615 3.222 -4.597 1.00 . A A . 9 CYS CA 1 1
4 477 1 1 9 CYS CB C -3.444 4.735 -4.711 1.00 . A A . 9 CYS CB 1 1
4 478 1 1 9 CYS H H -1.549 3.127 -5.080 1.00 . A A . 9 CYS H 1 1
4 479 1 1 9 CYS HA H -4.028 2.986 -3.617 1.00 . A A . 9 CYS HA 1 1
4 480 1 1 9 CYS HB2 H -2.431 4.944 -5.053 1.00 . A A . 9 CYS HB2 1 1
4 481 1 1 9 CYS HB3 H -4.148 5.108 -5.455 1.00 . A A . 9 CYS HB3 1 1
4 482 1 1 9 CYS N N -2.323 2.580 -4.732 1.00 . A A . 9 CYS N 1 1
4 483 1 1 9 CYS O O -5.547 3.360 -6.001 1.00 . A A . 9 CYS O 1 1
4 484 1 1 9 CYS SG S -3.722 5.625 -3.159 1.00 . A A . 9 CYS SG 1 1
5 485 1 1 1 PRO C C 0.991 2.426 -0.033 1.00 . A A . 1 PRO C 1 1
5 486 1 1 1 PRO CA C 1.496 1.182 0.682 1.00 . A A . 1 PRO CA 1 1
5 487 1 1 1 PRO CB C 3.018 1.085 0.603 1.00 . A A . 1 PRO CB 1 1
5 488 1 1 1 PRO CD C 2.080 -0.664 -0.719 1.00 . A A . 1 PRO CD 1 1
5 489 1 1 1 PRO CG C 3.242 0.326 -0.704 1.00 . A A . 1 PRO CG 1 1
5 490 1 1 1 PRO H2 H 0.000 0.000 0.000 1.00 . A A . 1 PRO H2 1 1
5 491 1 1 1 PRO H3 H 1.352 0.000 -0.956 1.00 . A A . 1 PRO H3 1 1
5 492 1 1 1 PRO HA H 1.170 1.194 1.722 1.00 . A A . 1 PRO HA 1 1
5 493 1 1 1 PRO HB2 H 3.496 2.065 0.602 1.00 . A A . 1 PRO HB2 1 1
5 494 1 1 1 PRO HB3 H 3.383 0.480 1.434 1.00 . A A . 1 PRO HB3 1 1
5 495 1 1 1 PRO HD2 H 1.786 -0.902 -1.741 1.00 . A A . 1 PRO HD2 1 1
5 496 1 1 1 PRO HD3 H 2.360 -1.571 -0.184 1.00 . A A . 1 PRO HD3 1 1
5 497 1 1 1 PRO HG2 H 3.136 1.017 -1.540 1.00 . A A . 1 PRO HG2 1 1
5 498 1 1 1 PRO HG3 H 4.211 -0.173 -0.734 1.00 . A A . 1 PRO HG3 1 1
5 499 1 1 1 PRO N N 1.014 0.000 0.000 1.00 . A A . 1 PRO N 1 1
5 500 1 1 1 PRO O O -0.041 2.386 -0.700 1.00 . A A . 1 PRO O 1 1
5 501 1 1 2 PHE C C 0.869 4.521 -1.945 1.00 . A A . 2 PHE C 1 1
5 502 1 1 2 PHE CA C 1.340 4.784 -0.522 1.00 . A A . 2 PHE CA 1 1
5 503 1 1 2 PHE CB C 2.530 5.739 -0.513 1.00 . A A . 2 PHE CB 1 1
5 504 1 1 2 PHE CD1 C 3.552 5.172 1.720 1.00 . A A . 2 PHE CD1 1 1
5 505 1 1 2 PHE CD2 C 4.890 4.885 -0.282 1.00 . A A . 2 PHE CD2 1 1
5 506 1 1 2 PHE CE1 C 4.624 4.721 2.501 1.00 . A A . 2 PHE CE1 1 1
5 507 1 1 2 PHE CE2 C 5.961 4.434 0.498 1.00 . A A . 2 PHE CE2 1 1
5 508 1 1 2 PHE CG C 3.686 5.255 0.329 1.00 . A A . 2 PHE CG 1 1
5 509 1 1 2 PHE CZ C 5.828 4.352 1.890 1.00 . A A . 2 PHE CZ 1 1
5 510 1 1 2 PHE H H 2.560 3.516 0.669 1.00 . A A . 2 PHE H 1 1
5 511 1 1 2 PHE HA H 0.523 5.232 0.044 1.00 . A A . 2 PHE HA 1 1
5 512 1 1 2 PHE HB2 H 2.878 5.871 -1.538 1.00 . A A . 2 PHE HB2 1 1
5 513 1 1 2 PHE HB3 H 2.199 6.704 -0.129 1.00 . A A . 2 PHE HB3 1 1
5 514 1 1 2 PHE HD1 H 2.623 5.456 2.191 1.00 . A A . 2 PHE HD1 1 1
5 515 1 1 2 PHE HD2 H 4.993 4.948 -1.355 1.00 . A A . 2 PHE HD2 1 1
5 516 1 1 2 PHE HE1 H 4.521 4.657 3.574 1.00 . A A . 2 PHE HE1 1 1
5 517 1 1 2 PHE HE2 H 6.890 4.148 0.027 1.00 . A A . 2 PHE HE2 1 1
5 518 1 1 2 PHE HZ H 6.654 4.003 2.492 1.00 . A A . 2 PHE HZ 1 1
5 519 1 1 2 PHE N N 1.719 3.536 0.109 1.00 . A A . 2 PHE N 1 1
5 520 1 1 2 PHE O O 1.249 3.523 -2.553 1.00 . A A . 2 PHE O 1 1
5 521 1 1 3 CYS C C 0.637 4.856 -4.763 1.00 . A A . 3 CYS C 1 1
5 522 1 1 3 CYS CA C -0.480 5.284 -3.822 1.00 . A A . 3 CYS CA 1 1
5 523 1 1 3 CYS CB C -1.087 6.610 -4.271 1.00 . A A . 3 CYS CB 1 1
5 524 1 1 3 CYS H H -0.244 6.225 -1.933 1.00 . A A . 3 CYS H 1 1
5 525 1 1 3 CYS HA H -1.258 4.520 -3.826 1.00 . A A . 3 CYS HA 1 1
5 526 1 1 3 CYS HB2 H -0.288 7.348 -4.348 1.00 . A A . 3 CYS HB2 1 1
5 527 1 1 3 CYS HB3 H -1.531 6.473 -5.256 1.00 . A A . 3 CYS HB3 1 1
5 528 1 1 3 CYS N N 0.038 5.421 -2.476 1.00 . A A . 3 CYS N 1 1
5 529 1 1 3 CYS O O 1.812 5.068 -4.472 1.00 . A A . 3 CYS O 1 1
5 530 1 1 3 CYS SG S -2.357 7.253 -3.153 1.00 . A A . 3 CYS SG 1 1
5 531 1 1 4 ASN C C 0.790 4.190 -8.271 1.00 . A A . 4 ASN C 1 1
5 532 1 1 4 ASN CA C 1.240 3.799 -6.870 1.00 . A A . 4 ASN CA 1 1
5 533 1 1 4 ASN CB C 1.404 2.286 -6.757 1.00 . A A . 4 ASN CB 1 1
5 534 1 1 4 ASN CG C 2.876 1.900 -6.736 1.00 . A A . 4 ASN CG 1 1
5 535 1 1 4 ASN H H -0.712 4.101 -6.087 1.00 . A A . 4 ASN H 1 1
5 536 1 1 4 ASN HA H 2.198 4.275 -6.662 1.00 . A A . 4 ASN HA 1 1
5 537 1 1 4 ASN HB2 H 0.930 1.942 -5.838 1.00 . A A . 4 ASN HB2 1 1
5 538 1 1 4 ASN HB3 H 0.922 1.809 -7.610 1.00 . A A . 4 ASN HB3 1 1
5 539 1 1 4 ASN HD21 H 2.456 0.188 -5.714 1.00 . A A . 4 ASN HD21 1 1
5 540 1 1 4 ASN HD22 H 4.147 0.448 -6.085 1.00 . A A . 4 ASN HD22 1 1
5 541 1 1 4 ASN N N 0.268 4.252 -5.895 1.00 . A A . 4 ASN N 1 1
5 542 1 1 4 ASN ND2 N 3.185 0.751 -6.129 1.00 . A A . 4 ASN ND2 1 1
5 543 1 1 4 ASN O O -0.263 4.799 -8.441 1.00 . A A . 4 ASN O 1 1
5 544 1 1 4 ASN OD1 O 3.718 2.628 -7.256 1.00 . A A . 4 ASN OD1 1 1
5 545 1 1 5 ALA C C -0.130 3.672 -10.982 1.00 . A A . 5 ALA C 1 1
5 546 1 1 5 ALA CA C 1.278 4.149 -10.655 1.00 . A A . 5 ALA CA 1 1
5 547 1 1 5 ALA CB C 2.301 3.486 -11.573 1.00 . A A . 5 ALA CB 1 1
5 548 1 1 5 ALA H H 2.450 3.335 -9.081 1.00 . A A . 5 ALA H 1 1
5 549 1 1 5 ALA HA H 1.327 5.229 -10.792 1.00 . A A . 5 ALA HA 1 1
5 550 1 1 5 ALA HB1 H 1.791 3.061 -12.438 1.00 . A A . 5 ALA HB1 1 1
5 551 1 1 5 ALA HB2 H 3.025 4.229 -11.907 1.00 . A A . 5 ALA HB2 1 1
5 552 1 1 5 ALA HB3 H 2.817 2.694 -11.030 1.00 . A A . 5 ALA HB3 1 1
5 553 1 1 5 ALA N N 1.594 3.835 -9.276 1.00 . A A . 5 ALA N 1 1
5 554 1 1 5 ALA O O -0.736 4.135 -11.945 1.00 . A A . 5 ALA O 1 1
5 555 1 1 6 PHE C C -2.171 0.953 -9.549 1.00 . A A . 6 PHE C 1 1
5 556 1 1 6 PHE CA C -1.981 2.211 -10.385 1.00 . A A . 6 PHE CA 1 1
5 557 1 1 6 PHE CB C -2.180 1.910 -11.868 1.00 . A A . 6 PHE CB 1 1
5 558 1 1 6 PHE CD1 C -4.390 3.109 -12.052 1.00 . A A . 6 PHE CD1 1 1
5 559 1 1 6 PHE CD2 C -2.680 3.554 -13.712 1.00 . A A . 6 PHE CD2 1 1
5 560 1 1 6 PHE CE1 C -5.249 4.008 -12.695 1.00 . A A . 6 PHE CE1 1 1
5 561 1 1 6 PHE CE2 C -3.539 4.454 -14.356 1.00 . A A . 6 PHE CE2 1 1
5 562 1 1 6 PHE CG C -3.105 2.882 -12.560 1.00 . A A . 6 PHE CG 1 1
5 563 1 1 6 PHE CZ C -4.823 4.680 -13.847 1.00 . A A . 6 PHE CZ 1 1
5 564 1 1 6 PHE H H -0.109 2.395 -9.397 1.00 . A A . 6 PHE H 1 1
5 565 1 1 6 PHE HA H -2.713 2.956 -10.074 1.00 . A A . 6 PHE HA 1 1
5 566 1 1 6 PHE HB2 H -1.209 1.942 -12.363 1.00 . A A . 6 PHE HB2 1 1
5 567 1 1 6 PHE HB3 H -2.592 0.906 -11.968 1.00 . A A . 6 PHE HB3 1 1
5 568 1 1 6 PHE HD1 H -4.718 2.589 -11.164 1.00 . A A . 6 PHE HD1 1 1
5 569 1 1 6 PHE HD2 H -1.689 3.379 -14.105 1.00 . A A . 6 PHE HD2 1 1
5 570 1 1 6 PHE HE1 H -6.240 4.182 -12.303 1.00 . A A . 6 PHE HE1 1 1
5 571 1 1 6 PHE HE2 H -3.211 4.972 -15.244 1.00 . A A . 6 PHE HE2 1 1
5 572 1 1 6 PHE HZ H -5.486 5.374 -14.343 1.00 . A A . 6 PHE HZ 1 1
5 573 1 1 6 PHE N N -0.649 2.743 -10.176 1.00 . A A . 6 PHE N 1 1
5 574 1 1 6 PHE O O -3.271 0.409 -9.481 1.00 . A A . 6 PHE O 1 1
5 575 1 1 7 THR C C -1.483 -0.317 -6.650 1.00 . A A . 7 THR C 1 1
5 576 1 1 7 THR CA C -1.149 -0.698 -8.085 1.00 . A A . 7 THR CA 1 1
5 577 1 1 7 THR CB C 0.189 -1.428 -8.153 1.00 . A A . 7 THR CB 1 1
5 578 1 1 7 THR CG2 C 1.318 -0.410 -8.286 1.00 . A A . 7 THR CG2 1 1
5 579 1 1 7 THR H H -0.210 0.974 -8.999 1.00 . A A . 7 THR H 1 1
5 580 1 1 7 THR HA H -1.930 -1.357 -8.465 1.00 . A A . 7 THR HA 1 1
5 581 1 1 7 THR HB H 0.196 -2.093 -9.016 1.00 . A A . 7 THR HB 1 1
5 582 1 1 7 THR HG1 H 1.258 -2.555 -6.988 1.00 . A A . 7 THR HG1 1 1
5 583 1 1 7 THR HG21 H 2.212 -0.906 -8.663 1.00 . A A . 7 THR HG21 1 1
5 584 1 1 7 THR HG22 H 1.018 0.377 -8.978 1.00 . A A . 7 THR HG22 1 1
5 585 1 1 7 THR HG23 H 1.529 0.027 -7.310 1.00 . A A . 7 THR HG23 1 1
5 586 1 1 7 THR N N -1.093 0.490 -8.911 1.00 . A A . 7 THR N 1 1
5 587 1 1 7 THR O O -2.573 -0.606 -6.162 1.00 . A A . 7 THR O 1 1
5 588 1 1 7 THR OG1 O 0.373 -2.183 -6.976 1.00 . A A . 7 THR OG1 1 1
5 589 1 1 8 GLY C C -2.139 1.311 -4.413 1.00 . A A . 8 GLY C 1 1
5 590 1 1 8 GLY CA C -0.735 0.753 -4.597 1.00 . A A . 8 GLY CA 1 1
5 591 1 1 8 GLY H H 0.344 0.551 -6.417 1.00 . A A . 8 GLY H 1 1
5 592 1 1 8 GLY HA2 H -0.598 -0.104 -3.938 1.00 . A A . 8 GLY HA2 1 1
5 593 1 1 8 GLY HA3 H -0.006 1.523 -4.345 1.00 . A A . 8 GLY HA3 1 1
5 594 1 1 8 GLY N N -0.536 0.336 -5.971 1.00 . A A . 8 GLY N 1 1
5 595 1 1 8 GLY O O -3.044 0.597 -3.985 1.00 . A A . 8 GLY O 1 1
5 596 1 1 9 CYS C C -4.555 2.725 -5.684 1.00 . A A . 9 CYS C 1 1
5 597 1 1 9 CYS CA C -3.608 3.242 -4.610 1.00 . A A . 9 CYS CA 1 1
5 598 1 1 9 CYS CB C -3.430 4.753 -4.727 1.00 . A A . 9 CYS CB 1 1
5 599 1 1 9 CYS H H -1.542 3.135 -5.087 1.00 . A A . 9 CYS H 1 1
5 600 1 1 9 CYS HA H -4.025 3.010 -3.629 1.00 . A A . 9 CYS HA 1 1
5 601 1 1 9 CYS HB2 H -2.415 4.957 -5.067 1.00 . A A . 9 CYS HB2 1 1
5 602 1 1 9 CYS HB3 H -4.130 5.127 -5.473 1.00 . A A . 9 CYS HB3 1 1
5 603 1 1 9 CYS N N -2.319 2.593 -4.739 1.00 . A A . 9 CYS N 1 1
5 604 1 1 9 CYS O O -5.000 1.582 -5.623 1.00 . A A . 9 CYS O 1 1
5 605 1 1 9 CYS SG S -3.708 5.648 -3.178 1.00 . A A . 9 CYS SG 1 1
6 606 1 1 1 PRO C C 0.991 2.426 -0.033 1.00 . A A . 1 PRO C 1 1
6 607 1 1 1 PRO CA C 1.496 1.182 0.682 1.00 . A A . 1 PRO CA 1 1
6 608 1 1 1 PRO CB C 3.018 1.085 0.603 1.00 . A A . 1 PRO CB 1 1
6 609 1 1 1 PRO CD C 2.080 -0.664 -0.719 1.00 . A A . 1 PRO CD 1 1
6 610 1 1 1 PRO CG C 3.242 0.326 -0.704 1.00 . A A . 1 PRO CG 1 1
6 611 1 1 1 PRO H2 H 0.000 0.000 0.000 1.00 . A A . 1 PRO H2 1 1
6 612 1 1 1 PRO H3 H 1.352 0.000 -0.956 1.00 . A A . 1 PRO H3 1 1
6 613 1 1 1 PRO HA H 1.170 1.194 1.722 1.00 . A A . 1 PRO HA 1 1
6 614 1 1 1 PRO HB2 H 3.496 2.065 0.602 1.00 . A A . 1 PRO HB2 1 1
6 615 1 1 1 PRO HB3 H 3.383 0.480 1.434 1.00 . A A . 1 PRO HB3 1 1
6 616 1 1 1 PRO HD2 H 1.786 -0.902 -1.741 1.00 . A A . 1 PRO HD2 1 1
6 617 1 1 1 PRO HD3 H 2.360 -1.571 -0.184 1.00 . A A . 1 PRO HD3 1 1
6 618 1 1 1 PRO HG2 H 3.136 1.017 -1.540 1.00 . A A . 1 PRO HG2 1 1
6 619 1 1 1 PRO HG3 H 4.211 -0.173 -0.734 1.00 . A A . 1 PRO HG3 1 1
6 620 1 1 1 PRO N N 1.014 0.000 0.000 1.00 . A A . 1 PRO N 1 1
6 621 1 1 1 PRO O O -0.042 2.386 -0.699 1.00 . A A . 1 PRO O 1 1
6 622 1 1 2 PHE C C 0.863 4.519 -1.944 1.00 . A A . 2 PHE C 1 1
6 623 1 1 2 PHE CA C 1.341 4.783 -0.524 1.00 . A A . 2 PHE CA 1 1
6 624 1 1 2 PHE CB C 2.533 5.736 -0.522 1.00 . A A . 2 PHE CB 1 1
6 625 1 1 2 PHE CD1 C 4.657 4.405 -0.246 1.00 . A A . 2 PHE CD1 1 1
6 626 1 1 2 PHE CD2 C 3.803 5.646 1.654 1.00 . A A . 2 PHE CD2 1 1
6 627 1 1 2 PHE CE1 C 5.732 3.956 0.530 1.00 . A A . 2 PHE CE1 1 1
6 628 1 1 2 PHE CE2 C 4.878 5.197 2.430 1.00 . A A . 2 PHE CE2 1 1
6 629 1 1 2 PHE CG C 3.692 5.250 0.316 1.00 . A A . 2 PHE CG 1 1
6 630 1 1 2 PHE CZ C 5.842 4.352 1.868 1.00 . A A . 2 PHE CZ 1 1
6 631 1 1 2 PHE H H 2.562 3.515 0.666 1.00 . A A . 2 PHE H 1 1
6 632 1 1 2 PHE HA H 0.528 5.234 0.045 1.00 . A A . 2 PHE HA 1 1
6 633 1 1 2 PHE HB2 H 2.877 5.865 -1.548 1.00 . A A . 2 PHE HB2 1 1
6 634 1 1 2 PHE HB3 H 2.207 6.702 -0.138 1.00 . A A . 2 PHE HB3 1 1
6 635 1 1 2 PHE HD1 H 4.572 4.100 -1.279 1.00 . A A . 2 PHE HD1 1 1
6 636 1 1 2 PHE HD2 H 3.059 6.298 2.087 1.00 . A A . 2 PHE HD2 1 1
6 637 1 1 2 PHE HE1 H 6.476 3.305 0.096 1.00 . A A . 2 PHE HE1 1 1
6 638 1 1 2 PHE HE2 H 4.964 5.504 3.462 1.00 . A A . 2 PHE HE2 1 1
6 639 1 1 2 PHE HZ H 6.672 4.007 2.467 1.00 . A A . 2 PHE HZ 1 1
6 640 1 1 2 PHE N N 1.721 3.535 0.107 1.00 . A A . 2 PHE N 1 1
6 641 1 1 2 PHE O O 1.245 3.524 -2.556 1.00 . A A . 2 PHE O 1 1
6 642 1 1 3 CYS C C 0.612 4.855 -4.760 1.00 . A A . 3 CYS C 1 1
6 643 1 1 3 CYS CA C -0.502 5.277 -3.812 1.00 . A A . 3 CYS CA 1 1
6 644 1 1 3 CYS CB C -1.117 6.601 -4.256 1.00 . A A . 3 CYS CB 1 1
6 645 1 1 3 CYS H H -0.259 6.217 -1.924 1.00 . A A . 3 CYS H 1 1
6 646 1 1 3 CYS HA H -1.276 4.510 -3.812 1.00 . A A . 3 CYS HA 1 1
6 647 1 1 3 CYS HB2 H -0.322 7.342 -4.338 1.00 . A A . 3 CYS HB2 1 1
6 648 1 1 3 CYS HB3 H -1.567 6.462 -5.239 1.00 . A A . 3 CYS HB3 1 1
6 649 1 1 3 CYS N N 0.024 5.416 -2.469 1.00 . A A . 3 CYS N 1 1
6 650 1 1 3 CYS O O 1.788 5.073 -4.476 1.00 . A A . 3 CYS O 1 1
6 651 1 1 3 CYS SG S -2.383 7.238 -3.130 1.00 . A A . 3 CYS SG 1 1
6 652 1 1 4 ASN C C 0.748 4.192 -8.268 1.00 . A A . 4 ASN C 1 1
6 653 1 1 4 ASN CA C 1.207 3.801 -6.871 1.00 . A A . 4 ASN CA 1 1
6 654 1 1 4 ASN CB C 1.377 2.288 -6.761 1.00 . A A . 4 ASN CB 1 1
6 655 1 1 4 ASN CG C 2.850 1.907 -6.748 1.00 . A A . 4 ASN CG 1 1
6 656 1 1 4 ASN H H -0.742 4.093 -6.076 1.00 . A A . 4 ASN H 1 1
6 657 1 1 4 ASN HA H 2.164 4.280 -6.667 1.00 . A A . 4 ASN HA 1 1
6 658 1 1 4 ASN HB2 H 0.908 1.941 -5.841 1.00 . A A . 4 ASN HB2 1 1
6 659 1 1 4 ASN HB3 H 0.892 1.811 -7.613 1.00 . A A . 4 ASN HB3 1 1
6 660 1 1 4 ASN HD21 H 2.440 0.187 -5.738 1.00 . A A . 4 ASN HD21 1 1
6 661 1 1 4 ASN HD22 H 4.129 0.455 -6.113 1.00 . A A . 4 ASN HD22 1 1
6 662 1 1 4 ASN N N 0.239 4.249 -5.890 1.00 . A A . 4 ASN N 1 1
6 663 1 1 4 ASN ND2 N 3.166 0.756 -6.151 1.00 . A A . 4 ASN ND2 1 1
6 664 1 1 4 ASN O O -0.311 4.795 -8.432 1.00 . A A . 4 ASN O 1 1
6 665 1 1 4 ASN OD1 O 3.688 2.642 -7.266 1.00 . A A . 4 ASN OD1 1 1
6 666 1 1 5 ALA C C -0.184 3.682 -10.974 1.00 . A A . 5 ALA C 1 1
6 667 1 1 5 ALA CA C 1.225 4.161 -10.655 1.00 . A A . 5 ALA CA 1 1
6 668 1 1 5 ALA CB C 2.243 3.501 -11.580 1.00 . A A . 5 ALA CB 1 1
6 669 1 1 5 ALA H H 2.409 3.350 -9.089 1.00 . A A . 5 ALA H 1 1
6 670 1 1 5 ALA HA H 1.271 5.241 -10.791 1.00 . A A . 5 ALA HA 1 1
6 671 1 1 5 ALA HB1 H 2.792 2.736 -11.030 1.00 . A A . 5 ALA HB1 1 1
6 672 1 1 5 ALA HB2 H 1.724 3.041 -12.422 1.00 . A A . 5 ALA HB2 1 1
6 673 1 1 5 ALA HB3 H 2.940 4.254 -11.950 1.00 . A A . 5 ALA HB3 1 1
6 674 1 1 5 ALA N N 1.549 3.846 -9.278 1.00 . A A . 5 ALA N 1 1
6 675 1 1 5 ALA O O -0.798 4.147 -11.932 1.00 . A A . 5 ALA O 1 1
6 676 1 1 6 PHE C C -2.210 0.953 -9.539 1.00 . A A . 6 PHE C 1 1
6 677 1 1 6 PHE CA C -2.028 2.215 -10.371 1.00 . A A . 6 PHE CA 1 1
6 678 1 1 6 PHE CB C -2.237 1.920 -11.853 1.00 . A A . 6 PHE CB 1 1
6 679 1 1 6 PHE CD1 C -4.357 3.275 -12.009 1.00 . A A . 6 PHE CD1 1 1
6 680 1 1 6 PHE CD2 C -2.681 3.528 -13.743 1.00 . A A . 6 PHE CD2 1 1
6 681 1 1 6 PHE CE1 C -5.170 4.213 -12.657 1.00 . A A . 6 PHE CE1 1 1
6 682 1 1 6 PHE CE2 C -3.494 4.466 -14.392 1.00 . A A . 6 PHE CE2 1 1
6 683 1 1 6 PHE CG C -3.112 2.933 -12.552 1.00 . A A . 6 PHE CG 1 1
6 684 1 1 6 PHE CZ C -4.738 4.808 -13.848 1.00 . A A . 6 PHE CZ 1 1
6 685 1 1 6 PHE H H -0.151 2.400 -9.394 1.00 . A A . 6 PHE H 1 1
6 686 1 1 6 PHE HA H -2.760 2.957 -10.051 1.00 . A A . 6 PHE HA 1 1
6 687 1 1 6 PHE HB2 H -1.264 1.903 -12.345 1.00 . A A . 6 PHE HB2 1 1
6 688 1 1 6 PHE HB3 H -2.696 0.936 -11.952 1.00 . A A . 6 PHE HB3 1 1
6 689 1 1 6 PHE HD1 H -4.690 2.815 -11.090 1.00 . A A . 6 PHE HD1 1 1
6 690 1 1 6 PHE HD2 H -1.722 3.264 -14.162 1.00 . A A . 6 PHE HD2 1 1
6 691 1 1 6 PHE HE1 H -6.130 4.476 -12.238 1.00 . A A . 6 PHE HE1 1 1
6 692 1 1 6 PHE HE2 H -3.161 4.924 -15.311 1.00 . A A . 6 PHE HE2 1 1
6 693 1 1 6 PHE HZ H -5.365 5.531 -14.349 1.00 . A A . 6 PHE HZ 1 1
6 694 1 1 6 PHE N N -0.697 2.749 -10.169 1.00 . A A . 6 PHE N 1 1
6 695 1 1 6 PHE O O -3.308 0.406 -9.467 1.00 . A A . 6 PHE O 1 1
6 696 1 1 7 THR C C -1.502 -0.326 -6.647 1.00 . A A . 7 THR C 1 1
6 697 1 1 7 THR CA C -1.176 -0.700 -8.086 1.00 . A A . 7 THR CA 1 1
6 698 1 1 7 THR CB C 0.164 -1.426 -8.164 1.00 . A A . 7 THR CB 1 1
6 699 1 1 7 THR CG2 C 1.289 -0.404 -8.301 1.00 . A A . 7 THR CG2 1 1
6 700 1 1 7 THR H H -0.247 0.978 -8.999 1.00 . A A . 7 THR H 1 1
6 701 1 1 7 THR HA H -1.957 -1.360 -8.465 1.00 . A A . 7 THR HA 1 1
6 702 1 1 7 THR HB H 0.168 -2.089 -9.030 1.00 . A A . 7 THR HB 1 1
6 703 1 1 7 THR HG1 H 0.162 -3.103 -7.186 1.00 . A A . 7 THR HG1 1 1
6 704 1 1 7 THR HG21 H 0.985 0.381 -8.993 1.00 . A A . 7 THR HG21 1 1
6 705 1 1 7 THR HG22 H 1.503 0.034 -7.326 1.00 . A A . 7 THR HG22 1 1
6 706 1 1 7 THR HG23 H 2.184 -0.897 -8.682 1.00 . A A . 7 THR HG23 1 1
6 707 1 1 7 THR N N -1.127 0.492 -8.908 1.00 . A A . 7 THR N 1 1
6 708 1 1 7 THR O O -2.588 -0.622 -6.154 1.00 . A A . 7 THR O 1 1
6 709 1 1 7 THR OG1 O 0.358 -2.184 -6.991 1.00 . A A . 7 THR OG1 1 1
6 710 1 1 8 GLY C C -2.152 1.294 -4.402 1.00 . A A . 8 GLY C 1 1
6 711 1 1 8 GLY CA C -0.747 0.741 -4.596 1.00 . A A . 8 GLY CA 1 1
6 712 1 1 8 GLY H H 0.322 0.551 -6.423 1.00 . A A . 8 GLY H 1 1
6 713 1 1 8 GLY HA2 H -0.604 -0.118 -3.941 1.00 . A A . 8 GLY HA2 1 1
6 714 1 1 8 GLY HA3 H -0.019 1.512 -4.345 1.00 . A A . 8 GLY HA3 1 1
6 715 1 1 8 GLY N N -0.555 0.330 -5.973 1.00 . A A . 8 GLY N 1 1
6 716 1 1 8 GLY O O -3.052 0.575 -3.974 1.00 . A A . 8 GLY O 1 1
6 717 1 1 9 CYS C C -4.580 2.703 -5.648 1.00 . A A . 9 CYS C 1 1
6 718 1 1 9 CYS CA C -3.628 3.222 -4.580 1.00 . A A . 9 CYS CA 1 1
6 719 1 1 9 CYS CB C -3.456 4.733 -4.698 1.00 . A A . 9 CYS CB 1 1
6 720 1 1 9 CYS H H -1.563 3.124 -5.069 1.00 . A A . 9 CYS H 1 1
6 721 1 1 9 CYS HA H -4.036 2.987 -3.597 1.00 . A A . 9 CYS HA 1 1
6 722 1 1 9 CYS HB2 H -2.443 4.941 -5.045 1.00 . A A . 9 CYS HB2 1 1
6 723 1 1 9 CYS HB3 H -4.162 5.106 -5.439 1.00 . A A . 9 CYS HB3 1 1
6 724 1 1 9 CYS N N -2.337 2.577 -4.720 1.00 . A A . 9 CYS N 1 1
6 725 1 1 9 CYS O O -5.585 2.070 -5.331 1.00 . A A . 9 CYS O 1 1
6 726 1 1 9 CYS SG S -3.725 5.627 -3.146 1.00 . A A . 9 CYS SG 1 1
7 727 1 1 1 PRO C C 0.991 2.426 -0.033 1.00 . A A . 1 PRO C 1 1
7 728 1 1 1 PRO CA C 1.496 1.182 0.682 1.00 . A A . 1 PRO CA 1 1
7 729 1 1 1 PRO CB C 3.018 1.085 0.603 1.00 . A A . 1 PRO CB 1 1
7 730 1 1 1 PRO CD C 2.080 -0.664 -0.719 1.00 . A A . 1 PRO CD 1 1
7 731 1 1 1 PRO CG C 3.242 0.326 -0.704 1.00 . A A . 1 PRO CG 1 1
7 732 1 1 1 PRO H2 H 0.000 0.000 0.000 1.00 . A A . 1 PRO H2 1 1
7 733 1 1 1 PRO H3 H 1.352 0.000 -0.956 1.00 . A A . 1 PRO H3 1 1
7 734 1 1 1 PRO HA H 1.170 1.194 1.722 1.00 . A A . 1 PRO HA 1 1
7 735 1 1 1 PRO HB2 H 3.496 2.065 0.602 1.00 . A A . 1 PRO HB2 1 1
7 736 1 1 1 PRO HB3 H 3.383 0.480 1.434 1.00 . A A . 1 PRO HB3 1 1
7 737 1 1 1 PRO HD2 H 1.786 -0.902 -1.741 1.00 . A A . 1 PRO HD2 1 1
7 738 1 1 1 PRO HD3 H 2.360 -1.571 -0.184 1.00 . A A . 1 PRO HD3 1 1
7 739 1 1 1 PRO HG2 H 3.136 1.017 -1.540 1.00 . A A . 1 PRO HG2 1 1
7 740 1 1 1 PRO HG3 H 4.211 -0.173 -0.734 1.00 . A A . 1 PRO HG3 1 1
7 741 1 1 1 PRO N N 1.014 0.000 0.000 1.00 . A A . 1 PRO N 1 1
7 742 1 1 1 PRO O O -0.040 2.386 -0.701 1.00 . A A . 1 PRO O 1 1
7 743 1 1 2 PHE C C 0.862 4.520 -1.943 1.00 . A A . 2 PHE C 1 1
7 744 1 1 2 PHE CA C 1.340 4.784 -0.522 1.00 . A A . 2 PHE CA 1 1
7 745 1 1 2 PHE CB C 2.532 5.737 -0.519 1.00 . A A . 2 PHE CB 1 1
7 746 1 1 2 PHE CD1 C 4.645 4.391 -0.238 1.00 . A A . 2 PHE CD1 1 1
7 747 1 1 2 PHE CD2 C 3.808 5.657 1.653 1.00 . A A . 2 PHE CD2 1 1
7 748 1 1 2 PHE CE1 C 5.718 3.939 0.539 1.00 . A A . 2 PHE CE1 1 1
7 749 1 1 2 PHE CE2 C 4.881 5.204 2.431 1.00 . A A . 2 PHE CE2 1 1
7 750 1 1 2 PHE CG C 3.690 5.251 0.319 1.00 . A A . 2 PHE CG 1 1
7 751 1 1 2 PHE CZ C 5.836 4.346 1.873 1.00 . A A . 2 PHE CZ 1 1
7 752 1 1 2 PHE H H 2.560 3.516 0.669 1.00 . A A . 2 PHE H 1 1
7 753 1 1 2 PHE HA H 0.526 5.234 0.047 1.00 . A A . 2 PHE HA 1 1
7 754 1 1 2 PHE HB2 H 2.875 5.867 -1.545 1.00 . A A . 2 PHE HB2 1 1
7 755 1 1 2 PHE HB3 H 2.205 6.703 -0.134 1.00 . A A . 2 PHE HB3 1 1
7 756 1 1 2 PHE HD1 H 4.553 4.077 -1.268 1.00 . A A . 2 PHE HD1 1 1
7 757 1 1 2 PHE HD2 H 3.071 6.319 2.083 1.00 . A A . 2 PHE HD2 1 1
7 758 1 1 2 PHE HE1 H 6.454 3.276 0.109 1.00 . A A . 2 PHE HE1 1 1
7 759 1 1 2 PHE HE2 H 4.972 5.518 3.460 1.00 . A A . 2 PHE HE2 1 1
7 760 1 1 2 PHE HZ H 6.663 3.996 2.473 1.00 . A A . 2 PHE HZ 1 1
7 761 1 1 2 PHE N N 1.719 3.536 0.109 1.00 . A A . 2 PHE N 1 1
7 762 1 1 2 PHE O O 1.247 3.526 -2.555 1.00 . A A . 2 PHE O 1 1
7 763 1 1 3 CYS C C 0.610 4.858 -4.758 1.00 . A A . 3 CYS C 1 1
7 764 1 1 3 CYS CA C -0.505 5.276 -3.810 1.00 . A A . 3 CYS CA 1 1
7 765 1 1 3 CYS CB C -1.123 6.599 -4.252 1.00 . A A . 3 CYS CB 1 1
7 766 1 1 3 CYS H H -0.264 6.215 -1.920 1.00 . A A . 3 CYS H 1 1
7 767 1 1 3 CYS HA H -1.277 4.507 -3.810 1.00 . A A . 3 CYS HA 1 1
7 768 1 1 3 CYS HB2 H -0.329 7.342 -4.335 1.00 . A A . 3 CYS HB2 1 1
7 769 1 1 3 CYS HB3 H -1.574 6.460 -5.235 1.00 . A A . 3 CYS HB3 1 1
7 770 1 1 3 CYS N N 0.021 5.415 -2.466 1.00 . A A . 3 CYS N 1 1
7 771 1 1 3 CYS O O 1.785 5.079 -4.474 1.00 . A A . 3 CYS O 1 1
7 772 1 1 3 CYS SG S -2.388 7.234 -3.124 1.00 . A A . 3 CYS SG 1 1
7 773 1 1 4 ASN C C 0.748 4.197 -8.266 1.00 . A A . 4 ASN C 1 1
7 774 1 1 4 ASN CA C 1.208 3.806 -6.869 1.00 . A A . 4 ASN CA 1 1
7 775 1 1 4 ASN CB C 1.381 2.294 -6.761 1.00 . A A . 4 ASN CB 1 1
7 776 1 1 4 ASN CG C 2.856 1.916 -6.746 1.00 . A A . 4 ASN CG 1 1
7 777 1 1 4 ASN H H -0.741 4.092 -6.073 1.00 . A A . 4 ASN H 1 1
7 778 1 1 4 ASN HA H 2.164 4.287 -6.665 1.00 . A A . 4 ASN HA 1 1
7 779 1 1 4 ASN HB2 H 0.912 1.945 -5.841 1.00 . A A . 4 ASN HB2 1 1
7 780 1 1 4 ASN HB3 H 0.898 1.816 -7.613 1.00 . A A . 4 ASN HB3 1 1
7 781 1 1 4 ASN HD21 H 2.448 0.190 -5.745 1.00 . A A . 4 ASN HD21 1 1
7 782 1 1 4 ASN HD22 H 4.136 0.464 -6.116 1.00 . A A . 4 ASN HD22 1 1
7 783 1 1 4 ASN N N 0.239 4.251 -5.887 1.00 . A A . 4 ASN N 1 1
7 784 1 1 4 ASN ND2 N 3.172 0.762 -6.154 1.00 . A A . 4 ASN ND2 1 1
7 785 1 1 4 ASN O O -0.312 4.797 -8.430 1.00 . A A . 4 ASN O 1 1
7 786 1 1 4 ASN OD1 O 3.692 2.655 -7.260 1.00 . A A . 4 ASN OD1 1 1
7 787 1 1 5 ALA C C -0.183 3.690 -10.972 1.00 . A A . 5 ALA C 1 1
7 788 1 1 5 ALA CA C 1.226 4.170 -10.652 1.00 . A A . 5 ALA CA 1 1
7 789 1 1 5 ALA CB C 2.245 3.512 -11.578 1.00 . A A . 5 ALA CB 1 1
7 790 1 1 5 ALA H H 2.412 3.361 -9.087 1.00 . A A . 5 ALA H 1 1
7 791 1 1 5 ALA HA H 1.271 5.250 -10.788 1.00 . A A . 5 ALA HA 1 1
7 792 1 1 5 ALA HB1 H 1.745 3.173 -12.486 1.00 . A A . 5 ALA HB1 1 1
7 793 1 1 5 ALA HB2 H 3.020 4.234 -11.837 1.00 . A A . 5 ALA HB2 1 1
7 794 1 1 5 ALA HB3 H 2.697 2.659 -11.073 1.00 . A A . 5 ALA HB3 1 1
7 795 1 1 5 ALA N N 1.551 3.854 -9.276 1.00 . A A . 5 ALA N 1 1
7 796 1 1 5 ALA O O -0.797 4.156 -11.929 1.00 . A A . 5 ALA O 1 1
7 797 1 1 6 PHE C C -2.205 0.958 -9.538 1.00 . A A . 6 PHE C 1 1
7 798 1 1 6 PHE CA C -2.025 2.220 -10.369 1.00 . A A . 6 PHE CA 1 1
7 799 1 1 6 PHE CB C -2.234 1.927 -11.852 1.00 . A A . 6 PHE CB 1 1
7 800 1 1 6 PHE CD1 C -4.200 3.503 -11.891 1.00 . A A . 6 PHE CD1 1 1
7 801 1 1 6 PHE CD2 C -2.798 3.338 -13.863 1.00 . A A . 6 PHE CD2 1 1
7 802 1 1 6 PHE CE1 C -5.001 4.451 -12.540 1.00 . A A . 6 PHE CE1 1 1
7 803 1 1 6 PHE CE2 C -3.599 4.286 -14.511 1.00 . A A . 6 PHE CE2 1 1
7 804 1 1 6 PHE CG C -3.099 2.947 -12.553 1.00 . A A . 6 PHE CG 1 1
7 805 1 1 6 PHE CZ C -4.701 4.842 -13.850 1.00 . A A . 6 PHE CZ 1 1
7 806 1 1 6 PHE H H -0.147 2.407 -9.393 1.00 . A A . 6 PHE H 1 1
7 807 1 1 6 PHE HA H -2.757 2.961 -10.049 1.00 . A A . 6 PHE HA 1 1
7 808 1 1 6 PHE HB2 H -1.260 1.902 -12.342 1.00 . A A . 6 PHE HB2 1 1
7 809 1 1 6 PHE HB3 H -2.701 0.947 -11.951 1.00 . A A . 6 PHE HB3 1 1
7 810 1 1 6 PHE HD1 H -4.432 3.202 -10.880 1.00 . A A . 6 PHE HD1 1 1
7 811 1 1 6 PHE HD2 H -1.948 2.910 -14.373 1.00 . A A . 6 PHE HD2 1 1
7 812 1 1 6 PHE HE1 H -5.851 4.880 -12.029 1.00 . A A . 6 PHE HE1 1 1
7 813 1 1 6 PHE HE2 H -3.367 4.588 -15.522 1.00 . A A . 6 PHE HE2 1 1
7 814 1 1 6 PHE HZ H -5.319 5.573 -14.350 1.00 . A A . 6 PHE HZ 1 1
7 815 1 1 6 PHE N N -0.694 2.756 -10.167 1.00 . A A . 6 PHE N 1 1
7 816 1 1 6 PHE O O -3.302 0.409 -9.467 1.00 . A A . 6 PHE O 1 1
7 817 1 1 7 THR C C -1.495 -0.323 -6.649 1.00 . A A . 7 THR C 1 1
7 818 1 1 7 THR CA C -1.169 -0.696 -8.088 1.00 . A A . 7 THR CA 1 1
7 819 1 1 7 THR CB C 0.172 -1.420 -8.167 1.00 . A A . 7 THR CB 1 1
7 820 1 1 7 THR CG2 C 1.296 -0.397 -8.301 1.00 . A A . 7 THR CG2 1 1
7 821 1 1 7 THR H H -0.242 0.984 -9.000 1.00 . A A . 7 THR H 1 1
7 822 1 1 7 THR HA H -1.949 -1.356 -8.467 1.00 . A A . 7 THR HA 1 1
7 823 1 1 7 THR HB H 0.177 -2.081 -9.034 1.00 . A A . 7 THR HB 1 1
7 824 1 1 7 THR HG1 H 1.191 -2.664 -7.079 1.00 . A A . 7 THR HG1 1 1
7 825 1 1 7 THR HG21 H 1.511 0.038 -7.325 1.00 . A A . 7 THR HG21 1 1
7 826 1 1 7 THR HG22 H 2.191 -0.887 -8.685 1.00 . A A . 7 THR HG22 1 1
7 827 1 1 7 THR HG23 H 0.990 0.391 -8.990 1.00 . A A . 7 THR HG23 1 1
7 828 1 1 7 THR N N -1.122 0.497 -8.909 1.00 . A A . 7 THR N 1 1
7 829 1 1 7 THR O O -2.581 -0.621 -6.156 1.00 . A A . 7 THR O 1 1
7 830 1 1 7 THR OG1 O 0.366 -2.180 -6.995 1.00 . A A . 7 THR OG1 1 1
7 831 1 1 8 GLY C C -2.147 1.292 -4.402 1.00 . A A . 8 GLY C 1 1
7 832 1 1 8 GLY CA C -0.741 0.742 -4.597 1.00 . A A . 8 GLY CA 1 1
7 833 1 1 8 GLY H H 0.328 0.555 -6.424 1.00 . A A . 8 GLY H 1 1
7 834 1 1 8 GLY HA2 H -0.595 -0.117 -3.942 1.00 . A A . 8 GLY HA2 1 1
7 835 1 1 8 GLY HA3 H -0.014 1.515 -4.345 1.00 . A A . 8 GLY HA3 1 1
7 836 1 1 8 GLY N N -0.548 0.333 -5.974 1.00 . A A . 8 GLY N 1 1
7 837 1 1 8 GLY O O -3.045 0.571 -3.972 1.00 . A A . 8 GLY O 1 1
7 838 1 1 9 CYS C C -4.579 2.697 -5.646 1.00 . A A . 9 CYS C 1 1
7 839 1 1 9 CYS CA C -3.627 3.217 -4.578 1.00 . A A . 9 CYS CA 1 1
7 840 1 1 9 CYS CB C -3.458 4.729 -4.694 1.00 . A A . 9 CYS CB 1 1
7 841 1 1 9 CYS H H -1.563 3.123 -5.068 1.00 . A A . 9 CYS H 1 1
7 842 1 1 9 CYS HA H -4.035 2.980 -3.595 1.00 . A A . 9 CYS HA 1 1
7 843 1 1 9 CYS HB2 H -2.447 4.939 -5.042 1.00 . A A . 9 CYS HB2 1 1
7 844 1 1 9 CYS HB3 H -4.166 5.101 -5.434 1.00 . A A . 9 CYS HB3 1 1
7 845 1 1 9 CYS N N -2.335 2.575 -4.719 1.00 . A A . 9 CYS N 1 1
7 846 1 1 9 CYS O O -4.857 1.501 -5.703 1.00 . A A . 9 CYS O 1 1
7 847 1 1 9 CYS SG S -3.729 5.620 -3.141 1.00 . A A . 9 CYS SG 1 1
8 848 1 1 1 PRO C C 0.991 2.426 -0.033 1.00 . A A . 1 PRO C 1 1
8 849 1 1 1 PRO CA C 1.496 1.182 0.682 1.00 . A A . 1 PRO CA 1 1
8 850 1 1 1 PRO CB C 3.018 1.085 0.603 1.00 . A A . 1 PRO CB 1 1
8 851 1 1 1 PRO CD C 2.080 -0.664 -0.719 1.00 . A A . 1 PRO CD 1 1
8 852 1 1 1 PRO CG C 3.242 0.326 -0.704 1.00 . A A . 1 PRO CG 1 1
8 853 1 1 1 PRO H2 H 0.000 0.000 0.000 1.00 . A A . 1 PRO H2 1 1
8 854 1 1 1 PRO H3 H 1.352 0.000 -0.956 1.00 . A A . 1 PRO H3 1 1
8 855 1 1 1 PRO HA H 1.170 1.194 1.722 1.00 . A A . 1 PRO HA 1 1
8 856 1 1 1 PRO HB2 H 3.496 2.065 0.602 1.00 . A A . 1 PRO HB2 1 1
8 857 1 1 1 PRO HB3 H 3.383 0.480 1.434 1.00 . A A . 1 PRO HB3 1 1
8 858 1 1 1 PRO HD2 H 1.786 -0.902 -1.741 1.00 . A A . 1 PRO HD2 1 1
8 859 1 1 1 PRO HD3 H 2.360 -1.571 -0.184 1.00 . A A . 1 PRO HD3 1 1
8 860 1 1 1 PRO HG2 H 3.136 1.017 -1.540 1.00 . A A . 1 PRO HG2 1 1
8 861 1 1 1 PRO HG3 H 4.211 -0.173 -0.734 1.00 . A A . 1 PRO HG3 1 1
8 862 1 1 1 PRO N N 1.014 0.000 0.000 1.00 . A A . 1 PRO N 1 1
8 863 1 1 1 PRO O O -0.040 2.386 -0.701 1.00 . A A . 1 PRO O 1 1
8 864 1 1 2 PHE C C 0.863 4.520 -1.943 1.00 . A A . 2 PHE C 1 1
8 865 1 1 2 PHE CA C 1.340 4.784 -0.522 1.00 . A A . 2 PHE CA 1 1
8 866 1 1 2 PHE CB C 2.531 5.737 -0.518 1.00 . A A . 2 PHE CB 1 1
8 867 1 1 2 PHE CD1 C 1.291 7.799 0.233 1.00 . A A . 2 PHE CD1 1 1
8 868 1 1 2 PHE CD2 C 3.268 7.116 1.459 1.00 . A A . 2 PHE CD2 1 1
8 869 1 1 2 PHE CE1 C 1.131 8.889 1.098 1.00 . A A . 2 PHE CE1 1 1
8 870 1 1 2 PHE CE2 C 3.108 8.205 2.324 1.00 . A A . 2 PHE CE2 1 1
8 871 1 1 2 PHE CG C 2.360 6.913 0.413 1.00 . A A . 2 PHE CG 1 1
8 872 1 1 2 PHE CZ C 2.040 9.091 2.143 1.00 . A A . 2 PHE CZ 1 1
8 873 1 1 2 PHE H H 2.560 3.516 0.669 1.00 . A A . 2 PHE H 1 1
8 874 1 1 2 PHE HA H 0.525 5.234 0.046 1.00 . A A . 2 PHE HA 1 1
8 875 1 1 2 PHE HB2 H 3.420 5.182 -0.217 1.00 . A A . 2 PHE HB2 1 1
8 876 1 1 2 PHE HB3 H 2.680 6.113 -1.530 1.00 . A A . 2 PHE HB3 1 1
8 877 1 1 2 PHE HD1 H 0.590 7.643 -0.574 1.00 . A A . 2 PHE HD1 1 1
8 878 1 1 2 PHE HD2 H 4.092 6.432 1.599 1.00 . A A . 2 PHE HD2 1 1
8 879 1 1 2 PHE HE1 H 0.307 9.572 0.958 1.00 . A A . 2 PHE HE1 1 1
8 880 1 1 2 PHE HE2 H 3.809 8.361 3.131 1.00 . A A . 2 PHE HE2 1 1
8 881 1 1 2 PHE HZ H 1.916 9.931 2.811 1.00 . A A . 2 PHE HZ 1 1
8 882 1 1 2 PHE N N 1.719 3.536 0.109 1.00 . A A . 2 PHE N 1 1
8 883 1 1 2 PHE O O 1.247 3.526 -2.555 1.00 . A A . 2 PHE O 1 1
8 884 1 1 3 CYS C C 0.614 4.858 -4.759 1.00 . A A . 3 CYS C 1 1
8 885 1 1 3 CYS CA C -0.501 5.277 -3.811 1.00 . A A . 3 CYS CA 1 1
8 886 1 1 3 CYS CB C -1.119 6.601 -4.254 1.00 . A A . 3 CYS CB 1 1
8 887 1 1 3 CYS H H -0.261 6.216 -1.922 1.00 . A A . 3 CYS H 1 1
8 888 1 1 3 CYS HA H -1.274 4.509 -3.812 1.00 . A A . 3 CYS HA 1 1
8 889 1 1 3 CYS HB2 H -0.325 7.344 -4.333 1.00 . A A . 3 CYS HB2 1 1
8 890 1 1 3 CYS HB3 H -1.565 6.462 -5.239 1.00 . A A . 3 CYS HB3 1 1
8 891 1 1 3 CYS N N 0.023 5.416 -2.468 1.00 . A A . 3 CYS N 1 1
8 892 1 1 3 CYS O O 1.789 5.077 -4.473 1.00 . A A . 3 CYS O 1 1
8 893 1 1 3 CYS SG S -2.389 7.233 -3.130 1.00 . A A . 3 CYS SG 1 1
8 894 1 1 4 ASN C C 0.755 4.202 -8.268 1.00 . A A . 4 ASN C 1 1
8 895 1 1 4 ASN CA C 1.213 3.809 -6.870 1.00 . A A . 4 ASN CA 1 1
8 896 1 1 4 ASN CB C 1.384 2.296 -6.764 1.00 . A A . 4 ASN CB 1 1
8 897 1 1 4 ASN CG C 2.858 1.916 -6.752 1.00 . A A . 4 ASN CG 1 1
8 898 1 1 4 ASN H H -0.737 4.097 -6.077 1.00 . A A . 4 ASN H 1 1
8 899 1 1 4 ASN HA H 2.170 4.288 -6.665 1.00 . A A . 4 ASN HA 1 1
8 900 1 1 4 ASN HB2 H 0.917 1.947 -5.843 1.00 . A A . 4 ASN HB2 1 1
8 901 1 1 4 ASN HB3 H 0.899 1.820 -7.615 1.00 . A A . 4 ASN HB3 1 1
8 902 1 1 4 ASN HD21 H 2.452 0.198 -5.737 1.00 . A A . 4 ASN HD21 1 1
8 903 1 1 4 ASN HD22 H 4.139 0.467 -6.116 1.00 . A A . 4 ASN HD22 1 1
8 904 1 1 4 ASN N N 0.243 4.254 -5.890 1.00 . A A . 4 ASN N 1 1
8 905 1 1 4 ASN ND2 N 3.176 0.766 -6.153 1.00 . A A . 4 ASN ND2 1 1
8 906 1 1 4 ASN O O -0.299 4.813 -8.431 1.00 . A A . 4 ASN O 1 1
8 907 1 1 4 ASN OD1 O 3.694 2.651 -7.274 1.00 . A A . 4 ASN OD1 1 1
8 908 1 1 5 ALA C C -0.177 3.677 -10.978 1.00 . A A . 5 ALA C 1 1
8 909 1 1 5 ALA CA C 1.228 4.164 -10.655 1.00 . A A . 5 ALA CA 1 1
8 910 1 1 5 ALA CB C 2.253 3.513 -11.580 1.00 . A A . 5 ALA CB 1 1
8 911 1 1 5 ALA H H 2.408 3.346 -9.089 1.00 . A A . 5 ALA H 1 1
8 912 1 1 5 ALA HA H 1.268 5.245 -10.788 1.00 . A A . 5 ALA HA 1 1
8 913 1 1 5 ALA HB1 H 1.775 3.249 -12.523 1.00 . A A . 5 ALA HB1 1 1
8 914 1 1 5 ALA HB2 H 3.068 4.212 -11.768 1.00 . A A . 5 ALA HB2 1 1
8 915 1 1 5 ALA HB3 H 2.648 2.613 -11.108 1.00 . A A . 5 ALA HB3 1 1
8 916 1 1 5 ALA N N 1.552 3.848 -9.278 1.00 . A A . 5 ALA N 1 1
8 917 1 1 5 ALA O O -0.790 4.137 -11.939 1.00 . A A . 5 ALA O 1 1
8 918 1 1 6 PHE C C -2.192 0.939 -9.543 1.00 . A A . 6 PHE C 1 1
8 919 1 1 6 PHE CA C -2.014 2.199 -10.379 1.00 . A A . 6 PHE CA 1 1
8 920 1 1 6 PHE CB C -2.215 1.899 -11.861 1.00 . A A . 6 PHE CB 1 1
8 921 1 1 6 PHE CD1 C -4.267 3.360 -11.961 1.00 . A A . 6 PHE CD1 1 1
8 922 1 1 6 PHE CD2 C -2.721 3.392 -13.828 1.00 . A A . 6 PHE CD2 1 1
8 923 1 1 6 PHE CE1 C -5.076 4.297 -12.615 1.00 . A A . 6 PHE CE1 1 1
8 924 1 1 6 PHE CE2 C -3.530 4.328 -14.482 1.00 . A A . 6 PHE CE2 1 1
8 925 1 1 6 PHE CG C -3.089 2.907 -12.568 1.00 . A A . 6 PHE CG 1 1
8 926 1 1 6 PHE CZ C -4.707 4.781 -13.876 1.00 . A A . 6 PHE CZ 1 1
8 927 1 1 6 PHE H H -0.141 2.397 -9.396 1.00 . A A . 6 PHE H 1 1
8 928 1 1 6 PHE HA H -2.751 2.938 -10.065 1.00 . A A . 6 PHE HA 1 1
8 929 1 1 6 PHE HB2 H -1.240 1.882 -12.348 1.00 . A A . 6 PHE HB2 1 1
8 930 1 1 6 PHE HB3 H -2.672 0.914 -11.959 1.00 . A A . 6 PHE HB3 1 1
8 931 1 1 6 PHE HD1 H -4.551 2.987 -10.988 1.00 . A A . 6 PHE HD1 1 1
8 932 1 1 6 PHE HD2 H -1.812 3.043 -14.296 1.00 . A A . 6 PHE HD2 1 1
8 933 1 1 6 PHE HE1 H -5.984 4.646 -12.147 1.00 . A A . 6 PHE HE1 1 1
8 934 1 1 6 PHE HE2 H -3.245 4.702 -15.455 1.00 . A A . 6 PHE HE2 1 1
8 935 1 1 6 PHE HZ H -5.331 5.504 -14.380 1.00 . A A . 6 PHE HZ 1 1
8 936 1 1 6 PHE N N -0.686 2.742 -10.173 1.00 . A A . 6 PHE N 1 1
8 937 1 1 6 PHE O O -3.288 0.388 -9.471 1.00 . A A . 6 PHE O 1 1
8 938 1 1 7 THR C C -1.483 -0.329 -6.648 1.00 . A A . 7 THR C 1 1
8 939 1 1 7 THR CA C -1.153 -0.706 -8.085 1.00 . A A . 7 THR CA 1 1
8 940 1 1 7 THR CB C 0.190 -1.427 -8.159 1.00 . A A . 7 THR CB 1 1
8 941 1 1 7 THR CG2 C 1.311 -0.401 -8.300 1.00 . A A . 7 THR CG2 1 1
8 942 1 1 7 THR H H -0.230 0.973 -9.002 1.00 . A A . 7 THR H 1 1
8 943 1 1 7 THR HA H -1.931 -1.370 -8.463 1.00 . A A . 7 THR HA 1 1
8 944 1 1 7 THR HB H 0.197 -2.094 -9.022 1.00 . A A . 7 THR HB 1 1
8 945 1 1 7 THR HG1 H -0.287 -1.927 -6.345 1.00 . A A . 7 THR HG1 1 1
8 946 1 1 7 THR HG21 H 1.003 0.380 -8.996 1.00 . A A . 7 THR HG21 1 1
8 947 1 1 7 THR HG22 H 1.523 0.042 -7.327 1.00 . A A . 7 THR HG22 1 1
8 948 1 1 7 THR HG23 H 2.207 -0.892 -8.679 1.00 . A A . 7 THR HG23 1 1
8 949 1 1 7 THR N N -1.108 0.484 -8.910 1.00 . A A . 7 THR N 1 1
8 950 1 1 7 THR O O -2.570 -0.625 -6.157 1.00 . A A . 7 THR O 1 1
8 951 1 1 7 THR OG1 O 0.386 -2.178 -6.983 1.00 . A A . 7 THR OG1 1 1
8 952 1 1 8 GLY C C -2.141 1.292 -4.407 1.00 . A A . 8 GLY C 1 1
8 953 1 1 8 GLY CA C -0.734 0.743 -4.597 1.00 . A A . 8 GLY CA 1 1
8 954 1 1 8 GLY H H 0.340 0.549 -6.421 1.00 . A A . 8 GLY H 1 1
8 955 1 1 8 GLY HA2 H -0.590 -0.114 -3.939 1.00 . A A . 8 GLY HA2 1 1
8 956 1 1 8 GLY HA3 H -0.008 1.516 -4.347 1.00 . A A . 8 GLY HA3 1 1
8 957 1 1 8 GLY N N -0.538 0.329 -5.972 1.00 . A A . 8 GLY N 1 1
8 958 1 1 8 GLY O O -3.039 0.573 -3.977 1.00 . A A . 8 GLY O 1 1
8 959 1 1 9 CYS C C -4.568 2.698 -5.668 1.00 . A A . 9 CYS C 1 1
8 960 1 1 9 CYS CA C -3.621 3.216 -4.594 1.00 . A A . 9 CYS CA 1 1
8 961 1 1 9 CYS CB C -3.451 4.728 -4.706 1.00 . A A . 9 CYS CB 1 1
8 962 1 1 9 CYS H H -1.555 3.122 -5.080 1.00 . A A . 9 CYS H 1 1
8 963 1 1 9 CYS HA H -4.033 2.978 -3.614 1.00 . A A . 9 CYS HA 1 1
8 964 1 1 9 CYS HB2 H -2.438 4.939 -5.049 1.00 . A A . 9 CYS HB2 1 1
8 965 1 1 9 CYS HB3 H -4.155 5.102 -5.450 1.00 . A A . 9 CYS HB3 1 1
8 966 1 1 9 CYS N N -2.329 2.574 -4.730 1.00 . A A . 9 CYS N 1 1
8 967 1 1 9 CYS O O -5.778 2.649 -5.459 1.00 . A A . 9 CYS O 1 1
8 968 1 1 9 CYS SG S -3.728 5.616 -3.154 1.00 . A A . 9 CYS SG 1 1
9 969 1 1 1 PRO C C 0.991 2.426 -0.033 1.00 . A A . 1 PRO C 1 1
9 970 1 1 1 PRO CA C 1.496 1.182 0.682 1.00 . A A . 1 PRO CA 1 1
9 971 1 1 1 PRO CB C 3.018 1.085 0.603 1.00 . A A . 1 PRO CB 1 1
9 972 1 1 1 PRO CD C 2.080 -0.664 -0.719 1.00 . A A . 1 PRO CD 1 1
9 973 1 1 1 PRO CG C 3.242 0.326 -0.704 1.00 . A A . 1 PRO CG 1 1
9 974 1 1 1 PRO H2 H 0.000 0.000 0.000 1.00 . A A . 1 PRO H2 1 1
9 975 1 1 1 PRO H3 H 1.352 0.000 -0.956 1.00 . A A . 1 PRO H3 1 1
9 976 1 1 1 PRO HA H 1.170 1.194 1.722 1.00 . A A . 1 PRO HA 1 1
9 977 1 1 1 PRO HB2 H 3.496 2.065 0.602 1.00 . A A . 1 PRO HB2 1 1
9 978 1 1 1 PRO HB3 H 3.383 0.480 1.434 1.00 . A A . 1 PRO HB3 1 1
9 979 1 1 1 PRO HD2 H 1.786 -0.902 -1.741 1.00 . A A . 1 PRO HD2 1 1
9 980 1 1 1 PRO HD3 H 2.360 -1.571 -0.184 1.00 . A A . 1 PRO HD3 1 1
9 981 1 1 1 PRO HG2 H 3.136 1.017 -1.540 1.00 . A A . 1 PRO HG2 1 1
9 982 1 1 1 PRO HG3 H 4.211 -0.173 -0.734 1.00 . A A . 1 PRO HG3 1 1
9 983 1 1 1 PRO N N 1.014 0.000 0.000 1.00 . A A . 1 PRO N 1 1
9 984 1 1 1 PRO O O -0.042 2.386 -0.699 1.00 . A A . 1 PRO O 1 1
9 985 1 1 2 PHE C C 0.865 4.519 -1.945 1.00 . A A . 2 PHE C 1 1
9 986 1 1 2 PHE CA C 1.341 4.783 -0.524 1.00 . A A . 2 PHE CA 1 1
9 987 1 1 2 PHE CB C 2.533 5.737 -0.520 1.00 . A A . 2 PHE CB 1 1
9 988 1 1 2 PHE CD1 C 1.260 7.766 0.267 1.00 . A A . 2 PHE CD1 1 1
9 989 1 1 2 PHE CD2 C 3.300 7.148 1.423 1.00 . A A . 2 PHE CD2 1 1
9 990 1 1 2 PHE CE1 C 1.099 8.854 1.132 1.00 . A A . 2 PHE CE1 1 1
9 991 1 1 2 PHE CE2 C 3.140 8.237 2.288 1.00 . A A . 2 PHE CE2 1 1
9 992 1 1 2 PHE CG C 2.360 6.913 0.412 1.00 . A A . 2 PHE CG 1 1
9 993 1 1 2 PHE CZ C 2.039 9.090 2.142 1.00 . A A . 2 PHE CZ 1 1
9 994 1 1 2 PHE H H 2.562 3.515 0.666 1.00 . A A . 2 PHE H 1 1
9 995 1 1 2 PHE HA H 0.526 5.233 0.044 1.00 . A A . 2 PHE HA 1 1
9 996 1 1 2 PHE HB2 H 3.421 5.182 -0.218 1.00 . A A . 2 PHE HB2 1 1
9 997 1 1 2 PHE HB3 H 2.681 6.113 -1.532 1.00 . A A . 2 PHE HB3 1 1
9 998 1 1 2 PHE HD1 H 0.535 7.583 -0.512 1.00 . A A . 2 PHE HD1 1 1
9 999 1 1 2 PHE HD2 H 4.149 6.490 1.535 1.00 . A A . 2 PHE HD2 1 1
9 1000 1 1 2 PHE HE1 H 0.250 9.512 1.020 1.00 . A A . 2 PHE HE1 1 1
9 1001 1 1 2 PHE HE2 H 3.865 8.419 3.068 1.00 . A A . 2 PHE HE2 1 1
9 1002 1 1 2 PHE HZ H 1.915 9.930 2.810 1.00 . A A . 2 PHE HZ 1 1
9 1003 1 1 2 PHE N N 1.721 3.535 0.107 1.00 . A A . 2 PHE N 1 1
9 1004 1 1 2 PHE O O 1.245 3.522 -2.555 1.00 . A A . 2 PHE O 1 1
9 1005 1 1 3 CYS C C 0.623 4.856 -4.763 1.00 . A A . 3 CYS C 1 1
9 1006 1 1 3 CYS CA C -0.492 5.280 -3.817 1.00 . A A . 3 CYS CA 1 1
9 1007 1 1 3 CYS CB C -1.104 6.605 -4.263 1.00 . A A . 3 CYS CB 1 1
9 1008 1 1 3 CYS H H -0.250 6.221 -1.929 1.00 . A A . 3 CYS H 1 1
9 1009 1 1 3 CYS HA H -1.267 4.514 -3.819 1.00 . A A . 3 CYS HA 1 1
9 1010 1 1 3 CYS HB2 H -0.308 7.346 -4.339 1.00 . A A . 3 CYS HB2 1 1
9 1011 1 1 3 CYS HB3 H -1.547 6.468 -5.249 1.00 . A A . 3 CYS HB3 1 1
9 1012 1 1 3 CYS N N 0.031 5.418 -2.473 1.00 . A A . 3 CYS N 1 1
9 1013 1 1 3 CYS O O 1.799 5.068 -4.474 1.00 . A A . 3 CYS O 1 1
9 1014 1 1 3 CYS SG S -2.376 7.241 -3.143 1.00 . A A . 3 CYS SG 1 1
9 1015 1 1 4 ASN C C 0.766 4.198 -8.273 1.00 . A A . 4 ASN C 1 1
9 1016 1 1 4 ASN CA C 1.221 3.806 -6.874 1.00 . A A . 4 ASN CA 1 1
9 1017 1 1 4 ASN CB C 1.389 2.293 -6.765 1.00 . A A . 4 ASN CB 1 1
9 1018 1 1 4 ASN CG C 2.861 1.909 -6.754 1.00 . A A . 4 ASN CG 1 1
9 1019 1 1 4 ASN H H -0.729 4.104 -6.085 1.00 . A A . 4 ASN H 1 1
9 1020 1 1 4 ASN HA H 2.179 4.283 -6.668 1.00 . A A . 4 ASN HA 1 1
9 1021 1 1 4 ASN HB2 H 0.921 1.947 -5.844 1.00 . A A . 4 ASN HB2 1 1
9 1022 1 1 4 ASN HB3 H 0.901 1.817 -7.616 1.00 . A A . 4 ASN HB3 1 1
9 1023 1 1 4 ASN HD21 H 2.452 0.198 -5.727 1.00 . A A . 4 ASN HD21 1 1
9 1024 1 1 4 ASN HD22 H 4.139 0.460 -6.112 1.00 . A A . 4 ASN HD22 1 1
9 1025 1 1 4 ASN N N 0.252 4.255 -5.895 1.00 . A A . 4 ASN N 1 1
9 1026 1 1 4 ASN ND2 N 3.176 0.762 -6.148 1.00 . A A . 4 ASN ND2 1 1
9 1027 1 1 4 ASN O O -0.285 4.814 -8.438 1.00 . A A . 4 ASN O 1 1
9 1028 1 1 4 ASN OD1 O 3.698 2.637 -7.283 1.00 . A A . 4 ASN OD1 1 1
9 1029 1 1 5 ALA C C -0.163 3.667 -10.985 1.00 . A A . 5 ALA C 1 1
9 1030 1 1 5 ALA CA C 1.241 4.154 -10.659 1.00 . A A . 5 ALA CA 1 1
9 1031 1 1 5 ALA CB C 2.267 3.502 -11.582 1.00 . A A . 5 ALA CB 1 1
9 1032 1 1 5 ALA H H 2.417 3.334 -9.091 1.00 . A A . 5 ALA H 1 1
9 1033 1 1 5 ALA HA H 1.281 5.235 -10.794 1.00 . A A . 5 ALA HA 1 1
9 1034 1 1 5 ALA HB1 H 2.128 3.871 -12.598 1.00 . A A . 5 ALA HB1 1 1
9 1035 1 1 5 ALA HB2 H 3.272 3.749 -11.239 1.00 . A A . 5 ALA HB2 1 1
9 1036 1 1 5 ALA HB3 H 2.134 2.420 -11.566 1.00 . A A . 5 ALA HB3 1 1
9 1037 1 1 5 ALA N N 1.563 3.839 -9.282 1.00 . A A . 5 ALA N 1 1
9 1038 1 1 5 ALA O O -0.774 4.125 -11.948 1.00 . A A . 5 ALA O 1 1
9 1039 1 1 6 PHE C C -2.184 0.934 -9.547 1.00 . A A . 6 PHE C 1 1
9 1040 1 1 6 PHE CA C -2.003 2.192 -10.385 1.00 . A A . 6 PHE CA 1 1
9 1041 1 1 6 PHE CB C -2.201 1.889 -11.867 1.00 . A A . 6 PHE CB 1 1
9 1042 1 1 6 PHE CD1 C -4.446 3.033 -11.954 1.00 . A A . 6 PHE CD1 1 1
9 1043 1 1 6 PHE CD2 C -2.869 3.421 -13.754 1.00 . A A . 6 PHE CD2 1 1
9 1044 1 1 6 PHE CE1 C -5.368 3.882 -12.579 1.00 . A A . 6 PHE CE1 1 1
9 1045 1 1 6 PHE CE2 C -3.790 4.270 -14.379 1.00 . A A . 6 PHE CE2 1 1
9 1046 1 1 6 PHE CG C -3.197 2.802 -12.542 1.00 . A A . 6 PHE CG 1 1
9 1047 1 1 6 PHE CZ C -5.040 4.500 -13.791 1.00 . A A . 6 PHE CZ 1 1
9 1048 1 1 6 PHE H H -0.132 2.392 -9.399 1.00 . A A . 6 PHE H 1 1
9 1049 1 1 6 PHE HA H -2.740 2.933 -10.074 1.00 . A A . 6 PHE HA 1 1
9 1050 1 1 6 PHE HB2 H -1.241 1.986 -12.374 1.00 . A A . 6 PHE HB2 1 1
9 1051 1 1 6 PHE HB3 H -2.548 0.861 -11.969 1.00 . A A . 6 PHE HB3 1 1
9 1052 1 1 6 PHE HD1 H -4.699 2.556 -11.019 1.00 . A A . 6 PHE HD1 1 1
9 1053 1 1 6 PHE HD2 H -1.904 3.244 -14.207 1.00 . A A . 6 PHE HD2 1 1
9 1054 1 1 6 PHE HE1 H -6.332 4.059 -12.125 1.00 . A A . 6 PHE HE1 1 1
9 1055 1 1 6 PHE HE2 H -3.537 4.748 -15.314 1.00 . A A . 6 PHE HE2 1 1
9 1056 1 1 6 PHE HZ H -5.751 5.155 -14.273 1.00 . A A . 6 PHE HZ 1 1
9 1057 1 1 6 PHE N N -0.676 2.735 -10.178 1.00 . A A . 6 PHE N 1 1
9 1058 1 1 6 PHE O O -3.280 0.384 -9.476 1.00 . A A . 6 PHE O 1 1
9 1059 1 1 7 THR C C -1.481 -0.328 -6.648 1.00 . A A . 7 THR C 1 1
9 1060 1 1 7 THR CA C -1.149 -0.709 -8.084 1.00 . A A . 7 THR CA 1 1
9 1061 1 1 7 THR CB C 0.194 -1.431 -8.155 1.00 . A A . 7 THR CB 1 1
9 1062 1 1 7 THR CG2 C 1.316 -0.406 -8.295 1.00 . A A . 7 THR CG2 1 1
9 1063 1 1 7 THR H H -0.222 0.968 -9.003 1.00 . A A . 7 THR H 1 1
9 1064 1 1 7 THR HA H -1.927 -1.372 -8.462 1.00 . A A . 7 THR HA 1 1
9 1065 1 1 7 THR HB H 0.202 -2.099 -9.016 1.00 . A A . 7 THR HB 1 1
9 1066 1 1 7 THR HG1 H 0.834 -1.626 -6.332 1.00 . A A . 7 THR HG1 1 1
9 1067 1 1 7 THR HG21 H 1.010 0.374 -8.992 1.00 . A A . 7 THR HG21 1 1
9 1068 1 1 7 THR HG22 H 1.527 0.037 -7.322 1.00 . A A . 7 THR HG22 1 1
9 1069 1 1 7 THR HG23 H 2.212 -0.899 -8.672 1.00 . A A . 7 THR HG23 1 1
9 1070 1 1 7 THR N N -1.102 0.479 -8.912 1.00 . A A . 7 THR N 1 1
9 1071 1 1 7 THR O O -2.569 -0.621 -6.158 1.00 . A A . 7 THR O 1 1
9 1072 1 1 7 THR OG1 O 0.387 -2.181 -6.976 1.00 . A A . 7 THR OG1 1 1
9 1073 1 1 8 GLY C C -2.139 1.300 -4.412 1.00 . A A . 8 GLY C 1 1
9 1074 1 1 8 GLY CA C -0.733 0.746 -4.598 1.00 . A A . 8 GLY CA 1 1
9 1075 1 1 8 GLY H H 0.344 0.547 -6.420 1.00 . A A . 8 GLY H 1 1
9 1076 1 1 8 GLY HA2 H -0.592 -0.110 -3.938 1.00 . A A . 8 GLY HA2 1 1
9 1077 1 1 8 GLY HA3 H -0.005 1.518 -4.348 1.00 . A A . 8 GLY HA3 1 1
9 1078 1 1 8 GLY N N -0.535 0.329 -5.972 1.00 . A A . 8 GLY N 1 1
9 1079 1 1 8 GLY O O -3.040 0.583 -3.982 1.00 . A A . 8 GLY O 1 1
9 1080 1 1 9 CYS C C -4.560 2.709 -5.679 1.00 . A A . 9 CYS C 1 1
9 1081 1 1 9 CYS CA C -3.613 3.226 -4.605 1.00 . A A . 9 CYS CA 1 1
9 1082 1 1 9 CYS CB C -3.440 4.738 -4.719 1.00 . A A . 9 CYS CB 1 1
9 1083 1 1 9 CYS H H -1.547 3.126 -5.086 1.00 . A A . 9 CYS H 1 1
9 1084 1 1 9 CYS HA H -4.029 2.991 -3.625 1.00 . A A . 9 CYS HA 1 1
9 1085 1 1 9 CYS HB2 H -2.425 4.946 -5.060 1.00 . A A . 9 CYS HB2 1 1
9 1086 1 1 9 CYS HB3 H -4.142 5.112 -5.465 1.00 . A A . 9 CYS HB3 1 1
9 1087 1 1 9 CYS N N -2.323 2.581 -4.737 1.00 . A A . 9 CYS N 1 1
9 1088 1 1 9 CYS O O -4.462 1.556 -6.092 1.00 . A A . 9 CYS O 1 1
9 1089 1 1 9 CYS SG S -3.718 5.630 -3.169 1.00 . A A . 9 CYS SG 1 1
10 1090 1 1 1 PRO C C 0.991 2.426 -0.033 1.00 . A A . 1 PRO C 1 1
10 1091 1 1 1 PRO CA C 1.496 1.182 0.682 1.00 . A A . 1 PRO CA 1 1
10 1092 1 1 1 PRO CB C 3.018 1.085 0.603 1.00 . A A . 1 PRO CB 1 1
10 1093 1 1 1 PRO CD C 2.080 -0.664 -0.719 1.00 . A A . 1 PRO CD 1 1
10 1094 1 1 1 PRO CG C 3.242 0.326 -0.704 1.00 . A A . 1 PRO CG 1 1
10 1095 1 1 1 PRO H2 H 0.000 0.000 0.000 1.00 . A A . 1 PRO H2 1 1
10 1096 1 1 1 PRO H3 H 1.352 0.000 -0.956 1.00 . A A . 1 PRO H3 1 1
10 1097 1 1 1 PRO HA H 1.170 1.194 1.722 1.00 . A A . 1 PRO HA 1 1
10 1098 1 1 1 PRO HB2 H 3.496 2.065 0.602 1.00 . A A . 1 PRO HB2 1 1
10 1099 1 1 1 PRO HB3 H 3.383 0.480 1.434 1.00 . A A . 1 PRO HB3 1 1
10 1100 1 1 1 PRO HD2 H 1.786 -0.902 -1.741 1.00 . A A . 1 PRO HD2 1 1
10 1101 1 1 1 PRO HD3 H 2.360 -1.571 -0.184 1.00 . A A . 1 PRO HD3 1 1
10 1102 1 1 1 PRO HG2 H 3.136 1.017 -1.540 1.00 . A A . 1 PRO HG2 1 1
10 1103 1 1 1 PRO HG3 H 4.211 -0.173 -0.734 1.00 . A A . 1 PRO HG3 1 1
10 1104 1 1 1 PRO N N 1.014 0.000 0.000 1.00 . A A . 1 PRO N 1 1
10 1105 1 1 1 PRO O O -0.040 2.386 -0.701 1.00 . A A . 1 PRO O 1 1
10 1106 1 1 2 PHE C C 0.861 4.520 -1.942 1.00 . A A . 2 PHE C 1 1
10 1107 1 1 2 PHE CA C 1.339 4.784 -0.521 1.00 . A A . 2 PHE CA 1 1
10 1108 1 1 2 PHE CB C 2.531 5.737 -0.518 1.00 . A A . 2 PHE CB 1 1
10 1109 1 1 2 PHE CD1 C 1.340 7.844 0.186 1.00 . A A . 2 PHE CD1 1 1
10 1110 1 1 2 PHE CD2 C 3.222 7.071 1.506 1.00 . A A . 2 PHE CD2 1 1
10 1111 1 1 2 PHE CE1 C 1.181 8.933 1.051 1.00 . A A . 2 PHE CE1 1 1
10 1112 1 1 2 PHE CE2 C 3.062 8.160 2.371 1.00 . A A . 2 PHE CE2 1 1
10 1113 1 1 2 PHE CG C 2.360 6.913 0.413 1.00 . A A . 2 PHE CG 1 1
10 1114 1 1 2 PHE CZ C 2.042 9.091 2.144 1.00 . A A . 2 PHE CZ 1 1
10 1115 1 1 2 PHE H H 2.559 3.517 0.671 1.00 . A A . 2 PHE H 1 1
10 1116 1 1 2 PHE HA H 0.525 5.235 0.048 1.00 . A A . 2 PHE HA 1 1
10 1117 1 1 2 PHE HB2 H 3.420 5.182 -0.218 1.00 . A A . 2 PHE HB2 1 1
10 1118 1 1 2 PHE HB3 H 2.679 6.113 -1.530 1.00 . A A . 2 PHE HB3 1 1
10 1119 1 1 2 PHE HD1 H 0.675 7.722 -0.656 1.00 . A A . 2 PHE HD1 1 1
10 1120 1 1 2 PHE HD2 H 4.008 6.352 1.682 1.00 . A A . 2 PHE HD2 1 1
10 1121 1 1 2 PHE HE1 H 0.393 9.652 0.876 1.00 . A A . 2 PHE HE1 1 1
10 1122 1 1 2 PHE HE2 H 3.726 8.282 3.214 1.00 . A A . 2 PHE HE2 1 1
10 1123 1 1 2 PHE HZ H 1.919 9.932 2.811 1.00 . A A . 2 PHE HZ 1 1
10 1124 1 1 2 PHE N N 1.719 3.536 0.110 1.00 . A A . 2 PHE N 1 1
10 1125 1 1 2 PHE O O 1.248 3.528 -2.555 1.00 . A A . 2 PHE O 1 1
10 1126 1 1 3 CYS C C 0.607 4.858 -4.756 1.00 . A A . 3 CYS C 1 1
10 1127 1 1 3 CYS CA C -0.508 5.275 -3.808 1.00 . A A . 3 CYS CA 1 1
10 1128 1 1 3 CYS CB C -1.127 6.598 -4.250 1.00 . A A . 3 CYS CB 1 1
10 1129 1 1 3 CYS H H -0.268 6.213 -1.917 1.00 . A A . 3 CYS H 1 1
10 1130 1 1 3 CYS HA H -1.279 4.505 -3.808 1.00 . A A . 3 CYS HA 1 1
10 1131 1 1 3 CYS HB2 H -0.334 7.341 -4.334 1.00 . A A . 3 CYS HB2 1 1
10 1132 1 1 3 CYS HB3 H -1.580 6.458 -5.231 1.00 . A A . 3 CYS HB3 1 1
10 1133 1 1 3 CYS N N 0.018 5.414 -2.464 1.00 . A A . 3 CYS N 1 1
10 1134 1 1 3 CYS O O 1.782 5.081 -4.473 1.00 . A A . 3 CYS O 1 1
10 1135 1 1 3 CYS SG S -2.391 7.232 -3.119 1.00 . A A . 3 CYS SG 1 1
10 1136 1 1 4 ASN C C 0.745 4.198 -8.264 1.00 . A A . 4 ASN C 1 1
10 1137 1 1 4 ASN CA C 1.205 3.807 -6.867 1.00 . A A . 4 ASN CA 1 1
10 1138 1 1 4 ASN CB C 1.380 2.294 -6.760 1.00 . A A . 4 ASN CB 1 1
10 1139 1 1 4 ASN CG C 2.854 1.917 -6.748 1.00 . A A . 4 ASN CG 1 1
10 1140 1 1 4 ASN H H -0.744 4.090 -6.071 1.00 . A A . 4 ASN H 1 1
10 1141 1 1 4 ASN HA H 2.162 4.288 -6.663 1.00 . A A . 4 ASN HA 1 1
10 1142 1 1 4 ASN HB2 H 0.912 1.945 -5.840 1.00 . A A . 4 ASN HB2 1 1
10 1143 1 1 4 ASN HB3 H 0.896 1.817 -7.612 1.00 . A A . 4 ASN HB3 1 1
10 1144 1 1 4 ASN HD21 H 2.451 0.200 -5.730 1.00 . A A . 4 ASN HD21 1 1
10 1145 1 1 4 ASN HD22 H 4.138 0.471 -6.109 1.00 . A A . 4 ASN HD22 1 1
10 1146 1 1 4 ASN N N 0.236 4.250 -5.885 1.00 . A A . 4 ASN N 1 1
10 1147 1 1 4 ASN ND2 N 3.174 0.769 -6.147 1.00 . A A . 4 ASN ND2 1 1
10 1148 1 1 4 ASN O O -0.315 4.798 -8.427 1.00 . A A . 4 ASN O 1 1
10 1149 1 1 4 ASN OD1 O 3.689 2.652 -7.271 1.00 . A A . 4 ASN OD1 1 1
10 1150 1 1 5 ALA C C -0.185 3.693 -10.970 1.00 . A A . 5 ALA C 1 1
10 1151 1 1 5 ALA CA C 1.223 4.173 -10.650 1.00 . A A . 5 ALA CA 1 1
10 1152 1 1 5 ALA CB C 2.242 3.516 -11.577 1.00 . A A . 5 ALA CB 1 1
10 1153 1 1 5 ALA H H 2.410 3.365 -9.086 1.00 . A A . 5 ALA H 1 1
10 1154 1 1 5 ALA HA H 1.268 5.254 -10.785 1.00 . A A . 5 ALA HA 1 1
10 1155 1 1 5 ALA HB1 H 3.222 3.518 -11.099 1.00 . A A . 5 ALA HB1 1 1
10 1156 1 1 5 ALA HB2 H 1.939 2.489 -11.780 1.00 . A A . 5 ALA HB2 1 1
10 1157 1 1 5 ALA HB3 H 2.293 4.072 -12.513 1.00 . A A . 5 ALA HB3 1 1
10 1158 1 1 5 ALA N N 1.549 3.857 -9.274 1.00 . A A . 5 ALA N 1 1
10 1159 1 1 5 ALA O O -0.801 4.160 -11.927 1.00 . A A . 5 ALA O 1 1
10 1160 1 1 6 PHE C C -2.206 0.958 -9.539 1.00 . A A . 6 PHE C 1 1
10 1161 1 1 6 PHE CA C -2.026 2.221 -10.369 1.00 . A A . 6 PHE CA 1 1
10 1162 1 1 6 PHE CB C -2.235 1.928 -11.852 1.00 . A A . 6 PHE CB 1 1
10 1163 1 1 6 PHE CD1 C -4.567 2.855 -12.080 1.00 . A A . 6 PHE CD1 1 1
10 1164 1 1 6 PHE CD2 C -2.834 3.683 -13.559 1.00 . A A . 6 PHE CD2 1 1
10 1165 1 1 6 PHE CE1 C -5.496 3.704 -12.694 1.00 . A A . 6 PHE CE1 1 1
10 1166 1 1 6 PHE CE2 C -3.763 4.532 -14.173 1.00 . A A . 6 PHE CE2 1 1
10 1167 1 1 6 PHE CG C -3.236 2.845 -12.513 1.00 . A A . 6 PHE CG 1 1
10 1168 1 1 6 PHE CZ C -5.094 4.542 -13.740 1.00 . A A . 6 PHE CZ 1 1
10 1169 1 1 6 PHE H H -0.148 2.407 -9.393 1.00 . A A . 6 PHE H 1 1
10 1170 1 1 6 PHE HA H -2.759 2.961 -10.049 1.00 . A A . 6 PHE HA 1 1
10 1171 1 1 6 PHE HB2 H -1.278 2.030 -12.365 1.00 . A A . 6 PHE HB2 1 1
10 1172 1 1 6 PHE HB3 H -2.581 0.900 -11.959 1.00 . A A . 6 PHE HB3 1 1
10 1173 1 1 6 PHE HD1 H -4.878 2.208 -11.273 1.00 . A A . 6 PHE HD1 1 1
10 1174 1 1 6 PHE HD2 H -1.807 3.675 -13.894 1.00 . A A . 6 PHE HD2 1 1
10 1175 1 1 6 PHE HE1 H -6.524 3.711 -12.360 1.00 . A A . 6 PHE HE1 1 1
10 1176 1 1 6 PHE HE2 H -3.452 5.178 -14.981 1.00 . A A . 6 PHE HE2 1 1
10 1177 1 1 6 PHE HZ H -5.811 5.197 -14.214 1.00 . A A . 6 PHE HZ 1 1
10 1178 1 1 6 PHE N N -0.695 2.757 -10.166 1.00 . A A . 6 PHE N 1 1
10 1179 1 1 6 PHE O O -3.303 0.408 -9.467 1.00 . A A . 6 PHE O 1 1
10 1180 1 1 7 THR C C -1.495 -0.323 -6.649 1.00 . A A . 7 THR C 1 1
10 1181 1 1 7 THR CA C -1.169 -0.695 -8.088 1.00 . A A . 7 THR CA 1 1
10 1182 1 1 7 THR CB C 0.173 -1.419 -8.167 1.00 . A A . 7 THR CB 1 1
10 1183 1 1 7 THR CG2 C 1.296 -0.395 -8.302 1.00 . A A . 7 THR CG2 1 1
10 1184 1 1 7 THR H H -0.243 0.986 -8.999 1.00 . A A . 7 THR H 1 1
10 1185 1 1 7 THR HA H -1.949 -1.356 -8.467 1.00 . A A . 7 THR HA 1 1
10 1186 1 1 7 THR HB H 0.178 -2.080 -9.034 1.00 . A A . 7 THR HB 1 1
10 1187 1 1 7 THR HG1 H 1.284 -2.091 -6.724 1.00 . A A . 7 THR HG1 1 1
10 1188 1 1 7 THR HG21 H 0.989 0.393 -8.990 1.00 . A A . 7 THR HG21 1 1
10 1189 1 1 7 THR HG22 H 1.511 0.039 -7.325 1.00 . A A . 7 THR HG22 1 1
10 1190 1 1 7 THR HG23 H 2.190 -0.885 -8.686 1.00 . A A . 7 THR HG23 1 1
10 1191 1 1 7 THR N N -1.122 0.498 -8.909 1.00 . A A . 7 THR N 1 1
10 1192 1 1 7 THR O O -2.581 -0.621 -6.156 1.00 . A A . 7 THR O 1 1
10 1193 1 1 7 THR OG1 O 0.367 -2.179 -6.996 1.00 . A A . 7 THR OG1 1 1
10 1194 1 1 8 GLY C C -2.148 1.290 -4.401 1.00 . A A . 8 GLY C 1 1
10 1195 1 1 8 GLY CA C -0.742 0.742 -4.596 1.00 . A A . 8 GLY CA 1 1
10 1196 1 1 8 GLY H H 0.328 0.555 -6.423 1.00 . A A . 8 GLY H 1 1
10 1197 1 1 8 GLY HA2 H -0.595 -0.117 -3.942 1.00 . A A . 8 GLY HA2 1 1
10 1198 1 1 8 GLY HA3 H -0.015 1.515 -4.345 1.00 . A A . 8 GLY HA3 1 1
10 1199 1 1 8 GLY N N -0.549 0.333 -5.973 1.00 . A A . 8 GLY N 1 1
10 1200 1 1 8 GLY O O -3.046 0.569 -3.972 1.00 . A A . 8 GLY O 1 1
10 1201 1 1 9 CYS C C -4.581 2.695 -5.646 1.00 . A A . 9 CYS C 1 1
10 1202 1 1 9 CYS CA C -3.629 3.214 -4.577 1.00 . A A . 9 CYS CA 1 1
10 1203 1 1 9 CYS CB C -3.461 4.727 -4.691 1.00 . A A . 9 CYS CB 1 1
10 1204 1 1 9 CYS H H -1.565 3.123 -5.067 1.00 . A A . 9 CYS H 1 1
10 1205 1 1 9 CYS HA H -4.037 2.977 -3.595 1.00 . A A . 9 CYS HA 1 1
10 1206 1 1 9 CYS HB2 H -2.450 4.938 -5.038 1.00 . A A . 9 CYS HB2 1 1
10 1207 1 1 9 CYS HB3 H -4.169 5.099 -5.432 1.00 . A A . 9 CYS HB3 1 1
10 1208 1 1 9 CYS N N -2.337 2.573 -4.718 1.00 . A A . 9 CYS N 1 1
10 1209 1 1 9 CYS O O -5.664 2.208 -5.331 1.00 . A A . 9 CYS O 1 1
10 1210 1 1 9 CYS SG S -3.733 5.616 -3.138 1.00 . A A . 9 CYS SG 1 1
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