NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
406897 |
1xy8   |
6425 | cing | 4-filtered-FRED | STAR | entry | full | 46 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1xy8
# This FRED archive file contains, for PDB entry <1xy8>:
#
# - 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_1xy8
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1xy8
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 1639.89
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 $SST1_selective_somatosatin_analog A . 1 1
stop_
save_
save_SST1_selective_somatosatin_analog
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "SST1 selective somatosatin analog"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code YCKFEXXTFXSC
_Entity.Number_of_monomers 12
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 TYR . 1 1
2 CYS . 1 1
3 LYS . 1 1
4 PHE . 1 1
5 GLU . 1 1
6 DTR $DTR 1 1
7 IAM $IAM 1 1
8 THR . 1 1
9 PHE . 1 1
10 . $. 1 1
11 SER . 1 1
12 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
TYR 1 1 1 1
CYS 2 2 1 1
LYS 3 3 1 1
PHE 4 4 1 1
GLU 5 5 1 1
DTR 6 6 1 1
IAM 7 7 1 1
THR 8 8 1 1
PHE 9 9 1 1
. 10 10 1 1
SER 11 11 1 1
CYS 12 12 1 1
stop_
save_
save_IAM
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID IAM
_Chem_comp.Type non-polymer
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_DTR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DTR
_Chem_comp.Type non-polymer
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
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 TYR HA . 1 TYR HA 1 1
1 1 2 1 1 1 TYR HB3 . 1 TYR HB3 1 1
2 1 1 1 1 1 TYR HA . 1 TYR HA 1 1
2 1 2 1 1 2 CYS H . 2 CYSS HN 1 1
3 1 1 1 1 1 TYR HB3 . 1 TYR HB3 1 1
3 1 2 1 1 2 CYS H . 2 CYSS HN 1 1
4 1 1 1 1 2 CYS H . 2 CYSS HN 1 1
4 1 2 1 1 2 CYS HB3 . 2 CYSS HB3 1 1
5 1 1 1 1 2 CYS H . 2 CYSS HN 1 1
5 1 2 1 1 3 LYS H . 3 LYS HN 1 1
6 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1
6 1 2 1 1 3 LYS H . 3 LYS HN 1 1
7 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1
7 1 2 1 1 12 CYS H . 12 CYSS HN 1 1
8 1 1 1 1 2 CYS HB3 . 2 CYSS HB3 1 1
8 1 2 1 1 3 LYS H . 3 LYS HN 1 1
9 1 1 1 1 2 CYS HB3 . 2 CYSS HB3 1 1
9 1 2 1 1 11 SER HA . 11 SER HA 1 1
10 1 1 1 1 3 LYS HA . 3 LYS HA 1 1
10 1 2 1 1 4 PHE H . 4 PHE HN 1 1
11 1 1 1 1 4 PHE H . 4 PHE HN 1 1
11 1 2 1 1 4 PHE HB3 . 4 PHE HB3 1 1
12 1 1 1 1 4 PHE H . 4 PHE HN 1 1
12 1 2 1 1 5 GLU H . 5 EBR HN 1 1
13 1 1 1 1 4 PHE HA . 4 PHE HA 1 1
13 1 2 1 1 9 PHE HA . 9 PHE HA 1 1
14 1 1 1 1 4 PHE HA . 4 PHE HA 1 1
14 1 2 1 1 11 SER H . 11 SER HN 1 1
15 1 1 1 1 4 PHE HA . 4 PHE HA 1 1
15 1 2 1 1 11 SER HA . 11 SER HA 1 1
16 1 1 1 1 4 PHE HB3 . 4 PHE HB3 1 1
16 1 2 1 1 5 GLU H . 5 EBR HN 1 1
17 1 1 1 1 5 GLU H . 5 EBR HN 1 1
17 1 2 1 1 5 GLU HB2 . 5 EBR HB2 1 1
18 1 1 1 1 5 GLU H . 5 EBR HN 1 1
18 1 2 1 1 5 GLU QB . 5 EBR QB 1 1
19 1 1 1 1 5 GLU H . 5 EBR HN 1 1
19 1 2 1 1 5 GLU HB3 . 5 EBR HB3 1 1
20 1 1 1 1 5 GLU H . 5 EBR HN 1 1
20 1 2 1 1 9 PHE HA . 9 PHE HA 1 1
21 1 1 1 1 5 GLU HA . 5 EBR HA 1 1
21 1 2 1 1 5 GLU HB2 . 5 EBR HB2 1 1
22 1 1 1 1 5 GLU HA . 5 EBR HA 1 1
22 1 2 1 1 5 GLU QB . 5 EBR QB 1 1
23 1 1 1 1 5 GLU HA . 5 EBR HA 1 1
23 1 2 1 1 5 GLU HB3 . 5 EBR HB3 1 1
24 1 1 1 1 5 GLU HA . 5 EBR HA 1 1
24 1 2 1 1 8 THR MG . 8 THR QG2 1 1
25 1 1 1 1 5 GLU QB . 5 EBR QB 1 1
25 1 2 1 1 8 THR MG . 8 THR QG2 1 1
26 1 1 1 1 5 GLU HB2 . 5 EBR HB2 1 1
26 1 2 1 1 6 DTR HD1 . 6 DTRP HD1 1 1
27 1 1 1 1 5 GLU HB2 . 5 EBR HB2 1 1
27 1 2 1 1 8 THR MG . 8 THR QG2 1 1
28 1 1 1 1 5 GLU HB3 . 5 EBR HB3 1 1
28 1 2 1 1 6 DTR HD1 . 6 DTRP HD1 1 1
29 1 1 1 1 5 GLU HB3 . 5 EBR HB3 1 1
29 1 2 1 1 8 THR MG . 8 THR QG2 1 1
30 1 1 1 1 5 GLU QG . 5 EBR QG 1 1
30 1 2 1 1 6 DTR HD1 . 6 DTRP HD1 1 1
31 1 1 1 1 5 GLU QG . 5 EBR QG 1 1
31 1 2 1 1 8 THR MG . 8 THR QG2 1 1
32 1 1 1 1 6 DTR HA . 6 DTRP HA 1 1
32 1 2 1 1 6 DTR HD1 . 6 DTRP HD1 1 1
33 1 1 1 1 6 DTR HA . 6 DTRP HA 1 1
33 1 2 1 1 6 DTR HE3 . 6 DTRP HE3 1 1
34 1 1 1 1 6 DTR HA . 6 DTRP HA 1 1
34 1 2 1 1 8 THR H . 8 THR HN 1 1
35 1 1 1 1 7 IAM HA . 7 IAMP HA 1 1
35 1 2 1 1 8 THR MG . 8 THR QG2 1 1
36 1 1 1 1 8 THR H . 8 THR HN 1 1
36 1 2 1 1 8 THR HB . 8 THR HB 1 1
37 1 1 1 1 8 THR H . 8 THR HN 1 1
37 1 2 1 1 8 THR MG . 8 THR QG2 1 1
38 1 1 1 1 8 THR H . 8 THR HN 1 1
38 1 2 1 1 9 PHE H . 9 PHE HN 1 1
39 1 1 1 1 8 THR HA . 8 THR HA 1 1
39 1 2 1 1 8 THR HB . 8 THR HB 1 1
40 1 1 1 1 8 THR HA . 8 THR HA 1 1
40 1 2 1 1 9 PHE H . 9 PHE HN 1 1
41 1 1 1 1 8 THR HB . 8 THR HB 1 1
41 1 2 1 1 9 PHE H . 9 PHE HN 1 1
42 1 1 1 1 8 THR MG . 8 THR QG2 1 1
42 1 2 1 1 9 PHE H . 9 PHE HN 1 1
43 1 1 1 1 9 PHE H . 9 PHE HN 1 1
43 1 2 1 1 9 PHE HB3 . 9 PHE HB3 1 1
44 1 1 1 1 9 PHE HA . 9 PHE HA 1 1
44 1 2 1 1 9 PHE HB3 . 9 PHE HB3 1 1
45 1 1 1 1 11 SER H . 11 SER HN 1 1
45 1 2 1 1 11 SER HA . 11 SER HA 1 1
46 1 1 1 1 12 CYS H . 12 CYSS HN 1 1
46 1 2 1 1 12 CYS HA . 12 CYSS HA 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 . . . . . . . 3.05 1 1
2 1 . . . . . . . 2.9 1 1
3 1 . . . . . . . 3.52 1 1
4 1 . . . . . . . 3.52 1 1
5 1 . . . . . . . 3.14 1 1
6 1 . . . . . . . 3.55 1 1
7 1 . . . . . . . 3.36 1 1
8 1 . . . . . . . 3.67 1 1
9 1 . . . . . . . 5.5 1 1
10 1 . . . . . . . 2.83 1 1
11 1 . . . . . . . 3.45 1 1
12 1 . . . . . . . 3.52 1 1
13 1 . . . . . . . 3.24 1 1
14 1 . . . . . . . 3.92 1 1
15 1 . . . . . . . 5.5 1 1
16 1 . . . . . . . 3.39 1 1
17 1 . . . . . . . 4.14 1 1
18 1 . . . . . . . 3.54 1 1
19 1 . . . . . . . 4.14 1 1
20 1 . . . . . . . 5.07 1 1
21 1 . . . . . . . 2.83 1 1
22 1 . . . . . . . 2.6 1 1
23 1 . . . . . . . 2.83 1 1
24 1 . . . . . . . 6.53 1 1
25 1 . . . . . . . 4.93 1 1
26 1 . . . . . . . 5.5 1 1
27 1 . . . . . . . 5.07 1 1
28 1 . . . . . . . 5.5 1 1
29 1 . . . . . . . 5.07 1 1
30 1 . . . . . . . 6.38 1 1
31 1 . . . . . . . 7.4 1 1
32 1 . . . . . . . 4.48 1 1
33 1 . . . . . . . 4.29 1 1
34 1 . . . . . . . 4.63 1 1
35 1 . . . . . . . 5.69 1 1
36 1 . . . . . . . 3.36 1 1
37 1 . . . . . . . 4.2 1 1
38 1 . . . . . . . 4.66 1 1
39 1 . . . . . . . 2.8 1 1
40 1 . . . . . . . 3.17 1 1
41 1 . . . . . . . 3.17 1 1
42 1 . . . . . . . 4.61 1 1
43 1 . . . . . . . 3.7 1 1
44 1 . . . . . . . 2.99 1 1
45 1 . . . . . . . 2.83 1 1
46 1 . . . . . . . 2.8 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 TYR C C 4.619 -7.081 -0.617 1.00 . A A . 1 TYR C 1 1
1 2 1 1 1 TYR CA C 6.039 -7.473 -1.030 1.00 . A A . 1 TYR CA 1 1
1 3 1 1 1 TYR CB C 6.960 -6.264 -0.860 1.00 . A A . 1 TYR CB 1 1
1 4 1 1 1 TYR CD1 C 9.350 -7.068 -0.891 1.00 . A A . 1 TYR CD1 1 1
1 5 1 1 1 TYR CD2 C 8.520 -5.905 -2.807 1.00 . A A . 1 TYR CD2 1 1
1 6 1 1 1 TYR CE1 C 10.631 -7.212 -1.534 1.00 . A A . 1 TYR CE1 1 1
1 7 1 1 1 TYR CE2 C 9.801 -6.048 -3.450 1.00 . A A . 1 TYR CE2 1 1
1 8 1 1 1 TYR CG C 8.321 -6.418 -1.542 1.00 . A A . 1 TYR CG 1 1
1 9 1 1 1 TYR CZ C 10.793 -6.695 -2.780 1.00 . A A . 1 TYR CZ 1 1
1 10 1 1 1 TYR H1 H 5.202 -7.948 -2.878 1.00 . A A . 1 TYR H1 1 1
1 11 1 1 1 TYR HA H 6.348 -8.346 -0.458 1.00 . A A . 1 TYR HA 1 1
1 12 1 1 1 TYR HB3 H 7.115 -6.087 0.205 1.00 . A A . 1 TYR HB3 1 1
1 13 1 1 1 TYR HD1 H 9.192 -7.472 0.108 1.00 . A A . 1 TYR HD1 1 1
1 14 1 1 1 TYR HD2 H 7.708 -5.390 -3.321 1.00 . A A . 1 TYR HD2 1 1
1 15 1 1 1 TYR HE1 H 11.451 -7.724 -1.032 1.00 . A A . 1 TYR HE1 1 1
1 16 1 1 1 TYR HE2 H 9.972 -5.649 -4.450 1.00 . A A . 1 TYR HE2 1 1
1 17 1 1 1 TYR HH H 12.573 -6.034 -3.194 1.00 . A A . 1 TYR HH 1 1
1 18 1 1 1 TYR N N 6.092 -7.819 -2.440 1.00 . A A . 1 TYR N 1 1
1 19 1 1 1 TYR O O 3.704 -7.092 -1.437 1.00 . A A . 1 TYR O 1 1
1 20 1 1 1 TYR OH O 12.002 -6.832 -3.387 1.00 . A A . 1 TYR OH 1 1
1 21 1 1 2 CYS C C 3.079 -4.822 1.102 1.00 . A A . 2 CYS C 1 1
1 22 1 1 2 CYS CA C 3.190 -6.346 1.191 1.00 . A A . 2 CYS CA 1 1
1 23 1 1 2 CYS CB C 2.991 -6.850 2.622 1.00 . A A . 2 CYS CB 1 1
1 24 1 1 2 CYS H H 5.232 -6.735 1.318 1.00 . A A . 2 CYS H 1 1
1 25 1 1 2 CYS HA H 2.434 -6.825 0.569 1.00 . A A . 2 CYS HA 1 1
1 26 1 1 2 CYS HB3 H 2.362 -6.140 3.158 1.00 . A A . 2 CYS HB3 1 1
1 27 1 1 2 CYS N N 4.482 -6.742 0.658 1.00 . A A . 2 CYS N 1 1
1 28 1 1 2 CYS O O 2.675 -4.286 0.071 1.00 . A A . 2 CYS O 1 1
1 29 1 1 2 CYS SG S 2.236 -8.513 2.752 1.00 . A A . 2 CYS SG 1 1
1 30 1 1 3 LYS C C 1.938 -2.260 2.111 1.00 . A A . 3 LYS C 1 1
1 31 1 1 3 LYS CA C 3.392 -2.718 2.253 1.00 . A A . 3 LYS CA 1 1
1 32 1 1 3 LYS CB C 4.335 -2.106 1.218 1.00 . A A . 3 LYS CB 1 1
1 33 1 1 3 LYS CD C 6.726 -1.505 0.685 1.00 . A A . 3 LYS CD 1 1
1 34 1 1 3 LYS CE C 8.170 -1.972 0.886 1.00 . A A . 3 LYS CE 1 1
1 35 1 1 3 LYS CG C 5.789 -2.175 1.691 1.00 . A A . 3 LYS CG 1 1
1 36 1 1 3 LYS H H 3.771 -4.615 3.030 1.00 . A A . 3 LYS H 1 1
1 37 1 1 3 LYS HA H 3.752 -2.418 3.237 1.00 . A A . 3 LYS HA 1 1
1 38 1 1 3 LYS HB3 H 4.058 -1.068 1.036 1.00 . A A . 3 LYS HB3 1 1
1 39 1 1 3 LYS HD3 H 6.671 -0.423 0.795 1.00 . A A . 3 LYS HD3 1 1
1 40 1 1 3 LYS HE3 H 8.362 -2.853 0.273 1.00 . A A . 3 LYS HE3 1 1
1 41 1 1 3 LYS HG3 H 6.081 -3.215 1.831 1.00 . A A . 3 LYS HG3 1 1
1 42 1 1 3 LYS HZ1 H 8.837 0.002 0.913 1.00 . A A . 3 LYS HZ1 1 1
1 43 1 1 3 LYS HZ2 H 10.053 -1.081 0.868 1.00 . A A . 3 LYS HZ2 1 1
1 44 1 1 3 LYS N N 3.444 -4.169 2.197 1.00 . A A . 3 LYS N 1 1
1 45 1 1 3 LYS NZ N 9.118 -0.894 0.526 1.00 . A A . 3 LYS NZ 1 1
1 46 1 1 3 LYS O O 1.142 -2.910 1.435 1.00 . A A . 3 LYS O 1 1
1 47 1 1 4 PHE C C -0.004 0.001 1.328 1.00 . A A . 4 PHE C 1 1
1 48 1 1 4 PHE CA C 0.296 -0.589 2.707 1.00 . A A . 4 PHE CA 1 1
1 49 1 1 4 PHE CB C 0.235 0.528 3.751 1.00 . A A . 4 PHE CB 1 1
1 50 1 1 4 PHE CD1 C -0.620 -1.035 5.511 1.00 . A A . 4 PHE CD1 1 1
1 51 1 1 4 PHE CD2 C 0.898 0.644 6.163 1.00 . A A . 4 PHE CD2 1 1
1 52 1 1 4 PHE CE1 C -0.682 -1.500 6.852 1.00 . A A . 4 PHE CE1 1 1
1 53 1 1 4 PHE CE2 C 0.836 0.179 7.502 1.00 . A A . 4 PHE CE2 1 1
1 54 1 1 4 PHE CG C 0.169 0.027 5.196 1.00 . A A . 4 PHE CG 1 1
1 55 1 1 4 PHE CZ C 0.048 -0.883 7.819 1.00 . A A . 4 PHE CZ 1 1
1 56 1 1 4 PHE H H 2.292 -0.619 3.302 1.00 . A A . 4 PHE H 1 1
1 57 1 1 4 PHE HA H -0.398 -1.404 2.910 1.00 . A A . 4 PHE HA 1 1
1 58 1 1 4 PHE HB3 H -0.638 1.151 3.553 1.00 . A A . 4 PHE HB3 1 1
1 59 1 1 4 PHE HD1 H -1.205 -1.529 4.735 1.00 . A A . 4 PHE HD1 1 1
1 60 1 1 4 PHE HD2 H 1.530 1.496 5.909 1.00 . A A . 4 PHE HD2 1 1
1 61 1 1 4 PHE HE1 H -1.315 -2.350 7.105 1.00 . A A . 4 PHE HE1 1 1
1 62 1 1 4 PHE HE2 H 1.421 0.673 8.280 1.00 . A A . 4 PHE HE2 1 1
1 63 1 1 4 PHE HZ H 0.001 -1.239 8.848 1.00 . A A . 4 PHE HZ 1 1
1 64 1 1 4 PHE N N 1.638 -1.142 2.755 1.00 . A A . 4 PHE N 1 1
1 65 1 1 4 PHE O O -0.660 -0.636 0.505 1.00 . A A . 4 PHE O 1 1
1 66 1 1 5 GLU C C 0.555 3.395 0.006 1.00 . A A . 5 GLU C 1 1
1 67 1 1 5 GLU CA C 0.278 1.897 -0.146 1.00 . A A . 5 GLU CA 1 1
1 68 1 1 5 GLU CB C -1.136 1.654 -0.676 1.00 . A A . 5 GLU CB 1 1
1 69 1 1 5 GLU CD C -2.078 1.204 -2.971 1.00 . A A . 5 GLU CD 1 1
1 70 1 1 5 GLU CG C -1.116 0.717 -1.885 1.00 . A A . 5 GLU CG 1 1
1 71 1 1 5 GLU H H 1.017 1.726 1.793 1.00 . A A . 5 GLU H 1 1
1 72 1 1 5 GLU HA H 0.998 1.456 -0.837 1.00 . A A . 5 GLU HA 1 1
1 73 1 1 5 GLU HB2 H -1.754 1.222 0.113 1.00 . A A . 5 GLU HB2 1 1
1 74 1 1 5 GLU HB3 H -1.593 2.604 -0.954 1.00 . A A . 5 GLU HB3 1 1
1 75 1 1 5 GLU HG2 H -0.105 0.662 -2.289 1.00 . A A . 5 GLU HG2 1 1
1 76 1 1 5 GLU HG3 H -1.392 -0.291 -1.574 1.00 . A A . 5 GLU HG3 1 1
1 77 1 1 5 GLU N N 0.487 1.214 1.118 1.00 . A A . 5 GLU N 1 1
1 78 1 1 5 GLU O O 0.703 3.891 1.122 1.00 . A A . 5 GLU O 1 1
1 79 1 1 5 GLU OE1 O -2.305 2.415 -3.103 1.00 . A A . 5 GLU OE1 1 1
1 80 1 1 6 DTR C C -0.096 6.161 -0.161 1.00 . A A . 6 DTR C 1 1
1 81 1 1 6 DTR CA C 0.879 5.501 -1.137 1.00 . A A . 6 DTR CA 1 1
1 82 1 1 6 DTR CB C 2.318 5.719 -0.666 1.00 . A A . 6 DTR CB 1 1
1 83 1 1 6 DTR CD1 C 3.651 3.676 -1.510 1.00 . A A . 6 DTR CD1 1 1
1 84 1 1 6 DTR CD2 C 4.263 5.579 -2.468 1.00 . A A . 6 DTR CD2 1 1
1 85 1 1 6 DTR CE2 C 5.045 4.575 -3.004 1.00 . A A . 6 DTR CE2 1 1
1 86 1 1 6 DTR CE3 C 4.409 6.916 -2.873 1.00 . A A . 6 DTR CE3 1 1
1 87 1 1 6 DTR CG C 3.366 4.986 -1.505 1.00 . A A . 6 DTR CG 1 1
1 88 1 1 6 DTR CH2 C 6.190 6.132 -4.394 1.00 . A A . 6 DTR CH2 1 1
1 89 1 1 6 DTR CZ2 C 6.027 4.806 -3.975 1.00 . A A . 6 DTR CZ2 1 1
1 90 1 1 6 DTR CZ3 C 5.395 7.130 -3.845 1.00 . A A . 6 DTR CZ3 1 1
1 91 1 1 6 DTR H H 0.501 3.659 -2.034 1.00 . A A . 6 DTR H 1 1
1 92 1 1 6 DTR HA H 0.811 5.906 -2.147 1.00 . A A . 6 DTR HA 1 1
1 93 1 1 6 DTR HB2 H 2.537 6.787 -0.680 1.00 . A A . 6 DTR HB2 1 1
1 94 1 1 6 DTR HB3 H 2.403 5.391 0.371 1.00 . A A . 6 DTR HB3 1 1
1 95 1 1 6 DTR HD1 H 3.147 2.937 -0.889 1.00 . A A . 6 DTR HD1 1 1
1 96 1 1 6 DTR HE1 H 5.080 2.396 -2.602 1.00 . A A . 6 DTR HE1 1 1
1 97 1 1 6 DTR HE3 H 3.803 7.727 -2.466 1.00 . A A . 6 DTR HE3 1 1
1 98 1 1 6 DTR HH2 H 6.936 6.380 -5.146 1.00 . A A . 6 DTR HH2 1 1
1 99 1 1 6 DTR HZ2 H 6.632 3.996 -4.383 1.00 . A A . 6 DTR HZ2 1 1
1 100 1 1 6 DTR HZ3 H 5.549 8.151 -4.194 1.00 . A A . 6 DTR HZ3 1 1
1 101 1 1 6 DTR N N 0.621 4.071 -1.130 1.00 . A A . 6 DTR N 1 1
1 102 1 1 6 DTR NE1 N 4.661 3.383 -2.404 1.00 . A A . 6 DTR NE1 1 1
1 103 1 1 6 DTR O O 0.319 6.863 0.759 1.00 . A A . 6 DTR O 1 1
1 104 1 1 7 IAM C C -3.279 5.372 1.064 1.00 . A A . 7 IAM C 1 1
1 105 1 1 7 IAM CA C -2.415 6.477 0.450 1.00 . A A . 7 IAM CA 1 1
1 106 1 1 7 IAM CB C -3.293 7.357 -0.440 1.00 . A A . 7 IAM CB 1 1
1 107 1 1 7 IAM CD1 C -4.340 5.859 -2.156 1.00 . A A . 7 IAM CD1 1 1
1 108 1 1 7 IAM CD2 C -2.667 7.360 -2.865 1.00 . A A . 7 IAM CD2 1 1
1 109 1 1 7 IAM CE1 C -4.474 5.382 -3.485 1.00 . A A . 7 IAM CE1 1 1
1 110 1 1 7 IAM CE2 C -2.803 6.882 -4.196 1.00 . A A . 7 IAM CE2 1 1
1 111 1 1 7 IAM CG C -3.439 6.839 -1.873 1.00 . A A . 7 IAM CG 1 1
1 112 1 1 7 IAM CI C -1.688 4.027 -6.115 1.00 . A A . 7 IAM CI 1 1
1 113 1 1 7 IAM CK1 C -1.007 3.429 -7.360 1.00 . A A . 7 IAM CK1 1 1
1 114 1 1 7 IAM CK2 C -2.558 2.953 -5.440 1.00 . A A . 7 IAM CK2 1 1
1 115 1 1 7 IAM CT C -3.852 5.383 -5.920 1.00 . A A . 7 IAM CT 1 1
1 116 1 1 7 IAM CZ C -3.703 5.902 -4.477 1.00 . A A . 7 IAM CZ 1 1
1 117 1 1 7 IAM H H -1.707 5.341 -1.147 1.00 . A A . 7 IAM H 1 1
1 118 1 1 7 IAM HA H -1.919 7.030 1.247 1.00 . A A . 7 IAM HA 1 1
1 119 1 1 7 IAM HB H -4.282 7.437 0.006 1.00 . A A . 7 IAM HB 1 1
1 120 1 1 7 IAM HB1 H -2.872 8.360 -0.469 1.00 . A A . 7 IAM HB1 1 1
1 121 1 1 7 IAM HD1 H -4.955 5.441 -1.360 1.00 . A A . 7 IAM HD1 1 1
1 122 1 1 7 IAM HD2 H -1.947 8.145 -2.640 1.00 . A A . 7 IAM HD2 1 1
1 123 1 1 7 IAM HE1 H -5.197 4.598 -3.712 1.00 . A A . 7 IAM HE1 1 1
1 124 1 1 7 IAM HE2 H -2.186 7.300 -4.991 1.00 . A A . 7 IAM HE2 1 1
1 125 1 1 7 IAM HH H -2.149 5.865 -7.201 1.00 . A A . 7 IAM HH 1 1
1 126 1 1 7 IAM HI H -0.939 4.342 -5.417 1.00 . A A . 7 IAM HI 1 1
1 127 1 1 7 IAM HK11 H -1.756 3.093 -8.048 1.00 . A A . 7 IAM HK11 1 1
1 128 1 1 7 IAM HK12 H -0.402 4.177 -7.829 1.00 . A A . 7 IAM HK12 1 1
1 129 1 1 7 IAM HK13 H -0.394 2.602 -7.070 1.00 . A A . 7 IAM HK13 1 1
1 130 1 1 7 IAM HK21 H -3.238 2.541 -6.157 1.00 . A A . 7 IAM HK21 1 1
1 131 1 1 7 IAM HK22 H -1.934 2.175 -5.055 1.00 . A A . 7 IAM HK22 1 1
1 132 1 1 7 IAM HK23 H -3.113 3.394 -4.637 1.00 . A A . 7 IAM HK23 1 1
1 133 1 1 7 IAM HT1 H -4.400 6.098 -6.500 1.00 . A A . 7 IAM HT1 1 1
1 134 1 1 7 IAM HT2 H -4.376 4.449 -5.912 1.00 . A A . 7 IAM HT2 1 1
1 135 1 1 7 IAM N N -1.377 5.914 -0.396 1.00 . A A . 7 IAM N 1 1
1 136 1 1 7 IAM NH N -2.510 5.191 -6.510 1.00 . A A . 7 IAM NH 1 1
1 137 1 1 7 IAM O O -3.680 5.464 2.223 1.00 . A A . 7 IAM O 1 1
1 138 1 1 8 THR C C -3.553 2.350 1.670 1.00 . A A . 8 THR C 1 1
1 139 1 1 8 THR CA C -4.352 3.233 0.708 1.00 . A A . 8 THR CA 1 1
1 140 1 1 8 THR CB C -4.852 2.486 -0.529 1.00 . A A . 8 THR CB 1 1
1 141 1 1 8 THR CG2 C -6.063 3.162 -1.172 1.00 . A A . 8 THR CG2 1 1
1 142 1 1 8 THR H H -3.214 4.286 -0.683 1.00 . A A . 8 THR H 1 1
1 143 1 1 8 THR HA H -5.202 3.625 1.266 1.00 . A A . 8 THR HA 1 1
1 144 1 1 8 THR HB H -5.070 1.443 -0.292 1.00 . A A . 8 THR HB 1 1
1 145 1 1 8 THR HG1 H -3.330 1.791 -1.628 1.00 . A A . 8 THR HG1 1 1
1 146 1 1 8 THR HG21 H -6.283 4.091 -0.644 1.00 . A A . 8 THR HG21 1 1
1 147 1 1 8 THR HG22 H -5.844 3.383 -2.217 1.00 . A A . 8 THR HG22 1 1
1 148 1 1 8 THR HG23 H -6.925 2.500 -1.113 1.00 . A A . 8 THR HG23 1 1
1 149 1 1 8 THR N N -3.542 4.354 0.260 1.00 . A A . 8 THR N 1 1
1 150 1 1 8 THR O O -2.444 2.703 2.066 1.00 . A A . 8 THR O 1 1
1 151 1 1 8 THR OG1 O -3.809 2.658 -1.484 1.00 . A A . 8 THR OG1 1 1
1 152 1 1 9 PHE C C -3.737 -1.161 2.477 1.00 . A A . 9 PHE C 1 1
1 153 1 1 9 PHE CA C -3.509 0.284 2.927 1.00 . A A . 9 PHE CA 1 1
1 154 1 1 9 PHE CB C -4.148 0.485 4.301 1.00 . A A . 9 PHE CB 1 1
1 155 1 1 9 PHE CD1 C -2.414 2.061 5.187 1.00 . A A . 9 PHE CD1 1 1
1 156 1 1 9 PHE CD2 C -3.050 0.240 6.538 1.00 . A A . 9 PHE CD2 1 1
1 157 1 1 9 PHE CE1 C -1.505 2.489 6.190 1.00 . A A . 9 PHE CE1 1 1
1 158 1 1 9 PHE CE2 C -2.139 0.667 7.542 1.00 . A A . 9 PHE CE2 1 1
1 159 1 1 9 PHE CG C -3.167 0.947 5.382 1.00 . A A . 9 PHE CG 1 1
1 160 1 1 9 PHE CZ C -1.387 1.783 7.346 1.00 . A A . 9 PHE CZ 1 1
1 161 1 1 9 PHE H H -5.053 0.940 1.692 1.00 . A A . 9 PHE H 1 1
1 162 1 1 9 PHE HA H -2.441 0.501 2.913 1.00 . A A . 9 PHE HA 1 1
1 163 1 1 9 PHE HB3 H -4.608 -0.452 4.618 1.00 . A A . 9 PHE HB3 1 1
1 164 1 1 9 PHE HD1 H -2.510 2.628 4.259 1.00 . A A . 9 PHE HD1 1 1
1 165 1 1 9 PHE HD2 H -3.652 -0.655 6.696 1.00 . A A . 9 PHE HD2 1 1
1 166 1 1 9 PHE HE1 H -0.902 3.383 6.033 1.00 . A A . 9 PHE HE1 1 1
1 167 1 1 9 PHE HE2 H -2.044 0.101 8.468 1.00 . A A . 9 PHE HE2 1 1
1 168 1 1 9 PHE HZ H -0.688 2.109 8.116 1.00 . A A . 9 PHE HZ 1 1
1 169 1 1 9 PHE N N -4.149 1.220 2.018 1.00 . A A . 9 PHE N 1 1
1 170 1 1 9 PHE O O -3.817 -2.067 3.304 1.00 . A A . 9 PHE O 1 1
1 171 1 1 10 . C C -2.810 -3.508 0.819 1.00 . A A . 10 HHK C 1 1
1 172 1 1 10 . CA C -4.056 -2.649 0.597 1.00 . A A . 10 HHK CA 1 1
1 173 1 1 10 . CB C -4.472 -2.536 -0.871 1.00 . A A . 10 HHK CB 1 1
1 174 1 1 10 . CD C -6.472 -0.999 -0.863 1.00 . A A . 10 HHK CD 1 1
1 175 1 1 10 . CE C -6.573 -0.321 -2.230 1.00 . A A . 10 HHK CE 1 1
1 176 1 1 10 . CG C -5.993 -2.447 -1.005 1.00 . A A . 10 HHK CG 1 1
1 177 1 1 10 . CT C -4.667 -0.240 -3.868 1.00 . A A . 10 HHK CT 1 1
1 178 1 1 10 . CZ C -5.238 0.364 -2.573 1.00 . A A . 10 HHK CZ 1 1
1 179 1 1 10 . H H -3.772 -0.588 0.500 1.00 . A A . 10 HHK H 1 1
1 180 1 1 10 . HA H -4.888 -3.102 1.134 1.00 . A A . 10 HHK HA 1 1
1 181 1 1 10 . HB2 H -4.011 -1.654 -1.318 1.00 . A A . 10 HHK HB2 1 1
1 182 1 1 10 . HB3 H -4.106 -3.401 -1.425 1.00 . A A . 10 HHK HB3 1 1
1 183 1 1 10 . HD2 H -7.445 -0.981 -0.372 1.00 . A A . 10 HHK HD2 1 1
1 184 1 1 10 . HD3 H -5.782 -0.446 -0.227 1.00 . A A . 10 HHK HD3 1 1
1 185 1 1 10 . HE2 H -6.824 -1.058 -2.994 1.00 . A A . 10 HHK HE2 1 1
1 186 1 1 10 . HE3 H -7.380 0.413 -2.220 1.00 . A A . 10 HHK HE3 1 1
1 187 1 1 10 . HG2 H -6.300 -2.843 -1.972 1.00 . A A . 10 HHK HG2 1 1
1 188 1 1 10 . HG3 H -6.466 -3.065 -0.242 1.00 . A A . 10 HHK HG3 1 1
1 189 1 1 10 . HH2 H -2.974 -0.455 -2.735 1.00 . A A . 10 HHK HH2 1 1
1 190 1 1 10 . HT1 H -4.850 0.429 -4.685 1.00 . A A . 10 HHK HT1 1 1
1 191 1 1 10 . HT2 H -5.144 -1.177 -4.063 1.00 . A A . 10 HHK HT2 1 1
1 192 1 1 10 . HZ2 H -5.400 1.412 -2.708 1.00 . A A . 10 HHK HZ2 1 1
1 193 1 1 10 . HZ3 H -4.543 0.212 -1.772 1.00 . A A . 10 HHK HZ3 1 1
1 194 1 1 10 . N N -3.837 -1.330 1.166 1.00 . A A . 10 HHK N 1 1
1 195 1 1 10 . NH N -3.211 -0.449 -3.716 1.00 . A A . 10 HHK NH 1 1
1 196 1 1 10 . O O -2.097 -3.830 -0.132 1.00 . A A . 10 HHK O 1 1
1 197 1 1 11 SER C C -1.565 -6.058 1.806 1.00 . A A . 11 SER C 1 1
1 198 1 1 11 SER CA C -1.437 -4.671 2.435 1.00 . A A . 11 SER CA 1 1
1 199 1 1 11 SER CB C -1.296 -4.786 3.954 1.00 . A A . 11 SER CB 1 1
1 200 1 1 11 SER H H -3.169 -3.587 2.843 1.00 . A A . 11 SER H 1 1
1 201 1 1 11 SER HA H -0.572 -4.145 2.030 1.00 . A A . 11 SER HA 1 1
1 202 1 1 11 SER HB3 H -0.941 -3.838 4.359 1.00 . A A . 11 SER HB3 1 1
1 203 1 1 11 SER HG H -2.355 -5.485 5.502 1.00 . A A . 11 SER HG 1 1
1 204 1 1 11 SER N N -2.584 -3.854 2.077 1.00 . A A . 11 SER N 1 1
1 205 1 1 11 SER O O -2.268 -6.921 2.332 1.00 . A A . 11 SER O 1 1
1 206 1 1 11 SER OG O -2.526 -5.138 4.579 1.00 . A A . 11 SER OG 1 1
1 207 1 1 12 CYS C C -2.346 -8.006 -0.043 1.00 . A A . 12 CYS C 1 1
1 208 1 1 12 CYS CA C -0.902 -7.504 -0.016 1.00 . A A . 12 CYS CA 1 1
1 209 1 1 12 CYS CB C 0.046 -8.524 0.618 1.00 . A A . 12 CYS CB 1 1
1 210 1 1 12 CYS H H -0.304 -5.529 0.268 1.00 . A A . 12 CYS H 1 1
1 211 1 1 12 CYS HA H -0.541 -7.309 -1.027 1.00 . A A . 12 CYS HA 1 1
1 212 1 1 12 CYS HB3 H 1.019 -8.446 0.134 1.00 . A A . 12 CYS HB3 1 1
1 213 1 1 12 CYS N N -0.874 -6.234 0.689 1.00 . A A . 12 CYS N 1 1
1 214 1 1 12 CYS O O -2.588 -9.205 -0.182 1.00 . A A . 12 CYS O 1 1
1 215 1 1 12 CYS SG S 0.273 -8.341 2.425 1.00 . A A . 12 CYS SG 1 1
2 216 1 1 1 TYR C C 4.671 -7.395 -0.071 1.00 . A A . 1 TYR C 1 1
2 217 1 1 1 TYR CA C 6.074 -8.006 -0.063 1.00 . A A . 1 TYR CA 1 1
2 218 1 1 1 TYR CB C 7.044 -7.019 0.589 1.00 . A A . 1 TYR CB 1 1
2 219 1 1 1 TYR CD1 C 9.143 -8.310 1.123 1.00 . A A . 1 TYR CD1 1 1
2 220 1 1 1 TYR CD2 C 9.227 -6.687 -0.629 1.00 . A A . 1 TYR CD2 1 1
2 221 1 1 1 TYR CE1 C 10.531 -8.622 0.901 1.00 . A A . 1 TYR CE1 1 1
2 222 1 1 1 TYR CE2 C 10.616 -6.998 -0.851 1.00 . A A . 1 TYR CE2 1 1
2 223 1 1 1 TYR CG C 8.520 -7.350 0.353 1.00 . A A . 1 TYR CG 1 1
2 224 1 1 1 TYR CZ C 11.200 -7.951 -0.075 1.00 . A A . 1 TYR CZ 1 1
2 225 1 1 1 TYR H1 H 6.447 -7.430 -2.029 1.00 . A A . 1 TYR H1 1 1
2 226 1 1 1 TYR HA H 6.035 -8.976 0.433 1.00 . A A . 1 TYR HA 1 1
2 227 1 1 1 TYR HB3 H 6.854 -6.993 1.661 1.00 . A A . 1 TYR HB3 1 1
2 228 1 1 1 TYR HD1 H 8.583 -8.834 1.899 1.00 . A A . 1 TYR HD1 1 1
2 229 1 1 1 TYR HD2 H 8.735 -5.928 -1.238 1.00 . A A . 1 TYR HD2 1 1
2 230 1 1 1 TYR HE1 H 11.035 -9.379 1.502 1.00 . A A . 1 TYR HE1 1 1
2 231 1 1 1 TYR HE2 H 11.186 -6.483 -1.625 1.00 . A A . 1 TYR HE2 1 1
2 232 1 1 1 TYR HH H 12.613 -8.765 -1.131 1.00 . A A . 1 TYR HH 1 1
2 233 1 1 1 TYR N N 6.559 -8.212 -1.417 1.00 . A A . 1 TYR N 1 1
2 234 1 1 1 TYR O O 4.047 -7.276 -1.124 1.00 . A A . 1 TYR O 1 1
2 235 1 1 1 TYR OH O 12.510 -8.245 -0.284 1.00 . A A . 1 TYR OH 1 1
2 236 1 1 2 CYS C C 2.952 -5.003 0.696 1.00 . A A . 2 CYS C 1 1
2 237 1 1 2 CYS CA C 2.900 -6.424 1.260 1.00 . A A . 2 CYS CA 1 1
2 238 1 1 2 CYS CB C 2.423 -6.445 2.713 1.00 . A A . 2 CYS CB 1 1
2 239 1 1 2 CYS H H 4.730 -7.121 1.969 1.00 . A A . 2 CYS H 1 1
2 240 1 1 2 CYS HA H 2.211 -7.043 0.684 1.00 . A A . 2 CYS HA 1 1
2 241 1 1 2 CYS HB3 H 1.972 -5.481 2.947 1.00 . A A . 2 CYS HB3 1 1
2 242 1 1 2 CYS N N 4.216 -7.021 1.117 1.00 . A A . 2 CYS N 1 1
2 243 1 1 2 CYS O O 2.614 -4.779 -0.465 1.00 . A A . 2 CYS O 1 1
2 244 1 1 2 CYS SG S 1.223 -7.768 3.110 1.00 . A A . 2 CYS SG 1 1
2 245 1 1 3 LYS C C 2.077 -2.105 0.978 1.00 . A A . 3 LYS C 1 1
2 246 1 1 3 LYS CA C 3.481 -2.686 1.146 1.00 . A A . 3 LYS CA 1 1
2 247 1 1 3 LYS CB C 4.358 -2.548 -0.100 1.00 . A A . 3 LYS CB 1 1
2 248 1 1 3 LYS CD C 5.847 -0.570 0.371 1.00 . A A . 3 LYS CD 1 1
2 249 1 1 3 LYS CE C 6.789 -0.141 1.499 1.00 . A A . 3 LYS CE 1 1
2 250 1 1 3 LYS CG C 5.770 -2.093 0.270 1.00 . A A . 3 LYS CG 1 1
2 251 1 1 3 LYS H H 3.653 -4.271 2.488 1.00 . A A . 3 LYS H 1 1
2 252 1 1 3 LYS HA H 3.983 -2.152 1.954 1.00 . A A . 3 LYS HA 1 1
2 253 1 1 3 LYS HB3 H 3.908 -1.831 -0.787 1.00 . A A . 3 LYS HB3 1 1
2 254 1 1 3 LYS HD3 H 4.853 -0.162 0.550 1.00 . A A . 3 LYS HD3 1 1
2 255 1 1 3 LYS HE3 H 6.935 0.938 1.468 1.00 . A A . 3 LYS HE3 1 1
2 256 1 1 3 LYS HG3 H 6.478 -2.448 -0.479 1.00 . A A . 3 LYS HG3 1 1
2 257 1 1 3 LYS HZ1 H 6.950 -0.914 3.427 1.00 . A A . 3 LYS HZ1 1 1
2 258 1 1 3 LYS HZ2 H 5.815 0.247 3.300 1.00 . A A . 3 LYS HZ2 1 1
2 259 1 1 3 LYS N N 3.380 -4.080 1.545 1.00 . A A . 3 LYS N 1 1
2 260 1 1 3 LYS NZ N 6.237 -0.536 2.813 1.00 . A A . 3 LYS NZ 1 1
2 261 1 1 3 LYS O O 1.341 -2.498 0.073 1.00 . A A . 3 LYS O 1 1
2 262 1 1 4 PHE C C 0.286 0.316 0.565 1.00 . A A . 4 PHE C 1 1
2 263 1 1 4 PHE CA C 0.441 -0.536 1.827 1.00 . A A . 4 PHE CA 1 1
2 264 1 1 4 PHE CB C 0.351 0.369 3.055 1.00 . A A . 4 PHE CB 1 1
2 265 1 1 4 PHE CD1 C -0.964 -1.244 4.447 1.00 . A A . 4 PHE CD1 1 1
2 266 1 1 4 PHE CD2 C 0.888 -0.178 5.439 1.00 . A A . 4 PHE CD2 1 1
2 267 1 1 4 PHE CE1 C -1.214 -1.938 5.661 1.00 . A A . 4 PHE CE1 1 1
2 268 1 1 4 PHE CE2 C 0.638 -0.872 6.653 1.00 . A A . 4 PHE CE2 1 1
2 269 1 1 4 PHE CG C 0.082 -0.378 4.363 1.00 . A A . 4 PHE CG 1 1
2 270 1 1 4 PHE CZ C -0.408 -1.738 6.737 1.00 . A A . 4 PHE CZ 1 1
2 271 1 1 4 PHE H H 2.348 -0.862 2.597 1.00 . A A . 4 PHE H 1 1
2 272 1 1 4 PHE HA H -0.308 -1.328 1.820 1.00 . A A . 4 PHE HA 1 1
2 273 1 1 4 PHE HB3 H -0.441 1.102 2.897 1.00 . A A . 4 PHE HB3 1 1
2 274 1 1 4 PHE HD1 H -1.609 -1.405 3.584 1.00 . A A . 4 PHE HD1 1 1
2 275 1 1 4 PHE HD2 H 1.725 0.515 5.371 1.00 . A A . 4 PHE HD2 1 1
2 276 1 1 4 PHE HE1 H -2.052 -2.632 5.728 1.00 . A A . 4 PHE HE1 1 1
2 277 1 1 4 PHE HE2 H 1.283 -0.711 7.515 1.00 . A A . 4 PHE HE2 1 1
2 278 1 1 4 PHE HZ H -0.601 -2.270 7.668 1.00 . A A . 4 PHE HZ 1 1
2 279 1 1 4 PHE N N 1.745 -1.176 1.865 1.00 . A A . 4 PHE N 1 1
2 280 1 1 4 PHE O O -0.216 -0.158 -0.451 1.00 . A A . 4 PHE O 1 1
2 281 1 1 5 GLU C C 0.815 3.925 0.042 1.00 . A A . 5 GLU C 1 1
2 282 1 1 5 GLU CA C 0.645 2.484 -0.444 1.00 . A A . 5 GLU CA 1 1
2 283 1 1 5 GLU CB C -0.677 2.313 -1.200 1.00 . A A . 5 GLU CB 1 1
2 284 1 1 5 GLU CD C -1.349 2.280 -3.629 1.00 . A A . 5 GLU CD 1 1
2 285 1 1 5 GLU CG C -0.447 1.656 -2.561 1.00 . A A . 5 GLU CG 1 1
2 286 1 1 5 GLU H H 1.135 1.939 1.505 1.00 . A A . 5 GLU H 1 1
2 287 1 1 5 GLU HA H 1.469 2.216 -1.104 1.00 . A A . 5 GLU HA 1 1
2 288 1 1 5 GLU HB2 H -1.361 1.705 -0.608 1.00 . A A . 5 GLU HB2 1 1
2 289 1 1 5 GLU HB3 H -1.149 3.286 -1.336 1.00 . A A . 5 GLU HB3 1 1
2 290 1 1 5 GLU HG2 H 0.597 1.766 -2.853 1.00 . A A . 5 GLU HG2 1 1
2 291 1 1 5 GLU HG3 H -0.646 0.586 -2.491 1.00 . A A . 5 GLU HG3 1 1
2 292 1 1 5 GLU N N 0.727 1.561 0.674 1.00 . A A . 5 GLU N 1 1
2 293 1 1 5 GLU O O 1.159 4.156 1.200 1.00 . A A . 5 GLU O 1 1
2 294 1 1 5 GLU OE1 O -0.975 3.289 -4.244 1.00 . A A . 5 GLU OE1 1 1
2 295 1 1 6 DTR C C -0.383 6.609 0.496 1.00 . A A . 6 DTR C 1 1
2 296 1 1 6 DTR CA C 0.686 6.267 -0.544 1.00 . A A . 6 DTR CA 1 1
2 297 1 1 6 DTR CB C 2.080 6.494 0.045 1.00 . A A . 6 DTR CB 1 1
2 298 1 1 6 DTR CD1 C 3.637 4.533 -0.581 1.00 . A A . 6 DTR CD1 1 1
2 299 1 1 6 DTR CD2 C 4.020 6.365 -1.763 1.00 . A A . 6 DTR CD2 1 1
2 300 1 1 6 DTR CE2 C 4.912 5.403 -2.193 1.00 . A A . 6 DTR CE2 1 1
2 301 1 1 6 DTR CE3 C 4.009 7.655 -2.324 1.00 . A A . 6 DTR CE3 1 1
2 302 1 1 6 DTR CG C 3.202 5.792 -0.722 1.00 . A A . 6 DTR CG 1 1
2 303 1 1 6 DTR CH2 C 5.862 6.904 -3.775 1.00 . A A . 6 DTR CH2 1 1
2 304 1 1 6 DTR CZ2 C 5.856 5.628 -3.201 1.00 . A A . 6 DTR CZ2 1 1
2 305 1 1 6 DTR CZ3 C 4.959 7.862 -3.330 1.00 . A A . 6 DTR CZ3 1 1
2 306 1 1 6 DTR H H 0.284 4.660 -1.805 1.00 . A A . 6 DTR H 1 1
2 307 1 1 6 DTR HA H 0.617 6.880 -1.442 1.00 . A A . 6 DTR HA 1 1
2 308 1 1 6 DTR HB2 H 2.284 7.565 0.068 1.00 . A A . 6 DTR HB2 1 1
2 309 1 1 6 DTR HB3 H 2.089 6.146 1.079 1.00 . A A . 6 DTR HB3 1 1
2 310 1 1 6 DTR HD1 H 3.224 3.818 0.132 1.00 . A A . 6 DTR HD1 1 1
2 311 1 1 6 DTR HE1 H 5.199 3.303 -1.539 1.00 . A A . 6 DTR HE1 1 1
2 312 1 1 6 DTR HE3 H 3.316 8.432 -2.002 1.00 . A A . 6 DTR HE3 1 1
2 313 1 1 6 DTR HH2 H 6.573 7.146 -4.565 1.00 . A A . 6 DTR HH2 1 1
2 314 1 1 6 DTR HZ2 H 6.548 4.850 -3.523 1.00 . A A . 6 DTR HZ2 1 1
2 315 1 1 6 DTR HZ3 H 4.993 8.847 -3.799 1.00 . A A . 6 DTR HZ3 1 1
2 316 1 1 6 DTR N N 0.565 4.857 -0.867 1.00 . A A . 6 DTR N 1 1
2 317 1 1 6 DTR NE1 N 4.670 4.253 -1.450 1.00 . A A . 6 DTR NE1 1 1
2 318 1 1 6 DTR O O -0.065 7.084 1.585 1.00 . A A . 6 DTR O 1 1
2 319 1 1 7 IAM C C -3.488 5.340 1.371 1.00 . A A . 7 IAM C 1 1
2 320 1 1 7 IAM CA C -2.747 6.628 1.009 1.00 . A A . 7 IAM CA 1 1
2 321 1 1 7 IAM CB C -3.701 7.555 0.252 1.00 . A A . 7 IAM CB 1 1
2 322 1 1 7 IAM CD1 C -2.877 7.672 -2.110 1.00 . A A . 7 IAM CD1 1 1
2 323 1 1 7 IAM CD2 C -4.887 6.517 -1.691 1.00 . A A . 7 IAM CD2 1 1
2 324 1 1 7 IAM CE1 C -2.994 7.376 -3.494 1.00 . A A . 7 IAM CE1 1 1
2 325 1 1 7 IAM CE2 C -5.003 6.219 -3.076 1.00 . A A . 7 IAM CE2 1 1
2 326 1 1 7 IAM CG C -3.826 7.236 -1.239 1.00 . A A . 7 IAM CG 1 1
2 327 1 1 7 IAM CI C -2.744 4.819 -6.933 1.00 . A A . 7 IAM CI 1 1
2 328 1 1 7 IAM CK1 C -1.303 4.745 -7.470 1.00 . A A . 7 IAM CK1 1 1
2 329 1 1 7 IAM CK2 C -3.721 5.020 -8.106 1.00 . A A . 7 IAM CK2 1 1
2 330 1 1 7 IAM CT C -4.181 6.332 -5.446 1.00 . A A . 7 IAM CT 1 1
2 331 1 1 7 IAM CZ C -4.056 6.655 -3.948 1.00 . A A . 7 IAM CZ 1 1
2 332 1 1 7 IAM H H -1.878 5.967 -0.765 1.00 . A A . 7 IAM H 1 1
2 333 1 1 7 IAM HA H -2.339 7.078 1.914 1.00 . A A . 7 IAM HA 1 1
2 334 1 1 7 IAM HB H -4.686 7.496 0.711 1.00 . A A . 7 IAM HB 1 1
2 335 1 1 7 IAM HB1 H -3.356 8.583 0.365 1.00 . A A . 7 IAM HB1 1 1
2 336 1 1 7 IAM HD1 H -2.027 8.250 -1.747 1.00 . A A . 7 IAM HD1 1 1
2 337 1 1 7 IAM HD2 H -5.646 6.167 -0.994 1.00 . A A . 7 IAM HD2 1 1
2 338 1 1 7 IAM HE1 H -2.233 7.724 -4.192 1.00 . A A . 7 IAM HE1 1 1
2 339 1 1 7 IAM HE2 H -5.854 5.642 -3.439 1.00 . A A . 7 IAM HE2 1 1
2 340 1 1 7 IAM HH H -2.012 6.454 -5.681 1.00 . A A . 7 IAM HH 1 1
2 341 1 1 7 IAM HI H -2.985 3.904 -6.437 1.00 . A A . 7 IAM HI 1 1
2 342 1 1 7 IAM HK11 H -1.064 5.656 -7.981 1.00 . A A . 7 IAM HK11 1 1
2 343 1 1 7 IAM HK12 H -0.624 4.606 -6.656 1.00 . A A . 7 IAM HK12 1 1
2 344 1 1 7 IAM HK13 H -1.216 3.923 -8.151 1.00 . A A . 7 IAM HK13 1 1
2 345 1 1 7 IAM HK21 H -3.571 4.248 -8.831 1.00 . A A . 7 IAM HK21 1 1
2 346 1 1 7 IAM HK22 H -4.727 4.980 -7.744 1.00 . A A . 7 IAM HK22 1 1
2 347 1 1 7 IAM HK23 H -3.544 5.973 -8.560 1.00 . A A . 7 IAM HK23 1 1
2 348 1 1 7 IAM HT1 H -4.535 7.197 -5.970 1.00 . A A . 7 IAM HT1 1 1
2 349 1 1 7 IAM HT2 H -4.871 5.524 -5.582 1.00 . A A . 7 IAM HT2 1 1
2 350 1 1 7 IAM N N -1.628 6.354 0.123 1.00 . A A . 7 IAM N 1 1
2 351 1 1 7 IAM NH N -2.856 5.942 -5.976 1.00 . A A . 7 IAM NH 1 1
2 352 1 1 7 IAM O O -3.992 5.202 2.485 1.00 . A A . 7 IAM O 1 1
2 353 1 1 8 THR C C -3.396 2.277 1.572 1.00 . A A . 8 THR C 1 1
2 354 1 1 8 THR CA C -4.202 3.156 0.614 1.00 . A A . 8 THR CA 1 1
2 355 1 1 8 THR CB C -4.427 2.516 -0.757 1.00 . A A . 8 THR CB 1 1
2 356 1 1 8 THR CG2 C -5.642 3.098 -1.484 1.00 . A A . 8 THR CG2 1 1
2 357 1 1 8 THR H H -3.117 4.549 -0.493 1.00 . A A . 8 THR H 1 1
2 358 1 1 8 THR HA H -5.165 3.348 1.089 1.00 . A A . 8 THR HA 1 1
2 359 1 1 8 THR HB H -4.507 1.433 -0.671 1.00 . A A . 8 THR HB 1 1
2 360 1 1 8 THR HG1 H -3.497 2.809 -2.505 1.00 . A A . 8 THR HG1 1 1
2 361 1 1 8 THR HG21 H -6.074 2.338 -2.134 1.00 . A A . 8 THR HG21 1 1
2 362 1 1 8 THR HG22 H -6.383 3.416 -0.752 1.00 . A A . 8 THR HG22 1 1
2 363 1 1 8 THR HG23 H -5.330 3.954 -2.081 1.00 . A A . 8 THR HG23 1 1
2 364 1 1 8 THR N N -3.530 4.429 0.410 1.00 . A A . 8 THR N 1 1
2 365 1 1 8 THR O O -2.256 2.594 1.902 1.00 . A A . 8 THR O 1 1
2 366 1 1 8 THR OG1 O -3.315 2.955 -1.532 1.00 . A A . 8 THR OG1 1 1
2 367 1 1 9 PHE C C -3.785 -1.185 2.597 1.00 . A A . 9 PHE C 1 1
2 368 1 1 9 PHE CA C -3.379 0.259 2.905 1.00 . A A . 9 PHE CA 1 1
2 369 1 1 9 PHE CB C -3.849 0.618 4.315 1.00 . A A . 9 PHE CB 1 1
2 370 1 1 9 PHE CD1 C -2.110 2.304 4.951 1.00 . A A . 9 PHE CD1 1 1
2 371 1 1 9 PHE CD2 C -2.372 0.409 6.327 1.00 . A A . 9 PHE CD2 1 1
2 372 1 1 9 PHE CE1 C -1.076 2.777 5.801 1.00 . A A . 9 PHE CE1 1 1
2 373 1 1 9 PHE CE2 C -1.339 0.883 7.176 1.00 . A A . 9 PHE CE2 1 1
2 374 1 1 9 PHE CG C -2.736 1.129 5.231 1.00 . A A . 9 PHE CG 1 1
2 375 1 1 9 PHE CZ C -0.713 2.057 6.897 1.00 . A A . 9 PHE CZ 1 1
2 376 1 1 9 PHE H H -4.951 0.935 1.718 1.00 . A A . 9 PHE H 1 1
2 377 1 1 9 PHE HA H -2.303 0.366 2.770 1.00 . A A . 9 PHE HA 1 1
2 378 1 1 9 PHE HB3 H -4.306 -0.260 4.771 1.00 . A A . 9 PHE HB3 1 1
2 379 1 1 9 PHE HD1 H -2.401 2.880 4.074 1.00 . A A . 9 PHE HD1 1 1
2 380 1 1 9 PHE HD2 H -2.875 -0.533 6.551 1.00 . A A . 9 PHE HD2 1 1
2 381 1 1 9 PHE HE1 H -0.575 3.719 5.577 1.00 . A A . 9 PHE HE1 1 1
2 382 1 1 9 PHE HE2 H -1.047 0.306 8.054 1.00 . A A . 9 PHE HE2 1 1
2 383 1 1 9 PHE HZ H 0.081 2.421 7.549 1.00 . A A . 9 PHE HZ 1 1
2 384 1 1 9 PHE N N -4.023 1.187 1.991 1.00 . A A . 9 PHE N 1 1
2 385 1 1 9 PHE O O -3.866 -2.016 3.499 1.00 . A A . 9 PHE O 1 1
2 386 1 1 10 . C C -3.514 -3.806 1.535 1.00 . A A . 10 HHK C 1 1
2 387 1 1 10 . CA C -4.426 -2.765 0.881 1.00 . A A . 10 HHK CA 1 1
2 388 1 1 10 . CB C -4.448 -2.840 -0.646 1.00 . A A . 10 HHK CB 1 1
2 389 1 1 10 . CD C -6.088 -1.182 -1.606 1.00 . A A . 10 HHK CD 1 1
2 390 1 1 10 . CE C -5.357 -0.871 -2.913 1.00 . A A . 10 HHK CE 1 1
2 391 1 1 10 . CG C -5.865 -2.635 -1.184 1.00 . A A . 10 HHK CG 1 1
2 392 1 1 10 . CT C -2.999 -0.345 -3.613 1.00 . A A . 10 HHK CT 1 1
2 393 1 1 10 . CZ C -4.125 0.007 -2.624 1.00 . A A . 10 HHK CZ 1 1
2 394 1 1 10 . H H -3.961 -0.754 0.592 1.00 . A A . 10 HHK H 1 1
2 395 1 1 10 . HA H -5.446 -2.932 1.226 1.00 . A A . 10 HHK HA 1 1
2 396 1 1 10 . HB2 H -3.784 -2.081 -1.062 1.00 . A A . 10 HHK HB2 1 1
2 397 1 1 10 . HB3 H -4.066 -3.808 -0.972 1.00 . A A . 10 HHK HB3 1 1
2 398 1 1 10 . HD2 H -7.155 -0.996 -1.727 1.00 . A A . 10 HHK HD2 1 1
2 399 1 1 10 . HD3 H -5.737 -0.514 -0.818 1.00 . A A . 10 HHK HD3 1 1
2 400 1 1 10 . HE2 H -5.053 -1.799 -3.396 1.00 . A A . 10 HHK HE2 1 1
2 401 1 1 10 . HE3 H -6.032 -0.359 -3.599 1.00 . A A . 10 HHK HE3 1 1
2 402 1 1 10 . HG2 H -6.032 -3.295 -2.037 1.00 . A A . 10 HHK HG2 1 1
2 403 1 1 10 . HG3 H -6.592 -2.915 -0.422 1.00 . A A . 10 HHK HG3 1 1
2 404 1 1 10 . HH2 H -3.072 1.662 -4.018 1.00 . A A . 10 HHK HH2 1 1
2 405 1 1 10 . HT1 H -3.315 -1.156 -4.239 1.00 . A A . 10 HHK HT1 1 1
2 406 1 1 10 . HT2 H -2.128 -0.635 -3.069 1.00 . A A . 10 HHK HT2 1 1
2 407 1 1 10 . HZ2 H -4.390 1.036 -2.736 1.00 . A A . 10 HHK HZ2 1 1
2 408 1 1 10 . HZ3 H -3.789 -0.168 -1.623 1.00 . A A . 10 HHK HZ3 1 1
2 409 1 1 10 . N N -4.029 -1.438 1.320 1.00 . A A . 10 HHK N 1 1
2 410 1 1 10 . NH N -2.693 0.833 -4.452 1.00 . A A . 10 HHK NH 1 1
2 411 1 1 10 . O O -3.973 -4.623 2.332 1.00 . A A . 10 HHK O 1 1
2 412 1 1 11 SER C C -1.630 -6.102 1.332 1.00 . A A . 11 SER C 1 1
2 413 1 1 11 SER CA C -1.262 -4.668 1.717 1.00 . A A . 11 SER CA 1 1
2 414 1 1 11 SER CB C -1.160 -4.535 3.238 1.00 . A A . 11 SER CB 1 1
2 415 1 1 11 SER H H -1.877 -3.073 0.526 1.00 . A A . 11 SER H 1 1
2 416 1 1 11 SER HA H -0.312 -4.382 1.264 1.00 . A A . 11 SER HA 1 1
2 417 1 1 11 SER HB3 H -2.151 -4.344 3.651 1.00 . A A . 11 SER HB3 1 1
2 418 1 1 11 SER HG H -0.388 -5.522 4.796 1.00 . A A . 11 SER HG 1 1
2 419 1 1 11 SER N N -2.242 -3.740 1.174 1.00 . A A . 11 SER N 1 1
2 420 1 1 11 SER O O -2.805 -6.466 1.329 1.00 . A A . 11 SER O 1 1
2 421 1 1 11 SER OG O -0.614 -5.705 3.840 1.00 . A A . 11 SER OG 1 1
2 422 1 1 12 CYS C C -1.615 -8.956 1.732 1.00 . A A . 12 CYS C 1 1
2 423 1 1 12 CYS CA C -0.806 -8.265 0.633 1.00 . A A . 12 CYS CA 1 1
2 424 1 1 12 CYS CB C 0.522 -8.977 0.367 1.00 . A A . 12 CYS CB 1 1
2 425 1 1 12 CYS H H 0.349 -6.575 1.022 1.00 . A A . 12 CYS H 1 1
2 426 1 1 12 CYS HA H -1.359 -8.252 -0.306 1.00 . A A . 12 CYS HA 1 1
2 427 1 1 12 CYS HB3 H 1.107 -8.378 -0.332 1.00 . A A . 12 CYS HB3 1 1
2 428 1 1 12 CYS N N -0.605 -6.878 1.017 1.00 . A A . 12 CYS N 1 1
2 429 1 1 12 CYS O O -2.838 -8.831 1.779 1.00 . A A . 12 CYS O 1 1
2 430 1 1 12 CYS SG S 1.535 -9.291 1.859 1.00 . A A . 12 CYS SG 1 1
3 431 1 1 1 TYR C C 4.899 -6.955 0.367 1.00 . A A . 1 TYR C 1 1
3 432 1 1 1 TYR CA C 6.373 -7.258 0.637 1.00 . A A . 1 TYR CA 1 1
3 433 1 1 1 TYR CB C 7.063 -5.983 1.129 1.00 . A A . 1 TYR CB 1 1
3 434 1 1 1 TYR CD1 C 8.639 -6.973 2.829 1.00 . A A . 1 TYR CD1 1 1
3 435 1 1 1 TYR CD2 C 9.561 -5.659 1.057 1.00 . A A . 1 TYR CD2 1 1
3 436 1 1 1 TYR CE1 C 9.962 -7.189 3.357 1.00 . A A . 1 TYR CE1 1 1
3 437 1 1 1 TYR CE2 C 10.884 -5.874 1.586 1.00 . A A . 1 TYR CE2 1 1
3 438 1 1 1 TYR CG C 8.468 -6.212 1.690 1.00 . A A . 1 TYR CG 1 1
3 439 1 1 1 TYR CZ C 11.019 -6.629 2.709 1.00 . A A . 1 TYR CZ 1 1
3 440 1 1 1 TYR H1 H 6.554 -7.451 -1.431 1.00 . A A . 1 TYR H1 1 1
3 441 1 1 1 TYR HA H 6.445 -8.093 1.333 1.00 . A A . 1 TYR HA 1 1
3 442 1 1 1 TYR HB3 H 6.445 -5.524 1.900 1.00 . A A . 1 TYR HB3 1 1
3 443 1 1 1 TYR HD1 H 7.776 -7.411 3.328 1.00 . A A . 1 TYR HD1 1 1
3 444 1 1 1 TYR HD2 H 9.425 -5.058 0.158 1.00 . A A . 1 TYR HD2 1 1
3 445 1 1 1 TYR HE1 H 10.113 -7.787 4.255 1.00 . A A . 1 TYR HE1 1 1
3 446 1 1 1 TYR HE2 H 11.756 -5.443 1.096 1.00 . A A . 1 TYR HE2 1 1
3 447 1 1 1 TYR HH H 12.467 -7.812 3.239 1.00 . A A . 1 TYR HH 1 1
3 448 1 1 1 TYR N N 7.059 -7.636 -0.589 1.00 . A A . 1 TYR N 1 1
3 449 1 1 1 TYR O O 4.430 -7.089 -0.761 1.00 . A A . 1 TYR O 1 1
3 450 1 1 1 TYR OH O 12.268 -6.832 3.208 1.00 . A A . 1 TYR OH 1 1
3 451 1 1 2 CYS C C 2.665 -4.872 0.616 1.00 . A A . 2 CYS C 1 1
3 452 1 1 2 CYS CA C 2.796 -6.227 1.316 1.00 . A A . 2 CYS CA 1 1
3 453 1 1 2 CYS CB C 2.109 -6.231 2.682 1.00 . A A . 2 CYS CB 1 1
3 454 1 1 2 CYS H H 4.598 -6.443 2.338 1.00 . A A . 2 CYS H 1 1
3 455 1 1 2 CYS HA H 2.338 -7.016 0.719 1.00 . A A . 2 CYS HA 1 1
3 456 1 1 2 CYS HB3 H 1.232 -5.584 2.635 1.00 . A A . 2 CYS HB3 1 1
3 457 1 1 2 CYS N N 4.208 -6.551 1.424 1.00 . A A . 2 CYS N 1 1
3 458 1 1 2 CYS O O 1.724 -4.652 -0.145 1.00 . A A . 2 CYS O 1 1
3 459 1 1 2 CYS SG S 1.589 -7.883 3.275 1.00 . A A . 2 CYS SG 1 1
3 460 1 1 3 LYS C C 2.210 -2.102 0.338 1.00 . A A . 3 LYS C 1 1
3 461 1 1 3 LYS CA C 3.628 -2.676 0.304 1.00 . A A . 3 LYS CA 1 1
3 462 1 1 3 LYS CB C 4.241 -2.718 -1.097 1.00 . A A . 3 LYS CB 1 1
3 463 1 1 3 LYS CD C 4.131 -3.788 -3.380 1.00 . A A . 3 LYS CD 1 1
3 464 1 1 3 LYS CE C 4.998 -5.015 -3.664 1.00 . A A . 3 LYS CE 1 1
3 465 1 1 3 LYS CG C 3.595 -3.816 -1.946 1.00 . A A . 3 LYS CG 1 1
3 466 1 1 3 LYS H H 4.386 -4.191 1.517 1.00 . A A . 3 LYS H 1 1
3 467 1 1 3 LYS HA H 4.271 -2.045 0.918 1.00 . A A . 3 LYS HA 1 1
3 468 1 1 3 LYS HB3 H 5.313 -2.894 -1.025 1.00 . A A . 3 LYS HB3 1 1
3 469 1 1 3 LYS HD3 H 4.715 -2.882 -3.534 1.00 . A A . 3 LYS HD3 1 1
3 470 1 1 3 LYS HE3 H 4.504 -5.913 -3.290 1.00 . A A . 3 LYS HE3 1 1
3 471 1 1 3 LYS HG3 H 2.515 -3.685 -1.956 1.00 . A A . 3 LYS HG3 1 1
3 472 1 1 3 LYS HZ1 H 4.404 -5.005 -5.661 1.00 . A A . 3 LYS HZ1 1 1
3 473 1 1 3 LYS HZ2 H 5.929 -4.477 -5.449 1.00 . A A . 3 LYS HZ2 1 1
3 474 1 1 3 LYS N N 3.624 -4.003 0.896 1.00 . A A . 3 LYS N 1 1
3 475 1 1 3 LYS NZ N 5.245 -5.149 -5.117 1.00 . A A . 3 LYS NZ 1 1
3 476 1 1 3 LYS O O 1.428 -2.312 -0.589 1.00 . A A . 3 LYS O 1 1
3 477 1 1 4 PHE C C 0.285 0.153 0.418 1.00 . A A . 4 PHE C 1 1
3 478 1 1 4 PHE CA C 0.610 -0.783 1.583 1.00 . A A . 4 PHE CA 1 1
3 479 1 1 4 PHE CB C 0.656 0.031 2.878 1.00 . A A . 4 PHE CB 1 1
3 480 1 1 4 PHE CD1 C -0.570 -1.562 4.371 1.00 . A A . 4 PHE CD1 1 1
3 481 1 1 4 PHE CD2 C 1.556 -0.814 5.057 1.00 . A A . 4 PHE CD2 1 1
3 482 1 1 4 PHE CE1 C -0.673 -2.346 5.550 1.00 . A A . 4 PHE CE1 1 1
3 483 1 1 4 PHE CE2 C 1.452 -1.597 6.236 1.00 . A A . 4 PHE CE2 1 1
3 484 1 1 4 PHE CG C 0.543 -0.811 4.149 1.00 . A A . 4 PHE CG 1 1
3 485 1 1 4 PHE CZ C 0.339 -2.347 6.458 1.00 . A A . 4 PHE CZ 1 1
3 486 1 1 4 PHE H H 2.562 -1.221 2.165 1.00 . A A . 4 PHE H 1 1
3 487 1 1 4 PHE HA H -0.119 -1.592 1.611 1.00 . A A . 4 PHE HA 1 1
3 488 1 1 4 PHE HB3 H -0.154 0.761 2.866 1.00 . A A . 4 PHE HB3 1 1
3 489 1 1 4 PHE HD1 H -1.380 -1.562 3.643 1.00 . A A . 4 PHE HD1 1 1
3 490 1 1 4 PHE HD2 H 2.448 -0.212 4.880 1.00 . A A . 4 PHE HD2 1 1
3 491 1 1 4 PHE HE1 H -1.566 -2.947 5.729 1.00 . A A . 4 PHE HE1 1 1
3 492 1 1 4 PHE HE2 H 2.262 -1.597 6.964 1.00 . A A . 4 PHE HE2 1 1
3 493 1 1 4 PHE HZ H 0.258 -2.949 7.364 1.00 . A A . 4 PHE HZ 1 1
3 494 1 1 4 PHE N N 1.921 -1.389 1.417 1.00 . A A . 4 PHE N 1 1
3 495 1 1 4 PHE O O -0.342 -0.259 -0.558 1.00 . A A . 4 PHE O 1 1
3 496 1 1 5 GLU C C 0.731 3.797 0.083 1.00 . A A . 5 GLU C 1 1
3 497 1 1 5 GLU CA C 0.493 2.392 -0.474 1.00 . A A . 5 GLU CA 1 1
3 498 1 1 5 GLU CB C -0.919 2.261 -1.052 1.00 . A A . 5 GLU CB 1 1
3 499 1 1 5 GLU CD C -1.399 0.286 -2.544 1.00 . A A . 5 GLU CD 1 1
3 500 1 1 5 GLU CG C -0.878 1.723 -2.483 1.00 . A A . 5 GLU CG 1 1
3 501 1 1 5 GLU H H 1.239 1.721 1.353 1.00 . A A . 5 GLU H 1 1
3 502 1 1 5 GLU HA H 1.220 2.178 -1.257 1.00 . A A . 5 GLU HA 1 1
3 503 1 1 5 GLU HB2 H -1.510 1.594 -0.425 1.00 . A A . 5 GLU HB2 1 1
3 504 1 1 5 GLU HB3 H -1.411 3.233 -1.038 1.00 . A A . 5 GLU HB3 1 1
3 505 1 1 5 GLU HG2 H -1.479 2.361 -3.132 1.00 . A A . 5 GLU HG2 1 1
3 506 1 1 5 GLU HG3 H 0.144 1.759 -2.861 1.00 . A A . 5 GLU HG3 1 1
3 507 1 1 5 GLU N N 0.729 1.395 0.556 1.00 . A A . 5 GLU N 1 1
3 508 1 1 5 GLU O O 0.999 3.959 1.274 1.00 . A A . 5 GLU O 1 1
3 509 1 1 5 GLU OE1 O -0.696 -0.607 -3.039 1.00 . A A . 5 GLU OE1 1 1
3 510 1 1 6 DTR C C -0.240 6.518 0.630 1.00 . A A . 6 DTR C 1 1
3 511 1 1 6 DTR CA C 0.820 6.161 -0.414 1.00 . A A . 6 DTR CA 1 1
3 512 1 1 6 DTR CB C 2.217 6.280 0.200 1.00 . A A . 6 DTR CB 1 1
3 513 1 1 6 DTR CD1 C 3.704 4.396 -0.745 1.00 . A A . 6 DTR CD1 1 1
3 514 1 1 6 DTR CD2 C 4.196 6.392 -1.567 1.00 . A A . 6 DTR CD2 1 1
3 515 1 1 6 DTR CE2 C 5.056 5.484 -2.149 1.00 . A A . 6 DTR CE2 1 1
3 516 1 1 6 DTR CE3 C 4.252 7.763 -1.883 1.00 . A A . 6 DTR CE3 1 1
3 517 1 1 6 DTR CG C 3.328 5.678 -0.663 1.00 . A A . 6 DTR CG 1 1
3 518 1 1 6 DTR CH2 C 6.110 7.205 -3.414 1.00 . A A . 6 DTR CH2 1 1
3 519 1 1 6 DTR CZ2 C 6.035 5.844 -3.083 1.00 . A A . 6 DTR CZ2 1 1
3 520 1 1 6 DTR CZ3 C 5.236 8.106 -2.819 1.00 . A A . 6 DTR CZ3 1 1
3 521 1 1 6 DTR H H 0.402 4.635 -1.767 1.00 . A A . 6 DTR H 1 1
3 522 1 1 6 DTR HA H 0.799 6.819 -1.283 1.00 . A A . 6 DTR HA 1 1
3 523 1 1 6 DTR HB2 H 2.438 7.332 0.377 1.00 . A A . 6 DTR HB2 1 1
3 524 1 1 6 DTR HB3 H 2.218 5.787 1.172 1.00 . A A . 6 DTR HB3 1 1
3 525 1 1 6 DTR HD1 H 3.246 3.584 -0.182 1.00 . A A . 6 DTR HD1 1 1
3 526 1 1 6 DTR HE1 H 5.240 3.291 -1.885 1.00 . A A . 6 DTR HE1 1 1
3 527 1 1 6 DTR HE3 H 3.584 8.498 -1.437 1.00 . A A . 6 DTR HE3 1 1
3 528 1 1 6 DTR HH2 H 6.850 7.552 -4.134 1.00 . A A . 6 DTR HH2 1 1
3 529 1 1 6 DTR HZ2 H 6.703 5.108 -3.529 1.00 . A A . 6 DTR HZ2 1 1
3 530 1 1 6 DTR HZ3 H 5.322 9.156 -3.099 1.00 . A A . 6 DTR HZ3 1 1
3 531 1 1 6 DTR N N 0.620 4.777 -0.802 1.00 . A A . 6 DTR N 1 1
3 532 1 1 6 DTR NE1 N 4.748 4.230 -1.633 1.00 . A A . 6 DTR NE1 1 1
3 533 1 1 6 DTR O O 0.087 6.974 1.726 1.00 . A A . 6 DTR O 1 1
3 534 1 1 7 IAM C C -3.349 5.305 1.527 1.00 . A A . 7 IAM C 1 1
3 535 1 1 7 IAM CA C -2.603 6.584 1.146 1.00 . A A . 7 IAM CA 1 1
3 536 1 1 7 IAM CB C -3.556 7.509 0.384 1.00 . A A . 7 IAM CB 1 1
3 537 1 1 7 IAM CD1 C -4.749 6.405 -1.520 1.00 . A A . 7 IAM CD1 1 1
3 538 1 1 7 IAM CD2 C -2.788 7.618 -1.996 1.00 . A A . 7 IAM CD2 1 1
3 539 1 1 7 IAM CE1 C -4.886 6.086 -2.898 1.00 . A A . 7 IAM CE1 1 1
3 540 1 1 7 IAM CE2 C -2.925 7.301 -3.374 1.00 . A A . 7 IAM CE2 1 1
3 541 1 1 7 IAM CG C -3.704 7.165 -1.098 1.00 . A A . 7 IAM CG 1 1
3 542 1 1 7 IAM CI C -4.218 4.006 -6.614 1.00 . A A . 7 IAM CI 1 1
3 543 1 1 7 IAM CK1 C -3.851 4.631 -7.973 1.00 . A A . 7 IAM CK1 1 1
3 544 1 1 7 IAM CK2 C -5.749 3.945 -6.471 1.00 . A A . 7 IAM CK2 1 1
3 545 1 1 7 IAM CT C -4.120 6.196 -5.287 1.00 . A A . 7 IAM CT 1 1
3 546 1 1 7 IAM CZ C -3.969 6.540 -3.794 1.00 . A A . 7 IAM CZ 1 1
3 547 1 1 7 IAM H H -1.751 5.924 -0.635 1.00 . A A . 7 IAM H 1 1
3 548 1 1 7 IAM HA H -2.187 7.042 2.043 1.00 . A A . 7 IAM HA 1 1
3 549 1 1 7 IAM HB H -4.538 7.467 0.854 1.00 . A A . 7 IAM HB 1 1
3 550 1 1 7 IAM HB1 H -3.201 8.534 0.475 1.00 . A A . 7 IAM HB1 1 1
3 551 1 1 7 IAM HD1 H -5.482 6.040 -0.801 1.00 . A A . 7 IAM HD1 1 1
3 552 1 1 7 IAM HD2 H -1.950 8.227 -1.659 1.00 . A A . 7 IAM HD2 1 1
3 553 1 1 7 IAM HE1 H -5.726 5.478 -3.235 1.00 . A A . 7 IAM HE1 1 1
3 554 1 1 7 IAM HE2 H -2.191 7.664 -4.093 1.00 . A A . 7 IAM HE2 1 1
3 555 1 1 7 IAM HH H -2.889 4.427 -4.932 1.00 . A A . 7 IAM HH 1 1
3 556 1 1 7 IAM HI H -3.829 3.012 -6.562 1.00 . A A . 7 IAM HI 1 1
3 557 1 1 7 IAM HK11 H -4.254 5.621 -8.033 1.00 . A A . 7 IAM HK11 1 1
3 558 1 1 7 IAM HK12 H -2.788 4.673 -8.072 1.00 . A A . 7 IAM HK12 1 1
3 559 1 1 7 IAM HK13 H -4.260 4.033 -8.761 1.00 . A A . 7 IAM HK13 1 1
3 560 1 1 7 IAM HK21 H -6.012 3.964 -5.434 1.00 . A A . 7 IAM HK21 1 1
3 561 1 1 7 IAM HK22 H -6.189 4.789 -6.964 1.00 . A A . 7 IAM HK22 1 1
3 562 1 1 7 IAM HK23 H -6.115 3.044 -6.917 1.00 . A A . 7 IAM HK23 1 1
3 563 1 1 7 IAM HT1 H -3.544 6.885 -5.870 1.00 . A A . 7 IAM HT1 1 1
3 564 1 1 7 IAM HT2 H -5.152 6.263 -5.570 1.00 . A A . 7 IAM HT2 1 1
3 565 1 1 7 IAM N N -1.493 6.294 0.256 1.00 . A A . 7 IAM N 1 1
3 566 1 1 7 IAM NH N -3.635 4.821 -5.525 1.00 . A A . 7 IAM NH 1 1
3 567 1 1 7 IAM O O -3.827 5.172 2.653 1.00 . A A . 7 IAM O 1 1
3 568 1 1 8 THR C C -3.201 2.166 1.563 1.00 . A A . 8 THR C 1 1
3 569 1 1 8 THR CA C -4.105 3.129 0.790 1.00 . A A . 8 THR CA 1 1
3 570 1 1 8 THR CB C -4.548 2.586 -0.570 1.00 . A A . 8 THR CB 1 1
3 571 1 1 8 THR CG2 C -5.845 3.233 -1.064 1.00 . A A . 8 THR CG2 1 1
3 572 1 1 8 THR H H -3.034 4.509 -0.343 1.00 . A A . 8 THR H 1 1
3 573 1 1 8 THR HA H -4.982 3.313 1.412 1.00 . A A . 8 THR HA 1 1
3 574 1 1 8 THR HB H -4.641 1.501 -0.545 1.00 . A A . 8 THR HB 1 1
3 575 1 1 8 THR HG1 H -3.195 2.304 -2.016 1.00 . A A . 8 THR HG1 1 1
3 576 1 1 8 THR HG21 H -6.332 2.571 -1.780 1.00 . A A . 8 THR HG21 1 1
3 577 1 1 8 THR HG22 H -6.511 3.405 -0.218 1.00 . A A . 8 THR HG22 1 1
3 578 1 1 8 THR HG23 H -5.617 4.184 -1.545 1.00 . A A . 8 THR HG23 1 1
3 579 1 1 8 THR N N -3.425 4.394 0.569 1.00 . A A . 8 THR N 1 1
3 580 1 1 8 THR O O -1.993 2.378 1.649 1.00 . A A . 8 THR O 1 1
3 581 1 1 8 THR OG1 O -3.557 3.063 -1.474 1.00 . A A . 8 THR OG1 1 1
3 582 1 1 9 PHE C C -3.618 -1.274 2.584 1.00 . A A . 9 PHE C 1 1
3 583 1 1 9 PHE CA C -3.089 0.133 2.869 1.00 . A A . 9 PHE CA 1 1
3 584 1 1 9 PHE CB C -3.303 0.456 4.349 1.00 . A A . 9 PHE CB 1 1
3 585 1 1 9 PHE CD1 C -1.225 1.813 4.674 1.00 . A A . 9 PHE CD1 1 1
3 586 1 1 9 PHE CD2 C -1.668 0.081 6.205 1.00 . A A . 9 PHE CD2 1 1
3 587 1 1 9 PHE CE1 C -0.031 2.129 5.376 1.00 . A A . 9 PHE CE1 1 1
3 588 1 1 9 PHE CE2 C -0.474 0.397 6.908 1.00 . A A . 9 PHE CE2 1 1
3 589 1 1 9 PHE CG C -2.018 0.796 5.104 1.00 . A A . 9 PHE CG 1 1
3 590 1 1 9 PHE CZ C 0.319 1.413 6.476 1.00 . A A . 9 PHE CZ 1 1
3 591 1 1 9 PHE H H -4.806 0.965 2.032 1.00 . A A . 9 PHE H 1 1
3 592 1 1 9 PHE HA H -2.044 0.196 2.562 1.00 . A A . 9 PHE HA 1 1
3 593 1 1 9 PHE HB3 H -3.782 -0.397 4.831 1.00 . A A . 9 PHE HB3 1 1
3 594 1 1 9 PHE HD1 H -1.505 2.386 3.790 1.00 . A A . 9 PHE HD1 1 1
3 595 1 1 9 PHE HD2 H -2.302 -0.735 6.552 1.00 . A A . 9 PHE HD2 1 1
3 596 1 1 9 PHE HE1 H 0.605 2.945 5.030 1.00 . A A . 9 PHE HE1 1 1
3 597 1 1 9 PHE HE2 H -0.193 -0.177 7.792 1.00 . A A . 9 PHE HE2 1 1
3 598 1 1 9 PHE HZ H 1.235 1.655 7.015 1.00 . A A . 9 PHE HZ 1 1
3 599 1 1 9 PHE N N -3.822 1.129 2.106 1.00 . A A . 9 PHE N 1 1
3 600 1 1 9 PHE O O -3.585 -2.142 3.455 1.00 . A A . 9 PHE O 1 1
3 601 1 1 10 . C C -3.679 -3.853 1.400 1.00 . A A . 10 HHK C 1 1
3 602 1 1 10 . CA C -4.630 -2.744 0.951 1.00 . A A . 10 HHK CA 1 1
3 603 1 1 10 . CB C -4.916 -2.750 -0.553 1.00 . A A . 10 HHK CB 1 1
3 604 1 1 10 . CD C -6.454 -0.893 -1.293 1.00 . A A . 10 HHK CD 1 1
3 605 1 1 10 . CE C -5.811 -0.711 -2.670 1.00 . A A . 10 HHK CE 1 1
3 606 1 1 10 . CG C -6.365 -2.350 -0.836 1.00 . A A . 10 HHK CG 1 1
3 607 1 1 10 . CT C -3.483 -0.467 -3.589 1.00 . A A . 10 HHK CT 1 1
3 608 1 1 10 . CZ C -4.476 0.040 -2.529 1.00 . A A . 10 HHK CZ 1 1
3 609 1 1 10 . H H -4.118 -0.745 0.658 1.00 . A A . 10 HHK H 1 1
3 610 1 1 10 . HA H -5.584 -2.878 1.461 1.00 . A A . 10 HHK HA 1 1
3 611 1 1 10 . HB2 H -4.239 -2.061 -1.058 1.00 . A A . 10 HHK HB2 1 1
3 612 1 1 10 . HB3 H -4.721 -3.741 -0.959 1.00 . A A . 10 HHK HB3 1 1
3 613 1 1 10 . HD2 H -7.498 -0.584 -1.332 1.00 . A A . 10 HHK HD2 1 1
3 614 1 1 10 . HD3 H -5.956 -0.250 -0.569 1.00 . A A . 10 HHK HD3 1 1
3 615 1 1 10 . HE2 H -5.648 -1.683 -3.134 1.00 . A A . 10 HHK HE2 1 1
3 616 1 1 10 . HE3 H -6.485 -0.157 -3.323 1.00 . A A . 10 HHK HE3 1 1
3 617 1 1 10 . HG2 H -6.783 -3.002 -1.605 1.00 . A A . 10 HHK HG2 1 1
3 618 1 1 10 . HG3 H -6.968 -2.491 0.061 1.00 . A A . 10 HHK HG3 1 1
3 619 1 1 10 . HH2 H -3.135 1.541 -3.810 1.00 . A A . 10 HHK HH2 1 1
3 620 1 1 10 . HT1 H -4.018 -0.971 -4.367 1.00 . A A . 10 HHK HT1 1 1
3 621 1 1 10 . HT2 H -2.794 -1.147 -3.135 1.00 . A A . 10 HHK HT2 1 1
3 622 1 1 10 . HZ2 H -4.642 1.088 -2.663 1.00 . A A . 10 HHK HZ2 1 1
3 623 1 1 10 . HZ3 H -4.072 -0.132 -1.550 1.00 . A A . 10 HHK HZ3 1 1
3 624 1 1 10 . N N -4.094 -1.456 1.359 1.00 . A A . 10 HHK N 1 1
3 625 1 1 10 . NH N -2.742 0.678 -4.159 1.00 . A A . 10 HHK NH 1 1
3 626 1 1 10 . O O -4.069 -4.745 2.151 1.00 . A A . 10 HHK O 1 1
3 627 1 1 11 SER C C -1.922 -6.149 0.890 1.00 . A A . 11 SER C 1 1
3 628 1 1 11 SER CA C -1.434 -4.749 1.264 1.00 . A A . 11 SER CA 1 1
3 629 1 1 11 SER CB C -1.089 -4.687 2.753 1.00 . A A . 11 SER CB 1 1
3 630 1 1 11 SER H H -2.136 -3.035 0.310 1.00 . A A . 11 SER H 1 1
3 631 1 1 11 SER HA H -0.557 -4.479 0.675 1.00 . A A . 11 SER HA 1 1
3 632 1 1 11 SER HB3 H -0.729 -5.661 3.082 1.00 . A A . 11 SER HB3 1 1
3 633 1 1 11 SER HG H 0.575 -3.673 2.296 1.00 . A A . 11 SER HG 1 1
3 634 1 1 11 SER N N -2.445 -3.763 0.922 1.00 . A A . 11 SER N 1 1
3 635 1 1 11 SER O O -2.986 -6.302 0.291 1.00 . A A . 11 SER O 1 1
3 636 1 1 11 SER OG O -0.102 -3.698 3.032 1.00 . A A . 11 SER OG 1 1
3 637 1 1 12 CYS C C -2.945 -8.725 1.257 1.00 . A A . 12 CYS C 1 1
3 638 1 1 12 CYS CA C -1.456 -8.522 0.968 1.00 . A A . 12 CYS CA 1 1
3 639 1 1 12 CYS CB C -0.584 -9.495 1.763 1.00 . A A . 12 CYS CB 1 1
3 640 1 1 12 CYS H H -0.257 -7.006 1.744 1.00 . A A . 12 CYS H 1 1
3 641 1 1 12 CYS HA H -1.241 -8.682 -0.088 1.00 . A A . 12 CYS HA 1 1
3 642 1 1 12 CYS HB3 H -0.715 -10.496 1.356 1.00 . A A . 12 CYS HB3 1 1
3 643 1 1 12 CYS N N -1.120 -7.139 1.258 1.00 . A A . 12 CYS N 1 1
3 644 1 1 12 CYS O O -3.408 -8.463 2.366 1.00 . A A . 12 CYS O 1 1
3 645 1 1 12 CYS SG S 1.202 -9.095 1.768 1.00 . A A . 12 CYS SG 1 1
4 646 1 1 1 TYR C C 5.036 -7.208 -0.302 1.00 . A A . 1 TYR C 1 1
4 647 1 1 1 TYR CA C 6.464 -7.755 -0.256 1.00 . A A . 1 TYR CA 1 1
4 648 1 1 1 TYR CB C 7.420 -6.618 0.113 1.00 . A A . 1 TYR CB 1 1
4 649 1 1 1 TYR CD1 C 9.551 -7.924 0.453 1.00 . A A . 1 TYR CD1 1 1
4 650 1 1 1 TYR CD2 C 9.548 -6.161 -1.161 1.00 . A A . 1 TYR CD2 1 1
4 651 1 1 1 TYR CE1 C 10.931 -8.199 0.152 1.00 . A A . 1 TYR CE1 1 1
4 652 1 1 1 TYR CE2 C 10.929 -6.435 -1.464 1.00 . A A . 1 TYR CE2 1 1
4 653 1 1 1 TYR CG C 8.888 -6.910 -0.208 1.00 . A A . 1 TYR CG 1 1
4 654 1 1 1 TYR CZ C 11.552 -7.441 -0.794 1.00 . A A . 1 TYR CZ 1 1
4 655 1 1 1 TYR H1 H 7.286 -9.139 -1.577 1.00 . A A . 1 TYR H1 1 1
4 656 1 1 1 TYR HA H 6.500 -8.601 0.432 1.00 . A A . 1 TYR HA 1 1
4 657 1 1 1 TYR HB3 H 7.328 -6.409 1.179 1.00 . A A . 1 TYR HB3 1 1
4 658 1 1 1 TYR HD1 H 9.030 -8.515 1.206 1.00 . A A . 1 TYR HD1 1 1
4 659 1 1 1 TYR HD2 H 9.024 -5.361 -1.683 1.00 . A A . 1 TYR HD2 1 1
4 660 1 1 1 TYR HE1 H 11.467 -8.995 0.666 1.00 . A A . 1 TYR HE1 1 1
4 661 1 1 1 TYR HE2 H 11.462 -5.852 -2.213 1.00 . A A . 1 TYR HE2 1 1
4 662 1 1 1 TYR HH H 13.098 -8.619 -0.766 1.00 . A A . 1 TYR HH 1 1
4 663 1 1 1 TYR N N 6.887 -8.222 -1.565 1.00 . A A . 1 TYR N 1 1
4 664 1 1 1 TYR O O 4.489 -6.981 -1.380 1.00 . A A . 1 TYR O 1 1
4 665 1 1 1 TYR OH O 12.856 -7.700 -1.080 1.00 . A A . 1 TYR OH 1 1
4 666 1 1 2 CYS C C 3.162 -4.984 0.774 1.00 . A A . 2 CYS C 1 1
4 667 1 1 2 CYS CA C 3.119 -6.498 0.991 1.00 . A A . 2 CYS CA 1 1
4 668 1 1 2 CYS CB C 2.481 -6.863 2.331 1.00 . A A . 2 CYS CB 1 1
4 669 1 1 2 CYS H H 4.926 -7.201 1.754 1.00 . A A . 2 CYS H 1 1
4 670 1 1 2 CYS HA H 2.535 -6.984 0.209 1.00 . A A . 2 CYS HA 1 1
4 671 1 1 2 CYS HB3 H 1.728 -6.115 2.576 1.00 . A A . 2 CYS HB3 1 1
4 672 1 1 2 CYS N N 4.473 -7.013 0.882 1.00 . A A . 2 CYS N 1 1
4 673 1 1 2 CYS O O 3.011 -4.510 -0.352 1.00 . A A . 2 CYS O 1 1
4 674 1 1 2 CYS SG S 1.698 -8.519 2.383 1.00 . A A . 2 CYS SG 1 1
4 675 1 1 3 LYS C C 2.013 -2.249 1.749 1.00 . A A . 3 LYS C 1 1
4 676 1 1 3 LYS CA C 3.433 -2.817 1.811 1.00 . A A . 3 LYS CA 1 1
4 677 1 1 3 LYS CB C 4.326 -2.365 0.655 1.00 . A A . 3 LYS CB 1 1
4 678 1 1 3 LYS CD C 6.632 -2.303 1.677 1.00 . A A . 3 LYS CD 1 1
4 679 1 1 3 LYS CE C 7.753 -2.384 0.641 1.00 . A A . 3 LYS CE 1 1
4 680 1 1 3 LYS CG C 5.461 -1.467 1.156 1.00 . A A . 3 LYS CG 1 1
4 681 1 1 3 LYS H H 3.489 -4.660 2.779 1.00 . A A . 3 LYS H 1 1
4 682 1 1 3 LYS HA H 3.902 -2.474 2.735 1.00 . A A . 3 LYS HA 1 1
4 683 1 1 3 LYS HB3 H 3.731 -1.826 -0.082 1.00 . A A . 3 LYS HB3 1 1
4 684 1 1 3 LYS HD3 H 6.286 -3.306 1.923 1.00 . A A . 3 LYS HD3 1 1
4 685 1 1 3 LYS HE3 H 7.698 -1.526 -0.031 1.00 . A A . 3 LYS HE3 1 1
4 686 1 1 3 LYS HG3 H 5.091 -0.818 1.949 1.00 . A A . 3 LYS HG3 1 1
4 687 1 1 3 LYS HZ1 H 9.058 -1.943 2.204 1.00 . A A . 3 LYS HZ1 1 1
4 688 1 1 3 LYS HZ2 H 9.391 -3.362 1.478 1.00 . A A . 3 LYS HZ2 1 1
4 689 1 1 3 LYS N N 3.369 -4.266 1.868 1.00 . A A . 3 LYS N 1 1
4 690 1 1 3 LYS NZ N 9.075 -2.414 1.307 1.00 . A A . 3 LYS NZ 1 1
4 691 1 1 3 LYS O O 1.120 -2.861 1.165 1.00 . A A . 3 LYS O 1 1
4 692 1 1 4 PHE C C 0.227 0.187 1.016 1.00 . A A . 4 PHE C 1 1
4 693 1 1 4 PHE CA C 0.553 -0.426 2.380 1.00 . A A . 4 PHE CA 1 1
4 694 1 1 4 PHE CB C 0.636 0.690 3.422 1.00 . A A . 4 PHE CB 1 1
4 695 1 1 4 PHE CD1 C -0.318 -0.780 5.212 1.00 . A A . 4 PHE CD1 1 1
4 696 1 1 4 PHE CD2 C 1.381 0.738 5.812 1.00 . A A . 4 PHE CD2 1 1
4 697 1 1 4 PHE CE1 C -0.385 -1.237 6.554 1.00 . A A . 4 PHE CE1 1 1
4 698 1 1 4 PHE CE2 C 1.314 0.280 7.155 1.00 . A A . 4 PHE CE2 1 1
4 699 1 1 4 PHE CG C 0.563 0.199 4.870 1.00 . A A . 4 PHE CG 1 1
4 700 1 1 4 PHE CZ C 0.433 -0.697 7.497 1.00 . A A . 4 PHE CZ 1 1
4 701 1 1 4 PHE H H 2.580 -0.591 2.830 1.00 . A A . 4 PHE H 1 1
4 702 1 1 4 PHE HA H -0.191 -1.185 2.621 1.00 . A A . 4 PHE HA 1 1
4 703 1 1 4 PHE HB3 H -0.178 1.396 3.248 1.00 . A A . 4 PHE HB3 1 1
4 704 1 1 4 PHE HD1 H -0.973 -1.212 4.455 1.00 . A A . 4 PHE HD1 1 1
4 705 1 1 4 PHE HD2 H 2.087 1.522 5.537 1.00 . A A . 4 PHE HD2 1 1
4 706 1 1 4 PHE HE1 H -1.091 -2.019 6.828 1.00 . A A . 4 PHE HE1 1 1
4 707 1 1 4 PHE HE2 H 1.970 0.714 7.911 1.00 . A A . 4 PHE HE2 1 1
4 708 1 1 4 PHE HZ H 0.382 -1.046 8.528 1.00 . A A . 4 PHE HZ 1 1
4 709 1 1 4 PHE N N 1.849 -1.083 2.360 1.00 . A A . 4 PHE N 1 1
4 710 1 1 4 PHE O O -0.409 -0.453 0.180 1.00 . A A . 4 PHE O 1 1
4 711 1 1 5 GLU C C 0.659 3.629 -0.221 1.00 . A A . 5 GLU C 1 1
4 712 1 1 5 GLU CA C 0.444 2.125 -0.413 1.00 . A A . 5 GLU CA 1 1
4 713 1 1 5 GLU CB C -0.961 1.839 -0.949 1.00 . A A . 5 GLU CB 1 1
4 714 1 1 5 GLU CD C -1.249 1.695 -3.450 1.00 . A A . 5 GLU CD 1 1
4 715 1 1 5 GLU CG C -0.903 0.924 -2.173 1.00 . A A . 5 GLU CG 1 1
4 716 1 1 5 GLU H H 1.195 1.932 1.520 1.00 . A A . 5 GLU H 1 1
4 717 1 1 5 GLU HA H 1.180 1.733 -1.113 1.00 . A A . 5 GLU HA 1 1
4 718 1 1 5 GLU HB2 H -1.564 1.373 -0.170 1.00 . A A . 5 GLU HB2 1 1
4 719 1 1 5 GLU HB3 H -1.453 2.775 -1.213 1.00 . A A . 5 GLU HB3 1 1
4 720 1 1 5 GLU HG2 H 0.093 0.493 -2.263 1.00 . A A . 5 GLU HG2 1 1
4 721 1 1 5 GLU HG3 H -1.600 0.095 -2.045 1.00 . A A . 5 GLU HG3 1 1
4 722 1 1 5 GLU N N 0.678 1.419 0.835 1.00 . A A . 5 GLU N 1 1
4 723 1 1 5 GLU O O 1.016 4.074 0.869 1.00 . A A . 5 GLU O 1 1
4 724 1 1 5 GLU OE1 O -1.127 2.927 -3.482 1.00 . A A . 5 GLU OE1 1 1
4 725 1 1 6 DTR C C -0.216 6.352 -0.084 1.00 . A A . 6 DTR C 1 1
4 726 1 1 6 DTR CA C 0.601 5.811 -1.260 1.00 . A A . 6 DTR CA 1 1
4 727 1 1 6 DTR CB C 2.086 6.106 -1.044 1.00 . A A . 6 DTR CB 1 1
4 728 1 1 6 DTR CD1 C 3.140 4.313 -2.573 1.00 . A A . 6 DTR CD1 1 1
4 729 1 1 6 DTR CD2 C 3.875 6.362 -2.991 1.00 . A A . 6 DTR CD2 1 1
4 730 1 1 6 DTR CE2 C 4.512 5.508 -3.868 1.00 . A A . 6 DTR CE2 1 1
4 731 1 1 6 DTR CE3 C 4.129 7.743 -3.000 1.00 . A A . 6 DTR CE3 1 1
4 732 1 1 6 DTR CG C 2.992 5.579 -2.158 1.00 . A A . 6 DTR CG 1 1
4 733 1 1 6 DTR CH2 C 5.711 7.313 -4.849 1.00 . A A . 6 DTR CH2 1 1
4 734 1 1 6 DTR CZ2 C 5.443 5.940 -4.819 1.00 . A A . 6 DTR CZ2 1 1
4 735 1 1 6 DTR CZ3 C 5.062 8.161 -3.957 1.00 . A A . 6 DTR CZ3 1 1
4 736 1 1 6 DTR H H 0.143 3.999 -2.178 1.00 . A A . 6 DTR H 1 1
4 737 1 1 6 DTR HA H 0.322 6.261 -2.212 1.00 . A A . 6 DTR HA 1 1
4 738 1 1 6 DTR HB2 H 2.223 7.184 -0.958 1.00 . A A . 6 DTR HB2 1 1
4 739 1 1 6 DTR HB3 H 2.399 5.667 -0.097 1.00 . A A . 6 DTR HB3 1 1
4 740 1 1 6 DTR HD1 H 2.606 3.463 -2.147 1.00 . A A . 6 DTR HD1 1 1
4 741 1 1 6 DTR HE1 H 4.352 3.310 -4.122 1.00 . A A . 6 DTR HE1 1 1
4 742 1 1 6 DTR HE3 H 3.640 8.439 -2.318 1.00 . A A . 6 DTR HE3 1 1
4 743 1 1 6 DTR HH2 H 6.425 7.717 -5.567 1.00 . A A . 6 DTR HH2 1 1
4 744 1 1 6 DTR HZ2 H 5.932 5.245 -5.502 1.00 . A A . 6 DTR HZ2 1 1
4 745 1 1 6 DTR HZ3 H 5.294 9.224 -4.009 1.00 . A A . 6 DTR HZ3 1 1
4 746 1 1 6 DTR N N 0.434 4.368 -1.296 1.00 . A A . 6 DTR N 1 1
4 747 1 1 6 DTR NE1 N 4.050 4.222 -3.607 1.00 . A A . 6 DTR NE1 1 1
4 748 1 1 6 DTR O O 0.323 7.029 0.791 1.00 . A A . 6 DTR O 1 1
4 749 1 1 7 IAM C C -3.206 5.306 1.517 1.00 . A A . 7 IAM C 1 1
4 750 1 1 7 IAM CA C -2.397 6.477 0.955 1.00 . A A . 7 IAM CA 1 1
4 751 1 1 7 IAM CB C -3.355 7.492 0.329 1.00 . A A . 7 IAM CB 1 1
4 752 1 1 7 IAM CD1 C -4.619 6.350 -1.508 1.00 . A A . 7 IAM CD1 1 1
4 753 1 1 7 IAM CD2 C -2.947 7.898 -2.108 1.00 . A A . 7 IAM CD2 1 1
4 754 1 1 7 IAM CE1 C -4.895 6.114 -2.882 1.00 . A A . 7 IAM CE1 1 1
4 755 1 1 7 IAM CE2 C -3.222 7.662 -3.481 1.00 . A A . 7 IAM CE2 1 1
4 756 1 1 7 IAM CG C -3.651 7.237 -1.150 1.00 . A A . 7 IAM CG 1 1
4 757 1 1 7 IAM CI C -7.041 6.436 -5.125 1.00 . A A . 7 IAM CI 1 1
4 758 1 1 7 IAM CK1 C -7.044 4.940 -5.496 1.00 . A A . 7 IAM CK1 1 1
4 759 1 1 7 IAM CK2 C -8.295 7.113 -5.706 1.00 . A A . 7 IAM CK2 1 1
4 760 1 1 7 IAM CT C -4.488 6.521 -5.327 1.00 . A A . 7 IAM CT 1 1
4 761 1 1 7 IAM CZ C -4.189 6.775 -3.838 1.00 . A A . 7 IAM CZ 1 1
4 762 1 1 7 IAM H H -1.931 5.481 -0.814 1.00 . A A . 7 IAM H 1 1
4 763 1 1 7 IAM HA H -1.779 6.902 1.746 1.00 . A A . 7 IAM HA 1 1
4 764 1 1 7 IAM HB H -4.293 7.478 0.883 1.00 . A A . 7 IAM HB 1 1
4 765 1 1 7 IAM HB1 H -2.934 8.490 0.439 1.00 . A A . 7 IAM HB1 1 1
4 766 1 1 7 IAM HD1 H -5.183 5.819 -0.740 1.00 . A A . 7 IAM HD1 1 1
4 767 1 1 7 IAM HD2 H -2.172 8.608 -1.820 1.00 . A A . 7 IAM HD2 1 1
4 768 1 1 7 IAM HE1 H -5.670 5.404 -3.168 1.00 . A A . 7 IAM HE1 1 1
4 769 1 1 7 IAM HE2 H -2.658 8.193 -4.248 1.00 . A A . 7 IAM HE2 1 1
4 770 1 1 7 IAM HH H -5.893 7.905 -6.266 1.00 . A A . 7 IAM HH 1 1
4 771 1 1 7 IAM HI H -7.059 6.537 -4.060 1.00 . A A . 7 IAM HI 1 1
4 772 1 1 7 IAM HK11 H -7.043 4.837 -6.562 1.00 . A A . 7 IAM HK11 1 1
4 773 1 1 7 IAM HK12 H -6.171 4.471 -5.093 1.00 . A A . 7 IAM HK12 1 1
4 774 1 1 7 IAM HK13 H -7.918 4.475 -5.095 1.00 . A A . 7 IAM HK13 1 1
4 775 1 1 7 IAM HK21 H -9.162 6.539 -5.447 1.00 . A A . 7 IAM HK21 1 1
4 776 1 1 7 IAM HK22 H -8.390 8.099 -5.303 1.00 . A A . 7 IAM HK22 1 1
4 777 1 1 7 IAM HK23 H -8.211 7.168 -6.771 1.00 . A A . 7 IAM HK23 1 1
4 778 1 1 7 IAM HT1 H -4.479 5.468 -5.517 1.00 . A A . 7 IAM HT1 1 1
4 779 1 1 7 IAM HT2 H -3.742 7.001 -5.929 1.00 . A A . 7 IAM HT2 1 1
4 780 1 1 7 IAM N N -1.502 6.032 -0.099 1.00 . A A . 7 IAM N 1 1
4 781 1 1 7 IAM NH N -5.819 7.074 -5.660 1.00 . A A . 7 IAM NH 1 1
4 782 1 1 7 IAM O O -3.390 5.200 2.728 1.00 . A A . 7 IAM O 1 1
4 783 1 1 8 THR C C -3.608 2.340 1.836 1.00 . A A . 8 THR C 1 1
4 784 1 1 8 THR CA C -4.455 3.300 0.999 1.00 . A A . 8 THR CA 1 1
4 785 1 1 8 THR CB C -5.020 2.663 -0.272 1.00 . A A . 8 THR CB 1 1
4 786 1 1 8 THR CG2 C -6.191 3.456 -0.854 1.00 . A A . 8 THR CG2 1 1
4 787 1 1 8 THR H H -3.514 4.554 -0.375 1.00 . A A . 8 THR H 1 1
4 788 1 1 8 THR HA H -5.275 3.640 1.631 1.00 . A A . 8 THR HA 1 1
4 789 1 1 8 THR HB H -5.302 1.625 -0.094 1.00 . A A . 8 THR HB 1 1
4 790 1 1 8 THR HG1 H -3.325 2.074 -1.157 1.00 . A A . 8 THR HG1 1 1
4 791 1 1 8 THR HG21 H -5.856 4.011 -1.730 1.00 . A A . 8 THR HG21 1 1
4 792 1 1 8 THR HG22 H -6.987 2.770 -1.141 1.00 . A A . 8 THR HG22 1 1
4 793 1 1 8 THR HG23 H -6.565 4.155 -0.105 1.00 . A A . 8 THR HG23 1 1
4 794 1 1 8 THR N N -3.669 4.459 0.610 1.00 . A A . 8 THR N 1 1
4 795 1 1 8 THR O O -2.450 2.624 2.133 1.00 . A A . 8 THR O 1 1
4 796 1 1 8 THR OG1 O -3.979 2.825 -1.233 1.00 . A A . 8 THR OG1 1 1
4 797 1 1 9 PHE C C -3.829 -1.191 2.466 1.00 . A A . 9 PHE C 1 1
4 798 1 1 9 PHE CA C -3.539 0.215 2.991 1.00 . A A . 9 PHE CA 1 1
4 799 1 1 9 PHE CB C -4.078 0.335 4.418 1.00 . A A . 9 PHE CB 1 1
4 800 1 1 9 PHE CD1 C -2.604 2.215 5.164 1.00 . A A . 9 PHE CD1 1 1
4 801 1 1 9 PHE CD2 C -2.715 0.293 6.519 1.00 . A A . 9 PHE CD2 1 1
4 802 1 1 9 PHE CE1 C -1.692 2.808 6.078 1.00 . A A . 9 PHE CE1 1 1
4 803 1 1 9 PHE CE2 C -1.803 0.884 7.434 1.00 . A A . 9 PHE CE2 1 1
4 804 1 1 9 PHE CG C -3.096 0.972 5.404 1.00 . A A . 9 PHE CG 1 1
4 805 1 1 9 PHE CZ C -1.311 2.130 7.194 1.00 . A A . 9 PHE CZ 1 1
4 806 1 1 9 PHE H H -5.165 0.997 1.949 1.00 . A A . 9 PHE H 1 1
4 807 1 1 9 PHE HA H -2.470 0.416 2.920 1.00 . A A . 9 PHE HA 1 1
4 808 1 1 9 PHE HB3 H -4.347 -0.657 4.778 1.00 . A A . 9 PHE HB3 1 1
4 809 1 1 9 PHE HD1 H -2.908 2.761 4.271 1.00 . A A . 9 PHE HD1 1 1
4 810 1 1 9 PHE HD2 H -3.110 -0.706 6.712 1.00 . A A . 9 PHE HD2 1 1
4 811 1 1 9 PHE HE1 H -1.297 3.805 5.887 1.00 . A A . 9 PHE HE1 1 1
4 812 1 1 9 PHE HE2 H -1.499 0.339 8.327 1.00 . A A . 9 PHE HE2 1 1
4 813 1 1 9 PHE HZ H -0.611 2.582 7.895 1.00 . A A . 9 PHE HZ 1 1
4 814 1 1 9 PHE N N -4.222 1.220 2.194 1.00 . A A . 9 PHE N 1 1
4 815 1 1 9 PHE O O -3.868 -2.150 3.235 1.00 . A A . 9 PHE O 1 1
4 816 1 1 10 . C C -3.055 -3.417 0.546 1.00 . A A . 10 HHK C 1 1
4 817 1 1 10 . CA C -4.311 -2.544 0.521 1.00 . A A . 10 HHK CA 1 1
4 818 1 1 10 . CB C -4.878 -2.325 -0.883 1.00 . A A . 10 HHK CB 1 1
4 819 1 1 10 . CD C -6.753 -0.688 -1.286 1.00 . A A . 10 HHK CD 1 1
4 820 1 1 10 . CE C -6.121 -0.366 -2.642 1.00 . A A . 10 HHK CE 1 1
4 821 1 1 10 . CG C -6.392 -2.104 -0.834 1.00 . A A . 10 HHK CG 1 1
4 822 1 1 10 . CT C -3.996 0.558 -3.619 1.00 . A A . 10 HHK CT 1 1
4 823 1 1 10 . CZ C -5.005 0.678 -2.463 1.00 . A A . 10 HHK CZ 1 1
4 824 1 1 10 . H H -3.993 -0.486 0.540 1.00 . A A . 10 HHK H 1 1
4 825 1 1 10 . HA H -5.085 -3.037 1.108 1.00 . A A . 10 HHK HA 1 1
4 826 1 1 10 . HB2 H -4.395 -1.464 -1.345 1.00 . A A . 10 HHK HB2 1 1
4 827 1 1 10 . HB3 H -4.654 -3.189 -1.509 1.00 . A A . 10 HHK HB3 1 1
4 828 1 1 10 . HD2 H -7.837 -0.589 -1.353 1.00 . A A . 10 HHK HD2 1 1
4 829 1 1 10 . HD3 H -6.413 0.033 -0.541 1.00 . A A . 10 HHK HD3 1 1
4 830 1 1 10 . HE2 H -5.718 -1.274 -3.086 1.00 . A A . 10 HHK HE2 1 1
4 831 1 1 10 . HE3 H -6.882 0.012 -3.324 1.00 . A A . 10 HHK HE3 1 1
4 832 1 1 10 . HG2 H -6.891 -2.832 -1.476 1.00 . A A . 10 HHK HG2 1 1
4 833 1 1 10 . HG3 H -6.754 -2.270 0.179 1.00 . A A . 10 HHK HG3 1 1
4 834 1 1 10 . HH2 H -3.542 2.479 -3.063 1.00 . A A . 10 HHK HH2 1 1
4 835 1 1 10 . HT1 H -4.510 0.258 -4.509 1.00 . A A . 10 HHK HT1 1 1
4 836 1 1 10 . HT2 H -3.258 -0.174 -3.370 1.00 . A A . 10 HHK HT2 1 1
4 837 1 1 10 . HZ2 H -5.432 1.659 -2.461 1.00 . A A . 10 HHK HZ2 1 1
4 838 1 1 10 . HZ3 H -4.502 0.508 -1.531 1.00 . A A . 10 HHK HZ3 1 1
4 839 1 1 10 . N N -4.026 -1.271 1.159 1.00 . A A . 10 HHK N 1 1
4 840 1 1 10 . NH N -3.341 1.866 -3.841 1.00 . A A . 10 HHK NH 1 1
4 841 1 1 10 . O O -2.535 -3.796 -0.503 1.00 . A A . 10 HHK O 1 1
4 842 1 1 11 SER C C -1.728 -5.985 1.590 1.00 . A A . 11 SER C 1 1
4 843 1 1 11 SER CA C -1.413 -4.527 1.933 1.00 . A A . 11 SER CA 1 1
4 844 1 1 11 SER CB C -0.879 -4.422 3.364 1.00 . A A . 11 SER CB 1 1
4 845 1 1 11 SER H H -3.028 -3.395 2.605 1.00 . A A . 11 SER H 1 1
4 846 1 1 11 SER HA H -0.677 -4.122 1.239 1.00 . A A . 11 SER HA 1 1
4 847 1 1 11 SER HB3 H -0.254 -3.533 3.451 1.00 . A A . 11 SER HB3 1 1
4 848 1 1 11 SER HG H -2.201 -5.283 4.593 1.00 . A A . 11 SER HG 1 1
4 849 1 1 11 SER N N -2.600 -3.707 1.756 1.00 . A A . 11 SER N 1 1
4 850 1 1 11 SER O O -2.676 -6.561 2.121 1.00 . A A . 11 SER O 1 1
4 851 1 1 11 SER OG O -1.930 -4.360 4.323 1.00 . A A . 11 SER OG 1 1
4 852 1 1 12 CYS C C -2.368 -8.002 -0.558 1.00 . A A . 12 CYS C 1 1
4 853 1 1 12 CYS CA C -1.093 -7.921 0.285 1.00 . A A . 12 CYS CA 1 1
4 854 1 1 12 CYS CB C -1.137 -8.874 1.480 1.00 . A A . 12 CYS CB 1 1
4 855 1 1 12 CYS H H -0.146 -6.067 0.278 1.00 . A A . 12 CYS H 1 1
4 856 1 1 12 CYS HA H -0.219 -8.183 -0.309 1.00 . A A . 12 CYS HA 1 1
4 857 1 1 12 CYS HB3 H -0.743 -9.842 1.170 1.00 . A A . 12 CYS HB3 1 1
4 858 1 1 12 CYS N N -0.914 -6.540 0.706 1.00 . A A . 12 CYS N 1 1
4 859 1 1 12 CYS O O -3.248 -8.818 -0.281 1.00 . A A . 12 CYS O 1 1
4 860 1 1 12 CYS SG S -0.205 -8.306 2.949 1.00 . A A . 12 CYS SG 1 1
5 861 1 1 1 TYR C C 5.331 -7.164 0.186 1.00 . A A . 1 TYR C 1 1
5 862 1 1 1 TYR CA C 6.724 -7.477 0.738 1.00 . A A . 1 TYR CA 1 1
5 863 1 1 1 TYR CB C 7.360 -6.182 1.249 1.00 . A A . 1 TYR CB 1 1
5 864 1 1 1 TYR CD1 C 9.605 -5.891 0.141 1.00 . A A . 1 TYR CD1 1 1
5 865 1 1 1 TYR CD2 C 9.552 -6.549 2.439 1.00 . A A . 1 TYR CD2 1 1
5 866 1 1 1 TYR CE1 C 11.044 -5.914 0.169 1.00 . A A . 1 TYR CE1 1 1
5 867 1 1 1 TYR CE2 C 10.991 -6.573 2.464 1.00 . A A . 1 TYR CE2 1 1
5 868 1 1 1 TYR CG C 8.889 -6.208 1.278 1.00 . A A . 1 TYR CG 1 1
5 869 1 1 1 TYR CZ C 11.666 -6.256 1.329 1.00 . A A . 1 TYR CZ 1 1
5 870 1 1 1 TYR H1 H 7.753 -7.331 -1.067 1.00 . A A . 1 TYR H1 1 1
5 871 1 1 1 TYR HA H 6.639 -8.254 1.497 1.00 . A A . 1 TYR HA 1 1
5 872 1 1 1 TYR HB3 H 6.990 -5.981 2.255 1.00 . A A . 1 TYR HB3 1 1
5 873 1 1 1 TYR HD1 H 9.081 -5.621 -0.775 1.00 . A A . 1 TYR HD1 1 1
5 874 1 1 1 TYR HD2 H 8.986 -6.799 3.336 1.00 . A A . 1 TYR HD2 1 1
5 875 1 1 1 TYR HE1 H 11.623 -5.666 -0.721 1.00 . A A . 1 TYR HE1 1 1
5 876 1 1 1 TYR HE2 H 11.527 -6.842 3.375 1.00 . A A . 1 TYR HE2 1 1
5 877 1 1 1 TYR HH H 13.391 -5.537 0.791 1.00 . A A . 1 TYR HH 1 1
5 878 1 1 1 TYR N N 7.603 -7.968 -0.310 1.00 . A A . 1 TYR N 1 1
5 879 1 1 1 TYR O O 5.135 -7.125 -1.028 1.00 . A A . 1 TYR O 1 1
5 880 1 1 1 TYR OH O 13.027 -6.279 1.354 1.00 . A A . 1 TYR OH 1 1
5 881 1 1 2 CYS C C 2.915 -5.128 0.536 1.00 . A A . 2 CYS C 1 1
5 882 1 1 2 CYS CA C 3.032 -6.641 0.725 1.00 . A A . 2 CYS CA 1 1
5 883 1 1 2 CYS CB C 2.027 -7.168 1.750 1.00 . A A . 2 CYS CB 1 1
5 884 1 1 2 CYS H H 4.568 -6.983 2.089 1.00 . A A . 2 CYS H 1 1
5 885 1 1 2 CYS HA H 2.843 -7.165 -0.214 1.00 . A A . 2 CYS HA 1 1
5 886 1 1 2 CYS HB3 H 1.171 -6.495 1.778 1.00 . A A . 2 CYS HB3 1 1
5 887 1 1 2 CYS N N 4.400 -6.950 1.104 1.00 . A A . 2 CYS N 1 1
5 888 1 1 2 CYS O O 2.238 -4.664 -0.380 1.00 . A A . 2 CYS O 1 1
5 889 1 1 2 CYS SG S 1.429 -8.869 1.435 1.00 . A A . 2 CYS SG 1 1
5 890 1 1 3 LYS C C 2.115 -2.460 1.432 1.00 . A A . 3 LYS C 1 1
5 891 1 1 3 LYS CA C 3.564 -2.949 1.360 1.00 . A A . 3 LYS CA 1 1
5 892 1 1 3 LYS CB C 4.319 -2.450 0.125 1.00 . A A . 3 LYS CB 1 1
5 893 1 1 3 LYS CD C 4.096 -1.502 -2.200 1.00 . A A . 3 LYS CD 1 1
5 894 1 1 3 LYS CE C 3.134 -0.911 -3.234 1.00 . A A . 3 LYS CE 1 1
5 895 1 1 3 LYS CG C 3.351 -1.898 -0.924 1.00 . A A . 3 LYS CG 1 1
5 896 1 1 3 LYS H H 4.133 -4.786 2.158 1.00 . A A . 3 LYS H 1 1
5 897 1 1 3 LYS HA H 4.098 -2.579 2.235 1.00 . A A . 3 LYS HA 1 1
5 898 1 1 3 LYS HB3 H 4.899 -3.267 -0.304 1.00 . A A . 3 LYS HB3 1 1
5 899 1 1 3 LYS HD3 H 4.594 -2.376 -2.620 1.00 . A A . 3 LYS HD3 1 1
5 900 1 1 3 LYS HE3 H 2.192 -0.647 -2.755 1.00 . A A . 3 LYS HE3 1 1
5 901 1 1 3 LYS HG3 H 2.828 -1.031 -0.519 1.00 . A A . 3 LYS HG3 1 1
5 902 1 1 3 LYS HZ1 H 4.663 0.474 -3.525 1.00 . A A . 3 LYS HZ1 1 1
5 903 1 1 3 LYS HZ2 H 3.798 0.189 -4.875 1.00 . A A . 3 LYS HZ2 1 1
5 904 1 1 3 LYS N N 3.585 -4.400 1.417 1.00 . A A . 3 LYS N 1 1
5 905 1 1 3 LYS NZ N 3.727 0.287 -3.869 1.00 . A A . 3 LYS NZ 1 1
5 906 1 1 3 LYS O O 1.184 -3.237 1.225 1.00 . A A . 3 LYS O 1 1
5 907 1 1 4 PHE C C 0.311 0.217 0.568 1.00 . A A . 4 PHE C 1 1
5 908 1 1 4 PHE CA C 0.653 -0.576 1.833 1.00 . A A . 4 PHE CA 1 1
5 909 1 1 4 PHE CB C 0.689 0.380 3.026 1.00 . A A . 4 PHE CB 1 1
5 910 1 1 4 PHE CD1 C -0.597 -1.072 4.611 1.00 . A A . 4 PHE CD1 1 1
5 911 1 1 4 PHE CD2 C 1.444 -0.159 5.352 1.00 . A A . 4 PHE CD2 1 1
5 912 1 1 4 PHE CE1 C -0.768 -1.710 5.868 1.00 . A A . 4 PHE CE1 1 1
5 913 1 1 4 PHE CE2 C 1.274 -0.797 6.608 1.00 . A A . 4 PHE CE2 1 1
5 914 1 1 4 PHE CG C 0.506 -0.309 4.380 1.00 . A A . 4 PHE CG 1 1
5 915 1 1 4 PHE CZ C 0.172 -1.561 6.840 1.00 . A A . 4 PHE CZ 1 1
5 916 1 1 4 PHE H H 2.734 -0.553 1.897 1.00 . A A . 4 PHE H 1 1
5 917 1 1 4 PHE HA H -0.064 -1.387 1.953 1.00 . A A . 4 PHE HA 1 1
5 918 1 1 4 PHE HB3 H -0.093 1.129 2.903 1.00 . A A . 4 PHE HB3 1 1
5 919 1 1 4 PHE HD1 H -1.350 -1.192 3.832 1.00 . A A . 4 PHE HD1 1 1
5 920 1 1 4 PHE HD2 H 2.327 0.452 5.166 1.00 . A A . 4 PHE HD2 1 1
5 921 1 1 4 PHE HE1 H -1.650 -2.321 6.053 1.00 . A A . 4 PHE HE1 1 1
5 922 1 1 4 PHE HE2 H 2.027 -0.678 7.388 1.00 . A A . 4 PHE HE2 1 1
5 923 1 1 4 PHE HZ H 0.040 -2.051 7.804 1.00 . A A . 4 PHE HZ 1 1
5 924 1 1 4 PHE N N 1.972 -1.177 1.729 1.00 . A A . 4 PHE N 1 1
5 925 1 1 4 PHE O O -0.295 -0.316 -0.358 1.00 . A A . 4 PHE O 1 1
5 926 1 1 5 GLU C C 0.660 3.814 -0.159 1.00 . A A . 5 GLU C 1 1
5 927 1 1 5 GLU CA C 0.459 2.350 -0.559 1.00 . A A . 5 GLU CA 1 1
5 928 1 1 5 GLU CB C -0.945 2.124 -1.120 1.00 . A A . 5 GLU CB 1 1
5 929 1 1 5 GLU CD C -1.242 -0.024 -2.408 1.00 . A A . 5 GLU CD 1 1
5 930 1 1 5 GLU CG C -0.884 1.460 -2.499 1.00 . A A . 5 GLU CG 1 1
5 931 1 1 5 GLU H H 1.208 1.905 1.333 1.00 . A A . 5 GLU H 1 1
5 932 1 1 5 GLU HA H 1.197 2.070 -1.313 1.00 . A A . 5 GLU HA 1 1
5 933 1 1 5 GLU HB2 H -1.518 1.497 -0.437 1.00 . A A . 5 GLU HB2 1 1
5 934 1 1 5 GLU HB3 H -1.470 3.076 -1.195 1.00 . A A . 5 GLU HB3 1 1
5 935 1 1 5 GLU HG2 H -1.573 1.962 -3.179 1.00 . A A . 5 GLU HG2 1 1
5 936 1 1 5 GLU HG3 H 0.115 1.573 -2.916 1.00 . A A . 5 GLU HG3 1 1
5 937 1 1 5 GLU N N 0.716 1.480 0.574 1.00 . A A . 5 GLU N 1 1
5 938 1 1 5 GLU O O 0.987 4.108 0.990 1.00 . A A . 5 GLU O 1 1
5 939 1 1 5 GLU OE1 O -0.377 -0.886 -2.625 1.00 . A A . 5 GLU OE1 1 1
5 940 1 1 6 DTR C C -0.393 6.530 0.186 1.00 . A A . 6 DTR C 1 1
5 941 1 1 6 DTR CA C 0.610 6.120 -0.893 1.00 . A A . 6 DTR CA 1 1
5 942 1 1 6 DTR CB C 2.038 6.358 -0.398 1.00 . A A . 6 DTR CB 1 1
5 943 1 1 6 DTR CD1 C 3.619 4.491 -1.215 1.00 . A A . 6 DTR CD1 1 1
5 944 1 1 6 DTR CD2 C 3.811 6.367 -2.374 1.00 . A A . 6 DTR CD2 1 1
5 945 1 1 6 DTR CE2 C 4.703 5.460 -2.909 1.00 . A A . 6 DTR CE2 1 1
5 946 1 1 6 DTR CE3 C 3.689 7.668 -2.895 1.00 . A A . 6 DTR CE3 1 1
5 947 1 1 6 DTR CG C 3.118 5.731 -1.281 1.00 . A A . 6 DTR CG 1 1
5 948 1 1 6 DTR CH2 C 5.438 7.044 -4.525 1.00 . A A . 6 DTR CH2 1 1
5 949 1 1 6 DTR CZ2 C 5.541 5.755 -3.989 1.00 . A A . 6 DTR CZ2 1 1
5 950 1 1 6 DTR CZ3 C 4.535 7.947 -3.976 1.00 . A A . 6 DTR CZ3 1 1
5 951 1 1 6 DTR H H 0.192 4.447 -2.061 1.00 . A A . 6 DTR H 1 1
5 952 1 1 6 DTR HA H 0.497 6.684 -1.818 1.00 . A A . 6 DTR HA 1 1
5 953 1 1 6 DTR HB2 H 2.214 7.433 -0.334 1.00 . A A . 6 DTR HB2 1 1
5 954 1 1 6 DTR HB3 H 2.133 5.960 0.613 1.00 . A A . 6 DTR HB3 1 1
5 955 1 1 6 DTR HD1 H 3.307 3.740 -0.489 1.00 . A A . 6 DTR HD1 1 1
5 956 1 1 6 DTR HE1 H 5.145 3.362 -2.344 1.00 . A A . 6 DTR HE1 1 1
5 957 1 1 6 DTR HE3 H 2.994 8.403 -2.491 1.00 . A A . 6 DTR HE3 1 1
5 958 1 1 6 DTR HH2 H 6.062 7.339 -5.368 1.00 . A A . 6 DTR HH2 1 1
5 959 1 1 6 DTR HZ2 H 6.238 5.019 -4.394 1.00 . A A . 6 DTR HZ2 1 1
5 960 1 1 6 DTR HZ3 H 4.482 8.942 -4.417 1.00 . A A . 6 DTR HZ3 1 1
5 961 1 1 6 DTR N N 0.455 4.694 -1.129 1.00 . A A . 6 DTR N 1 1
5 962 1 1 6 DTR NE1 N 4.582 4.282 -2.181 1.00 . A A . 6 DTR NE1 1 1
5 963 1 1 6 DTR O O -0.007 7.044 1.235 1.00 . A A . 6 DTR O 1 1
5 964 1 1 7 IAM C C -3.450 5.370 1.308 1.00 . A A . 7 IAM C 1 1
5 965 1 1 7 IAM CA C -2.725 6.627 0.823 1.00 . A A . 7 IAM CA 1 1
5 966 1 1 7 IAM CB C -3.716 7.514 0.067 1.00 . A A . 7 IAM CB 1 1
5 967 1 1 7 IAM CD1 C -5.076 6.329 -1.670 1.00 . A A . 7 IAM CD1 1 1
5 968 1 1 7 IAM CD2 C -3.105 7.416 -2.358 1.00 . A A . 7 IAM CD2 1 1
5 969 1 1 7 IAM CE1 C -5.316 5.916 -3.007 1.00 . A A . 7 IAM CE1 1 1
5 970 1 1 7 IAM CE2 C -3.344 7.004 -3.696 1.00 . A A . 7 IAM CE2 1 1
5 971 1 1 7 IAM CG C -3.975 7.070 -1.373 1.00 . A A . 7 IAM CG 1 1
5 972 1 1 7 IAM CI C -2.792 6.489 -7.007 1.00 . A A . 7 IAM CI 1 1
5 973 1 1 7 IAM CK1 C -2.376 7.666 -7.908 1.00 . A A . 7 IAM CK1 1 1
5 974 1 1 7 IAM CK2 C -2.900 5.207 -7.851 1.00 . A A . 7 IAM CK2 1 1
5 975 1 1 7 IAM CT C -4.706 5.819 -5.442 1.00 . A A . 7 IAM CT 1 1
5 976 1 1 7 IAM CZ C -4.446 6.263 -3.992 1.00 . A A . 7 IAM CZ 1 1
5 977 1 1 7 IAM H H -1.968 5.869 -0.963 1.00 . A A . 7 IAM H 1 1
5 978 1 1 7 IAM HA H -2.262 7.128 1.673 1.00 . A A . 7 IAM HA 1 1
5 979 1 1 7 IAM HB H -4.663 7.524 0.609 1.00 . A A . 7 IAM HB 1 1
5 980 1 1 7 IAM HB1 H -3.342 8.536 0.060 1.00 . A A . 7 IAM HB1 1 1
5 981 1 1 7 IAM HD1 H -5.774 6.050 -0.879 1.00 . A A . 7 IAM HD1 1 1
5 982 1 1 7 IAM HD2 H -2.221 8.010 -2.122 1.00 . A A . 7 IAM HD2 1 1
5 983 1 1 7 IAM HE1 H -6.200 5.324 -3.245 1.00 . A A . 7 IAM HE1 1 1
5 984 1 1 7 IAM HE2 H -2.646 7.282 -4.487 1.00 . A A . 7 IAM HE2 1 1
5 985 1 1 7 IAM HH H -4.573 7.680 -6.577 1.00 . A A . 7 IAM HH 1 1
5 986 1 1 7 IAM HI H -2.051 6.342 -6.249 1.00 . A A . 7 IAM HI 1 1
5 987 1 1 7 IAM HK11 H -3.110 7.804 -8.677 1.00 . A A . 7 IAM HK11 1 1
5 988 1 1 7 IAM HK12 H -2.301 8.557 -7.322 1.00 . A A . 7 IAM HK12 1 1
5 989 1 1 7 IAM HK13 H -1.426 7.454 -8.357 1.00 . A A . 7 IAM HK13 1 1
5 990 1 1 7 IAM HK21 H -3.788 4.676 -7.583 1.00 . A A . 7 IAM HK21 1 1
5 991 1 1 7 IAM HK22 H -2.938 5.464 -8.889 1.00 . A A . 7 IAM HK22 1 1
5 992 1 1 7 IAM HK23 H -2.045 4.587 -7.671 1.00 . A A . 7 IAM HK23 1 1
5 993 1 1 7 IAM HT1 H -5.763 5.773 -5.616 1.00 . A A . 7 IAM HT1 1 1
5 994 1 1 7 IAM HT2 H -4.275 4.851 -5.603 1.00 . A A . 7 IAM HT2 1 1
5 995 1 1 7 IAM N N -1.662 6.288 -0.108 1.00 . A A . 7 IAM N 1 1
5 996 1 1 7 IAM NH N -4.094 6.792 -6.372 1.00 . A A . 7 IAM NH 1 1
5 997 1 1 7 IAM O O -3.945 5.330 2.434 1.00 . A A . 7 IAM O 1 1
5 998 1 1 8 THR C C -3.211 2.225 1.575 1.00 . A A . 8 THR C 1 1
5 999 1 1 8 THR CA C -4.146 3.120 0.761 1.00 . A A . 8 THR CA 1 1
5 1000 1 1 8 THR CB C -4.616 2.479 -0.547 1.00 . A A . 8 THR CB 1 1
5 1001 1 1 8 THR CG2 C -5.931 3.074 -1.053 1.00 . A A . 8 THR CG2 1 1
5 1002 1 1 8 THR H H -3.085 4.414 -0.477 1.00 . A A . 8 THR H 1 1
5 1003 1 1 8 THR HA H -5.008 3.336 1.391 1.00 . A A . 8 THR HA 1 1
5 1004 1 1 8 THR HB H -4.693 1.396 -0.444 1.00 . A A . 8 THR HB 1 1
5 1005 1 1 8 THR HG1 H -3.268 2.109 -1.979 1.00 . A A . 8 THR HG1 1 1
5 1006 1 1 8 THR HG21 H -6.666 3.069 -0.246 1.00 . A A . 8 THR HG21 1 1
5 1007 1 1 8 THR HG22 H -5.763 4.099 -1.384 1.00 . A A . 8 THR HG22 1 1
5 1008 1 1 8 THR HG23 H -6.303 2.480 -1.886 1.00 . A A . 8 THR HG23 1 1
5 1009 1 1 8 THR N N -3.490 4.375 0.435 1.00 . A A . 8 THR N 1 1
5 1010 1 1 8 THR O O -1.991 2.381 1.521 1.00 . A A . 8 THR O 1 1
5 1011 1 1 8 THR OG1 O -3.652 2.902 -1.507 1.00 . A A . 8 THR OG1 1 1
5 1012 1 1 9 PHE C C -3.599 -1.042 3.017 1.00 . A A . 9 PHE C 1 1
5 1013 1 1 9 PHE CA C -3.053 0.383 3.134 1.00 . A A . 9 PHE CA 1 1
5 1014 1 1 9 PHE CB C -3.197 0.852 4.582 1.00 . A A . 9 PHE CB 1 1
5 1015 1 1 9 PHE CD1 C -1.265 2.446 4.563 1.00 . A A . 9 PHE CD1 1 1
5 1016 1 1 9 PHE CD2 C -1.413 0.906 6.340 1.00 . A A . 9 PHE CD2 1 1
5 1017 1 1 9 PHE CE1 C -0.071 2.975 5.121 1.00 . A A . 9 PHE CE1 1 1
5 1018 1 1 9 PHE CE2 C -0.219 1.436 6.898 1.00 . A A . 9 PHE CE2 1 1
5 1019 1 1 9 PHE CG C -1.912 1.424 5.185 1.00 . A A . 9 PHE CG 1 1
5 1020 1 1 9 PHE CZ C 0.426 2.458 6.275 1.00 . A A . 9 PHE CZ 1 1
5 1021 1 1 9 PHE H H -4.808 1.182 2.348 1.00 . A A . 9 PHE H 1 1
5 1022 1 1 9 PHE HA H -2.024 0.405 2.777 1.00 . A A . 9 PHE HA 1 1
5 1023 1 1 9 PHE HB3 H -3.531 0.015 5.196 1.00 . A A . 9 PHE HB3 1 1
5 1024 1 1 9 PHE HD1 H -1.666 2.861 3.637 1.00 . A A . 9 PHE HD1 1 1
5 1025 1 1 9 PHE HD2 H -1.930 0.085 6.836 1.00 . A A . 9 PHE HD2 1 1
5 1026 1 1 9 PHE HE1 H 0.445 3.796 4.623 1.00 . A A . 9 PHE HE1 1 1
5 1027 1 1 9 PHE HE2 H 0.180 1.021 7.822 1.00 . A A . 9 PHE HE2 1 1
5 1028 1 1 9 PHE HZ H 1.342 2.865 6.704 1.00 . A A . 9 PHE HZ 1 1
5 1029 1 1 9 PHE N N -3.816 1.303 2.311 1.00 . A A . 9 PHE N 1 1
5 1030 1 1 9 PHE O O -3.537 -1.816 3.971 1.00 . A A . 9 PHE O 1 1
5 1031 1 1 10 . C C -3.687 -3.729 2.043 1.00 . A A . 10 HHK C 1 1
5 1032 1 1 10 . CA C -4.682 -2.661 1.583 1.00 . A A . 10 HHK CA 1 1
5 1033 1 1 10 . CB C -5.091 -2.795 0.115 1.00 . A A . 10 HHK CB 1 1
5 1034 1 1 10 . CD C -6.468 -0.959 -0.931 1.00 . A A . 10 HHK CD 1 1
5 1035 1 1 10 . CE C -5.688 -1.157 -2.233 1.00 . A A . 10 HHK CE 1 1
5 1036 1 1 10 . CG C -6.503 -2.250 -0.111 1.00 . A A . 10 HHK CG 1 1
5 1037 1 1 10 . CT C -3.277 -1.230 -2.941 1.00 . A A . 10 HHK CT 1 1
5 1038 1 1 10 . CZ C -4.329 -0.441 -2.141 1.00 . A A . 10 HHK CZ 1 1
5 1039 1 1 10 . H H -4.173 -0.710 1.067 1.00 . A A . 10 HHK H 1 1
5 1040 1 1 10 . HA H -5.590 -2.754 2.180 1.00 . A A . 10 HHK HA 1 1
5 1041 1 1 10 . HB2 H -4.384 -2.255 -0.516 1.00 . A A . 10 HHK HB2 1 1
5 1042 1 1 10 . HB3 H -5.049 -3.843 -0.185 1.00 . A A . 10 HHK HB3 1 1
5 1043 1 1 10 . HD2 H -7.485 -0.641 -1.159 1.00 . A A . 10 HHK HD2 1 1
5 1044 1 1 10 . HD3 H -6.009 -0.165 -0.345 1.00 . A A . 10 HHK HD3 1 1
5 1045 1 1 10 . HE2 H -5.540 -2.221 -2.417 1.00 . A A . 10 HHK HE2 1 1
5 1046 1 1 10 . HE3 H -6.262 -0.765 -3.070 1.00 . A A . 10 HHK HE3 1 1
5 1047 1 1 10 . HG2 H -7.106 -2.997 -0.628 1.00 . A A . 10 HHK HG2 1 1
5 1048 1 1 10 . HG3 H -6.984 -2.062 0.849 1.00 . A A . 10 HHK HG3 1 1
5 1049 1 1 10 . HH2 H -2.868 0.616 -3.733 1.00 . A A . 10 HHK HH2 1 1
5 1050 1 1 10 . HT1 H -3.745 -2.064 -3.421 1.00 . A A . 10 HHK HT1 1 1
5 1051 1 1 10 . HT2 H -2.516 -1.581 -2.277 1.00 . A A . 10 HHK HT2 1 1
5 1052 1 1 10 . HZ2 H -4.419 0.546 -2.540 1.00 . A A . 10 HHK HZ2 1 1
5 1053 1 1 10 . HZ3 H -4.025 -0.382 -1.114 1.00 . A A . 10 HHK HZ3 1 1
5 1054 1 1 10 . N N -4.124 -1.344 1.839 1.00 . A A . 10 HHK N 1 1
5 1055 1 1 10 . NH N -2.671 -0.348 -3.962 1.00 . A A . 10 HHK NH 1 1
5 1056 1 1 10 . O O -3.940 -4.442 3.014 1.00 . A A . 10 HHK O 1 1
5 1057 1 1 11 SER C C -1.981 -6.175 1.205 1.00 . A A . 11 SER C 1 1
5 1058 1 1 11 SER CA C -1.544 -4.776 1.647 1.00 . A A . 11 SER CA 1 1
5 1059 1 1 11 SER CB C -1.228 -4.769 3.145 1.00 . A A . 11 SER CB 1 1
5 1060 1 1 11 SER H H -2.379 -3.225 0.536 1.00 . A A . 11 SER H 1 1
5 1061 1 1 11 SER HA H -0.664 -4.456 1.089 1.00 . A A . 11 SER HA 1 1
5 1062 1 1 11 SER HB3 H -0.241 -5.200 3.308 1.00 . A A . 11 SER HB3 1 1
5 1063 1 1 11 SER HG H -2.214 -3.184 3.867 1.00 . A A . 11 SER HG 1 1
5 1064 1 1 11 SER N N -2.577 -3.808 1.324 1.00 . A A . 11 SER N 1 1
5 1065 1 1 11 SER O O -2.991 -6.692 1.679 1.00 . A A . 11 SER O 1 1
5 1066 1 1 11 SER OG O -1.266 -3.453 3.690 1.00 . A A . 11 SER OG 1 1
5 1067 1 1 12 CYS C C -2.821 -8.015 -0.966 1.00 . A A . 12 CYS C 1 1
5 1068 1 1 12 CYS CA C -1.491 -8.074 -0.211 1.00 . A A . 12 CYS CA 1 1
5 1069 1 1 12 CYS CB C -1.514 -9.118 0.906 1.00 . A A . 12 CYS CB 1 1
5 1070 1 1 12 CYS H H -0.378 -6.319 -0.079 1.00 . A A . 12 CYS H 1 1
5 1071 1 1 12 CYS HA H -0.676 -8.337 -0.886 1.00 . A A . 12 CYS HA 1 1
5 1072 1 1 12 CYS HB3 H -1.195 -10.077 0.496 1.00 . A A . 12 CYS HB3 1 1
5 1073 1 1 12 CYS N N -1.198 -6.745 0.300 1.00 . A A . 12 CYS N 1 1
5 1074 1 1 12 CYS O O -3.795 -8.651 -0.563 1.00 . A A . 12 CYS O 1 1
5 1075 1 1 12 CYS SG S -0.462 -8.721 2.351 1.00 . A A . 12 CYS SG 1 1
6 1076 1 1 1 TYR C C 5.334 -6.439 1.858 1.00 . A A . 1 TYR C 1 1
6 1077 1 1 1 TYR CA C 6.504 -5.610 2.393 1.00 . A A . 1 TYR CA 1 1
6 1078 1 1 1 TYR CB C 6.893 -4.564 1.347 1.00 . A A . 1 TYR CB 1 1
6 1079 1 1 1 TYR CD1 C 8.842 -3.585 2.613 1.00 . A A . 1 TYR CD1 1 1
6 1080 1 1 1 TYR CD2 C 7.200 -2.091 1.731 1.00 . A A . 1 TYR CD2 1 1
6 1081 1 1 1 TYR CE1 C 9.574 -2.467 3.148 1.00 . A A . 1 TYR CE1 1 1
6 1082 1 1 1 TYR CE2 C 7.930 -0.972 2.266 1.00 . A A . 1 TYR CE2 1 1
6 1083 1 1 1 TYR CG C 7.671 -3.374 1.915 1.00 . A A . 1 TYR CG 1 1
6 1084 1 1 1 TYR CZ C 9.082 -1.215 2.948 1.00 . A A . 1 TYR CZ 1 1
6 1085 1 1 1 TYR H1 H 8.056 -6.426 3.518 1.00 . A A . 1 TYR H1 1 1
6 1086 1 1 1 TYR HA H 6.226 -5.185 3.357 1.00 . A A . 1 TYR HA 1 1
6 1087 1 1 1 TYR HB3 H 5.989 -4.195 0.862 1.00 . A A . 1 TYR HB3 1 1
6 1088 1 1 1 TYR HD1 H 9.214 -4.600 2.760 1.00 . A A . 1 TYR HD1 1 1
6 1089 1 1 1 TYR HD2 H 6.274 -1.923 1.179 1.00 . A A . 1 TYR HD2 1 1
6 1090 1 1 1 TYR HE1 H 10.501 -2.619 3.701 1.00 . A A . 1 TYR HE1 1 1
6 1091 1 1 1 TYR HE2 H 7.570 0.048 2.127 1.00 . A A . 1 TYR HE2 1 1
6 1092 1 1 1 TYR HH H 9.740 -0.174 4.453 1.00 . A A . 1 TYR HH 1 1
6 1093 1 1 1 TYR N N 7.681 -6.437 2.590 1.00 . A A . 1 TYR N 1 1
6 1094 1 1 1 TYR O O 5.422 -7.663 1.780 1.00 . A A . 1 TYR O 1 1
6 1095 1 1 1 TYR OH O 9.773 -0.157 3.454 1.00 . A A . 1 TYR OH 1 1
6 1096 1 1 2 CYS C C 2.491 -5.508 -0.122 1.00 . A A . 2 CYS C 1 1
6 1097 1 1 2 CYS CA C 3.083 -6.394 0.977 1.00 . A A . 2 CYS CA 1 1
6 1098 1 1 2 CYS CB C 2.065 -6.692 2.079 1.00 . A A . 2 CYS CB 1 1
6 1099 1 1 2 CYS H H 4.205 -4.743 1.569 1.00 . A A . 2 CYS H 1 1
6 1100 1 1 2 CYS HA H 3.409 -7.350 0.567 1.00 . A A . 2 CYS HA 1 1
6 1101 1 1 2 CYS HB3 H 1.297 -5.918 2.066 1.00 . A A . 2 CYS HB3 1 1
6 1102 1 1 2 CYS N N 4.267 -5.737 1.502 1.00 . A A . 2 CYS N 1 1
6 1103 1 1 2 CYS O O 2.629 -5.809 -1.307 1.00 . A A . 2 CYS O 1 1
6 1104 1 1 2 CYS SG S 1.252 -8.326 1.950 1.00 . A A . 2 CYS SG 1 1
6 1105 1 1 3 LYS C C 0.668 -2.312 0.154 1.00 . A A . 3 LYS C 1 1
6 1106 1 1 3 LYS CA C 1.233 -3.505 -0.621 1.00 . A A . 3 LYS CA 1 1
6 1107 1 1 3 LYS CB C 0.199 -4.219 -1.491 1.00 . A A . 3 LYS CB 1 1
6 1108 1 1 3 LYS CD C 1.045 -4.431 -3.856 1.00 . A A . 3 LYS CD 1 1
6 1109 1 1 3 LYS CE C 1.425 -3.600 -5.084 1.00 . A A . 3 LYS CE 1 1
6 1110 1 1 3 LYS CG C 0.163 -3.626 -2.900 1.00 . A A . 3 LYS CG 1 1
6 1111 1 1 3 LYS H H 1.740 -4.198 1.276 1.00 . A A . 3 LYS H 1 1
6 1112 1 1 3 LYS HA H 2.018 -3.142 -1.285 1.00 . A A . 3 LYS HA 1 1
6 1113 1 1 3 LYS HB3 H -0.787 -4.136 -1.032 1.00 . A A . 3 LYS HB3 1 1
6 1114 1 1 3 LYS HD3 H 0.517 -5.333 -4.172 1.00 . A A . 3 LYS HD3 1 1
6 1115 1 1 3 LYS HE3 H 1.895 -2.669 -4.767 1.00 . A A . 3 LYS HE3 1 1
6 1116 1 1 3 LYS HG3 H 0.503 -2.591 -2.874 1.00 . A A . 3 LYS HG3 1 1
6 1117 1 1 3 LYS HZ1 H 2.411 -5.335 -5.689 1.00 . A A . 3 LYS HZ1 1 1
6 1118 1 1 3 LYS HZ2 H 2.061 -4.336 -6.927 1.00 . A A . 3 LYS HZ2 1 1
6 1119 1 1 3 LYS N N 1.846 -4.435 0.311 1.00 . A A . 3 LYS N 1 1
6 1120 1 1 3 LYS NZ N 2.351 -4.358 -5.955 1.00 . A A . 3 LYS NZ 1 1
6 1121 1 1 3 LYS O O -0.481 -1.923 -0.052 1.00 . A A . 3 LYS O 1 1
6 1122 1 1 4 PHE C C 0.376 0.420 0.983 1.00 . A A . 4 PHE C 1 1
6 1123 1 1 4 PHE CA C 1.096 -0.628 1.835 1.00 . A A . 4 PHE CA 1 1
6 1124 1 1 4 PHE CB C 2.374 -0.009 2.406 1.00 . A A . 4 PHE CB 1 1
6 1125 1 1 4 PHE CD1 C 2.576 -1.817 4.126 1.00 . A A . 4 PHE CD1 1 1
6 1126 1 1 4 PHE CD2 C 3.205 0.369 4.738 1.00 . A A . 4 PHE CD2 1 1
6 1127 1 1 4 PHE CE1 C 2.908 -2.277 5.429 1.00 . A A . 4 PHE CE1 1 1
6 1128 1 1 4 PHE CE2 C 3.537 -0.090 6.041 1.00 . A A . 4 PHE CE2 1 1
6 1129 1 1 4 PHE CG C 2.733 -0.505 3.809 1.00 . A A . 4 PHE CG 1 1
6 1130 1 1 4 PHE CZ C 3.382 -1.402 6.359 1.00 . A A . 4 PHE CZ 1 1
6 1131 1 1 4 PHE H H 2.432 -2.090 1.190 1.00 . A A . 4 PHE H 1 1
6 1132 1 1 4 PHE HA H 0.419 -0.997 2.603 1.00 . A A . 4 PHE HA 1 1
6 1133 1 1 4 PHE HB3 H 2.261 1.076 2.432 1.00 . A A . 4 PHE HB3 1 1
6 1134 1 1 4 PHE HD1 H 2.197 -2.517 3.382 1.00 . A A . 4 PHE HD1 1 1
6 1135 1 1 4 PHE HD2 H 3.331 1.422 4.484 1.00 . A A . 4 PHE HD2 1 1
6 1136 1 1 4 PHE HE1 H 2.783 -3.329 5.684 1.00 . A A . 4 PHE HE1 1 1
6 1137 1 1 4 PHE HE2 H 3.917 0.611 6.784 1.00 . A A . 4 PHE HE2 1 1
6 1138 1 1 4 PHE HZ H 3.636 -1.756 7.358 1.00 . A A . 4 PHE HZ 1 1
6 1139 1 1 4 PHE N N 1.500 -1.766 1.028 1.00 . A A . 4 PHE N 1 1
6 1140 1 1 4 PHE O O -0.528 1.102 1.466 1.00 . A A . 4 PHE O 1 1
6 1141 1 1 5 GLU C C 0.703 2.879 -0.891 1.00 . A A . 5 GLU C 1 1
6 1142 1 1 5 GLU CA C 0.204 1.464 -1.191 1.00 . A A . 5 GLU CA 1 1
6 1143 1 1 5 GLU CB C -1.324 1.400 -1.137 1.00 . A A . 5 GLU CB 1 1
6 1144 1 1 5 GLU CD C -2.408 2.235 -3.255 1.00 . A A . 5 GLU CD 1 1
6 1145 1 1 5 GLU CG C -1.906 1.004 -2.496 1.00 . A A . 5 GLU CG 1 1
6 1146 1 1 5 GLU H H 1.533 -0.047 -0.653 1.00 . A A . 5 GLU H 1 1
6 1147 1 1 5 GLU HA H 0.539 1.156 -2.182 1.00 . A A . 5 GLU HA 1 1
6 1148 1 1 5 GLU HB2 H -1.634 0.677 -0.381 1.00 . A A . 5 GLU HB2 1 1
6 1149 1 1 5 GLU HB3 H -1.722 2.367 -0.834 1.00 . A A . 5 GLU HB3 1 1
6 1150 1 1 5 GLU HG2 H -1.144 0.494 -3.086 1.00 . A A . 5 GLU HG2 1 1
6 1151 1 1 5 GLU HG3 H -2.724 0.301 -2.355 1.00 . A A . 5 GLU HG3 1 1
6 1152 1 1 5 GLU N N 0.800 0.513 -0.268 1.00 . A A . 5 GLU N 1 1
6 1153 1 1 5 GLU O O 1.524 3.073 0.005 1.00 . A A . 5 GLU O 1 1
6 1154 1 1 5 GLU OE1 O -1.605 2.961 -3.859 1.00 . A A . 5 GLU OE1 1 1
6 1155 1 1 6 DTR C C 0.201 5.638 -0.060 1.00 . A A . 6 DTR C 1 1
6 1156 1 1 6 DTR CA C 0.572 5.220 -1.483 1.00 . A A . 6 DTR CA 1 1
6 1157 1 1 6 DTR CB C 2.086 5.314 -1.678 1.00 . A A . 6 DTR CB 1 1
6 1158 1 1 6 DTR CD1 C 2.365 3.529 -3.522 1.00 . A A . 6 DTR CD1 1 1
6 1159 1 1 6 DTR CD2 C 3.381 5.441 -3.994 1.00 . A A . 6 DTR CD2 1 1
6 1160 1 1 6 DTR CE2 C 3.605 4.581 -5.051 1.00 . A A . 6 DTR CE2 1 1
6 1161 1 1 6 DTR CE3 C 3.901 6.747 -3.989 1.00 . A A . 6 DTR CE3 1 1
6 1162 1 1 6 DTR CG C 2.578 4.750 -3.013 1.00 . A A . 6 DTR CG 1 1
6 1163 1 1 6 DTR CH2 C 4.881 6.231 -6.196 1.00 . A A . 6 DTR CH2 1 1
6 1164 1 1 6 DTR CZ2 C 4.354 4.934 -6.180 1.00 . A A . 6 DTR CZ2 1 1
6 1165 1 1 6 DTR CZ3 C 4.646 7.083 -5.125 1.00 . A A . 6 DTR CZ3 1 1
6 1166 1 1 6 DTR H H -0.479 3.662 -2.382 1.00 . A A . 6 DTR H 1 1
6 1167 1 1 6 DTR HA H 0.113 5.849 -2.246 1.00 . A A . 6 DTR HA 1 1
6 1168 1 1 6 DTR HB2 H 2.388 6.359 -1.605 1.00 . A A . 6 DTR HB2 1 1
6 1169 1 1 6 DTR HB3 H 2.581 4.782 -0.867 1.00 . A A . 6 DTR HB3 1 1
6 1170 1 1 6 DTR HD1 H 1.786 2.751 -3.024 1.00 . A A . 6 DTR HD1 1 1
6 1171 1 1 6 DTR HE1 H 2.948 2.490 -5.380 1.00 . A A . 6 DTR HE1 1 1
6 1172 1 1 6 DTR HE3 H 3.737 7.443 -3.168 1.00 . A A . 6 DTR HE3 1 1
6 1173 1 1 6 DTR HH2 H 5.473 6.570 -7.046 1.00 . A A . 6 DTR HH2 1 1
6 1174 1 1 6 DTR HZ2 H 4.518 4.237 -7.001 1.00 . A A . 6 DTR HZ2 1 1
6 1175 1 1 6 DTR HZ3 H 5.072 8.086 -5.172 1.00 . A A . 6 DTR HZ3 1 1
6 1176 1 1 6 DTR N N 0.188 3.829 -1.656 1.00 . A A . 6 DTR N 1 1
6 1177 1 1 6 DTR NE1 N 2.968 3.382 -4.753 1.00 . A A . 6 DTR NE1 1 1
6 1178 1 1 6 DTR O O 1.066 5.732 0.809 1.00 . A A . 6 DTR O 1 1
6 1179 1 1 7 IAM C C -2.350 5.148 2.114 1.00 . A A . 7 IAM C 1 1
6 1180 1 1 7 IAM CA C -1.584 6.288 1.438 1.00 . A A . 7 IAM CA 1 1
6 1181 1 1 7 IAM CB C -2.540 7.460 1.207 1.00 . A A . 7 IAM CB 1 1
6 1182 1 1 7 IAM CD1 C -4.772 6.738 0.329 1.00 . A A . 7 IAM CD1 1 1
6 1183 1 1 7 IAM CD2 C -3.179 7.537 -1.212 1.00 . A A . 7 IAM CD2 1 1
6 1184 1 1 7 IAM CE1 C -5.695 6.531 -0.730 1.00 . A A . 7 IAM CE1 1 1
6 1185 1 1 7 IAM CE2 C -4.102 7.330 -2.273 1.00 . A A . 7 IAM CE2 1 1
6 1186 1 1 7 IAM CG C -3.533 7.236 0.065 1.00 . A A . 7 IAM CG 1 1
6 1187 1 1 7 IAM CI C -6.539 5.237 -5.311 1.00 . A A . 7 IAM CI 1 1
6 1188 1 1 7 IAM CK1 C -5.738 4.174 -6.087 1.00 . A A . 7 IAM CK1 1 1
6 1189 1 1 7 IAM CK2 C -6.913 6.392 -6.257 1.00 . A A . 7 IAM CK2 1 1
6 1190 1 1 7 IAM CT C -6.341 6.608 -3.156 1.00 . A A . 7 IAM CT 1 1
6 1191 1 1 7 IAM CZ C -5.339 6.831 -2.008 1.00 . A A . 7 IAM CZ 1 1
6 1192 1 1 7 IAM H H -1.785 5.801 -0.578 1.00 . A A . 7 IAM H 1 1
6 1193 1 1 7 IAM HA H -0.718 6.553 2.046 1.00 . A A . 7 IAM HA 1 1
6 1194 1 1 7 IAM HB H -3.093 7.650 2.125 1.00 . A A . 7 IAM HB 1 1
6 1195 1 1 7 IAM HB1 H -1.956 8.355 0.997 1.00 . A A . 7 IAM HB1 1 1
6 1196 1 1 7 IAM HD1 H -5.054 6.498 1.354 1.00 . A A . 7 IAM HD1 1 1
6 1197 1 1 7 IAM HD2 H -2.187 7.935 -1.424 1.00 . A A . 7 IAM HD2 1 1
6 1198 1 1 7 IAM HE1 H -6.687 6.135 -0.519 1.00 . A A . 7 IAM HE1 1 1
6 1199 1 1 7 IAM HE2 H -3.819 7.571 -3.297 1.00 . A A . 7 IAM HE2 1 1
6 1200 1 1 7 IAM HH H -4.728 5.487 -4.113 1.00 . A A . 7 IAM HH 1 1
6 1201 1 1 7 IAM HI H -7.438 4.799 -4.932 1.00 . A A . 7 IAM HI 1 1
6 1202 1 1 7 IAM HK11 H -4.846 4.616 -6.481 1.00 . A A . 7 IAM HK11 1 1
6 1203 1 1 7 IAM HK12 H -5.477 3.371 -5.429 1.00 . A A . 7 IAM HK12 1 1
6 1204 1 1 7 IAM HK13 H -6.334 3.796 -6.892 1.00 . A A . 7 IAM HK13 1 1
6 1205 1 1 7 IAM HK21 H -7.974 6.522 -6.259 1.00 . A A . 7 IAM HK21 1 1
6 1206 1 1 7 IAM HK22 H -6.443 7.293 -5.924 1.00 . A A . 7 IAM HK22 1 1
6 1207 1 1 7 IAM HK23 H -6.582 6.163 -7.249 1.00 . A A . 7 IAM HK23 1 1
6 1208 1 1 7 IAM HT1 H -6.599 7.552 -3.591 1.00 . A A . 7 IAM HT1 1 1
6 1209 1 1 7 IAM HT2 H -7.224 6.137 -2.775 1.00 . A A . 7 IAM HT2 1 1
6 1210 1 1 7 IAM N N -1.088 5.879 0.134 1.00 . A A . 7 IAM N 1 1
6 1211 1 1 7 IAM NH N -5.725 5.741 -4.183 1.00 . A A . 7 IAM NH 1 1
6 1212 1 1 7 IAM O O -2.183 4.908 3.309 1.00 . A A . 7 IAM O 1 1
6 1213 1 1 8 THR C C -3.057 2.330 2.495 1.00 . A A . 8 THR C 1 1
6 1214 1 1 8 THR CA C -3.962 3.368 1.827 1.00 . A A . 8 THR CA 1 1
6 1215 1 1 8 THR CB C -4.782 2.803 0.665 1.00 . A A . 8 THR CB 1 1
6 1216 1 1 8 THR CG2 C -5.870 3.769 0.191 1.00 . A A . 8 THR CG2 1 1
6 1217 1 1 8 THR H H -3.299 4.679 0.349 1.00 . A A . 8 THR H 1 1
6 1218 1 1 8 THR HA H -4.634 3.749 2.595 1.00 . A A . 8 THR HA 1 1
6 1219 1 1 8 THR HB H -5.207 1.833 0.925 1.00 . A A . 8 THR HB 1 1
6 1220 1 1 8 THR HG1 H -3.624 1.810 -0.630 1.00 . A A . 8 THR HG1 1 1
6 1221 1 1 8 THR HG21 H -6.833 3.259 0.195 1.00 . A A . 8 THR HG21 1 1
6 1222 1 1 8 THR HG22 H -5.910 4.627 0.862 1.00 . A A . 8 THR HG22 1 1
6 1223 1 1 8 THR HG23 H -5.641 4.108 -0.819 1.00 . A A . 8 THR HG23 1 1
6 1224 1 1 8 THR N N -3.170 4.476 1.320 1.00 . A A . 8 THR N 1 1
6 1225 1 1 8 THR O O -1.885 2.594 2.750 1.00 . A A . 8 THR O 1 1
6 1226 1 1 8 THR OG1 O -3.860 2.758 -0.421 1.00 . A A . 8 THR OG1 1 1
6 1227 1 1 9 PHE C C -3.501 -1.271 3.029 1.00 . A A . 9 PHE C 1 1
6 1228 1 1 9 PHE CA C -2.902 0.089 3.392 1.00 . A A . 9 PHE CA 1 1
6 1229 1 1 9 PHE CB C -3.017 0.296 4.903 1.00 . A A . 9 PHE CB 1 1
6 1230 1 1 9 PHE CD1 C -0.734 1.216 5.373 1.00 . A A . 9 PHE CD1 1 1
6 1231 1 1 9 PHE CD2 C -1.421 -0.702 6.557 1.00 . A A . 9 PHE CD2 1 1
6 1232 1 1 9 PHE CE1 C 0.511 1.191 6.055 1.00 . A A . 9 PHE CE1 1 1
6 1233 1 1 9 PHE CE2 C -0.177 -0.727 7.239 1.00 . A A . 9 PHE CE2 1 1
6 1234 1 1 9 PHE CG C -1.674 0.269 5.639 1.00 . A A . 9 PHE CG 1 1
6 1235 1 1 9 PHE CZ C 0.764 0.219 6.974 1.00 . A A . 9 PHE CZ 1 1
6 1236 1 1 9 PHE H H -4.595 0.961 2.547 1.00 . A A . 9 PHE H 1 1
6 1237 1 1 9 PHE HA H -1.877 0.142 3.028 1.00 . A A . 9 PHE HA 1 1
6 1238 1 1 9 PHE HB3 H -3.661 -0.478 5.318 1.00 . A A . 9 PHE HB3 1 1
6 1239 1 1 9 PHE HD1 H -0.937 1.993 4.638 1.00 . A A . 9 PHE HD1 1 1
6 1240 1 1 9 PHE HD2 H -2.175 -1.462 6.769 1.00 . A A . 9 PHE HD2 1 1
6 1241 1 1 9 PHE HE1 H 1.264 1.948 5.843 1.00 . A A . 9 PHE HE1 1 1
6 1242 1 1 9 PHE HE2 H 0.026 -1.505 7.975 1.00 . A A . 9 PHE HE2 1 1
6 1243 1 1 9 PHE HZ H 1.719 0.200 7.498 1.00 . A A . 9 PHE HZ 1 1
6 1244 1 1 9 PHE N N -3.640 1.169 2.758 1.00 . A A . 9 PHE N 1 1
6 1245 1 1 9 PHE O O -3.495 -2.193 3.844 1.00 . A A . 9 PHE O 1 1
6 1246 1 1 10 . C C -3.670 -3.757 1.629 1.00 . A A . 10 HHK C 1 1
6 1247 1 1 10 . CA C -4.606 -2.585 1.326 1.00 . A A . 10 HHK CA 1 1
6 1248 1 1 10 . CB C -4.975 -2.460 -0.154 1.00 . A A . 10 HHK CB 1 1
6 1249 1 1 10 . CD C -6.975 -0.935 -0.351 1.00 . A A . 10 HHK CD 1 1
6 1250 1 1 10 . CE C -6.764 -0.303 -1.729 1.00 . A A . 10 HHK CE 1 1
6 1251 1 1 10 . CG C -6.493 -2.389 -0.337 1.00 . A A . 10 HHK CG 1 1
6 1252 1 1 10 . CT C -5.353 1.293 -3.065 1.00 . A A . 10 HHK CT 1 1
6 1253 1 1 10 . CZ C -5.640 0.744 -1.656 1.00 . A A . 10 HHK CZ 1 1
6 1254 1 1 10 . H H -4.007 -0.599 1.150 1.00 . A A . 10 HHK H 1 1
6 1255 1 1 10 . HA H -5.535 -2.733 1.877 1.00 . A A . 10 HHK HA 1 1
6 1256 1 1 10 . HB2 H -4.512 -1.566 -0.575 1.00 . A A . 10 HHK HB2 1 1
6 1257 1 1 10 . HB3 H -4.579 -3.312 -0.705 1.00 . A A . 10 HHK HB3 1 1
6 1258 1 1 10 . HD2 H -8.032 -0.898 -0.090 1.00 . A A . 10 HHK HD2 1 1
6 1259 1 1 10 . HD3 H -6.437 -0.362 0.401 1.00 . A A . 10 HHK HD3 1 1
6 1260 1 1 10 . HE2 H -6.512 -1.075 -2.456 1.00 . A A . 10 HHK HE2 1 1
6 1261 1 1 10 . HE3 H -7.690 0.163 -2.068 1.00 . A A . 10 HHK HE3 1 1
6 1262 1 1 10 . HG2 H -6.774 -2.879 -1.269 1.00 . A A . 10 HHK HG2 1 1
6 1263 1 1 10 . HG3 H -6.986 -2.931 0.471 1.00 . A A . 10 HHK HG3 1 1
6 1264 1 1 10 . HH2 H -4.522 2.841 -2.011 1.00 . A A . 10 HHK HH2 1 1
6 1265 1 1 10 . HT1 H -6.278 1.543 -3.545 1.00 . A A . 10 HHK HT1 1 1
6 1266 1 1 10 . HT2 H -4.845 0.548 -3.639 1.00 . A A . 10 HHK HT2 1 1
6 1267 1 1 10 . HZ2 H -5.941 1.544 -1.013 1.00 . A A . 10 HHK HZ2 1 1
6 1268 1 1 10 . HZ3 H -4.753 0.289 -1.262 1.00 . A A . 10 HHK HZ3 1 1
6 1269 1 1 10 . N N -4.005 -1.353 1.807 1.00 . A A . 10 HHK N 1 1
6 1270 1 1 10 . NH N -4.508 2.500 -2.961 1.00 . A A . 10 HHK NH 1 1
6 1271 1 1 10 . O O -4.110 -4.797 2.117 1.00 . A A . 10 HHK O 1 1
6 1272 1 1 11 SER C C -1.726 -5.826 0.745 1.00 . A A . 11 SER C 1 1
6 1273 1 1 11 SER CA C -1.396 -4.575 1.562 1.00 . A A . 11 SER CA 1 1
6 1274 1 1 11 SER CB C -1.300 -4.922 3.049 1.00 . A A . 11 SER CB 1 1
6 1275 1 1 11 SER H H -2.047 -2.700 0.931 1.00 . A A . 11 SER H 1 1
6 1276 1 1 11 SER HA H -0.453 -4.140 1.230 1.00 . A A . 11 SER HA 1 1
6 1277 1 1 11 SER HB3 H -1.182 -6.000 3.161 1.00 . A A . 11 SER HB3 1 1
6 1278 1 1 11 SER HG H 0.579 -4.234 3.071 1.00 . A A . 11 SER HG 1 1
6 1279 1 1 11 SER N N -2.397 -3.549 1.327 1.00 . A A . 11 SER N 1 1
6 1280 1 1 11 SER O O -2.896 -6.159 0.559 1.00 . A A . 11 SER O 1 1
6 1281 1 1 11 SER OG O -0.212 -4.257 3.684 1.00 . A A . 11 SER OG 1 1
6 1282 1 1 12 CYS C C -1.535 -8.744 0.351 1.00 . A A . 12 CYS C 1 1
6 1283 1 1 12 CYS CA C -0.839 -7.691 -0.515 1.00 . A A . 12 CYS CA 1 1
6 1284 1 1 12 CYS CB C 0.497 -8.194 -1.063 1.00 . A A . 12 CYS CB 1 1
6 1285 1 1 12 CYS H H 0.271 -6.206 0.433 1.00 . A A . 12 CYS H 1 1
6 1286 1 1 12 CYS HA H -1.460 -7.421 -1.369 1.00 . A A . 12 CYS HA 1 1
6 1287 1 1 12 CYS HB3 H 1.061 -7.342 -1.443 1.00 . A A . 12 CYS HB3 1 1
6 1288 1 1 12 CYS N N -0.675 -6.483 0.277 1.00 . A A . 12 CYS N 1 1
6 1289 1 1 12 CYS O O -1.733 -9.876 -0.084 1.00 . A A . 12 CYS O 1 1
6 1290 1 1 12 CYS SG S 1.534 -9.092 0.148 1.00 . A A . 12 CYS SG 1 1
7 1291 1 1 1 TYR C C 4.876 -7.730 0.255 1.00 . A A . 1 TYR C 1 1
7 1292 1 1 1 TYR CA C 6.332 -8.185 0.374 1.00 . A A . 1 TYR CA 1 1
7 1293 1 1 1 TYR CB C 7.240 -6.953 0.377 1.00 . A A . 1 TYR CB 1 1
7 1294 1 1 1 TYR CD1 C 9.509 -7.834 -0.278 1.00 . A A . 1 TYR CD1 1 1
7 1295 1 1 1 TYR CD2 C 9.227 -6.966 1.931 1.00 . A A . 1 TYR CD2 1 1
7 1296 1 1 1 TYR CE1 C 10.888 -8.124 0.012 1.00 . A A . 1 TYR CE1 1 1
7 1297 1 1 1 TYR CE2 C 10.606 -7.256 2.221 1.00 . A A . 1 TYR CE2 1 1
7 1298 1 1 1 TYR CG C 8.707 -7.262 0.687 1.00 . A A . 1 TYR CG 1 1
7 1299 1 1 1 TYR CZ C 11.370 -7.821 1.248 1.00 . A A . 1 TYR CZ 1 1
7 1300 1 1 1 TYR H1 H 6.138 -9.752 -0.983 1.00 . A A . 1 TYR H1 1 1
7 1301 1 1 1 TYR HA H 6.438 -8.810 1.259 1.00 . A A . 1 TYR HA 1 1
7 1302 1 1 1 TYR HB3 H 6.866 -6.241 1.115 1.00 . A A . 1 TYR HB3 1 1
7 1303 1 1 1 TYR HD1 H 9.098 -8.067 -1.261 1.00 . A A . 1 TYR HD1 1 1
7 1304 1 1 1 TYR HD2 H 8.592 -6.514 2.693 1.00 . A A . 1 TYR HD2 1 1
7 1305 1 1 1 TYR HE1 H 11.534 -8.578 -0.741 1.00 . A A . 1 TYR HE1 1 1
7 1306 1 1 1 TYR HE2 H 11.030 -7.028 3.199 1.00 . A A . 1 TYR HE2 1 1
7 1307 1 1 1 TYR HH H 12.738 -8.658 2.346 1.00 . A A . 1 TYR HH 1 1
7 1308 1 1 1 TYR N N 6.729 -8.970 -0.781 1.00 . A A . 1 TYR N 1 1
7 1309 1 1 1 TYR O O 4.200 -8.051 -0.722 1.00 . A A . 1 TYR O 1 1
7 1310 1 1 1 TYR OH O 12.673 -8.096 1.522 1.00 . A A . 1 TYR OH 1 1
7 1311 1 1 2 CYS C C 3.052 -5.125 0.592 1.00 . A A . 2 CYS C 1 1
7 1312 1 1 2 CYS CA C 3.073 -6.489 1.282 1.00 . A A . 2 CYS CA 1 1
7 1313 1 1 2 CYS CB C 2.517 -6.415 2.706 1.00 . A A . 2 CYS CB 1 1
7 1314 1 1 2 CYS H H 4.991 -6.736 2.053 1.00 . A A . 2 CYS H 1 1
7 1315 1 1 2 CYS HA H 2.465 -7.211 0.734 1.00 . A A . 2 CYS HA 1 1
7 1316 1 1 2 CYS HB3 H 2.121 -5.415 2.875 1.00 . A A . 2 CYS HB3 1 1
7 1317 1 1 2 CYS N N 4.435 -6.991 1.262 1.00 . A A . 2 CYS N 1 1
7 1318 1 1 2 CYS O O 2.802 -5.037 -0.611 1.00 . A A . 2 CYS O 1 1
7 1319 1 1 2 CYS SG S 1.207 -7.636 3.084 1.00 . A A . 2 CYS SG 1 1
7 1320 1 1 3 LYS C C 1.909 -2.185 0.842 1.00 . A A . 3 LYS C 1 1
7 1321 1 1 3 LYS CA C 3.335 -2.738 0.857 1.00 . A A . 3 LYS CA 1 1
7 1322 1 1 3 LYS CB C 4.025 -2.697 -0.508 1.00 . A A . 3 LYS CB 1 1
7 1323 1 1 3 LYS CD C 4.353 -0.887 -2.236 1.00 . A A . 3 LYS CD 1 1
7 1324 1 1 3 LYS CE C 3.711 0.500 -2.296 1.00 . A A . 3 LYS CE 1 1
7 1325 1 1 3 LYS CG C 4.609 -1.311 -0.787 1.00 . A A . 3 LYS CG 1 1
7 1326 1 1 3 LYS H H 3.523 -4.173 2.355 1.00 . A A . 3 LYS H 1 1
7 1327 1 1 3 LYS HA H 3.934 -2.133 1.538 1.00 . A A . 3 LYS HA 1 1
7 1328 1 1 3 LYS HB3 H 3.309 -2.958 -1.288 1.00 . A A . 3 LYS HB3 1 1
7 1329 1 1 3 LYS HD3 H 3.702 -1.615 -2.720 1.00 . A A . 3 LYS HD3 1 1
7 1330 1 1 3 LYS HE3 H 4.439 1.257 -2.005 1.00 . A A . 3 LYS HE3 1 1
7 1331 1 1 3 LYS HG3 H 5.681 -1.318 -0.591 1.00 . A A . 3 LYS HG3 1 1
7 1332 1 1 3 LYS HZ1 H 2.437 0.179 -3.914 1.00 . A A . 3 LYS HZ1 1 1
7 1333 1 1 3 LYS HZ2 H 2.884 1.736 -3.756 1.00 . A A . 3 LYS HZ2 1 1
7 1334 1 1 3 LYS N N 3.319 -4.094 1.378 1.00 . A A . 3 LYS N 1 1
7 1335 1 1 3 LYS NZ N 3.212 0.781 -3.659 1.00 . A A . 3 LYS NZ 1 1
7 1336 1 1 3 LYS O O 1.041 -2.713 0.149 1.00 . A A . 3 LYS O 1 1
7 1337 1 1 4 PHE C C 0.105 0.318 0.443 1.00 . A A . 4 PHE C 1 1
7 1338 1 1 4 PHE CA C 0.403 -0.498 1.702 1.00 . A A . 4 PHE CA 1 1
7 1339 1 1 4 PHE CB C 0.438 0.441 2.908 1.00 . A A . 4 PHE CB 1 1
7 1340 1 1 4 PHE CD1 C -0.730 -1.084 4.515 1.00 . A A . 4 PHE CD1 1 1
7 1341 1 1 4 PHE CD2 C 1.296 -0.097 5.198 1.00 . A A . 4 PHE CD2 1 1
7 1342 1 1 4 PHE CE1 C -0.830 -1.747 5.766 1.00 . A A . 4 PHE CE1 1 1
7 1343 1 1 4 PHE CE2 C 1.197 -0.761 6.450 1.00 . A A . 4 PHE CE2 1 1
7 1344 1 1 4 PHE CG C 0.330 -0.272 4.256 1.00 . A A . 4 PHE CG 1 1
7 1345 1 1 4 PHE CZ C 0.135 -1.572 6.709 1.00 . A A . 4 PHE CZ 1 1
7 1346 1 1 4 PHE H H 2.420 -0.706 2.179 1.00 . A A . 4 PHE H 1 1
7 1347 1 1 4 PHE HA H -0.335 -1.295 1.799 1.00 . A A . 4 PHE HA 1 1
7 1348 1 1 4 PHE HB3 H -0.381 1.157 2.823 1.00 . A A . 4 PHE HB3 1 1
7 1349 1 1 4 PHE HD1 H -1.505 -1.225 3.760 1.00 . A A . 4 PHE HD1 1 1
7 1350 1 1 4 PHE HD2 H 2.146 0.553 4.992 1.00 . A A . 4 PHE HD2 1 1
7 1351 1 1 4 PHE HE1 H -1.681 -2.399 5.972 1.00 . A A . 4 PHE HE1 1 1
7 1352 1 1 4 PHE HE2 H 1.971 -0.620 7.205 1.00 . A A . 4 PHE HE2 1 1
7 1353 1 1 4 PHE HZ H 0.060 -2.081 7.669 1.00 . A A . 4 PHE HZ 1 1
7 1354 1 1 4 PHE N N 1.710 -1.129 1.617 1.00 . A A . 4 PHE N 1 1
7 1355 1 1 4 PHE O O -0.496 -0.189 -0.504 1.00 . A A . 4 PHE O 1 1
7 1356 1 1 5 GLU C C 0.586 3.912 -0.242 1.00 . A A . 5 GLU C 1 1
7 1357 1 1 5 GLU CA C 0.326 2.461 -0.655 1.00 . A A . 5 GLU CA 1 1
7 1358 1 1 5 GLU CB C -1.084 2.299 -1.226 1.00 . A A . 5 GLU CB 1 1
7 1359 1 1 5 GLU CD C -1.174 0.181 -2.591 1.00 . A A . 5 GLU CD 1 1
7 1360 1 1 5 GLU CG C -1.040 1.702 -2.635 1.00 . A A . 5 GLU CG 1 1
7 1361 1 1 5 GLU H H 1.028 1.975 1.244 1.00 . A A . 5 GLU H 1 1
7 1362 1 1 5 GLU HA H 1.053 2.156 -1.408 1.00 . A A . 5 GLU HA 1 1
7 1363 1 1 5 GLU HB2 H -1.672 1.653 -0.574 1.00 . A A . 5 GLU HB2 1 1
7 1364 1 1 5 GLU HB3 H -1.584 3.267 -1.251 1.00 . A A . 5 GLU HB3 1 1
7 1365 1 1 5 GLU HG2 H -1.844 2.126 -3.237 1.00 . A A . 5 GLU HG2 1 1
7 1366 1 1 5 GLU HG3 H -0.102 1.976 -3.120 1.00 . A A . 5 GLU HG3 1 1
7 1367 1 1 5 GLU N N 0.540 1.570 0.472 1.00 . A A . 5 GLU N 1 1
7 1368 1 1 5 GLU O O 1.024 4.173 0.878 1.00 . A A . 5 GLU O 1 1
7 1369 1 1 5 GLU OE1 O -0.232 -0.536 -2.963 1.00 . A A . 5 GLU OE1 1 1
7 1370 1 1 6 DTR C C -0.313 6.611 0.326 1.00 . A A . 6 DTR C 1 1
7 1371 1 1 6 DTR CA C 0.504 6.233 -0.912 1.00 . A A . 6 DTR CA 1 1
7 1372 1 1 6 DTR CB C 1.993 6.458 -0.645 1.00 . A A . 6 DTR CB 1 1
7 1373 1 1 6 DTR CD1 C 3.255 5.029 -2.386 1.00 . A A . 6 DTR CD1 1 1
7 1374 1 1 6 DTR CD2 C 3.521 7.208 -2.685 1.00 . A A . 6 DTR CD2 1 1
7 1375 1 1 6 DTR CE2 C 4.239 6.566 -3.671 1.00 . A A . 6 DTR CE2 1 1
7 1376 1 1 6 DTR CE3 C 3.485 8.611 -2.599 1.00 . A A . 6 DTR CE3 1 1
7 1377 1 1 6 DTR CG C 2.889 6.207 -1.860 1.00 . A A . 6 DTR CG 1 1
7 1378 1 1 6 DTR CH2 C 4.956 8.644 -4.582 1.00 . A A . 6 DTR CH2 1 1
7 1379 1 1 6 DTR CZ2 C 4.977 7.246 -4.647 1.00 . A A . 6 DTR CZ2 1 1
7 1380 1 1 6 DTR CZ3 C 4.227 9.276 -3.582 1.00 . A A . 6 DTR CZ3 1 1
7 1381 1 1 6 DTR H H -0.050 4.597 -2.075 1.00 . A A . 6 DTR H 1 1
7 1382 1 1 6 DTR HA H 0.247 6.828 -1.790 1.00 . A A . 6 DTR HA 1 1
7 1383 1 1 6 DTR HB2 H 2.141 7.481 -0.304 1.00 . A A . 6 DTR HB2 1 1
7 1384 1 1 6 DTR HB3 H 2.309 5.801 0.166 1.00 . A A . 6 DTR HB3 1 1
7 1385 1 1 6 DTR HD1 H 2.945 4.060 -1.994 1.00 . A A . 6 DTR HD1 1 1
7 1386 1 1 6 DTR HE1 H 4.507 4.406 -4.093 1.00 . A A . 6 DTR HE1 1 1
7 1387 1 1 6 DTR HE3 H 2.926 9.141 -1.828 1.00 . A A . 6 DTR HE3 1 1
7 1388 1 1 6 DTR HH2 H 5.510 9.234 -5.313 1.00 . A A . 6 DTR HH2 1 1
7 1389 1 1 6 DTR HZ2 H 5.536 6.715 -5.418 1.00 . A A . 6 DTR HZ2 1 1
7 1390 1 1 6 DTR HZ3 H 4.234 10.366 -3.561 1.00 . A A . 6 DTR HZ3 1 1
7 1391 1 1 6 DTR N N 0.306 4.817 -1.167 1.00 . A A . 6 DTR N 1 1
7 1392 1 1 6 DTR NE1 N 4.072 5.199 -3.485 1.00 . A A . 6 DTR NE1 1 1
7 1393 1 1 6 DTR O O 0.235 7.113 1.306 1.00 . A A . 6 DTR O 1 1
7 1394 1 1 7 IAM C C -3.255 5.405 1.803 1.00 . A A . 7 IAM C 1 1
7 1395 1 1 7 IAM CA C -2.506 6.656 1.342 1.00 . A A . 7 IAM CA 1 1
7 1396 1 1 7 IAM CB C -3.520 7.680 0.824 1.00 . A A . 7 IAM CB 1 1
7 1397 1 1 7 IAM CD1 C -3.199 8.198 -1.605 1.00 . A A . 7 IAM CD1 1 1
7 1398 1 1 7 IAM CD2 C -4.879 6.657 -1.014 1.00 . A A . 7 IAM CD2 1 1
7 1399 1 1 7 IAM CE1 C -3.532 8.037 -2.977 1.00 . A A . 7 IAM CE1 1 1
7 1400 1 1 7 IAM CE2 C -5.213 6.495 -2.385 1.00 . A A . 7 IAM CE2 1 1
7 1401 1 1 7 IAM CG C -3.879 7.505 -0.653 1.00 . A A . 7 IAM CG 1 1
7 1402 1 1 7 IAM CI C -7.068 6.347 -6.002 1.00 . A A . 7 IAM CI 1 1
7 1403 1 1 7 IAM CK1 C -8.587 6.541 -5.839 1.00 . A A . 7 IAM CK1 1 1
7 1404 1 1 7 IAM CK2 C -6.719 4.857 -5.834 1.00 . A A . 7 IAM CK2 1 1
7 1405 1 1 7 IAM CT C -4.893 7.012 -4.823 1.00 . A A . 7 IAM CT 1 1
7 1406 1 1 7 IAM CZ C -4.533 7.189 -3.337 1.00 . A A . 7 IAM CZ 1 1
7 1407 1 1 7 IAM H H -2.047 5.942 -0.560 1.00 . A A . 7 IAM H 1 1
7 1408 1 1 7 IAM HA H -1.895 7.035 2.162 1.00 . A A . 7 IAM HA 1 1
7 1409 1 1 7 IAM HB H -4.429 7.609 1.418 1.00 . A A . 7 IAM HB 1 1
7 1410 1 1 7 IAM HB1 H -3.118 8.682 0.973 1.00 . A A . 7 IAM HB1 1 1
7 1411 1 1 7 IAM HD1 H -2.397 8.879 -1.316 1.00 . A A . 7 IAM HD1 1 1
7 1412 1 1 7 IAM HD2 H -5.424 6.103 -0.251 1.00 . A A . 7 IAM HD2 1 1
7 1413 1 1 7 IAM HE1 H -2.987 8.591 -3.740 1.00 . A A . 7 IAM HE1 1 1
7 1414 1 1 7 IAM HE2 H -6.015 5.815 -2.674 1.00 . A A . 7 IAM HE2 1 1
7 1415 1 1 7 IAM HH H -6.877 7.830 -4.409 1.00 . A A . 7 IAM HH 1 1
7 1416 1 1 7 IAM HI H -6.772 6.656 -6.984 1.00 . A A . 7 IAM HI 1 1
7 1417 1 1 7 IAM HK11 H -8.886 6.212 -4.864 1.00 . A A . 7 IAM HK11 1 1
7 1418 1 1 7 IAM HK12 H -8.829 7.577 -5.955 1.00 . A A . 7 IAM HK12 1 1
7 1419 1 1 7 IAM HK13 H -9.103 5.969 -6.581 1.00 . A A . 7 IAM HK13 1 1
7 1420 1 1 7 IAM HK21 H -7.621 4.289 -5.726 1.00 . A A . 7 IAM HK21 1 1
7 1421 1 1 7 IAM HK22 H -6.184 4.514 -6.695 1.00 . A A . 7 IAM HK22 1 1
7 1422 1 1 7 IAM HK23 H -6.111 4.727 -4.963 1.00 . A A . 7 IAM HK23 1 1
7 1423 1 1 7 IAM HT1 H -4.592 6.037 -5.148 1.00 . A A . 7 IAM HT1 1 1
7 1424 1 1 7 IAM HT2 H -4.390 7.758 -5.405 1.00 . A A . 7 IAM HT2 1 1
7 1425 1 1 7 IAM N N -1.610 6.350 0.241 1.00 . A A . 7 IAM N 1 1
7 1426 1 1 7 IAM NH N -6.355 7.161 -4.993 1.00 . A A . 7 IAM NH 1 1
7 1427 1 1 7 IAM O O -3.444 5.195 2.999 1.00 . A A . 7 IAM O 1 1
7 1428 1 1 8 THR C C -3.527 2.443 1.975 1.00 . A A . 8 THR C 1 1
7 1429 1 1 8 THR CA C -4.385 3.379 1.119 1.00 . A A . 8 THR CA 1 1
7 1430 1 1 8 THR CB C -4.817 2.758 -0.212 1.00 . A A . 8 THR CB 1 1
7 1431 1 1 8 THR CG2 C -6.044 3.447 -0.808 1.00 . A A . 8 THR CG2 1 1
7 1432 1 1 8 THR H H -3.503 4.781 -0.143 1.00 . A A . 8 THR H 1 1
7 1433 1 1 8 THR HA H -5.267 3.631 1.706 1.00 . A A . 8 THR HA 1 1
7 1434 1 1 8 THR HB H -4.984 1.685 -0.104 1.00 . A A . 8 THR HB 1 1
7 1435 1 1 8 THR HG1 H -3.536 2.302 -1.681 1.00 . A A . 8 THR HG1 1 1
7 1436 1 1 8 THR HG21 H -5.736 4.087 -1.634 1.00 . A A . 8 THR HG21 1 1
7 1437 1 1 8 THR HG22 H -6.743 2.693 -1.173 1.00 . A A . 8 THR HG22 1 1
7 1438 1 1 8 THR HG23 H -6.530 4.051 -0.042 1.00 . A A . 8 THR HG23 1 1
7 1439 1 1 8 THR N N -3.662 4.605 0.827 1.00 . A A . 8 THR N 1 1
7 1440 1 1 8 THR O O -2.462 2.833 2.450 1.00 . A A . 8 THR O 1 1
7 1441 1 1 8 THR OG1 O -3.761 3.092 -1.109 1.00 . A A . 8 THR OG1 1 1
7 1442 1 1 9 PHE C C -3.590 -1.177 2.415 1.00 . A A . 9 PHE C 1 1
7 1443 1 1 9 PHE CA C -3.320 0.236 2.940 1.00 . A A . 9 PHE CA 1 1
7 1444 1 1 9 PHE CB C -3.851 0.345 4.371 1.00 . A A . 9 PHE CB 1 1
7 1445 1 1 9 PHE CD1 C -1.698 1.345 5.168 1.00 . A A . 9 PHE CD1 1 1
7 1446 1 1 9 PHE CD2 C -2.849 -0.109 6.620 1.00 . A A . 9 PHE CD2 1 1
7 1447 1 1 9 PHE CE1 C -0.686 1.523 6.148 1.00 . A A . 9 PHE CE1 1 1
7 1448 1 1 9 PHE CE2 C -1.836 0.067 7.600 1.00 . A A . 9 PHE CE2 1 1
7 1449 1 1 9 PHE CG C -2.759 0.535 5.425 1.00 . A A . 9 PHE CG 1 1
7 1450 1 1 9 PHE CZ C -0.777 0.878 7.343 1.00 . A A . 9 PHE CZ 1 1
7 1451 1 1 9 PHE H H -4.894 0.920 1.759 1.00 . A A . 9 PHE H 1 1
7 1452 1 1 9 PHE HA H -2.255 0.455 2.858 1.00 . A A . 9 PHE HA 1 1
7 1453 1 1 9 PHE HB3 H -4.417 -0.556 4.607 1.00 . A A . 9 PHE HB3 1 1
7 1454 1 1 9 PHE HD1 H -1.627 1.862 4.212 1.00 . A A . 9 PHE HD1 1 1
7 1455 1 1 9 PHE HD2 H -3.699 -0.760 6.826 1.00 . A A . 9 PHE HD2 1 1
7 1456 1 1 9 PHE HE1 H 0.164 2.173 5.944 1.00 . A A . 9 PHE HE1 1 1
7 1457 1 1 9 PHE HE2 H -1.909 -0.449 8.558 1.00 . A A . 9 PHE HE2 1 1
7 1458 1 1 9 PHE HZ H 0.002 1.014 8.095 1.00 . A A . 9 PHE HZ 1 1
7 1459 1 1 9 PHE N N -4.027 1.228 2.147 1.00 . A A . 9 PHE N 1 1
7 1460 1 1 9 PHE O O -3.581 -2.139 3.181 1.00 . A A . 9 PHE O 1 1
7 1461 1 1 10 . C C -2.836 -3.408 0.543 1.00 . A A . 10 HHK C 1 1
7 1462 1 1 10 . CA C -4.090 -2.533 0.477 1.00 . A A . 10 HHK CA 1 1
7 1463 1 1 10 . CB C -4.618 -2.324 -0.945 1.00 . A A . 10 HHK CB 1 1
7 1464 1 1 10 . CD C -6.824 -1.296 -1.608 1.00 . A A . 10 HHK CD 1 1
7 1465 1 1 10 . CE C -6.148 -0.880 -2.916 1.00 . A A . 10 HHK CE 1 1
7 1466 1 1 10 . CG C -6.135 -2.520 -1.000 1.00 . A A . 10 HHK CG 1 1
7 1467 1 1 10 . CT C -4.103 0.415 -3.597 1.00 . A A . 10 HHK CT 1 1
7 1468 1 1 10 . CZ C -5.356 0.422 -2.703 1.00 . A A . 10 HHK CZ 1 1
7 1469 1 1 10 . H H -3.824 -0.468 0.497 1.00 . A A . 10 HHK H 1 1
7 1470 1 1 10 . HA H -4.882 -3.021 1.047 1.00 . A A . 10 HHK HA 1 1
7 1471 1 1 10 . HB2 H -4.365 -1.320 -1.286 1.00 . A A . 10 HHK HB2 1 1
7 1472 1 1 10 . HB3 H -4.132 -3.024 -1.624 1.00 . A A . 10 HHK HB3 1 1
7 1473 1 1 10 . HD2 H -7.874 -1.522 -1.794 1.00 . A A . 10 HHK HD2 1 1
7 1474 1 1 10 . HD3 H -6.795 -0.469 -0.901 1.00 . A A . 10 HHK HD3 1 1
7 1475 1 1 10 . HE2 H -5.481 -1.674 -3.256 1.00 . A A . 10 HHK HE2 1 1
7 1476 1 1 10 . HE3 H -6.900 -0.742 -3.693 1.00 . A A . 10 HHK HE3 1 1
7 1477 1 1 10 . HG2 H -6.369 -3.406 -1.591 1.00 . A A . 10 HHK HG2 1 1
7 1478 1 1 10 . HG3 H -6.519 -2.696 0.004 1.00 . A A . 10 HHK HG3 1 1
7 1479 1 1 10 . HH2 H -2.909 -0.325 -2.103 1.00 . A A . 10 HHK HH2 1 1
7 1480 1 1 10 . HT1 H -3.668 1.394 -3.608 1.00 . A A . 10 HHK HT1 1 1
7 1481 1 1 10 . HT2 H -4.378 0.138 -4.591 1.00 . A A . 10 HHK HT2 1 1
7 1482 1 1 10 . HZ2 H -5.973 1.257 -2.958 1.00 . A A . 10 HHK HZ2 1 1
7 1483 1 1 10 . HZ3 H -5.062 0.497 -1.675 1.00 . A A . 10 HHK HZ3 1 1
7 1484 1 1 10 . N N -3.819 -1.256 1.113 1.00 . A A . 10 HHK N 1 1
7 1485 1 1 10 . NH N -3.123 -0.555 -3.063 1.00 . A A . 10 HHK NH 1 1
7 1486 1 1 10 . O O -2.123 -3.553 -0.449 1.00 . A A . 10 HHK O 1 1
7 1487 1 1 11 SER C C -1.745 -6.233 1.422 1.00 . A A . 11 SER C 1 1
7 1488 1 1 11 SER CA C -1.450 -4.820 1.931 1.00 . A A . 11 SER CA 1 1
7 1489 1 1 11 SER CB C -1.052 -4.861 3.409 1.00 . A A . 11 SER CB 1 1
7 1490 1 1 11 SER H H -3.189 -3.843 2.523 1.00 . A A . 11 SER H 1 1
7 1491 1 1 11 SER HA H -0.646 -4.367 1.352 1.00 . A A . 11 SER HA 1 1
7 1492 1 1 11 SER HB3 H -0.048 -5.270 3.505 1.00 . A A . 11 SER HB3 1 1
7 1493 1 1 11 SER HG H -2.028 -3.204 3.968 1.00 . A A . 11 SER HG 1 1
7 1494 1 1 11 SER N N -2.605 -3.965 1.723 1.00 . A A . 11 SER N 1 1
7 1495 1 1 11 SER O O -2.894 -6.672 1.429 1.00 . A A . 11 SER O 1 1
7 1496 1 1 11 SER OG O -1.097 -3.568 4.009 1.00 . A A . 11 SER OG 1 1
7 1497 1 1 12 CYS C C -1.767 -9.032 1.404 1.00 . A A . 12 CYS C 1 1
7 1498 1 1 12 CYS CA C -0.819 -8.261 0.484 1.00 . A A . 12 CYS CA 1 1
7 1499 1 1 12 CYS CB C 0.541 -8.952 0.356 1.00 . A A . 12 CYS CB 1 1
7 1500 1 1 12 CYS H H 0.245 -6.545 0.992 1.00 . A A . 12 CYS H 1 1
7 1501 1 1 12 CYS HA H -1.236 -8.177 -0.519 1.00 . A A . 12 CYS HA 1 1
7 1502 1 1 12 CYS HB3 H 1.181 -8.348 -0.286 1.00 . A A . 12 CYS HB3 1 1
7 1503 1 1 12 CYS N N -0.687 -6.906 0.994 1.00 . A A . 12 CYS N 1 1
7 1504 1 1 12 CYS O O -2.234 -10.114 1.054 1.00 . A A . 12 CYS O 1 1
7 1505 1 1 12 CYS SG S 1.406 -9.241 1.942 1.00 . A A . 12 CYS SG 1 1
8 1506 1 1 1 TYR C C 4.624 -7.337 -0.429 1.00 . A A . 1 TYR C 1 1
8 1507 1 1 1 TYR CA C 6.022 -7.929 -0.627 1.00 . A A . 1 TYR CA 1 1
8 1508 1 1 1 TYR CB C 7.060 -6.813 -0.509 1.00 . A A . 1 TYR CB 1 1
8 1509 1 1 1 TYR CD1 C 9.209 -8.048 -0.052 1.00 . A A . 1 TYR CD1 1 1
8 1510 1 1 1 TYR CD2 C 9.026 -6.804 -2.085 1.00 . A A . 1 TYR CD2 1 1
8 1511 1 1 1 TYR CE1 C 10.544 -8.446 -0.416 1.00 . A A . 1 TYR CE1 1 1
8 1512 1 1 1 TYR CE2 C 10.362 -7.202 -2.449 1.00 . A A . 1 TYR CE2 1 1
8 1513 1 1 1 TYR CG C 8.478 -7.234 -0.895 1.00 . A A . 1 TYR CG 1 1
8 1514 1 1 1 TYR CZ C 11.054 -8.004 -1.597 1.00 . A A . 1 TYR CZ 1 1
8 1515 1 1 1 TYR H1 H 6.843 -9.211 -2.050 1.00 . A A . 1 TYR H1 1 1
8 1516 1 1 1 TYR HA H 6.167 -8.743 0.084 1.00 . A A . 1 TYR HA 1 1
8 1517 1 1 1 TYR HB3 H 7.068 -6.444 0.518 1.00 . A A . 1 TYR HB3 1 1
8 1518 1 1 1 TYR HD1 H 8.775 -8.389 0.888 1.00 . A A . 1 TYR HD1 1 1
8 1519 1 1 1 TYR HD2 H 8.449 -6.162 -2.751 1.00 . A A . 1 TYR HD2 1 1
8 1520 1 1 1 TYR HE1 H 11.132 -9.089 0.240 1.00 . A A . 1 TYR HE1 1 1
8 1521 1 1 1 TYR HE2 H 10.806 -6.869 -3.388 1.00 . A A . 1 TYR HE2 1 1
8 1522 1 1 1 TYR HH H 12.803 -8.719 -1.135 1.00 . A A . 1 TYR HH 1 1
8 1523 1 1 1 TYR N N 6.172 -8.474 -1.966 1.00 . A A . 1 TYR N 1 1
8 1524 1 1 1 TYR O O 3.830 -7.285 -1.366 1.00 . A A . 1 TYR O 1 1
8 1525 1 1 1 TYR OH O 12.315 -8.381 -1.940 1.00 . A A . 1 TYR OH 1 1
8 1526 1 1 2 CYS C C 3.095 -4.853 0.688 1.00 . A A . 2 CYS C 1 1
8 1527 1 1 2 CYS CA C 3.083 -6.317 1.130 1.00 . A A . 2 CYS CA 1 1
8 1528 1 1 2 CYS CB C 2.764 -6.461 2.618 1.00 . A A . 2 CYS CB 1 1
8 1529 1 1 2 CYS H H 5.022 -6.949 1.553 1.00 . A A . 2 CYS H 1 1
8 1530 1 1 2 CYS HA H 2.330 -6.881 0.580 1.00 . A A . 2 CYS HA 1 1
8 1531 1 1 2 CYS HB3 H 2.387 -5.508 2.989 1.00 . A A . 2 CYS HB3 1 1
8 1532 1 1 2 CYS N N 4.370 -6.904 0.796 1.00 . A A . 2 CYS N 1 1
8 1533 1 1 2 CYS O O 2.720 -4.538 -0.441 1.00 . A A . 2 CYS O 1 1
8 1534 1 1 2 CYS SG S 1.548 -7.768 3.020 1.00 . A A . 2 CYS SG 1 1
8 1535 1 1 3 LYS C C 2.177 -2.016 1.186 1.00 . A A . 3 LYS C 1 1
8 1536 1 1 3 LYS CA C 3.596 -2.572 1.319 1.00 . A A . 3 LYS CA 1 1
8 1537 1 1 3 LYS CB C 4.477 -2.306 0.096 1.00 . A A . 3 LYS CB 1 1
8 1538 1 1 3 LYS CD C 6.804 -2.718 0.978 1.00 . A A . 3 LYS CD 1 1
8 1539 1 1 3 LYS CE C 8.203 -2.118 1.127 1.00 . A A . 3 LYS CE 1 1
8 1540 1 1 3 LYS CG C 5.803 -1.662 0.505 1.00 . A A . 3 LYS CG 1 1
8 1541 1 1 3 LYS H H 3.834 -4.259 2.515 1.00 . A A . 3 LYS H 1 1
8 1542 1 1 3 LYS HA H 4.075 -2.092 2.171 1.00 . A A . 3 LYS HA 1 1
8 1543 1 1 3 LYS HB3 H 3.950 -1.655 -0.601 1.00 . A A . 3 LYS HB3 1 1
8 1544 1 1 3 LYS HD3 H 6.831 -3.542 0.266 1.00 . A A . 3 LYS HD3 1 1
8 1545 1 1 3 LYS HE3 H 8.192 -1.336 1.885 1.00 . A A . 3 LYS HE3 1 1
8 1546 1 1 3 LYS HG3 H 5.629 -0.938 1.302 1.00 . A A . 3 LYS HG3 1 1
8 1547 1 1 3 LYS HZ1 H 8.752 -3.904 2.048 1.00 . A A . 3 LYS HZ1 1 1
8 1548 1 1 3 LYS HZ2 H 9.594 -3.607 0.685 1.00 . A A . 3 LYS HZ2 1 1
8 1549 1 1 3 LYS N N 3.531 -3.995 1.600 1.00 . A A . 3 LYS N 1 1
8 1550 1 1 3 LYS NZ N 9.179 -3.166 1.501 1.00 . A A . 3 LYS NZ 1 1
8 1551 1 1 3 LYS O O 1.475 -2.320 0.222 1.00 . A A . 3 LYS O 1 1
8 1552 1 1 4 PHE C C 0.243 0.218 0.907 1.00 . A A . 4 PHE C 1 1
8 1553 1 1 4 PHE CA C 0.473 -0.612 2.173 1.00 . A A . 4 PHE CA 1 1
8 1554 1 1 4 PHE CB C 0.403 0.311 3.391 1.00 . A A . 4 PHE CB 1 1
8 1555 1 1 4 PHE CD1 C -0.792 -1.354 4.831 1.00 . A A . 4 PHE CD1 1 1
8 1556 1 1 4 PHE CD2 C 0.998 -0.150 5.780 1.00 . A A . 4 PHE CD2 1 1
8 1557 1 1 4 PHE CE1 C -0.984 -2.037 6.063 1.00 . A A . 4 PHE CE1 1 1
8 1558 1 1 4 PHE CE2 C 0.806 -0.833 7.011 1.00 . A A . 4 PHE CE2 1 1
8 1559 1 1 4 PHE CG C 0.195 -0.426 4.717 1.00 . A A . 4 PHE CG 1 1
8 1560 1 1 4 PHE CZ C -0.181 -1.762 7.124 1.00 . A A . 4 PHE CZ 1 1
8 1561 1 1 4 PHE H H 2.372 -0.969 2.947 1.00 . A A . 4 PHE H 1 1
8 1562 1 1 4 PHE HA H -0.253 -1.426 2.207 1.00 . A A . 4 PHE HA 1 1
8 1563 1 1 4 PHE HB3 H -0.411 1.020 3.251 1.00 . A A . 4 PHE HB3 1 1
8 1564 1 1 4 PHE HD1 H -1.435 -1.574 3.980 1.00 . A A . 4 PHE HD1 1 1
8 1565 1 1 4 PHE HD2 H 1.789 0.593 5.687 1.00 . A A . 4 PHE HD2 1 1
8 1566 1 1 4 PHE HE1 H -1.775 -2.781 6.154 1.00 . A A . 4 PHE HE1 1 1
8 1567 1 1 4 PHE HE2 H 1.449 -0.613 7.862 1.00 . A A . 4 PHE HE2 1 1
8 1568 1 1 4 PHE HZ H -0.330 -2.286 8.069 1.00 . A A . 4 PHE HZ 1 1
8 1569 1 1 4 PHE N N 1.796 -1.211 2.167 1.00 . A A . 4 PHE N 1 1
8 1570 1 1 4 PHE O O -0.291 -0.286 -0.081 1.00 . A A . 4 PHE O 1 1
8 1571 1 1 5 GLU C C 0.653 3.830 0.310 1.00 . A A . 5 GLU C 1 1
8 1572 1 1 5 GLU CA C 0.498 2.378 -0.149 1.00 . A A . 5 GLU CA 1 1
8 1573 1 1 5 GLU CB C -0.847 2.164 -0.842 1.00 . A A . 5 GLU CB 1 1
8 1574 1 1 5 GLU CD C -1.634 0.324 -2.378 1.00 . A A . 5 GLU CD 1 1
8 1575 1 1 5 GLU CG C -0.660 1.491 -2.205 1.00 . A A . 5 GLU CG 1 1
8 1576 1 1 5 GLU H H 1.085 1.877 1.786 1.00 . A A . 5 GLU H 1 1
8 1577 1 1 5 GLU HA H 1.302 2.121 -0.839 1.00 . A A . 5 GLU HA 1 1
8 1578 1 1 5 GLU HB2 H -1.491 1.548 -0.215 1.00 . A A . 5 GLU HB2 1 1
8 1579 1 1 5 GLU HB3 H -1.351 3.121 -0.973 1.00 . A A . 5 GLU HB3 1 1
8 1580 1 1 5 GLU HG2 H -0.817 2.220 -2.999 1.00 . A A . 5 GLU HG2 1 1
8 1581 1 1 5 GLU HG3 H 0.364 1.133 -2.300 1.00 . A A . 5 GLU HG3 1 1
8 1582 1 1 5 GLU N N 0.654 1.475 0.980 1.00 . A A . 5 GLU N 1 1
8 1583 1 1 5 GLU O O 0.797 4.096 1.503 1.00 . A A . 5 GLU O 1 1
8 1584 1 1 5 GLU OE1 O -1.202 -0.813 -2.621 1.00 . A A . 5 GLU OE1 1 1
8 1585 1 1 6 DTR C C -0.433 6.568 0.499 1.00 . A A . 6 DTR C 1 1
8 1586 1 1 6 DTR CA C 0.753 6.148 -0.371 1.00 . A A . 6 DTR CA 1 1
8 1587 1 1 6 DTR CB C 2.062 6.348 0.395 1.00 . A A . 6 DTR CB 1 1
8 1588 1 1 6 DTR CD1 C 3.608 4.364 -0.183 1.00 . A A . 6 DTR CD1 1 1
8 1589 1 1 6 DTR CD2 C 4.288 6.286 -1.052 1.00 . A A . 6 DTR CD2 1 1
8 1590 1 1 6 DTR CE2 C 5.194 5.318 -1.433 1.00 . A A . 6 DTR CE2 1 1
8 1591 1 1 6 DTR CE3 C 4.440 7.627 -1.444 1.00 . A A . 6 DTR CE3 1 1
8 1592 1 1 6 DTR CG C 3.269 5.659 -0.245 1.00 . A A . 6 DTR CG 1 1
8 1593 1 1 6 DTR CH2 C 6.487 6.916 -2.631 1.00 . A A . 6 DTR CH2 1 1
8 1594 1 1 6 DTR CZ2 C 6.315 5.586 -2.227 1.00 . A A . 6 DTR CZ2 1 1
8 1595 1 1 6 DTR CZ3 C 5.565 7.879 -2.240 1.00 . A A . 6 DTR CZ3 1 1
8 1596 1 1 6 DTR H H 0.500 4.507 -1.628 1.00 . A A . 6 DTR H 1 1
8 1597 1 1 6 DTR HA H 0.831 6.729 -1.292 1.00 . A A . 6 DTR HA 1 1
8 1598 1 1 6 DTR HB2 H 2.265 7.415 0.475 1.00 . A A . 6 DTR HB2 1 1
8 1599 1 1 6 DTR HB3 H 1.937 5.970 1.411 1.00 . A A . 6 DTR HB3 1 1
8 1600 1 1 6 DTR HD1 H 3.040 3.606 0.355 1.00 . A A . 6 DTR HD1 1 1
8 1601 1 1 6 DTR HE1 H 5.258 3.145 -0.997 1.00 . A A . 6 DTR HE1 1 1
8 1602 1 1 6 DTR HE3 H 3.738 8.409 -1.159 1.00 . A A . 6 DTR HE3 1 1
8 1603 1 1 6 DTR HH2 H 7.340 7.194 -3.251 1.00 . A A . 6 DTR HH2 1 1
8 1604 1 1 6 DTR HZ2 H 7.016 4.804 -2.515 1.00 . A A . 6 DTR HZ2 1 1
8 1605 1 1 6 DTR HZ3 H 5.731 8.905 -2.572 1.00 . A A . 6 DTR HZ3 1 1
8 1606 1 1 6 DTR N N 0.618 4.731 -0.661 1.00 . A A . 6 DTR N 1 1
8 1607 1 1 6 DTR NE1 N 4.768 4.113 -0.889 1.00 . A A . 6 DTR NE1 1 1
8 1608 1 1 6 DTR O O -0.248 7.023 1.628 1.00 . A A . 6 DTR O 1 1
8 1609 1 1 7 IAM C C -3.667 5.511 0.983 1.00 . A A . 7 IAM C 1 1
8 1610 1 1 7 IAM CA C -2.839 6.755 0.656 1.00 . A A . 7 IAM CA 1 1
8 1611 1 1 7 IAM CB C -3.652 7.662 -0.270 1.00 . A A . 7 IAM CB 1 1
8 1612 1 1 7 IAM CD1 C -4.663 6.561 -2.278 1.00 . A A . 7 IAM CD1 1 1
8 1613 1 1 7 IAM CD2 C -2.539 7.548 -2.511 1.00 . A A . 7 IAM CD2 1 1
8 1614 1 1 7 IAM CE1 C -4.632 6.169 -3.644 1.00 . A A . 7 IAM CE1 1 1
8 1615 1 1 7 IAM CE2 C -2.507 7.159 -3.876 1.00 . A A . 7 IAM CE2 1 1
8 1616 1 1 7 IAM CG C -3.617 7.241 -1.741 1.00 . A A . 7 IAM CG 1 1
8 1617 1 1 7 IAM CI C -1.880 4.911 -7.496 1.00 . A A . 7 IAM CI 1 1
8 1618 1 1 7 IAM CK1 C -1.940 3.403 -7.801 1.00 . A A . 7 IAM CK1 1 1
8 1619 1 1 7 IAM CK2 C -0.431 5.409 -7.643 1.00 . A A . 7 IAM CK2 1 1
8 1620 1 1 7 IAM CT C -3.520 6.055 -5.894 1.00 . A A . 7 IAM CT 1 1
8 1621 1 1 7 IAM CZ C -3.554 6.476 -4.413 1.00 . A A . 7 IAM CZ 1 1
8 1622 1 1 7 IAM H H -1.766 6.029 -0.975 1.00 . A A . 7 IAM H 1 1
8 1623 1 1 7 IAM HA H -2.540 7.244 1.581 1.00 . A A . 7 IAM HA 1 1
8 1624 1 1 7 IAM HB H -4.687 7.675 0.068 1.00 . A A . 7 IAM HB 1 1
8 1625 1 1 7 IAM HB1 H -3.275 8.681 -0.187 1.00 . A A . 7 IAM HB1 1 1
8 1626 1 1 7 IAM HD1 H -5.528 6.313 -1.661 1.00 . A A . 7 IAM HD1 1 1
8 1627 1 1 7 IAM HD2 H -1.700 8.095 -2.080 1.00 . A A . 7 IAM HD2 1 1
8 1628 1 1 7 IAM HE1 H -5.471 5.623 -4.076 1.00 . A A . 7 IAM HE1 1 1
8 1629 1 1 7 IAM HE2 H -1.642 7.405 -4.493 1.00 . A A . 7 IAM HE2 1 1
8 1630 1 1 7 IAM HH H -1.903 4.701 -5.320 1.00 . A A . 7 IAM HH 1 1
8 1631 1 1 7 IAM HI H -2.498 5.440 -8.192 1.00 . A A . 7 IAM HI 1 1
8 1632 1 1 7 IAM HK11 H -1.311 2.875 -7.115 1.00 . A A . 7 IAM HK11 1 1
8 1633 1 1 7 IAM HK12 H -2.949 3.059 -7.700 1.00 . A A . 7 IAM HK12 1 1
8 1634 1 1 7 IAM HK13 H -1.603 3.228 -8.801 1.00 . A A . 7 IAM HK13 1 1
8 1635 1 1 7 IAM HK21 H 0.169 4.636 -8.075 1.00 . A A . 7 IAM HK21 1 1
8 1636 1 1 7 IAM HK22 H -0.411 6.271 -8.275 1.00 . A A . 7 IAM HK22 1 1
8 1637 1 1 7 IAM HK23 H -0.041 5.665 -6.679 1.00 . A A . 7 IAM HK23 1 1
8 1638 1 1 7 IAM HT1 H -3.422 6.924 -6.509 1.00 . A A . 7 IAM HT1 1 1
8 1639 1 1 7 IAM HT2 H -4.426 5.540 -6.141 1.00 . A A . 7 IAM HT2 1 1
8 1640 1 1 7 IAM N N -1.624 6.399 -0.057 1.00 . A A . 7 IAM N 1 1
8 1641 1 1 7 IAM NH N -2.367 5.156 -6.121 1.00 . A A . 7 IAM NH 1 1
8 1642 1 1 7 IAM O O -4.516 5.542 1.873 1.00 . A A . 7 IAM O 1 1
8 1643 1 1 8 THR C C -3.318 2.288 1.409 1.00 . A A . 8 THR C 1 1
8 1644 1 1 8 THR CA C -4.096 3.191 0.451 1.00 . A A . 8 THR CA 1 1
8 1645 1 1 8 THR CB C -4.338 2.556 -0.921 1.00 . A A . 8 THR CB 1 1
8 1646 1 1 8 THR CG2 C -5.700 2.929 -1.508 1.00 . A A . 8 THR CG2 1 1
8 1647 1 1 8 THR H H -2.697 4.426 -0.473 1.00 . A A . 8 THR H 1 1
8 1648 1 1 8 THR HA H -5.054 3.410 0.923 1.00 . A A . 8 THR HA 1 1
8 1649 1 1 8 THR HB H -4.214 1.473 -0.877 1.00 . A A . 8 THR HB 1 1
8 1650 1 1 8 THR HG1 H -3.758 4.104 -2.052 1.00 . A A . 8 THR HG1 1 1
8 1651 1 1 8 THR HG21 H -5.730 2.652 -2.562 1.00 . A A . 8 THR HG21 1 1
8 1652 1 1 8 THR HG22 H -6.485 2.397 -0.969 1.00 . A A . 8 THR HG22 1 1
8 1653 1 1 8 THR HG23 H -5.857 4.003 -1.410 1.00 . A A . 8 THR HG23 1 1
8 1654 1 1 8 THR N N -3.389 4.444 0.249 1.00 . A A . 8 THR N 1 1
8 1655 1 1 8 THR O O -2.190 2.600 1.783 1.00 . A A . 8 THR O 1 1
8 1656 1 1 8 THR OG1 O -3.402 3.210 -1.774 1.00 . A A . 8 THR OG1 1 1
8 1657 1 1 9 PHE C C -3.694 -1.202 2.305 1.00 . A A . 9 PHE C 1 1
8 1658 1 1 9 PHE CA C -3.335 0.235 2.688 1.00 . A A . 9 PHE CA 1 1
8 1659 1 1 9 PHE CB C -3.884 0.529 4.085 1.00 . A A . 9 PHE CB 1 1
8 1660 1 1 9 PHE CD1 C -1.908 1.842 4.887 1.00 . A A . 9 PHE CD1 1 1
8 1661 1 1 9 PHE CD2 C -2.745 0.137 6.281 1.00 . A A . 9 PHE CD2 1 1
8 1662 1 1 9 PHE CE1 C -0.907 2.137 5.850 1.00 . A A . 9 PHE CE1 1 1
8 1663 1 1 9 PHE CE2 C -1.744 0.433 7.245 1.00 . A A . 9 PHE CE2 1 1
8 1664 1 1 9 PHE CG C -2.805 0.847 5.124 1.00 . A A . 9 PHE CG 1 1
8 1665 1 1 9 PHE CZ C -0.846 1.427 7.008 1.00 . A A . 9 PHE CZ 1 1
8 1666 1 1 9 PHE H H -4.873 0.939 1.471 1.00 . A A . 9 PHE H 1 1
8 1667 1 1 9 PHE HA H -2.256 0.370 2.613 1.00 . A A . 9 PHE HA 1 1
8 1668 1 1 9 PHE HB3 H -4.459 -0.332 4.427 1.00 . A A . 9 PHE HB3 1 1
8 1669 1 1 9 PHE HD1 H -1.956 2.410 3.960 1.00 . A A . 9 PHE HD1 1 1
8 1670 1 1 9 PHE HD2 H -3.465 -0.659 6.470 1.00 . A A . 9 PHE HD2 1 1
8 1671 1 1 9 PHE HE1 H -0.187 2.935 5.661 1.00 . A A . 9 PHE HE1 1 1
8 1672 1 1 9 PHE HE2 H -1.697 -0.136 8.172 1.00 . A A . 9 PHE HE2 1 1
8 1673 1 1 9 PHE HZ H -0.079 1.655 7.748 1.00 . A A . 9 PHE HZ 1 1
8 1674 1 1 9 PHE N N -3.954 1.186 1.779 1.00 . A A . 9 PHE N 1 1
8 1675 1 1 9 PHE O O -3.854 -2.058 3.173 1.00 . A A . 9 PHE O 1 1
8 1676 1 1 10 . C C -2.973 -3.694 0.747 1.00 . A A . 10 HHK C 1 1
8 1677 1 1 10 . CA C -4.144 -2.742 0.493 1.00 . A A . 10 HHK CA 1 1
8 1678 1 1 10 . CB C -4.562 -2.658 -0.975 1.00 . A A . 10 HHK CB 1 1
8 1679 1 1 10 . CD C -6.029 -0.695 -1.571 1.00 . A A . 10 HHK CD 1 1
8 1680 1 1 10 . CE C -5.433 -0.554 -2.971 1.00 . A A . 10 HHK CE 1 1
8 1681 1 1 10 . CG C -6.000 -2.154 -1.107 1.00 . A A . 10 HHK CG 1 1
8 1682 1 1 10 . CT C -3.195 -0.244 -4.077 1.00 . A A . 10 HHK CT 1 1
8 1683 1 1 10 . CZ C -4.081 0.180 -2.892 1.00 . A A . 10 HHK CZ 1 1
8 1684 1 1 10 . H H -3.675 -0.722 0.304 1.00 . A A . 10 HHK H 1 1
8 1685 1 1 10 . HA H -5.007 -3.099 1.055 1.00 . A A . 10 HHK HA 1 1
8 1686 1 1 10 . HB2 H -3.888 -1.992 -1.512 1.00 . A A . 10 HHK HB2 1 1
8 1687 1 1 10 . HB3 H -4.474 -3.641 -1.438 1.00 . A A . 10 HHK HB3 1 1
8 1688 1 1 10 . HD2 H -7.057 -0.331 -1.570 1.00 . A A . 10 HHK HD2 1 1
8 1689 1 1 10 . HD3 H -5.470 -0.077 -0.867 1.00 . A A . 10 HHK HD3 1 1
8 1690 1 1 10 . HE2 H -5.300 -1.538 -3.418 1.00 . A A . 10 HHK HE2 1 1
8 1691 1 1 10 . HE3 H -6.120 -0.001 -3.612 1.00 . A A . 10 HHK HE3 1 1
8 1692 1 1 10 . HG2 H -6.544 -2.774 -1.818 1.00 . A A . 10 HHK HG2 1 1
8 1693 1 1 10 . HG3 H -6.512 -2.245 -0.148 1.00 . A A . 10 HHK HG3 1 1
8 1694 1 1 10 . HH2 H -2.475 1.663 -3.864 1.00 . A A . 10 HHK HH2 1 1
8 1695 1 1 10 . HT1 H -3.809 -0.415 -4.938 1.00 . A A . 10 HHK HT1 1 1
8 1696 1 1 10 . HT2 H -2.675 -1.145 -3.827 1.00 . A A . 10 HHK HT2 1 1
8 1697 1 1 10 . HZ2 H -4.247 1.234 -2.926 1.00 . A A . 10 HHK HZ2 1 1
8 1698 1 1 10 . HZ3 H -3.592 -0.073 -1.972 1.00 . A A . 10 HHK HZ3 1 1
8 1699 1 1 10 . N N -3.807 -1.422 1.002 1.00 . A A . 10 HHK N 1 1
8 1700 1 1 10 . NH N -2.219 0.827 -4.370 1.00 . A A . 10 HHK NH 1 1
8 1701 1 1 10 . O O -2.310 -4.132 -0.193 1.00 . A A . 10 HHK O 1 1
8 1702 1 1 11 SER C C -1.921 -6.279 1.832 1.00 . A A . 11 SER C 1 1
8 1703 1 1 11 SER CA C -1.677 -4.883 2.408 1.00 . A A . 11 SER CA 1 1
8 1704 1 1 11 SER CB C -1.542 -4.954 3.931 1.00 . A A . 11 SER CB 1 1
8 1705 1 1 11 SER H H -3.301 -3.629 2.778 1.00 . A A . 11 SER H 1 1
8 1706 1 1 11 SER HA H -0.775 -4.444 1.984 1.00 . A A . 11 SER HA 1 1
8 1707 1 1 11 SER HB3 H -2.532 -5.018 4.380 1.00 . A A . 11 SER HB3 1 1
8 1708 1 1 11 SER HG H 0.155 -5.763 4.616 1.00 . A A . 11 SER HG 1 1
8 1709 1 1 11 SER N N -2.756 -3.990 2.020 1.00 . A A . 11 SER N 1 1
8 1710 1 1 11 SER O O -3.051 -6.768 1.837 1.00 . A A . 11 SER O 1 1
8 1711 1 1 11 SER OG O -0.758 -6.069 4.345 1.00 . A A . 11 SER OG 1 1
8 1712 1 1 12 CYS C C -1.524 -9.154 1.817 1.00 . A A . 12 CYS C 1 1
8 1713 1 1 12 CYS CA C -0.928 -8.211 0.770 1.00 . A A . 12 CYS CA 1 1
8 1714 1 1 12 CYS CB C 0.436 -8.699 0.274 1.00 . A A . 12 CYS CB 1 1
8 1715 1 1 12 CYS H H 0.070 -6.476 1.350 1.00 . A A . 12 CYS H 1 1
8 1716 1 1 12 CYS HA H -1.581 -8.135 -0.099 1.00 . A A . 12 CYS HA 1 1
8 1717 1 1 12 CYS HB3 H 0.885 -7.916 -0.336 1.00 . A A . 12 CYS HB3 1 1
8 1718 1 1 12 CYS N N -0.845 -6.881 1.348 1.00 . A A . 12 CYS N 1 1
8 1719 1 1 12 CYS O O -2.739 -9.350 1.860 1.00 . A A . 12 CYS O 1 1
8 1720 1 1 12 CYS SG S 1.613 -9.161 1.598 1.00 . A A . 12 CYS SG 1 1
9 1721 1 1 1 TYR C C 5.195 -6.983 0.104 1.00 . A A . 1 TYR C 1 1
9 1722 1 1 1 TYR CA C 6.665 -6.565 0.162 1.00 . A A . 1 TYR CA 1 1
9 1723 1 1 1 TYR CB C 6.836 -5.238 -0.578 1.00 . A A . 1 TYR CB 1 1
9 1724 1 1 1 TYR CD1 C 5.559 -5.434 -2.744 1.00 . A A . 1 TYR CD1 1 1
9 1725 1 1 1 TYR CD2 C 7.947 -5.402 -2.836 1.00 . A A . 1 TYR CD2 1 1
9 1726 1 1 1 TYR CE1 C 5.506 -5.553 -4.177 1.00 . A A . 1 TYR CE1 1 1
9 1727 1 1 1 TYR CE2 C 7.894 -5.521 -4.270 1.00 . A A . 1 TYR CE2 1 1
9 1728 1 1 1 TYR CG C 6.779 -5.362 -2.103 1.00 . A A . 1 TYR CG 1 1
9 1729 1 1 1 TYR CZ C 6.676 -5.589 -4.871 1.00 . A A . 1 TYR CZ 1 1
9 1730 1 1 1 TYR H1 H 8.076 -7.136 -1.261 1.00 . A A . 1 TYR H1 1 1
9 1731 1 1 1 TYR HA H 6.986 -6.533 1.204 1.00 . A A . 1 TYR HA 1 1
9 1732 1 1 1 TYR HB3 H 7.792 -4.795 -0.295 1.00 . A A . 1 TYR HB3 1 1
9 1733 1 1 1 TYR HD1 H 4.636 -5.404 -2.165 1.00 . A A . 1 TYR HD1 1 1
9 1734 1 1 1 TYR HD2 H 8.911 -5.346 -2.328 1.00 . A A . 1 TYR HD2 1 1
9 1735 1 1 1 TYR HE1 H 4.550 -5.612 -4.698 1.00 . A A . 1 TYR HE1 1 1
9 1736 1 1 1 TYR HE2 H 8.809 -5.553 -4.860 1.00 . A A . 1 TYR HE2 1 1
9 1737 1 1 1 TYR HH H 5.813 -5.237 -6.576 1.00 . A A . 1 TYR HH 1 1
9 1738 1 1 1 TYR N N 7.506 -7.522 -0.535 1.00 . A A . 1 TYR N 1 1
9 1739 1 1 1 TYR O O 4.873 -8.072 -0.368 1.00 . A A . 1 TYR O 1 1
9 1740 1 1 1 TYR OH O 6.626 -5.701 -6.224 1.00 . A A . 1 TYR OH 1 1
9 1741 1 1 2 CYS C C 2.254 -5.468 -0.458 1.00 . A A . 2 CYS C 1 1
9 1742 1 1 2 CYS CA C 2.911 -6.357 0.600 1.00 . A A . 2 CYS CA 1 1
9 1743 1 1 2 CYS CB C 2.305 -6.136 1.986 1.00 . A A . 2 CYS CB 1 1
9 1744 1 1 2 CYS H H 4.610 -5.210 0.973 1.00 . A A . 2 CYS H 1 1
9 1745 1 1 2 CYS HA H 2.785 -7.410 0.353 1.00 . A A . 2 CYS HA 1 1
9 1746 1 1 2 CYS HB3 H 1.299 -5.733 1.870 1.00 . A A . 2 CYS HB3 1 1
9 1747 1 1 2 CYS N N 4.340 -6.094 0.590 1.00 . A A . 2 CYS N 1 1
9 1748 1 1 2 CYS O O 2.236 -5.812 -1.639 1.00 . A A . 2 CYS O 1 1
9 1749 1 1 2 CYS SG S 2.216 -7.636 3.033 1.00 . A A . 2 CYS SG 1 1
9 1750 1 1 3 LYS C C 0.361 -2.331 -0.058 1.00 . A A . 3 LYS C 1 1
9 1751 1 1 3 LYS CA C 1.069 -3.404 -0.887 1.00 . A A . 3 LYS CA 1 1
9 1752 1 1 3 LYS CB C 0.144 -4.143 -1.857 1.00 . A A . 3 LYS CB 1 1
9 1753 1 1 3 LYS CD C -1.868 -5.659 -1.951 1.00 . A A . 3 LYS CD 1 1
9 1754 1 1 3 LYS CE C -1.470 -6.599 -3.089 1.00 . A A . 3 LYS CE 1 1
9 1755 1 1 3 LYS CG C -0.645 -5.236 -1.136 1.00 . A A . 3 LYS CG 1 1
9 1756 1 1 3 LYS H H 1.745 -4.072 0.966 1.00 . A A . 3 LYS H 1 1
9 1757 1 1 3 LYS HA H 1.844 -2.923 -1.485 1.00 . A A . 3 LYS HA 1 1
9 1758 1 1 3 LYS HB3 H 0.732 -4.584 -2.662 1.00 . A A . 3 LYS HB3 1 1
9 1759 1 1 3 LYS HD3 H -2.361 -4.777 -2.360 1.00 . A A . 3 LYS HD3 1 1
9 1760 1 1 3 LYS HE3 H -0.502 -7.053 -2.874 1.00 . A A . 3 LYS HE3 1 1
9 1761 1 1 3 LYS HG3 H -0.963 -4.875 -0.157 1.00 . A A . 3 LYS HG3 1 1
9 1762 1 1 3 LYS HZ1 H -3.134 -7.701 -2.487 1.00 . A A . 3 LYS HZ1 1 1
9 1763 1 1 3 LYS HZ2 H -3.049 -7.510 -4.101 1.00 . A A . 3 LYS HZ2 1 1
9 1764 1 1 3 LYS N N 1.727 -4.344 0.004 1.00 . A A . 3 LYS N 1 1
9 1765 1 1 3 LYS NZ N -2.490 -7.658 -3.268 1.00 . A A . 3 LYS NZ 1 1
9 1766 1 1 3 LYS O O -0.784 -1.978 -0.340 1.00 . A A . 3 LYS O 1 1
9 1767 1 1 4 PHE C C 0.330 0.500 1.064 1.00 . A A . 4 PHE C 1 1
9 1768 1 1 4 PHE CA C 0.524 -0.816 1.820 1.00 . A A . 4 PHE CA 1 1
9 1769 1 1 4 PHE CB C 1.537 -0.599 2.945 1.00 . A A . 4 PHE CB 1 1
9 1770 1 1 4 PHE CD1 C 0.105 -1.077 4.943 1.00 . A A . 4 PHE CD1 1 1
9 1771 1 1 4 PHE CD2 C 2.056 -2.363 4.645 1.00 . A A . 4 PHE CD2 1 1
9 1772 1 1 4 PHE CE1 C -0.189 -1.798 6.131 1.00 . A A . 4 PHE CE1 1 1
9 1773 1 1 4 PHE CE2 C 1.762 -3.084 5.833 1.00 . A A . 4 PHE CE2 1 1
9 1774 1 1 4 PHE CG C 1.220 -1.376 4.224 1.00 . A A . 4 PHE CG 1 1
9 1775 1 1 4 PHE CZ C 0.647 -2.786 6.551 1.00 . A A . 4 PHE CZ 1 1
9 1776 1 1 4 PHE H H 2.000 -2.134 1.170 1.00 . A A . 4 PHE H 1 1
9 1777 1 1 4 PHE HA H -0.442 -1.175 2.176 1.00 . A A . 4 PHE HA 1 1
9 1778 1 1 4 PHE HB3 H 1.582 0.464 3.179 1.00 . A A . 4 PHE HB3 1 1
9 1779 1 1 4 PHE HD1 H -0.564 -0.285 4.606 1.00 . A A . 4 PHE HD1 1 1
9 1780 1 1 4 PHE HD2 H 2.950 -2.603 4.069 1.00 . A A . 4 PHE HD2 1 1
9 1781 1 1 4 PHE HE1 H -1.082 -1.559 6.706 1.00 . A A . 4 PHE HE1 1 1
9 1782 1 1 4 PHE HE2 H 2.431 -3.875 6.169 1.00 . A A . 4 PHE HE2 1 1
9 1783 1 1 4 PHE HZ H 0.421 -3.339 7.462 1.00 . A A . 4 PHE HZ 1 1
9 1784 1 1 4 PHE N N 1.070 -1.841 0.947 1.00 . A A . 4 PHE N 1 1
9 1785 1 1 4 PHE O O -0.800 0.900 0.787 1.00 . A A . 4 PHE O 1 1
9 1786 1 1 5 GLU C C 0.859 3.506 0.930 1.00 . A A . 5 GLU C 1 1
9 1787 1 1 5 GLU CA C 1.415 2.399 0.033 1.00 . A A . 5 GLU CA 1 1
9 1788 1 1 5 GLU CB C 0.601 2.276 -1.256 1.00 . A A . 5 GLU CB 1 1
9 1789 1 1 5 GLU CD C 1.562 0.768 -3.036 1.00 . A A . 5 GLU CD 1 1
9 1790 1 1 5 GLU CG C 1.518 2.192 -2.479 1.00 . A A . 5 GLU CG 1 1
9 1791 1 1 5 GLU H H 2.364 0.805 0.979 1.00 . A A . 5 GLU H 1 1
9 1792 1 1 5 GLU HA H 2.454 2.616 -0.221 1.00 . A A . 5 GLU HA 1 1
9 1793 1 1 5 GLU HB2 H -0.029 1.388 -1.208 1.00 . A A . 5 GLU HB2 1 1
9 1794 1 1 5 GLU HB3 H -0.064 3.133 -1.354 1.00 . A A . 5 GLU HB3 1 1
9 1795 1 1 5 GLU HG2 H 1.164 2.878 -3.250 1.00 . A A . 5 GLU HG2 1 1
9 1796 1 1 5 GLU HG3 H 2.524 2.512 -2.206 1.00 . A A . 5 GLU HG3 1 1
9 1797 1 1 5 GLU N N 1.449 1.136 0.751 1.00 . A A . 5 GLU N 1 1
9 1798 1 1 5 GLU O O 0.244 3.227 1.959 1.00 . A A . 5 GLU O 1 1
9 1799 1 1 5 GLU OE1 O 2.587 0.084 -2.907 1.00 . A A . 5 GLU OE1 1 1
9 1800 1 1 6 DTR C C -0.904 5.931 1.157 1.00 . A A . 6 DTR C 1 1
9 1801 1 1 6 DTR CA C 0.621 5.890 1.261 1.00 . A A . 6 DTR CA 1 1
9 1802 1 1 6 DTR CB C 1.042 5.699 2.720 1.00 . A A . 6 DTR CB 1 1
9 1803 1 1 6 DTR CD1 C 2.897 3.917 2.927 1.00 . A A . 6 DTR CD1 1 1
9 1804 1 1 6 DTR CD2 C 3.660 5.994 3.055 1.00 . A A . 6 DTR CD2 1 1
9 1805 1 1 6 DTR CE2 C 4.743 5.147 3.179 1.00 . A A . 6 DTR CE2 1 1
9 1806 1 1 6 DTR CE3 C 3.813 7.390 3.094 1.00 . A A . 6 DTR CE3 1 1
9 1807 1 1 6 DTR CG C 2.473 5.188 2.892 1.00 . A A . 6 DTR CG 1 1
9 1808 1 1 6 DTR CH2 C 6.233 6.990 3.393 1.00 . A A . 6 DTR CH2 1 1
9 1809 1 1 6 DTR CZ2 C 6.056 5.602 3.351 1.00 . A A . 6 DTR CZ2 1 1
9 1810 1 1 6 DTR CZ3 C 5.131 7.829 3.268 1.00 . A A . 6 DTR CZ3 1 1
9 1811 1 1 6 DTR H H 1.592 4.960 -0.330 1.00 . A A . 6 DTR H 1 1
9 1812 1 1 6 DTR HA H 1.096 6.806 0.911 1.00 . A A . 6 DTR HA 1 1
9 1813 1 1 6 DTR HB2 H 0.940 6.649 3.243 1.00 . A A . 6 DTR HB2 1 1
9 1814 1 1 6 DTR HB3 H 0.357 4.998 3.195 1.00 . A A . 6 DTR HB3 1 1
9 1815 1 1 6 DTR HD1 H 2.244 3.049 2.832 1.00 . A A . 6 DTR HD1 1 1
9 1816 1 1 6 DTR HE1 H 4.861 2.933 3.161 1.00 . A A . 6 DTR HE1 1 1
9 1817 1 1 6 DTR HE3 H 2.974 8.079 2.999 1.00 . A A . 6 DTR HE3 1 1
9 1818 1 1 6 DTR HH2 H 7.229 7.411 3.526 1.00 . A A . 6 DTR HH2 1 1
9 1819 1 1 6 DTR HZ2 H 6.895 4.912 3.448 1.00 . A A . 6 DTR HZ2 1 1
9 1820 1 1 6 DTR HZ3 H 5.306 8.904 3.306 1.00 . A A . 6 DTR HZ3 1 1
9 1821 1 1 6 DTR N N 1.093 4.740 0.508 1.00 . A A . 6 DTR N 1 1
9 1822 1 1 6 DTR NE1 N 4.265 3.843 3.099 1.00 . A A . 6 DTR NE1 1 1
9 1823 1 1 6 DTR O O -1.603 5.433 2.039 1.00 . A A . 6 DTR O 1 1
9 1824 1 1 7 IAM C C -3.519 5.323 0.165 1.00 . A A . 7 IAM C 1 1
9 1825 1 1 7 IAM CA C -2.807 6.639 -0.158 1.00 . A A . 7 IAM CA 1 1
9 1826 1 1 7 IAM CB C -2.997 6.957 -1.643 1.00 . A A . 7 IAM CB 1 1
9 1827 1 1 7 IAM CD1 C -2.256 5.006 -3.027 1.00 . A A . 7 IAM CD1 1 1
9 1828 1 1 7 IAM CD2 C -0.843 6.888 -2.917 1.00 . A A . 7 IAM CD2 1 1
9 1829 1 1 7 IAM CE1 C -1.325 4.357 -3.882 1.00 . A A . 7 IAM CE1 1 1
9 1830 1 1 7 IAM CE2 C 0.089 6.239 -3.770 1.00 . A A . 7 IAM CE2 1 1
9 1831 1 1 7 IAM CG C -1.994 6.258 -2.562 1.00 . A A . 7 IAM CG 1 1
9 1832 1 1 7 IAM CI C 3.364 3.945 -5.374 1.00 . A A . 7 IAM CI 1 1
9 1833 1 1 7 IAM CK1 C 3.022 2.590 -6.022 1.00 . A A . 7 IAM CK1 1 1
9 1834 1 1 7 IAM CK2 C 4.579 3.777 -4.444 1.00 . A A . 7 IAM CK2 1 1
9 1835 1 1 7 IAM CT C 0.835 4.285 -5.162 1.00 . A A . 7 IAM CT 1 1
9 1836 1 1 7 IAM CZ C -0.173 4.987 -4.234 1.00 . A A . 7 IAM CZ 1 1
9 1837 1 1 7 IAM H H -0.801 6.929 -0.640 1.00 . A A . 7 IAM H 1 1
9 1838 1 1 7 IAM HA H -3.181 7.422 0.502 1.00 . A A . 7 IAM HA 1 1
9 1839 1 1 7 IAM HB H -4.005 6.671 -1.939 1.00 . A A . 7 IAM HB 1 1
9 1840 1 1 7 IAM HB1 H -2.916 8.035 -1.786 1.00 . A A . 7 IAM HB1 1 1
9 1841 1 1 7 IAM HD1 H -3.180 4.500 -2.743 1.00 . A A . 7 IAM HD1 1 1
9 1842 1 1 7 IAM HD2 H -0.633 7.890 -2.544 1.00 . A A . 7 IAM HD2 1 1
9 1843 1 1 7 IAM HE1 H -1.535 3.355 -4.255 1.00 . A A . 7 IAM HE1 1 1
9 1844 1 1 7 IAM HE2 H 1.013 6.743 -4.055 1.00 . A A . 7 IAM HE2 1 1
9 1845 1 1 7 IAM HH H 2.334 4.882 -3.690 1.00 . A A . 7 IAM HH 1 1
9 1846 1 1 7 IAM HI H 3.611 4.652 -6.137 1.00 . A A . 7 IAM HI 1 1
9 1847 1 1 7 IAM HK11 H 2.790 1.878 -5.256 1.00 . A A . 7 IAM HK11 1 1
9 1848 1 1 7 IAM HK12 H 2.178 2.706 -6.668 1.00 . A A . 7 IAM HK12 1 1
9 1849 1 1 7 IAM HK13 H 3.860 2.243 -6.589 1.00 . A A . 7 IAM HK13 1 1
9 1850 1 1 7 IAM HK21 H 4.978 2.789 -4.552 1.00 . A A . 7 IAM HK21 1 1
9 1851 1 1 7 IAM HK22 H 5.329 4.495 -4.702 1.00 . A A . 7 IAM HK22 1 1
9 1852 1 1 7 IAM HK23 H 4.277 3.929 -3.430 1.00 . A A . 7 IAM HK23 1 1
9 1853 1 1 7 IAM HT1 H 0.791 4.728 -6.136 1.00 . A A . 7 IAM HT1 1 1
9 1854 1 1 7 IAM HT2 H 0.592 3.243 -5.231 1.00 . A A . 7 IAM HT2 1 1
9 1855 1 1 7 IAM N N -1.377 6.528 0.072 1.00 . A A . 7 IAM N 1 1
9 1856 1 1 7 IAM NH N 2.197 4.434 -4.609 1.00 . A A . 7 IAM NH 1 1
9 1857 1 1 7 IAM O O -4.548 5.318 0.839 1.00 . A A . 7 IAM O 1 1
9 1858 1 1 8 THR C C -2.944 2.310 1.178 1.00 . A A . 8 THR C 1 1
9 1859 1 1 8 THR CA C -3.509 2.919 -0.107 1.00 . A A . 8 THR CA 1 1
9 1860 1 1 8 THR CB C -3.242 2.070 -1.350 1.00 . A A . 8 THR CB 1 1
9 1861 1 1 8 THR CG2 C -4.348 2.200 -2.398 1.00 . A A . 8 THR CG2 1 1
9 1862 1 1 8 THR H H -2.106 4.251 -0.881 1.00 . A A . 8 THR H 1 1
9 1863 1 1 8 THR HA H -4.583 3.028 0.036 1.00 . A A . 8 THR HA 1 1
9 1864 1 1 8 THR HB H -3.080 1.027 -1.082 1.00 . A A . 8 THR HB 1 1
9 1865 1 1 8 THR HG1 H -1.634 2.035 -2.544 1.00 . A A . 8 THR HG1 1 1
9 1866 1 1 8 THR HG21 H -3.935 2.015 -3.390 1.00 . A A . 8 THR HG21 1 1
9 1867 1 1 8 THR HG22 H -5.133 1.472 -2.190 1.00 . A A . 8 THR HG22 1 1
9 1868 1 1 8 THR HG23 H -4.768 3.206 -2.361 1.00 . A A . 8 THR HG23 1 1
9 1869 1 1 8 THR N N -2.942 4.239 -0.333 1.00 . A A . 8 THR N 1 1
9 1870 1 1 8 THR O O -2.125 2.930 1.856 1.00 . A A . 8 THR O 1 1
9 1871 1 1 8 THR OG1 O -2.113 2.692 -1.958 1.00 . A A . 8 THR OG1 1 1
9 1872 1 1 9 PHE C C -3.523 -1.016 2.715 1.00 . A A . 9 PHE C 1 1
9 1873 1 1 9 PHE CA C -2.956 0.404 2.667 1.00 . A A . 9 PHE CA 1 1
9 1874 1 1 9 PHE CB C -3.480 1.191 3.871 1.00 . A A . 9 PHE CB 1 1
9 1875 1 1 9 PHE CD1 C -1.225 1.966 4.641 1.00 . A A . 9 PHE CD1 1 1
9 1876 1 1 9 PHE CD2 C -2.712 1.103 6.253 1.00 . A A . 9 PHE CD2 1 1
9 1877 1 1 9 PHE CE1 C -0.255 2.187 5.652 1.00 . A A . 9 PHE CE1 1 1
9 1878 1 1 9 PHE CE2 C -1.741 1.325 7.265 1.00 . A A . 9 PHE CE2 1 1
9 1879 1 1 9 PHE CG C -2.433 1.429 4.963 1.00 . A A . 9 PHE CG 1 1
9 1880 1 1 9 PHE CZ C -0.532 1.862 6.943 1.00 . A A . 9 PHE CZ 1 1
9 1881 1 1 9 PHE H H -4.070 0.609 0.920 1.00 . A A . 9 PHE H 1 1
9 1882 1 1 9 PHE HA H -1.868 0.359 2.625 1.00 . A A . 9 PHE HA 1 1
9 1883 1 1 9 PHE HB3 H -4.323 0.653 4.304 1.00 . A A . 9 PHE HB3 1 1
9 1884 1 1 9 PHE HD1 H -1.003 2.228 3.606 1.00 . A A . 9 PHE HD1 1 1
9 1885 1 1 9 PHE HD2 H -3.680 0.673 6.510 1.00 . A A . 9 PHE HD2 1 1
9 1886 1 1 9 PHE HE1 H 0.712 2.616 5.396 1.00 . A A . 9 PHE HE1 1 1
9 1887 1 1 9 PHE HE2 H -1.962 1.064 8.300 1.00 . A A . 9 PHE HE2 1 1
9 1888 1 1 9 PHE HZ H 0.212 2.031 7.721 1.00 . A A . 9 PHE HZ 1 1
9 1889 1 1 9 PHE N N -3.404 1.105 1.475 1.00 . A A . 9 PHE N 1 1
9 1890 1 1 9 PHE O O -3.799 -1.542 3.792 1.00 . A A . 9 PHE O 1 1
9 1891 1 1 10 . C C -3.055 -3.949 1.527 1.00 . A A . 10 HHK C 1 1
9 1892 1 1 10 . CA C -4.205 -2.946 1.427 1.00 . A A . 10 HHK CA 1 1
9 1893 1 1 10 . CB C -5.042 -3.094 0.156 1.00 . A A . 10 HHK CB 1 1
9 1894 1 1 10 . CD C -4.378 -2.107 -2.066 1.00 . A A . 10 HHK CD 1 1
9 1895 1 1 10 . CE C -3.211 -1.991 -3.049 1.00 . A A . 10 HHK CE 1 1
9 1896 1 1 10 . CG C -4.147 -3.250 -1.075 1.00 . A A . 10 HHK CG 1 1
9 1897 1 1 10 . CT C -0.868 -1.090 -3.195 1.00 . A A . 10 HHK CT 1 1
9 1898 1 1 10 . CZ C -2.272 -0.851 -2.613 1.00 . A A . 10 HHK CZ 1 1
9 1899 1 1 10 . H H -3.450 -1.162 0.663 1.00 . A A . 10 HHK H 1 1
9 1900 1 1 10 . HA H -4.874 -3.103 2.274 1.00 . A A . 10 HHK HA 1 1
9 1901 1 1 10 . HB2 H -5.696 -3.962 0.246 1.00 . A A . 10 HHK HB2 1 1
9 1902 1 1 10 . HB3 H -5.685 -2.223 0.035 1.00 . A A . 10 HHK HB3 1 1
9 1903 1 1 10 . HD2 H -5.304 -2.278 -2.616 1.00 . A A . 10 HHK HD2 1 1
9 1904 1 1 10 . HD3 H -4.496 -1.168 -1.526 1.00 . A A . 10 HHK HD3 1 1
9 1905 1 1 10 . HE2 H -2.664 -2.933 -3.088 1.00 . A A . 10 HHK HE2 1 1
9 1906 1 1 10 . HE3 H -3.590 -1.800 -4.054 1.00 . A A . 10 HHK HE3 1 1
9 1907 1 1 10 . HG2 H -3.101 -3.264 -0.768 1.00 . A A . 10 HHK HG2 1 1
9 1908 1 1 10 . HG3 H -4.352 -4.204 -1.560 1.00 . A A . 10 HHK HG3 1 1
9 1909 1 1 10 . HH2 H -1.124 0.796 -3.957 1.00 . A A . 10 HHK HH2 1 1
9 1910 1 1 10 . HT1 H -0.919 -1.839 -3.957 1.00 . A A . 10 HHK HT1 1 1
9 1911 1 1 10 . HT2 H -0.213 -1.420 -2.417 1.00 . A A . 10 HHK HT2 1 1
9 1912 1 1 10 . HZ2 H -2.655 0.080 -2.972 1.00 . A A . 10 HHK HZ2 1 1
9 1913 1 1 10 . HZ3 H -2.216 -0.825 -1.544 1.00 . A A . 10 HHK HZ3 1 1
9 1914 1 1 10 . N N -3.677 -1.596 1.534 1.00 . A A . 10 HHK N 1 1
9 1915 1 1 10 . NH N -0.353 0.170 -3.773 1.00 . A A . 10 HHK NH 1 1
9 1916 1 1 10 . O O -2.972 -4.886 0.733 1.00 . A A . 10 HHK O 1 1
9 1917 1 1 11 SER C C -1.485 -6.055 2.625 1.00 . A A . 11 SER C 1 1
9 1918 1 1 11 SER CA C -1.051 -4.591 2.721 1.00 . A A . 11 SER CA 1 1
9 1919 1 1 11 SER CB C -0.398 -4.320 4.077 1.00 . A A . 11 SER CB 1 1
9 1920 1 1 11 SER H H -2.269 -2.956 3.150 1.00 . A A . 11 SER H 1 1
9 1921 1 1 11 SER HA H -0.349 -4.347 1.924 1.00 . A A . 11 SER HA 1 1
9 1922 1 1 11 SER HB3 H -0.502 -3.263 4.327 1.00 . A A . 11 SER HB3 1 1
9 1923 1 1 11 SER HG H -1.671 -4.585 5.599 1.00 . A A . 11 SER HG 1 1
9 1924 1 1 11 SER N N -2.195 -3.718 2.509 1.00 . A A . 11 SER N 1 1
9 1925 1 1 11 SER O O -2.272 -6.528 3.442 1.00 . A A . 11 SER O 1 1
9 1926 1 1 11 SER OG O -0.972 -5.109 5.116 1.00 . A A . 11 SER OG 1 1
9 1927 1 1 12 CYS C C -2.776 -8.318 1.622 1.00 . A A . 12 CYS C 1 1
9 1928 1 1 12 CYS CA C -1.274 -8.131 1.401 1.00 . A A . 12 CYS CA 1 1
9 1929 1 1 12 CYS CB C -0.446 -9.047 2.307 1.00 . A A . 12 CYS CB 1 1
9 1930 1 1 12 CYS H H -0.314 -6.338 0.956 1.00 . A A . 12 CYS H 1 1
9 1931 1 1 12 CYS HA H -1.002 -8.361 0.371 1.00 . A A . 12 CYS HA 1 1
9 1932 1 1 12 CYS HB3 H -0.832 -10.063 2.222 1.00 . A A . 12 CYS HB3 1 1
9 1933 1 1 12 CYS N N -0.952 -6.731 1.617 1.00 . A A . 12 CYS N 1 1
9 1934 1 1 12 CYS O O -3.195 -9.239 2.321 1.00 . A A . 12 CYS O 1 1
9 1935 1 1 12 CYS SG S 1.346 -9.068 1.944 1.00 . A A . 12 CYS SG 1 1
10 1936 1 1 1 TYR C C 5.372 -6.807 0.342 1.00 . A A . 1 TYR C 1 1
10 1937 1 1 1 TYR CA C 6.815 -6.301 0.394 1.00 . A A . 1 TYR CA 1 1
10 1938 1 1 1 TYR CB C 6.883 -4.920 -0.262 1.00 . A A . 1 TYR CB 1 1
10 1939 1 1 1 TYR CD1 C 7.943 -5.128 -2.539 1.00 . A A . 1 TYR CD1 1 1
10 1940 1 1 1 TYR CD2 C 5.579 -4.805 -2.417 1.00 . A A . 1 TYR CD2 1 1
10 1941 1 1 1 TYR CE1 C 7.865 -5.158 -3.976 1.00 . A A . 1 TYR CE1 1 1
10 1942 1 1 1 TYR CE2 C 5.499 -4.835 -3.855 1.00 . A A . 1 TYR CE2 1 1
10 1943 1 1 1 TYR CG C 6.799 -4.952 -1.789 1.00 . A A . 1 TYR CG 1 1
10 1944 1 1 1 TYR CZ C 6.648 -5.010 -4.564 1.00 . A A . 1 TYR CZ 1 1
10 1945 1 1 1 TYR H1 H 8.642 -7.189 -0.066 1.00 . A A . 1 TYR H1 1 1
10 1946 1 1 1 TYR HA H 7.159 -6.315 1.428 1.00 . A A . 1 TYR HA 1 1
10 1947 1 1 1 TYR HB3 H 7.813 -4.436 0.031 1.00 . A A . 1 TYR HB3 1 1
10 1948 1 1 1 TYR HD1 H 8.908 -5.245 -2.044 1.00 . A A . 1 TYR HD1 1 1
10 1949 1 1 1 TYR HD2 H 4.674 -4.666 -1.824 1.00 . A A . 1 TYR HD2 1 1
10 1950 1 1 1 TYR HE1 H 8.761 -5.296 -4.582 1.00 . A A . 1 TYR HE1 1 1
10 1951 1 1 1 TYR HE2 H 4.542 -4.719 -4.362 1.00 . A A . 1 TYR HE2 1 1
10 1952 1 1 1 TYR HH H 6.212 -5.920 -6.226 1.00 . A A . 1 TYR HH 1 1
10 1953 1 1 1 TYR N N 7.694 -7.158 -0.383 1.00 . A A . 1 TYR N 1 1
10 1954 1 1 1 TYR O O 5.108 -7.888 -0.183 1.00 . A A . 1 TYR O 1 1
10 1955 1 1 1 TYR OH O 6.572 -5.038 -5.921 1.00 . A A . 1 TYR OH 1 1
10 1956 1 1 2 CYS C C 2.328 -5.442 -0.064 1.00 . A A . 2 CYS C 1 1
10 1957 1 1 2 CYS CA C 3.066 -6.354 0.918 1.00 . A A . 2 CYS CA 1 1
10 1958 1 1 2 CYS CB C 2.485 -6.262 2.328 1.00 . A A . 2 CYS CB 1 1
10 1959 1 1 2 CYS H H 4.700 -5.124 1.319 1.00 . A A . 2 CYS H 1 1
10 1960 1 1 2 CYS HA H 3.000 -7.396 0.604 1.00 . A A . 2 CYS HA 1 1
10 1961 1 1 2 CYS HB3 H 1.600 -5.626 2.303 1.00 . A A . 2 CYS HB3 1 1
10 1962 1 1 2 CYS N N 4.477 -6.001 0.894 1.00 . A A . 2 CYS N 1 1
10 1963 1 1 2 CYS O O 2.129 -5.803 -1.224 1.00 . A A . 2 CYS O 1 1
10 1964 1 1 2 CYS SG S 2.024 -7.871 3.074 1.00 . A A . 2 CYS SG 1 1
10 1965 1 1 3 LYS C C 0.704 -2.183 0.507 1.00 . A A . 3 LYS C 1 1
10 1966 1 1 3 LYS CA C 1.227 -3.312 -0.383 1.00 . A A . 3 LYS CA 1 1
10 1967 1 1 3 LYS CB C 0.135 -4.005 -1.200 1.00 . A A . 3 LYS CB 1 1
10 1968 1 1 3 LYS CD C -0.298 -5.067 -3.447 1.00 . A A . 3 LYS CD 1 1
10 1969 1 1 3 LYS CE C 0.093 -5.089 -4.925 1.00 . A A . 3 LYS CE 1 1
10 1970 1 1 3 LYS CG C 0.466 -3.976 -2.693 1.00 . A A . 3 LYS CG 1 1
10 1971 1 1 3 LYS H H 2.104 -3.992 1.380 1.00 . A A . 3 LYS H 1 1
10 1972 1 1 3 LYS HA H 1.942 -2.892 -1.090 1.00 . A A . 3 LYS HA 1 1
10 1973 1 1 3 LYS HB3 H -0.823 -3.514 -1.025 1.00 . A A . 3 LYS HB3 1 1
10 1974 1 1 3 LYS HD3 H -1.371 -4.895 -3.353 1.00 . A A . 3 LYS HD3 1 1
10 1975 1 1 3 LYS HE3 H 1.075 -5.548 -5.041 1.00 . A A . 3 LYS HE3 1 1
10 1976 1 1 3 LYS HG3 H 1.537 -4.111 -2.835 1.00 . A A . 3 LYS HG3 1 1
10 1977 1 1 3 LYS HZ1 H -1.788 -5.935 -5.222 1.00 . A A . 3 LYS HZ1 1 1
10 1978 1 1 3 LYS HZ2 H -1.114 -5.387 -6.597 1.00 . A A . 3 LYS HZ2 1 1
10 1979 1 1 3 LYS N N 1.939 -4.278 0.437 1.00 . A A . 3 LYS N 1 1
10 1980 1 1 3 LYS NZ N -0.907 -5.841 -5.715 1.00 . A A . 3 LYS NZ 1 1
10 1981 1 1 3 LYS O O -0.447 -1.770 0.383 1.00 . A A . 3 LYS O 1 1
10 1982 1 1 4 PHE C C 0.613 0.542 1.541 1.00 . A A . 4 PHE C 1 1
10 1983 1 1 4 PHE CA C 1.220 -0.642 2.299 1.00 . A A . 4 PHE CA 1 1
10 1984 1 1 4 PHE CB C 2.510 -0.185 2.983 1.00 . A A . 4 PHE CB 1 1
10 1985 1 1 4 PHE CD1 C 2.545 -2.039 4.665 1.00 . A A . 4 PHE CD1 1 1
10 1986 1 1 4 PHE CD2 C 2.958 0.152 5.424 1.00 . A A . 4 PHE CD2 1 1
10 1987 1 1 4 PHE CE1 C 2.700 -2.527 5.990 1.00 . A A . 4 PHE CE1 1 1
10 1988 1 1 4 PHE CE2 C 3.112 -0.336 6.747 1.00 . A A . 4 PHE CE2 1 1
10 1989 1 1 4 PHE CG C 2.676 -0.710 4.409 1.00 . A A . 4 PHE CG 1 1
10 1990 1 1 4 PHE CZ C 2.979 -1.665 7.003 1.00 . A A . 4 PHE CZ 1 1
10 1991 1 1 4 PHE H H 2.513 -2.055 1.484 1.00 . A A . 4 PHE H 1 1
10 1992 1 1 4 PHE HA H 0.482 -1.039 2.996 1.00 . A A . 4 PHE HA 1 1
10 1993 1 1 4 PHE HB3 H 2.534 0.905 3.002 1.00 . A A . 4 PHE HB3 1 1
10 1994 1 1 4 PHE HD1 H 2.320 -2.731 3.852 1.00 . A A . 4 PHE HD1 1 1
10 1995 1 1 4 PHE HD2 H 3.063 1.218 5.219 1.00 . A A . 4 PHE HD2 1 1
10 1996 1 1 4 PHE HE1 H 2.593 -3.592 6.194 1.00 . A A . 4 PHE HE1 1 1
10 1997 1 1 4 PHE HE2 H 3.337 0.356 7.561 1.00 . A A . 4 PHE HE2 1 1
10 1998 1 1 4 PHE HZ H 3.098 -2.039 8.021 1.00 . A A . 4 PHE HZ 1 1
10 1999 1 1 4 PHE N N 1.578 -1.715 1.388 1.00 . A A . 4 PHE N 1 1
10 2000 1 1 4 PHE O O -0.187 1.294 2.095 1.00 . A A . 4 PHE O 1 1
10 2001 1 1 5 GLU C C 0.807 3.102 0.100 1.00 . A A . 5 GLU C 1 1
10 2002 1 1 5 GLU CA C 0.523 1.747 -0.554 1.00 . A A . 5 GLU CA 1 1
10 2003 1 1 5 GLU CB C -0.971 1.579 -0.842 1.00 . A A . 5 GLU CB 1 1
10 2004 1 1 5 GLU CD C -0.671 0.100 -2.862 1.00 . A A . 5 GLU CD 1 1
10 2005 1 1 5 GLU CG C -1.227 1.427 -2.342 1.00 . A A . 5 GLU CG 1 1
10 2006 1 1 5 GLU H H 1.669 0.053 -0.157 1.00 . A A . 5 GLU H 1 1
10 2007 1 1 5 GLU HA H 1.079 1.664 -1.488 1.00 . A A . 5 GLU HA 1 1
10 2008 1 1 5 GLU HB2 H -1.348 0.704 -0.313 1.00 . A A . 5 GLU HB2 1 1
10 2009 1 1 5 GLU HB3 H -1.516 2.442 -0.460 1.00 . A A . 5 GLU HB3 1 1
10 2010 1 1 5 GLU HG2 H -2.297 1.480 -2.538 1.00 . A A . 5 GLU HG2 1 1
10 2011 1 1 5 GLU HG3 H -0.763 2.255 -2.878 1.00 . A A . 5 GLU HG3 1 1
10 2012 1 1 5 GLU N N 1.017 0.669 0.286 1.00 . A A . 5 GLU N 1 1
10 2013 1 1 5 GLU O O 1.063 3.174 1.300 1.00 . A A . 5 GLU O 1 1
10 2014 1 1 5 GLU OE1 O 0.285 0.096 -3.653 1.00 . A A . 5 GLU OE1 1 1
10 2015 1 1 6 DTR C C -0.158 5.882 0.683 1.00 . A A . 6 DTR C 1 1
10 2016 1 1 6 DTR CA C 1.001 5.488 -0.238 1.00 . A A . 6 DTR CA 1 1
10 2017 1 1 6 DTR CB C 2.311 5.468 0.552 1.00 . A A . 6 DTR CB 1 1
10 2018 1 1 6 DTR CD1 C 3.679 3.346 0.021 1.00 . A A . 6 DTR CD1 1 1
10 2019 1 1 6 DTR CD2 C 4.428 5.153 -1.020 1.00 . A A . 6 DTR CD2 1 1
10 2020 1 1 6 DTR CE2 C 5.240 4.098 -1.388 1.00 . A A . 6 DTR CE2 1 1
10 2021 1 1 6 DTR CE3 C 4.643 6.450 -1.517 1.00 . A A . 6 DTR CE3 1 1
10 2022 1 1 6 DTR CG C 3.424 4.654 -0.111 1.00 . A A . 6 DTR CG 1 1
10 2023 1 1 6 DTR CH2 C 6.554 5.516 -2.773 1.00 . A A . 6 DTR CH2 1 1
10 2024 1 1 6 DTR CZ2 C 6.322 4.232 -2.266 1.00 . A A . 6 DTR CZ2 1 1
10 2025 1 1 6 DTR CZ3 C 5.729 6.567 -2.394 1.00 . A A . 6 DTR CZ3 1 1
10 2026 1 1 6 DTR H H 0.543 4.073 -1.696 1.00 . A A . 6 DTR H 1 1
10 2027 1 1 6 DTR HA H 1.140 6.182 -1.067 1.00 . A A . 6 DTR HA 1 1
10 2028 1 1 6 DTR HB2 H 2.657 6.494 0.687 1.00 . A A . 6 DTR HB2 1 1
10 2029 1 1 6 DTR HB3 H 2.120 5.061 1.546 1.00 . A A . 6 DTR HB3 1 1
10 2030 1 1 6 DTR HD1 H 3.098 2.667 0.646 1.00 . A A . 6 DTR HD1 1 1
10 2031 1 1 6 DTR HE1 H 5.186 1.960 -0.805 1.00 . A A . 6 DTR HE1 1 1
10 2032 1 1 6 DTR HE3 H 4.018 7.297 -1.243 1.00 . A A . 6 DTR HE3 1 1
10 2033 1 1 6 DTR HH2 H 7.382 5.690 -3.463 1.00 . A A . 6 DTR HH2 1 1
10 2034 1 1 6 DTR HZ2 H 6.949 3.384 -2.539 1.00 . A A . 6 DTR HZ2 1 1
10 2035 1 1 6 DTR HZ3 H 5.940 7.553 -2.809 1.00 . A A . 6 DTR HZ3 1 1
10 2036 1 1 6 DTR N N 0.753 4.141 -0.720 1.00 . A A . 6 DTR N 1 1
10 2037 1 1 6 DTR NE1 N 4.770 2.965 -0.733 1.00 . A A . 6 DTR NE1 1 1
10 2038 1 1 6 DTR O O -0.051 5.772 1.902 1.00 . A A . 6 DTR O 1 1
10 2039 1 1 7 IAM C C -3.279 5.534 1.175 1.00 . A A . 7 IAM C 1 1
10 2040 1 1 7 IAM CA C -2.413 6.742 0.809 1.00 . A A . 7 IAM CA 1 1
10 2041 1 1 7 IAM CB C -3.219 7.673 -0.101 1.00 . A A . 7 IAM CB 1 1
10 2042 1 1 7 IAM CD1 C -4.701 6.310 -1.589 1.00 . A A . 7 IAM CD1 1 1
10 2043 1 1 7 IAM CD2 C -2.769 7.274 -2.531 1.00 . A A . 7 IAM CD2 1 1
10 2044 1 1 7 IAM CE1 C -5.033 5.744 -2.848 1.00 . A A . 7 IAM CE1 1 1
10 2045 1 1 7 IAM CE2 C -3.101 6.708 -3.791 1.00 . A A . 7 IAM CE2 1 1
10 2046 1 1 7 IAM CG C -3.576 7.063 -1.458 1.00 . A A . 7 IAM CG 1 1
10 2047 1 1 7 IAM CI C -3.144 3.426 -6.193 1.00 . A A . 7 IAM CI 1 1
10 2048 1 1 7 IAM CK1 C -1.711 3.189 -6.701 1.00 . A A . 7 IAM CK1 1 1
10 2049 1 1 7 IAM CK2 C -4.151 2.909 -7.236 1.00 . A A . 7 IAM CK2 1 1
10 2050 1 1 7 IAM CT C -4.584 5.342 -5.288 1.00 . A A . 7 IAM CT 1 1
10 2051 1 1 7 IAM CZ C -4.225 5.955 -3.922 1.00 . A A . 7 IAM CZ 1 1
10 2052 1 1 7 IAM H H -1.316 6.419 -0.932 1.00 . A A . 7 IAM H 1 1
10 2053 1 1 7 IAM HA H -2.066 7.227 1.720 1.00 . A A . 7 IAM HA 1 1
10 2054 1 1 7 IAM HB H -4.138 7.958 0.411 1.00 . A A . 7 IAM HB 1 1
10 2055 1 1 7 IAM HB1 H -2.649 8.588 -0.264 1.00 . A A . 7 IAM HB1 1 1
10 2056 1 1 7 IAM HD1 H -5.347 6.141 -0.728 1.00 . A A . 7 IAM HD1 1 1
10 2057 1 1 7 IAM HD2 H -1.868 7.877 -2.425 1.00 . A A . 7 IAM HD2 1 1
10 2058 1 1 7 IAM HE1 H -5.935 5.140 -2.955 1.00 . A A . 7 IAM HE1 1 1
10 2059 1 1 7 IAM HE2 H -2.453 6.877 -4.651 1.00 . A A . 7 IAM HE2 1 1
10 2060 1 1 7 IAM HH H -2.638 5.550 -6.256 1.00 . A A . 7 IAM HH 1 1
10 2061 1 1 7 IAM HI H -3.292 2.890 -5.279 1.00 . A A . 7 IAM HI 1 1
10 2062 1 1 7 IAM HK11 H -1.568 3.713 -7.624 1.00 . A A . 7 IAM HK11 1 1
10 2063 1 1 7 IAM HK12 H -1.010 3.550 -5.978 1.00 . A A . 7 IAM HK12 1 1
10 2064 1 1 7 IAM HK13 H -1.555 2.142 -6.858 1.00 . A A . 7 IAM HK13 1 1
10 2065 1 1 7 IAM HK21 H -4.184 3.582 -8.067 1.00 . A A . 7 IAM HK21 1 1
10 2066 1 1 7 IAM HK22 H -3.851 1.939 -7.575 1.00 . A A . 7 IAM HK22 1 1
10 2067 1 1 7 IAM HK23 H -5.123 2.844 -6.792 1.00 . A A . 7 IAM HK23 1 1
10 2068 1 1 7 IAM HT1 H -5.062 6.084 -5.895 1.00 . A A . 7 IAM HT1 1 1
10 2069 1 1 7 IAM HT2 H -5.250 4.514 -5.145 1.00 . A A . 7 IAM HT2 1 1
10 2070 1 1 7 IAM N N -1.237 6.331 0.061 1.00 . A A . 7 IAM N 1 1
10 2071 1 1 7 IAM NH N -3.351 4.871 -5.955 1.00 . A A . 7 IAM NH 1 1
10 2072 1 1 7 IAM O O -4.069 5.595 2.116 1.00 . A A . 7 IAM O 1 1
10 2073 1 1 8 THR C C -3.116 2.345 1.637 1.00 . A A . 8 THR C 1 1
10 2074 1 1 8 THR CA C -3.854 3.246 0.646 1.00 . A A . 8 THR CA 1 1
10 2075 1 1 8 THR CB C -4.109 2.581 -0.707 1.00 . A A . 8 THR CB 1 1
10 2076 1 1 8 THR CG2 C -5.493 2.910 -1.272 1.00 . A A . 8 THR CG2 1 1
10 2077 1 1 8 THR H H -2.457 4.425 -0.349 1.00 . A A . 8 THR H 1 1
10 2078 1 1 8 THR HA H -4.806 3.513 1.105 1.00 . A A . 8 THR HA 1 1
10 2079 1 1 8 THR HB H -3.960 1.502 -0.647 1.00 . A A . 8 THR HB 1 1
10 2080 1 1 8 THR HG1 H -3.588 4.121 -1.874 1.00 . A A . 8 THR HG1 1 1
10 2081 1 1 8 THR HG21 H -6.206 2.148 -0.951 1.00 . A A . 8 THR HG21 1 1
10 2082 1 1 8 THR HG22 H -5.813 3.884 -0.903 1.00 . A A . 8 THR HG22 1 1
10 2083 1 1 8 THR HG23 H -5.448 2.930 -2.360 1.00 . A A . 8 THR HG23 1 1
10 2084 1 1 8 THR N N -3.100 4.465 0.413 1.00 . A A . 8 THR N 1 1
10 2085 1 1 8 THR O O -2.092 2.736 2.196 1.00 . A A . 8 THR O 1 1
10 2086 1 1 8 THR OG1 O -3.207 3.241 -1.594 1.00 . A A . 8 THR OG1 1 1
10 2087 1 1 9 PHE C C -3.654 -1.207 2.521 1.00 . A A . 9 PHE C 1 1
10 2088 1 1 9 PHE CA C -3.071 0.191 2.739 1.00 . A A . 9 PHE CA 1 1
10 2089 1 1 9 PHE CB C -3.406 0.656 4.157 1.00 . A A . 9 PHE CB 1 1
10 2090 1 1 9 PHE CD1 C -1.668 -0.220 5.733 1.00 . A A . 9 PHE CD1 1 1
10 2091 1 1 9 PHE CD2 C -1.612 2.069 5.183 1.00 . A A . 9 PHE CD2 1 1
10 2092 1 1 9 PHE CE1 C -0.533 -0.046 6.567 1.00 . A A . 9 PHE CE1 1 1
10 2093 1 1 9 PHE CE2 C -0.478 2.243 6.018 1.00 . A A . 9 PHE CE2 1 1
10 2094 1 1 9 PHE CG C -2.183 0.842 5.057 1.00 . A A . 9 PHE CG 1 1
10 2095 1 1 9 PHE CZ C 0.038 1.181 6.692 1.00 . A A . 9 PHE CZ 1 1
10 2096 1 1 9 PHE H H -4.497 0.840 1.367 1.00 . A A . 9 PHE H 1 1
10 2097 1 1 9 PHE HA H -2.000 0.171 2.536 1.00 . A A . 9 PHE HA 1 1
10 2098 1 1 9 PHE HB3 H -4.077 -0.072 4.618 1.00 . A A . 9 PHE HB3 1 1
10 2099 1 1 9 PHE HD1 H -2.126 -1.205 5.632 1.00 . A A . 9 PHE HD1 1 1
10 2100 1 1 9 PHE HD2 H -2.025 2.921 4.641 1.00 . A A . 9 PHE HD2 1 1
10 2101 1 1 9 PHE HE1 H -0.119 -0.898 7.109 1.00 . A A . 9 PHE HE1 1 1
10 2102 1 1 9 PHE HE2 H -0.019 3.227 6.118 1.00 . A A . 9 PHE HE2 1 1
10 2103 1 1 9 PHE HZ H 0.910 1.313 7.334 1.00 . A A . 9 PHE HZ 1 1
10 2104 1 1 9 PHE N N -3.665 1.152 1.826 1.00 . A A . 9 PHE N 1 1
10 2105 1 1 9 PHE O O -3.823 -1.968 3.472 1.00 . A A . 9 PHE O 1 1
10 2106 1 1 10 . C C -3.816 -3.887 1.721 1.00 . A A . 10 HHK C 1 1
10 2107 1 1 10 . CA C -4.509 -2.794 0.907 1.00 . A A . 10 HHK CA 1 1
10 2108 1 1 10 . CB C -4.436 -3.011 -0.605 1.00 . A A . 10 HHK CB 1 1
10 2109 1 1 10 . CD C -6.271 -1.619 -1.631 1.00 . A A . 10 HHK CD 1 1
10 2110 1 1 10 . CE C -5.667 -1.224 -2.979 1.00 . A A . 10 HHK CE 1 1
10 2111 1 1 10 . CG C -5.834 -3.029 -1.226 1.00 . A A . 10 HHK CG 1 1
10 2112 1 1 10 . CT C -3.180 -1.369 -3.319 1.00 . A A . 10 HHK CT 1 1
10 2113 1 1 10 . CZ C -4.324 -0.505 -2.758 1.00 . A A . 10 HHK CZ 1 1
10 2114 1 1 10 . H H -3.808 -0.875 0.495 1.00 . A A . 10 HHK H 1 1
10 2115 1 1 10 . HA H -5.565 -2.777 1.179 1.00 . A A . 10 HHK HA 1 1
10 2116 1 1 10 . HB2 H -3.841 -2.221 -1.063 1.00 . A A . 10 HHK HB2 1 1
10 2117 1 1 10 . HB3 H -3.928 -3.953 -0.815 1.00 . A A . 10 HHK HB3 1 1
10 2118 1 1 10 . HD2 H -7.358 -1.576 -1.688 1.00 . A A . 10 HHK HD2 1 1
10 2119 1 1 10 . HD3 H -5.964 -0.906 -0.866 1.00 . A A . 10 HHK HD3 1 1
10 2120 1 1 10 . HE2 H -5.521 -2.111 -3.593 1.00 . A A . 10 HHK HE2 1 1
10 2121 1 1 10 . HE3 H -6.358 -0.573 -3.516 1.00 . A A . 10 HHK HE3 1 1
10 2122 1 1 10 . HG2 H -5.839 -3.680 -2.100 1.00 . A A . 10 HHK HG2 1 1
10 2123 1 1 10 . HG3 H -6.546 -3.445 -0.513 1.00 . A A . 10 HHK HG3 1 1
10 2124 1 1 10 . HH2 H -2.159 -0.648 -1.693 1.00 . A A . 10 HHK HH2 1 1
10 2125 1 1 10 . HT1 H -2.825 -0.942 -4.234 1.00 . A A . 10 HHK HT1 1 1
10 2126 1 1 10 . HT2 H -3.541 -2.358 -3.505 1.00 . A A . 10 HHK HT2 1 1
10 2127 1 1 10 . HZ2 H -4.340 0.438 -3.260 1.00 . A A . 10 HHK HZ2 1 1
10 2128 1 1 10 . HZ3 H -4.171 -0.348 -1.710 1.00 . A A . 10 HHK HZ3 1 1
10 2129 1 1 10 . N N -3.948 -1.501 1.262 1.00 . A A . 10 HHK N 1 1
10 2130 1 1 10 . NH N -2.075 -1.422 -2.337 1.00 . A A . 10 HHK NH 1 1
10 2131 1 1 10 . O O -4.461 -4.828 2.180 1.00 . A A . 10 HHK O 1 1
10 2132 1 1 11 SER C C -1.903 -6.089 2.036 1.00 . A A . 11 SER C 1 1
10 2133 1 1 11 SER CA C -1.722 -4.689 2.627 1.00 . A A . 11 SER CA 1 1
10 2134 1 1 11 SER CB C -2.109 -4.684 4.107 1.00 . A A . 11 SER CB 1 1
10 2135 1 1 11 SER H H -1.992 -2.959 1.499 1.00 . A A . 11 SER H 1 1
10 2136 1 1 11 SER HA H -0.687 -4.361 2.522 1.00 . A A . 11 SER HA 1 1
10 2137 1 1 11 SER HB3 H -1.920 -5.668 4.535 1.00 . A A . 11 SER HB3 1 1
10 2138 1 1 11 SER HG H -0.811 -4.139 5.530 1.00 . A A . 11 SER HG 1 1
10 2139 1 1 11 SER N N -2.510 -3.727 1.876 1.00 . A A . 11 SER N 1 1
10 2140 1 1 11 SER O O -2.966 -6.693 2.177 1.00 . A A . 11 SER O 1 1
10 2141 1 1 11 SER OG O -1.389 -3.700 4.845 1.00 . A A . 11 SER OG 1 1
10 2142 1 1 12 CYS C C -1.551 -8.850 1.751 1.00 . A A . 12 CYS C 1 1
10 2143 1 1 12 CYS CA C -0.878 -7.880 0.777 1.00 . A A . 12 CYS CA 1 1
10 2144 1 1 12 CYS CB C 0.522 -8.352 0.377 1.00 . A A . 12 CYS CB 1 1
10 2145 1 1 12 CYS H H 0.011 -6.066 1.278 1.00 . A A . 12 CYS H 1 1
10 2146 1 1 12 CYS HA H -1.463 -7.787 -0.139 1.00 . A A . 12 CYS HA 1 1
10 2147 1 1 12 CYS HB3 H 1.091 -7.492 0.022 1.00 . A A . 12 CYS HB3 1 1
10 2148 1 1 12 CYS N N -0.850 -6.563 1.389 1.00 . A A . 12 CYS N 1 1
10 2149 1 1 12 CYS O O -1.601 -8.591 2.953 1.00 . A A . 12 CYS O 1 1
10 2150 1 1 12 CYS SG S 1.465 -9.169 1.714 1.00 . A A . 12 CYS SG 1 1
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