NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
589268 |
2n0i   |
26538 | cing | 4-filtered-FRED | STAR | entry | full | 28 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n0i
# This FRED archive file contains, for PDB entry <2n0i>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_2n0i
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2n0i
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1345.50
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 $di_sulfide_11mer_peptide A . 1 1
stop_
save_
save_di_sulfide_11mer_peptide
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "di sulfide 11mer peptide"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code HXEGXFTSDFXX
_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 HIS . 1 1
2 . $. 1 1
3 GLU . 1 1
4 GLY . 1 1
5 . $. 1 1
6 PHE . 1 1
7 THR . 1 1
8 SER . 1 1
9 ASP . 1 1
10 PHE . 1 1
11 . $. 1 1
12 NH2 $NH2 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
HIS 1 1 1 1
. 2 2 1 1
GLU 3 3 1 1
GLY 4 4 1 1
. 5 5 1 1
PHE 6 6 1 1
THR 7 7 1 1
SER 8 8 1 1
ASP 9 9 1 1
PHE 10 10 1 1
. 11 11 1 1
NH2 12 12 1 1
stop_
save_
save_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NH2
_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_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
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 HIS HA . 1 . HA 1 1
1 1 2 1 1 3 GLU H . 3 . HN 1 1
2 1 1 1 1 3 GLU HA . 3 . HA 1 1
2 1 2 1 1 4 GLY H . 4 . HN 1 1
3 1 1 1 1 3 GLU H . 3 . HN 1 1
3 1 2 1 1 4 GLY H . 4 . HN 1 1
4 1 1 1 1 3 GLU HB3 . 3 . HB1 1 1
4 1 2 1 1 4 GLY H . 4 . HN 1 1
5 1 1 1 1 3 GLU HB2 . 3 . HB2 1 1
5 1 2 1 1 4 GLY H . 4 . HN 1 1
6 1 1 1 1 4 GLY HA3 . 4 . HA1 1 1
6 1 2 1 1 6 PHE H . 6 . HN 1 1
7 1 1 1 1 4 GLY H . 4 . HN 1 1
7 1 2 1 1 6 PHE H . 6 . HN 1 1
8 1 1 1 1 6 PHE H . 6 . HN 1 1
8 1 2 1 1 7 THR H . 7 . HN 1 1
9 1 1 1 1 6 PHE HB3 . 6 . HB1 1 1
9 1 2 1 1 7 THR H . 7 . HN 1 1
10 1 1 1 1 6 PHE HB2 . 6 . HB2 1 1
10 1 2 1 1 7 THR H . 7 . HN 1 1
11 1 1 1 1 6 PHE H . 6 . HN 1 1
11 1 2 1 1 8 SER H . 8 . HN 1 1
12 1 1 1 1 7 THR HA . 7 . HA 1 1
12 1 2 1 1 8 SER H . 8 . HN 1 1
13 1 1 1 1 7 THR HA . 7 . HA 1 1
13 1 2 1 1 9 ASP H . 9 . HN 1 1
14 1 1 1 1 7 THR HA . 7 . HA 1 1
14 1 2 1 1 10 PHE H . 10 . HN 1 1
15 1 1 1 1 7 THR H . 7 . HN 1 1
15 1 2 1 1 8 SER H . 8 . HN 1 1
16 1 1 1 1 7 THR HB . 7 . HB 1 1
16 1 2 1 1 8 SER H . 8 . HN 1 1
17 1 1 1 1 7 THR HA . 7 . HA 1 1
17 1 2 1 1 10 PHE QB . 10 . HB* 1 1
18 1 1 1 1 8 SER HA . 8 . HA 1 1
18 1 2 1 1 9 ASP H . 9 . HN 1 1
19 1 1 1 1 8 SER HA . 8 . HA 1 1
19 1 2 1 1 10 PHE H . 10 . HN 1 1
20 1 1 1 1 8 SER H . 8 . HN 1 1
20 1 2 1 1 9 ASP H . 9 . HN 1 1
21 1 1 1 1 8 SER QB . 8 . HB* 1 1
21 1 2 1 1 9 ASP H . 9 . HN 1 1
22 1 1 1 1 7 THR H . 7 . HN 1 1
22 1 2 1 1 8 SER QB . 8 . HB* 1 1
23 1 1 1 1 9 ASP HA . 9 . HA 1 1
23 1 2 1 1 10 PHE H . 10 . HN 1 1
24 1 1 1 1 9 ASP H . 9 . HN 1 1
24 1 2 1 1 10 PHE H . 10 . HN 1 1
25 1 1 1 1 9 ASP HB3 . 9 . HB1 1 1
25 1 2 1 1 10 PHE H . 10 . HN 1 1
26 1 1 1 1 9 ASP HB2 . 9 . HB2 1 1
26 1 2 1 1 10 PHE H . 10 . HN 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 0.0 0.0 5.0 1 1
2 1 . . . . . 0.0 0.0 2.7 1 1
3 1 . . . . . 0.0 0.0 5.0 1 1
4 1 . . . . . 0.0 0.0 5.0 1 1
5 1 . . . . . 0.0 0.0 5.0 1 1
6 1 . . . . . 0.0 0.0 5.0 1 1
7 1 . . . . . 0.0 0.0 6.0 1 1
8 1 . . . . . 0.0 0.0 3.5 1 1
9 1 . . . . . 0.0 0.0 6.0 1 1
10 1 . . . . . 0.0 0.0 6.0 1 1
11 1 . . . . . 0.0 0.0 6.0 1 1
12 1 . . . . . 0.0 0.0 3.5 1 1
13 1 . . . . . 0.0 0.0 6.0 1 1
14 1 . . . . . 0.0 0.0 5.0 1 1
15 1 . . . . . 0.0 0.0 3.5 1 1
16 1 . . . . . 0.0 0.0 6.0 1 1
17 1 . . . . . 0.0 0.0 6.0 1 1
18 1 . . . . . 0.0 0.0 3.5 1 1
19 1 . . . . . 0.0 0.0 5.0 1 1
20 1 . . . . . 0.0 0.0 3.5 1 1
21 1 . . . . . 0.0 0.0 6.0 1 1
22 1 . . . . . 0.0 0.0 6.0 1 1
23 1 . . . . . 0.0 0.0 3.5 1 1
24 1 . . . . . 0.0 0.0 3.5 1 1
25 1 . . . . . 0.0 0.0 6.0 1 1
26 1 . . . . . 0.0 0.0 6.0 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
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 7 THR O . 7 . O 1 2
1 1 2 1 1 10 PHE H . 10 . HN 1 2
2 1 1 1 1 7 THR O . 7 . O 1 2
2 1 2 1 1 10 PHE N . 10 . N 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 1.88 1.58 2.3 1 2
2 1 . . . . . 2.88 2.58 3.3 1 2
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 HIS C C 3.463 19.592 5.584 1.00 . A A . 1 HIS C 1 1
1 2 1 1 1 HIS CA C 4.098 20.312 6.773 1.00 . A A . 1 HIS CA 1 1
1 3 1 1 1 HIS CB C 3.713 21.795 6.761 1.00 . A A . 1 HIS CB 1 1
1 4 1 1 1 HIS CD2 C 1.483 22.704 5.793 1.00 . A A . 1 HIS CD2 1 1
1 5 1 1 1 HIS CE1 C 0.122 21.910 7.316 1.00 . A A . 1 HIS CE1 1 1
1 6 1 1 1 HIS CG C 2.234 22.032 6.698 1.00 . A A . 1 HIS CG 1 1
1 7 1 1 1 HIS H1 H 5.870 19.207 6.755 1.00 . A A . 1 HIS H1 1 1
1 8 1 1 1 HIS H2 H 5.992 20.682 7.572 1.00 . A A . 1 HIS H2 1 1
1 9 1 1 1 HIS H3 H 5.956 20.654 5.880 1.00 . A A . 1 HIS H3 1 1
1 10 1 1 1 HIS HA H 3.742 19.861 7.688 1.00 . A A . 1 HIS HA 1 1
1 11 1 1 1 HIS HB2 H 4.086 22.265 7.659 1.00 . A A . 1 HIS HB2 1 1
1 12 1 1 1 HIS HB3 H 4.163 22.269 5.901 1.00 . A A . 1 HIS HB3 1 1
1 13 1 1 1 HIS HD1 H 1.588 21.017 8.429 1.00 . A A . 1 HIS HD1 1 1
1 14 1 1 1 HIS HD2 H 1.847 23.219 4.914 1.00 . A A . 1 HIS HD2 1 1
1 15 1 1 1 HIS HE1 H -0.774 21.672 7.871 1.00 . A A . 1 HIS HE1 1 1
1 16 1 1 1 HIS HE2 H -0.595 23.004 5.739 1.00 . A A . 1 HIS HE2 1 1
1 17 1 1 1 HIS N N 5.582 20.207 6.743 1.00 . A A . 1 HIS N 1 1
1 18 1 1 1 HIS ND1 N 1.350 21.548 7.641 1.00 . A A . 1 HIS ND1 1 1
1 19 1 1 1 HIS NE2 N 0.176 22.612 6.201 1.00 . A A . 1 HIS NE2 1 1
1 20 1 1 1 HIS O O 3.881 19.782 4.439 1.00 . A A . 1 HIS O 1 1
1 21 1 1 2 . C C 0.736 18.924 4.096 1.00 . A A . 2 KCY C 1 1
1 22 1 1 2 . CA C 1.712 18.017 4.845 1.00 . A A . 2 KCY CA 1 1
1 23 1 1 2 . CB C 2.682 17.352 3.860 1.00 . A A . 2 KCY CB 1 1
1 24 1 1 2 . CG C 2.232 15.975 3.401 1.00 . A A . 2 KCY CG 1 1
1 25 1 1 2 . HA H 1.140 17.253 5.345 1.00 . A A . 2 KCY HA 1 1
1 26 1 1 2 . HB H 2.782 17.983 2.989 1.00 . A A . 2 KCY HB 1 1
1 27 1 1 2 . HBA H 3.647 17.252 4.334 1.00 . A A . 2 KCY HBA 1 1
1 28 1 1 2 . HG H 1.173 15.874 3.579 1.00 . A A . 2 KCY HG 1 1
1 29 1 1 2 . HGA H 2.765 15.227 3.969 1.00 . A A . 2 KCY HGA 1 1
1 30 1 1 2 . HN H 2.161 18.685 6.805 1.00 . A A . 2 KCY HN 1 1
1 31 1 1 2 . N N 2.441 18.775 5.871 1.00 . A A . 2 KCY N 1 1
1 32 1 1 2 . O O -0.465 18.646 4.052 1.00 . A A . 2 KCY O 1 1
1 33 1 1 2 . SD S 2.551 15.674 1.632 1.00 . A A . 2 KCY SD 1 1
1 34 1 1 3 GLU C C -0.354 20.319 1.668 1.00 . A A . 3 GLU C 1 1
1 35 1 1 3 GLU CA C 0.428 20.975 2.804 1.00 . A A . 3 GLU CA 1 1
1 36 1 1 3 GLU CB C 1.291 22.125 2.266 1.00 . A A . 3 GLU CB 1 1
1 37 1 1 3 GLU CD C 3.326 22.824 0.934 1.00 . A A . 3 GLU CD 1 1
1 38 1 1 3 GLU CG C 2.431 21.676 1.361 1.00 . A A . 3 GLU CG 1 1
1 39 1 1 3 GLU H H 2.214 20.183 3.612 1.00 . A A . 3 GLU H 1 1
1 40 1 1 3 GLU HA H -0.283 21.380 3.509 1.00 . A A . 3 GLU HA 1 1
1 41 1 1 3 GLU HB2 H 0.660 22.797 1.703 1.00 . A A . 3 GLU HB2 1 1
1 42 1 1 3 GLU HB3 H 1.715 22.661 3.102 1.00 . A A . 3 GLU HB3 1 1
1 43 1 1 3 GLU HG2 H 3.031 20.951 1.891 1.00 . A A . 3 GLU HG2 1 1
1 44 1 1 3 GLU HG3 H 2.012 21.218 0.478 1.00 . A A . 3 GLU HG3 1 1
1 45 1 1 3 GLU N N 1.254 20.014 3.528 1.00 . A A . 3 GLU N 1 1
1 46 1 1 3 GLU O O 0.207 19.948 0.634 1.00 . A A . 3 GLU O 1 1
1 47 1 1 3 GLU OE1 O 3.958 23.447 1.815 1.00 . A A . 3 GLU OE1 1 1
1 48 1 1 3 GLU OE2 O 3.396 23.102 -0.282 1.00 . A A . 3 GLU OE2 1 1
1 49 1 1 4 GLY C C -2.299 18.111 0.699 1.00 . A A . 4 GLY C 1 1
1 50 1 1 4 GLY CA C -2.534 19.596 0.882 1.00 . A A . 4 GLY CA 1 1
1 51 1 1 4 GLY H H -2.038 20.505 2.728 1.00 . A A . 4 GLY H 1 1
1 52 1 1 4 GLY HA2 H -3.560 19.750 1.182 1.00 . A A . 4 GLY HA2 1 1
1 53 1 1 4 GLY HA3 H -2.372 20.092 -0.062 1.00 . A A . 4 GLY HA3 1 1
1 54 1 1 4 GLY N N -1.661 20.191 1.879 1.00 . A A . 4 GLY N 1 1
1 55 1 1 4 GLY O O -2.255 17.621 -0.431 1.00 . A A . 4 GLY O 1 1
1 56 1 1 5 . C C -2.405 15.284 3.057 1.00 . A A . 5 HCS C 1 1
1 57 1 1 5 . CA C -1.925 15.951 1.763 1.00 . A A . 5 HCS CA 1 1
1 58 1 1 5 . CB C -0.437 15.672 1.521 1.00 . A A . 5 HCS CB 1 1
1 59 1 1 5 . CG C -0.103 14.207 1.276 1.00 . A A . 5 HCS CG 1 1
1 60 1 1 5 . H H -2.195 17.846 2.682 1.00 . A A . 5 HCS H 1 1
1 61 1 1 5 . HB2 H -0.116 16.237 0.659 1.00 . A A . 5 HCS HB2 1 1
1 62 1 1 5 . HB3 H 0.117 16.006 2.381 1.00 . A A . 5 HCS HB3 1 1
1 63 1 1 5 . HCA H -2.498 15.555 0.940 1.00 . A A . 5 HCS HCA 1 1
1 64 1 1 5 . HG2 H -0.558 13.608 2.047 1.00 . A A . 5 HCS HG2 1 1
1 65 1 1 5 . HG3 H -0.497 13.915 0.313 1.00 . A A . 5 HCS HG3 1 1
1 66 1 1 5 . N N -2.152 17.394 1.810 1.00 . A A . 5 HCS N 1 1
1 67 1 1 5 . O O -1.786 14.344 3.562 1.00 . A A . 5 HCS O 1 1
1 68 1 1 5 . SD S 1.691 13.866 1.283 1.00 . A A . 5 HCS SD 1 1
1 69 1 1 6 PHE C C -4.702 13.826 4.548 1.00 . A A . 6 PHE C 1 1
1 70 1 1 6 PHE CA C -4.113 15.216 4.803 1.00 . A A . 6 PHE CA 1 1
1 71 1 1 6 PHE CB C -5.172 16.165 5.388 1.00 . A A . 6 PHE CB 1 1
1 72 1 1 6 PHE CD1 C -7.272 15.597 4.122 1.00 . A A . 6 PHE CD1 1 1
1 73 1 1 6 PHE CD2 C -6.369 17.792 3.897 1.00 . A A . 6 PHE CD2 1 1
1 74 1 1 6 PHE CE1 C -8.305 15.932 3.266 1.00 . A A . 6 PHE CE1 1 1
1 75 1 1 6 PHE CE2 C -7.400 18.132 3.043 1.00 . A A . 6 PHE CE2 1 1
1 76 1 1 6 PHE CG C -6.292 16.521 4.446 1.00 . A A . 6 PHE CG 1 1
1 77 1 1 6 PHE CZ C -8.368 17.201 2.726 1.00 . A A . 6 PHE CZ 1 1
1 78 1 1 6 PHE H H -3.986 16.508 3.122 1.00 . A A . 6 PHE H 1 1
1 79 1 1 6 PHE HA H -3.310 15.114 5.520 1.00 . A A . 6 PHE HA 1 1
1 80 1 1 6 PHE HB2 H -5.613 15.702 6.258 1.00 . A A . 6 PHE HB2 1 1
1 81 1 1 6 PHE HB3 H -4.688 17.083 5.689 1.00 . A A . 6 PHE HB3 1 1
1 82 1 1 6 PHE HD1 H -7.225 14.603 4.543 1.00 . A A . 6 PHE HD1 1 1
1 83 1 1 6 PHE HD2 H -5.610 18.521 4.141 1.00 . A A . 6 PHE HD2 1 1
1 84 1 1 6 PHE HE1 H -9.062 15.201 3.020 1.00 . A A . 6 PHE HE1 1 1
1 85 1 1 6 PHE HE2 H -7.448 19.126 2.623 1.00 . A A . 6 PHE HE2 1 1
1 86 1 1 6 PHE HZ H -9.175 17.465 2.059 1.00 . A A . 6 PHE HZ 1 1
1 87 1 1 6 PHE N N -3.531 15.769 3.579 1.00 . A A . 6 PHE N 1 1
1 88 1 1 6 PHE O O -4.709 12.975 5.439 1.00 . A A . 6 PHE O 1 1
1 89 1 1 7 THR C C -4.724 11.188 2.910 1.00 . A A . 7 THR C 1 1
1 90 1 1 7 THR CA C -5.765 12.316 2.933 1.00 . A A . 7 THR CA 1 1
1 91 1 1 7 THR CB C -6.438 12.390 1.545 1.00 . A A . 7 THR CB 1 1
1 92 1 1 7 THR CG2 C -7.639 13.326 1.566 1.00 . A A . 7 THR CG2 1 1
1 93 1 1 7 THR H H -5.140 14.321 2.656 1.00 . A A . 7 THR H 1 1
1 94 1 1 7 THR HA H -6.525 12.068 3.659 1.00 . A A . 7 THR HA 1 1
1 95 1 1 7 THR HB H -6.781 11.400 1.280 1.00 . A A . 7 THR HB 1 1
1 96 1 1 7 THR HG1 H -5.376 13.782 0.625 1.00 . A A . 7 THR HG1 1 1
1 97 1 1 7 THR HG21 H -8.156 13.229 2.510 1.00 . A A . 7 THR HG21 1 1
1 98 1 1 7 THR HG22 H -8.310 13.067 0.761 1.00 . A A . 7 THR HG22 1 1
1 99 1 1 7 THR HG23 H -7.304 14.345 1.442 1.00 . A A . 7 THR HG23 1 1
1 100 1 1 7 THR N N -5.183 13.602 3.321 1.00 . A A . 7 THR N 1 1
1 101 1 1 7 THR O O -5.093 10.015 2.829 1.00 . A A . 7 THR O 1 1
1 102 1 1 7 THR OG1 O -5.494 12.831 0.558 1.00 . A A . 7 THR OG1 1 1
1 103 1 1 8 SER C C -2.672 9.324 3.796 1.00 . A A . 8 SER C 1 1
1 104 1 1 8 SER CA C -2.344 10.549 2.940 1.00 . A A . 8 SER CA 1 1
1 105 1 1 8 SER CB C -1.030 11.176 3.418 1.00 . A A . 8 SER CB 1 1
1 106 1 1 8 SER H H -3.193 12.494 3.020 1.00 . A A . 8 SER H 1 1
1 107 1 1 8 SER HA H -2.224 10.229 1.918 1.00 . A A . 8 SER HA 1 1
1 108 1 1 8 SER HB2 H -0.255 10.425 3.413 1.00 . A A . 8 SER HB2 1 1
1 109 1 1 8 SER HB3 H -0.755 11.979 2.751 1.00 . A A . 8 SER HB3 1 1
1 110 1 1 8 SER HG H -0.608 11.179 5.332 1.00 . A A . 8 SER HG 1 1
1 111 1 1 8 SER N N -3.428 11.543 2.968 1.00 . A A . 8 SER N 1 1
1 112 1 1 8 SER O O -2.523 8.188 3.343 1.00 . A A . 8 SER O 1 1
1 113 1 1 8 SER OG O -1.155 11.693 4.732 1.00 . A A . 8 SER OG 1 1
1 114 1 1 9 ASP C C -4.758 7.773 5.466 1.00 . A A . 9 ASP C 1 1
1 115 1 1 9 ASP CA C -3.485 8.477 5.937 1.00 . A A . 9 ASP CA 1 1
1 116 1 1 9 ASP CB C -3.677 9.009 7.364 1.00 . A A . 9 ASP CB 1 1
1 117 1 1 9 ASP CG C -2.404 9.589 7.970 1.00 . A A . 9 ASP CG 1 1
1 118 1 1 9 ASP H H -3.230 10.490 5.323 1.00 . A A . 9 ASP H 1 1
1 119 1 1 9 ASP HA H -2.676 7.764 5.934 1.00 . A A . 9 ASP HA 1 1
1 120 1 1 9 ASP HB2 H -4.428 9.784 7.352 1.00 . A A . 9 ASP HB2 1 1
1 121 1 1 9 ASP HB3 H -4.015 8.200 7.997 1.00 . A A . 9 ASP HB3 1 1
1 122 1 1 9 ASP N N -3.126 9.562 5.025 1.00 . A A . 9 ASP N 1 1
1 123 1 1 9 ASP O O -4.827 6.542 5.456 1.00 . A A . 9 ASP O 1 1
1 124 1 1 9 ASP OD1 O -1.345 9.558 7.303 1.00 . A A . 9 ASP OD1 1 1
1 125 1 1 9 ASP OD2 O -2.468 10.073 9.119 1.00 . A A . 9 ASP OD2 1 1
1 126 1 1 10 PHE C C -6.812 7.188 3.326 1.00 . A A . 10 PHE C 1 1
1 127 1 1 10 PHE CA C -7.029 8.033 4.585 1.00 . A A . 10 PHE CA 1 1
1 128 1 1 10 PHE CB C -8.008 9.183 4.307 1.00 . A A . 10 PHE CB 1 1
1 129 1 1 10 PHE CD1 C -10.082 7.815 4.690 1.00 . A A . 10 PHE CD1 1 1
1 130 1 1 10 PHE CD2 C -9.992 9.227 2.769 1.00 . A A . 10 PHE CD2 1 1
1 131 1 1 10 PHE CE1 C -11.350 7.402 4.330 1.00 . A A . 10 PHE CE1 1 1
1 132 1 1 10 PHE CE2 C -11.260 8.818 2.405 1.00 . A A . 10 PHE CE2 1 1
1 133 1 1 10 PHE CG C -9.388 8.731 3.914 1.00 . A A . 10 PHE CG 1 1
1 134 1 1 10 PHE CZ C -11.940 7.904 3.186 1.00 . A A . 10 PHE CZ 1 1
1 135 1 1 10 PHE H H -5.627 9.538 5.094 1.00 . A A . 10 PHE H 1 1
1 136 1 1 10 PHE HA H -7.437 7.402 5.361 1.00 . A A . 10 PHE HA 1 1
1 137 1 1 10 PHE HB2 H -8.100 9.787 5.197 1.00 . A A . 10 PHE HB2 1 1
1 138 1 1 10 PHE HB3 H -7.615 9.792 3.506 1.00 . A A . 10 PHE HB3 1 1
1 139 1 1 10 PHE HD1 H -9.622 7.422 5.584 1.00 . A A . 10 PHE HD1 1 1
1 140 1 1 10 PHE HD2 H -9.461 9.941 2.157 1.00 . A A . 10 PHE HD2 1 1
1 141 1 1 10 PHE HE1 H -11.880 6.687 4.942 1.00 . A A . 10 PHE HE1 1 1
1 142 1 1 10 PHE HE2 H -11.719 9.212 1.511 1.00 . A A . 10 PHE HE2 1 1
1 143 1 1 10 PHE HZ H -12.931 7.582 2.903 1.00 . A A . 10 PHE HZ 1 1
1 144 1 1 10 PHE N N -5.756 8.567 5.069 1.00 . A A . 10 PHE N 1 1
1 145 1 1 10 PHE O O -7.424 7.427 2.282 1.00 . A A . 10 PHE O 1 1
1 146 1 1 11 . C C -4.770 4.119 2.794 1.00 . A A . 11 PH8 C 1 1
1 147 1 1 11 . CA C -5.599 5.316 2.321 1.00 . A A . 11 PH8 CA 1 1
1 148 1 1 11 . CB C -4.832 6.089 1.239 1.00 . A A . 11 PH8 CB 1 1
1 149 1 1 11 . CD1 C -4.984 2.455 -1.273 1.00 . A A . 11 PH8 CD1 1 1
1 150 1 1 11 . CD2 C -7.044 2.727 -0.102 1.00 . A A . 11 PH8 CD2 1 1
1 151 1 1 11 . CE1 C -5.151 1.083 -1.255 1.00 . A A . 11 PH8 CE1 1 1
1 152 1 1 11 . CE2 C -7.216 1.356 -0.081 1.00 . A A . 11 PH8 CE2 1 1
1 153 1 1 11 . CG C -5.928 3.292 -0.697 1.00 . A A . 11 PH8 CG 1 1
1 154 1 1 11 . CI C -4.492 5.262 0.006 1.00 . A A . 11 PH8 CI 1 1
1 155 1 1 11 . CJ C -5.744 4.784 -0.719 1.00 . A A . 11 PH8 CJ 1 1
1 156 1 1 11 . CZ C -6.268 0.533 -0.658 1.00 . A A . 11 PH8 CZ 1 1
1 157 1 1 11 . HA H -6.527 4.954 1.904 1.00 . A A . 11 PH8 HA 1 1
1 158 1 1 11 . HB H -5.430 6.931 0.924 1.00 . A A . 11 PH8 HB 1 1
1 159 1 1 11 . HBA H -3.909 6.456 1.664 1.00 . A A . 11 PH8 HBA 1 1
1 160 1 1 11 . HD1 H -4.109 2.884 -1.740 1.00 . A A . 11 PH8 HD1 1 1
1 161 1 1 11 . HD2 H -7.787 3.368 0.350 1.00 . A A . 11 PH8 HD2 1 1
1 162 1 1 11 . HE1 H -4.409 0.442 -1.707 1.00 . A A . 11 PH8 HE1 1 1
1 163 1 1 11 . HE2 H -8.091 0.927 0.387 1.00 . A A . 11 PH8 HE2 1 1
1 164 1 1 11 . HI H -3.907 5.867 -0.670 1.00 . A A . 11 PH8 HI 1 1
1 165 1 1 11 . HIA H -3.915 4.402 0.312 1.00 . A A . 11 PH8 HIA 1 1
1 166 1 1 11 . HJ H -5.687 5.100 -1.750 1.00 . A A . 11 PH8 HJ 1 1
1 167 1 1 11 . HJA H -6.608 5.236 -0.254 1.00 . A A . 11 PH8 HJA 1 1
1 168 1 1 11 . HN H -5.466 6.072 4.296 1.00 . A A . 11 PH8 HN 1 1
1 169 1 1 11 . HZ H -6.400 -0.539 -0.643 1.00 . A A . 11 PH8 HZ 1 1
1 170 1 1 11 . N N -5.922 6.202 3.438 1.00 . A A . 11 PH8 N 1 1
1 171 1 1 11 . O O -5.041 2.978 2.419 1.00 . A A . 11 PH8 O 1 1
1 172 1 1 12 NH2 HN1 H -3.592 5.310 3.877 1.00 . A A . 12 NH2 HN1 1 1
1 173 1 1 12 NH2 HN2 H -3.209 3.625 3.928 1.00 . A A . 12 NH2 HN2 1 1
1 174 1 1 12 NH2 N N -3.754 4.378 3.616 1.00 . A A . 12 NH2 N 1 1
2 175 1 1 1 HIS C C 3.206 18.046 6.171 1.00 . A A . 1 HIS C 1 1
2 176 1 1 1 HIS CA C 3.933 17.964 7.526 1.00 . A A . 1 HIS CA 1 1
2 177 1 1 1 HIS CB C 3.059 17.288 8.598 1.00 . A A . 1 HIS CB 1 1
2 178 1 1 1 HIS CD2 C 2.112 14.871 8.528 1.00 . A A . 1 HIS CD2 1 1
2 179 1 1 1 HIS CE1 C 4.011 13.781 8.609 1.00 . A A . 1 HIS CE1 1 1
2 180 1 1 1 HIS CG C 3.107 15.789 8.579 1.00 . A A . 1 HIS CG 1 1
2 181 1 1 1 HIS H1 H 4.926 19.796 7.359 1.00 . A A . 1 HIS H1 1 1
2 182 1 1 1 HIS H2 H 4.723 19.271 8.954 1.00 . A A . 1 HIS H2 1 1
2 183 1 1 1 HIS H3 H 3.408 19.905 8.101 1.00 . A A . 1 HIS H3 1 1
2 184 1 1 1 HIS HA H 4.849 17.405 7.404 1.00 . A A . 1 HIS HA 1 1
2 185 1 1 1 HIS HB2 H 3.387 17.614 9.573 1.00 . A A . 1 HIS HB2 1 1
2 186 1 1 1 HIS HB3 H 2.032 17.590 8.453 1.00 . A A . 1 HIS HB3 1 1
2 187 1 1 1 HIS HD1 H 5.185 15.455 8.672 1.00 . A A . 1 HIS HD1 1 1
2 188 1 1 1 HIS HD2 H 1.052 15.077 8.478 1.00 . A A . 1 HIS HD2 1 1
2 189 1 1 1 HIS HE1 H 4.738 12.983 8.632 1.00 . A A . 1 HIS HE1 1 1
2 190 1 1 1 HIS HE2 H 2.227 12.784 8.689 1.00 . A A . 1 HIS HE2 1 1
2 191 1 1 1 HIS N N 4.271 19.329 8.019 1.00 . A A . 1 HIS N 1 1
2 192 1 1 1 HIS ND1 N 4.283 15.073 8.629 1.00 . A A . 1 HIS ND1 1 1
2 193 1 1 1 HIS NE2 N 2.700 13.630 8.549 1.00 . A A . 1 HIS NE2 1 1
2 194 1 1 1 HIS O O 3.340 19.045 5.462 1.00 . A A . 1 HIS O 1 1
2 195 1 1 2 . C C 0.461 17.855 4.561 1.00 . A A . 2 KCY C 1 1
2 196 1 1 2 . CA C 1.689 16.941 4.556 1.00 . A A . 2 KCY CA 1 1
2 197 1 1 2 . CB C 2.584 17.273 3.355 1.00 . A A . 2 KCY CB 1 1
2 198 1 1 2 . CG C 3.604 16.192 3.036 1.00 . A A . 2 KCY CG 1 1
2 199 1 1 2 . HA H 1.341 15.925 4.444 1.00 . A A . 2 KCY HA 1 1
2 200 1 1 2 . HB H 1.962 17.414 2.485 1.00 . A A . 2 KCY HB 1 1
2 201 1 1 2 . HBA H 3.116 18.189 3.555 1.00 . A A . 2 KCY HBA 1 1
2 202 1 1 2 . HG H 4.249 16.053 3.892 1.00 . A A . 2 KCY HG 1 1
2 203 1 1 2 . HGA H 4.192 16.503 2.186 1.00 . A A . 2 KCY HGA 1 1
2 204 1 1 2 . HN H 2.377 16.240 6.426 1.00 . A A . 2 KCY HN 1 1
2 205 1 1 2 . N N 2.441 16.999 5.820 1.00 . A A . 2 KCY N 1 1
2 206 1 1 2 . O O -0.637 17.413 4.216 1.00 . A A . 2 KCY O 1 1
2 207 1 1 2 . SD S 2.834 14.588 2.635 1.00 . A A . 2 KCY SD 1 1
2 208 1 1 3 GLU C C -0.961 20.331 3.541 1.00 . A A . 3 GLU C 1 1
2 209 1 1 3 GLU CA C -0.470 20.071 4.961 1.00 . A A . 3 GLU CA 1 1
2 210 1 1 3 GLU CB C -0.056 21.382 5.644 1.00 . A A . 3 GLU CB 1 1
2 211 1 1 3 GLU CD C -2.388 22.056 6.448 1.00 . A A . 3 GLU CD 1 1
2 212 1 1 3 GLU CG C -1.146 22.451 5.657 1.00 . A A . 3 GLU CG 1 1
2 213 1 1 3 GLU H H 1.536 19.430 5.191 1.00 . A A . 3 GLU H 1 1
2 214 1 1 3 GLU HA H -1.271 19.617 5.525 1.00 . A A . 3 GLU HA 1 1
2 215 1 1 3 GLU HB2 H 0.215 21.167 6.667 1.00 . A A . 3 GLU HB2 1 1
2 216 1 1 3 GLU HB3 H 0.806 21.783 5.133 1.00 . A A . 3 GLU HB3 1 1
2 217 1 1 3 GLU HG2 H -0.739 23.350 6.095 1.00 . A A . 3 GLU HG2 1 1
2 218 1 1 3 GLU HG3 H -1.440 22.656 4.637 1.00 . A A . 3 GLU HG3 1 1
2 219 1 1 3 GLU N N 0.642 19.125 4.938 1.00 . A A . 3 GLU N 1 1
2 220 1 1 3 GLU O O -0.333 21.067 2.776 1.00 . A A . 3 GLU O 1 1
2 221 1 1 3 GLU OE1 O -2.394 20.970 7.070 1.00 . A A . 3 GLU OE1 1 1
2 222 1 1 3 GLU OE2 O -3.357 22.844 6.452 1.00 . A A . 3 GLU OE2 1 1
2 223 1 1 4 GLY C C -2.965 18.481 1.256 1.00 . A A . 4 GLY C 1 1
2 224 1 1 4 GLY CA C -2.640 19.832 1.864 1.00 . A A . 4 GLY CA 1 1
2 225 1 1 4 GLY H H -2.515 19.109 3.848 1.00 . A A . 4 GLY H 1 1
2 226 1 1 4 GLY HA2 H -3.545 20.420 1.923 1.00 . A A . 4 GLY HA2 1 1
2 227 1 1 4 GLY HA3 H -1.929 20.341 1.230 1.00 . A A . 4 GLY HA3 1 1
2 228 1 1 4 GLY N N -2.077 19.695 3.195 1.00 . A A . 4 GLY N 1 1
2 229 1 1 4 GLY O O -4.012 18.309 0.630 1.00 . A A . 4 GLY O 1 1
2 230 1 1 5 . C C -2.875 15.250 1.995 1.00 . A A . 5 HCS C 1 1
2 231 1 1 5 . CA C -2.240 16.160 0.937 1.00 . A A . 5 HCS CA 1 1
2 232 1 1 5 . CB C -0.894 15.585 0.466 1.00 . A A . 5 HCS CB 1 1
2 233 1 1 5 . CG C 0.195 15.601 1.532 1.00 . A A . 5 HCS CG 1 1
2 234 1 1 5 . H H -1.252 17.724 1.972 1.00 . A A . 5 HCS H 1 1
2 235 1 1 5 . HB2 H -1.044 14.563 0.154 1.00 . A A . 5 HCS HB2 1 1
2 236 1 1 5 . HB3 H -0.548 16.161 -0.379 1.00 . A A . 5 HCS HB3 1 1
2 237 1 1 5 . HCA H -2.909 16.219 0.091 1.00 . A A . 5 HCS HCA 1 1
2 238 1 1 5 . HG2 H 0.348 16.617 1.861 1.00 . A A . 5 HCS HG2 1 1
2 239 1 1 5 . HG3 H -0.122 14.994 2.367 1.00 . A A . 5 HCS HG3 1 1
2 240 1 1 5 . N N -2.060 17.517 1.454 1.00 . A A . 5 HCS N 1 1
2 241 1 1 5 . O O -2.434 14.119 2.203 1.00 . A A . 5 HCS O 1 1
2 242 1 1 5 . SD S 1.791 14.957 0.932 1.00 . A A . 5 HCS SD 1 1
2 243 1 1 6 PHE C C -5.098 13.642 3.166 1.00 . A A . 6 PHE C 1 1
2 244 1 1 6 PHE CA C -4.613 14.992 3.699 1.00 . A A . 6 PHE CA 1 1
2 245 1 1 6 PHE CB C -5.799 15.796 4.246 1.00 . A A . 6 PHE CB 1 1
2 246 1 1 6 PHE CD1 C -5.693 14.792 6.549 1.00 . A A . 6 PHE CD1 1 1
2 247 1 1 6 PHE CD2 C -7.823 14.972 5.490 1.00 . A A . 6 PHE CD2 1 1
2 248 1 1 6 PHE CE1 C -6.289 14.224 7.659 1.00 . A A . 6 PHE CE1 1 1
2 249 1 1 6 PHE CE2 C -8.424 14.405 6.598 1.00 . A A . 6 PHE CE2 1 1
2 250 1 1 6 PHE CG C -6.452 15.173 5.452 1.00 . A A . 6 PHE CG 1 1
2 251 1 1 6 PHE CZ C -7.656 14.029 7.683 1.00 . A A . 6 PHE CZ 1 1
2 252 1 1 6 PHE H H -4.224 16.659 2.450 1.00 . A A . 6 PHE H 1 1
2 253 1 1 6 PHE HA H -3.912 14.815 4.501 1.00 . A A . 6 PHE HA 1 1
2 254 1 1 6 PHE HB2 H -5.457 16.780 4.527 1.00 . A A . 6 PHE HB2 1 1
2 255 1 1 6 PHE HB3 H -6.548 15.888 3.472 1.00 . A A . 6 PHE HB3 1 1
2 256 1 1 6 PHE HD1 H -4.624 14.943 6.531 1.00 . A A . 6 PHE HD1 1 1
2 257 1 1 6 PHE HD2 H -8.424 15.263 4.643 1.00 . A A . 6 PHE HD2 1 1
2 258 1 1 6 PHE HE1 H -5.687 13.932 8.506 1.00 . A A . 6 PHE HE1 1 1
2 259 1 1 6 PHE HE2 H -9.493 14.254 6.615 1.00 . A A . 6 PHE HE2 1 1
2 260 1 1 6 PHE HZ H -8.125 13.586 8.549 1.00 . A A . 6 PHE HZ 1 1
2 261 1 1 6 PHE N N -3.916 15.753 2.661 1.00 . A A . 6 PHE N 1 1
2 262 1 1 6 PHE O O -5.066 12.639 3.883 1.00 . A A . 6 PHE O 1 1
2 263 1 1 7 THR C C -4.981 11.303 1.241 1.00 . A A . 7 THR C 1 1
2 264 1 1 7 THR CA C -6.046 12.403 1.278 1.00 . A A . 7 THR CA 1 1
2 265 1 1 7 THR CB C -6.564 12.665 -0.158 1.00 . A A . 7 THR CB 1 1
2 266 1 1 7 THR CG2 C -5.483 13.282 -1.042 1.00 . A A . 7 THR CG2 1 1
2 267 1 1 7 THR H H -5.552 14.461 1.393 1.00 . A A . 7 THR H 1 1
2 268 1 1 7 THR HA H -6.876 12.051 1.870 1.00 . A A . 7 THR HA 1 1
2 269 1 1 7 THR HB H -7.392 13.356 -0.099 1.00 . A A . 7 THR HB 1 1
2 270 1 1 7 THR HG1 H -6.277 10.906 -1.019 1.00 . A A . 7 THR HG1 1 1
2 271 1 1 7 THR HG21 H -5.926 13.617 -1.968 1.00 . A A . 7 THR HG21 1 1
2 272 1 1 7 THR HG22 H -4.724 12.543 -1.254 1.00 . A A . 7 THR HG22 1 1
2 273 1 1 7 THR HG23 H -5.035 14.123 -0.534 1.00 . A A . 7 THR HG23 1 1
2 274 1 1 7 THR N N -5.549 13.626 1.908 1.00 . A A . 7 THR N 1 1
2 275 1 1 7 THR O O -5.279 10.140 1.522 1.00 . A A . 7 THR O 1 1
2 276 1 1 7 THR OG1 O -7.027 11.441 -0.747 1.00 . A A . 7 THR OG1 1 1
2 277 1 1 8 SER C C -2.412 10.043 2.191 1.00 . A A . 8 SER C 1 1
2 278 1 1 8 SER CA C -2.649 10.694 0.830 1.00 . A A . 8 SER CA 1 1
2 279 1 1 8 SER CB C -1.355 11.347 0.327 1.00 . A A . 8 SER CB 1 1
2 280 1 1 8 SER H H -3.558 12.611 0.690 1.00 . A A . 8 SER H 1 1
2 281 1 1 8 SER HA H -2.944 9.926 0.131 1.00 . A A . 8 SER HA 1 1
2 282 1 1 8 SER HB2 H -0.595 10.588 0.213 1.00 . A A . 8 SER HB2 1 1
2 283 1 1 8 SER HB3 H -1.539 11.817 -0.628 1.00 . A A . 8 SER HB3 1 1
2 284 1 1 8 SER HG H -0.154 11.966 1.747 1.00 . A A . 8 SER HG 1 1
2 285 1 1 8 SER N N -3.741 11.669 0.898 1.00 . A A . 8 SER N 1 1
2 286 1 1 8 SER O O -2.112 8.851 2.273 1.00 . A A . 8 SER O 1 1
2 287 1 1 8 SER OG O -0.880 12.327 1.234 1.00 . A A . 8 SER OG 1 1
2 288 1 1 9 ASP C C -3.643 9.785 5.216 1.00 . A A . 9 ASP C 1 1
2 289 1 1 9 ASP CA C -2.344 10.341 4.616 1.00 . A A . 9 ASP CA 1 1
2 290 1 1 9 ASP CB C -1.794 11.467 5.505 1.00 . A A . 9 ASP CB 1 1
2 291 1 1 9 ASP CG C -0.470 12.040 5.011 1.00 . A A . 9 ASP CG 1 1
2 292 1 1 9 ASP H H -2.786 11.777 3.124 1.00 . A A . 9 ASP H 1 1
2 293 1 1 9 ASP HA H -1.616 9.546 4.573 1.00 . A A . 9 ASP HA 1 1
2 294 1 1 9 ASP HB2 H -2.515 12.270 5.540 1.00 . A A . 9 ASP HB2 1 1
2 295 1 1 9 ASP HB3 H -1.645 11.084 6.504 1.00 . A A . 9 ASP HB3 1 1
2 296 1 1 9 ASP N N -2.546 10.836 3.256 1.00 . A A . 9 ASP N 1 1
2 297 1 1 9 ASP O O -3.871 9.902 6.423 1.00 . A A . 9 ASP O 1 1
2 298 1 1 9 ASP OD1 O 0.083 11.523 4.014 1.00 . A A . 9 ASP OD1 1 1
2 299 1 1 9 ASP OD2 O 0.017 13.010 5.629 1.00 . A A . 9 ASP OD2 1 1
2 300 1 1 10 PHE C C -5.503 7.474 5.858 1.00 . A A . 10 PHE C 1 1
2 301 1 1 10 PHE CA C -5.755 8.603 4.854 1.00 . A A . 10 PHE CA 1 1
2 302 1 1 10 PHE CB C -6.615 8.105 3.678 1.00 . A A . 10 PHE CB 1 1
2 303 1 1 10 PHE CD1 C -6.342 5.606 3.549 1.00 . A A . 10 PHE CD1 1 1
2 304 1 1 10 PHE CD2 C -5.405 6.936 1.806 1.00 . A A . 10 PHE CD2 1 1
2 305 1 1 10 PHE CE1 C -5.887 4.461 2.925 1.00 . A A . 10 PHE CE1 1 1
2 306 1 1 10 PHE CE2 C -4.946 5.794 1.179 1.00 . A A . 10 PHE CE2 1 1
2 307 1 1 10 PHE CG C -6.107 6.857 2.998 1.00 . A A . 10 PHE CG 1 1
2 308 1 1 10 PHE CZ C -5.188 4.555 1.738 1.00 . A A . 10 PHE CZ 1 1
2 309 1 1 10 PHE H H -4.265 9.102 3.428 1.00 . A A . 10 PHE H 1 1
2 310 1 1 10 PHE HA H -6.290 9.391 5.361 1.00 . A A . 10 PHE HA 1 1
2 311 1 1 10 PHE HB2 H -7.610 7.895 4.041 1.00 . A A . 10 PHE HB2 1 1
2 312 1 1 10 PHE HB3 H -6.674 8.887 2.935 1.00 . A A . 10 PHE HB3 1 1
2 313 1 1 10 PHE HD1 H -6.889 5.531 4.478 1.00 . A A . 10 PHE HD1 1 1
2 314 1 1 10 PHE HD2 H -5.213 7.903 1.367 1.00 . A A . 10 PHE HD2 1 1
2 315 1 1 10 PHE HE1 H -6.077 3.493 3.365 1.00 . A A . 10 PHE HE1 1 1
2 316 1 1 10 PHE HE2 H -4.400 5.870 0.251 1.00 . A A . 10 PHE HE2 1 1
2 317 1 1 10 PHE HZ H -4.833 3.661 1.248 1.00 . A A . 10 PHE HZ 1 1
2 318 1 1 10 PHE N N -4.492 9.173 4.379 1.00 . A A . 10 PHE N 1 1
2 319 1 1 10 PHE O O -6.250 7.321 6.825 1.00 . A A . 10 PHE O 1 1
2 320 1 1 11 . C C -2.774 5.895 7.259 1.00 . A A . 11 PH8 C 1 1
2 321 1 1 11 . CA C -4.084 5.593 6.518 1.00 . A A . 11 PH8 CA 1 1
2 322 1 1 11 . CB C -3.961 4.290 5.717 1.00 . A A . 11 PH8 CB 1 1
2 323 1 1 11 . CD1 C -6.278 1.660 5.480 1.00 . A A . 11 PH8 CD1 1 1
2 324 1 1 11 . CD2 C -7.586 3.055 6.906 1.00 . A A . 11 PH8 CD2 1 1
2 325 1 1 11 . CE1 C -7.400 1.372 4.728 1.00 . A A . 11 PH8 CE1 1 1
2 326 1 1 11 . CE2 C -8.712 2.770 6.156 1.00 . A A . 11 PH8 CE2 1 1
2 327 1 1 11 . CG C -6.356 2.505 6.578 1.00 . A A . 11 PH8 CG 1 1
2 328 1 1 11 . CI C -3.868 3.036 6.578 1.00 . A A . 11 PH8 CI 1 1
2 329 1 1 11 . CJ C -5.133 2.819 7.400 1.00 . A A . 11 PH8 CJ 1 1
2 330 1 1 11 . CZ C -8.619 1.927 5.066 1.00 . A A . 11 PH8 CZ 1 1
2 331 1 1 11 . HA H -4.875 5.484 7.244 1.00 . A A . 11 PH8 HA 1 1
2 332 1 1 11 . HB H -4.824 4.194 5.078 1.00 . A A . 11 PH8 HB 1 1
2 333 1 1 11 . HBA H -3.074 4.343 5.102 1.00 . A A . 11 PH8 HBA 1 1
2 334 1 1 11 . HD1 H -5.326 1.224 5.214 1.00 . A A . 11 PH8 HD1 1 1
2 335 1 1 11 . HD2 H -7.661 3.714 7.758 1.00 . A A . 11 PH8 HD2 1 1
2 336 1 1 11 . HE1 H -7.325 0.714 3.875 1.00 . A A . 11 PH8 HE1 1 1
2 337 1 1 11 . HE2 H -9.663 3.204 6.423 1.00 . A A . 11 PH8 HE2 1 1
2 338 1 1 11 . HI H -3.719 2.182 5.935 1.00 . A A . 11 PH8 HI 1 1
2 339 1 1 11 . HIA H -3.029 3.133 7.250 1.00 . A A . 11 PH8 HIA 1 1
2 340 1 1 11 . HJ H -5.333 3.715 7.970 1.00 . A A . 11 PH8 HJ 1 1
2 341 1 1 11 . HJA H -4.966 1.995 8.077 1.00 . A A . 11 PH8 HJA 1 1
2 342 1 1 11 . HN H -3.880 6.874 4.844 1.00 . A A . 11 PH8 HN 1 1
2 343 1 1 11 . HZ H -9.497 1.703 4.478 1.00 . A A . 11 PH8 HZ 1 1
2 344 1 1 11 . N N -4.441 6.696 5.627 1.00 . A A . 11 PH8 N 1 1
2 345 1 1 11 . O O -1.996 4.991 7.566 1.00 . A A . 11 PH8 O 1 1
2 346 1 1 12 NH2 HN1 H -3.180 7.848 7.279 1.00 . A A . 12 NH2 HN1 1 1
2 347 1 1 12 NH2 HN2 H -1.690 7.383 8.017 1.00 . A A . 12 NH2 HN2 1 1
2 348 1 1 12 NH2 N N -2.524 7.171 7.548 1.00 . A A . 12 NH2 N 1 1
3 349 1 1 1 HIS C C 2.684 18.070 6.368 1.00 . A A . 1 HIS C 1 1
3 350 1 1 1 HIS CA C 3.067 17.868 7.835 1.00 . A A . 1 HIS CA 1 1
3 351 1 1 1 HIS CB C 2.057 18.570 8.752 1.00 . A A . 1 HIS CB 1 1
3 352 1 1 1 HIS CD2 C 3.037 17.360 10.838 1.00 . A A . 1 HIS CD2 1 1
3 353 1 1 1 HIS CE1 C 1.721 18.235 12.357 1.00 . A A . 1 HIS CE1 1 1
3 354 1 1 1 HIS CG C 2.191 18.209 10.203 1.00 . A A . 1 HIS CG 1 1
3 355 1 1 1 HIS H1 H 4.406 19.442 8.162 1.00 . A A . 1 HIS H1 1 1
3 356 1 1 1 HIS H2 H 5.091 18.115 7.368 1.00 . A A . 1 HIS H2 1 1
3 357 1 1 1 HIS H3 H 4.778 18.037 9.027 1.00 . A A . 1 HIS H3 1 1
3 358 1 1 1 HIS HA H 3.066 16.809 8.052 1.00 . A A . 1 HIS HA 1 1
3 359 1 1 1 HIS HB2 H 2.189 19.637 8.666 1.00 . A A . 1 HIS HB2 1 1
3 360 1 1 1 HIS HB3 H 1.057 18.312 8.435 1.00 . A A . 1 HIS HB3 1 1
3 361 1 1 1 HIS HD1 H 0.661 19.390 11.043 1.00 . A A . 1 HIS HD1 1 1
3 362 1 1 1 HIS HD2 H 3.812 16.764 10.377 1.00 . A A . 1 HIS HD2 1 1
3 363 1 1 1 HIS HE1 H 1.258 18.469 13.304 1.00 . A A . 1 HIS HE1 1 1
3 364 1 1 1 HIS HE2 H 3.114 16.823 12.865 1.00 . A A . 1 HIS HE2 1 1
3 365 1 1 1 HIS N N 4.430 18.403 8.118 1.00 . A A . 1 HIS N 1 1
3 366 1 1 1 HIS ND1 N 1.381 18.741 11.185 1.00 . A A . 1 HIS ND1 1 1
3 367 1 1 1 HIS NE2 N 2.723 17.396 12.173 1.00 . A A . 1 HIS NE2 1 1
3 368 1 1 1 HIS O O 2.979 19.114 5.783 1.00 . A A . 1 HIS O 1 1
3 369 1 1 2 . C C 0.407 18.036 4.166 1.00 . A A . 2 KCY C 1 1
3 370 1 1 2 . CA C 1.590 17.083 4.382 1.00 . A A . 2 KCY CA 1 1
3 371 1 1 2 . CB C 2.753 17.466 3.456 1.00 . A A . 2 KCY CB 1 1
3 372 1 1 2 . CG C 2.439 17.301 1.976 1.00 . A A . 2 KCY CG 1 1
3 373 1 1 2 . HA H 1.267 16.084 4.130 1.00 . A A . 2 KCY HA 1 1
3 374 1 1 2 . HB H 3.012 18.499 3.631 1.00 . A A . 2 KCY HB 1 1
3 375 1 1 2 . HBA H 3.605 16.846 3.691 1.00 . A A . 2 KCY HBA 1 1
3 376 1 1 2 . HG H 3.273 17.670 1.398 1.00 . A A . 2 KCY HG 1 1
3 377 1 1 2 . HGA H 1.555 17.871 1.739 1.00 . A A . 2 KCY HGA 1 1
3 378 1 1 2 . HN H 1.832 16.259 6.318 1.00 . A A . 2 KCY HN 1 1
3 379 1 1 2 . N N 2.027 17.057 5.786 1.00 . A A . 2 KCY N 1 1
3 380 1 1 2 . O O -0.619 17.634 3.611 1.00 . A A . 2 KCY O 1 1
3 381 1 1 2 . SD S 2.143 15.566 1.498 1.00 . A A . 2 KCY SD 1 1
3 382 1 1 3 GLU C C -0.770 20.565 2.962 1.00 . A A . 3 GLU C 1 1
3 383 1 1 3 GLU CA C -0.505 20.294 4.443 1.00 . A A . 3 GLU CA 1 1
3 384 1 1 3 GLU CB C -0.122 21.594 5.162 1.00 . A A . 3 GLU CB 1 1
3 385 1 1 3 GLU CD C -0.756 23.966 5.772 1.00 . A A . 3 GLU CD 1 1
3 386 1 1 3 GLU CG C -1.197 22.672 5.112 1.00 . A A . 3 GLU CG 1 1
3 387 1 1 3 GLU H H 1.394 19.554 5.029 1.00 . A A . 3 GLU H 1 1
3 388 1 1 3 GLU HA H -1.404 19.896 4.889 1.00 . A A . 3 GLU HA 1 1
3 389 1 1 3 GLU HB2 H 0.080 21.370 6.198 1.00 . A A . 3 GLU HB2 1 1
3 390 1 1 3 GLU HB3 H 0.775 21.991 4.708 1.00 . A A . 3 GLU HB3 1 1
3 391 1 1 3 GLU HG2 H -1.436 22.877 4.079 1.00 . A A . 3 GLU HG2 1 1
3 392 1 1 3 GLU HG3 H -2.080 22.307 5.618 1.00 . A A . 3 GLU HG3 1 1
3 393 1 1 3 GLU N N 0.553 19.293 4.599 1.00 . A A . 3 GLU N 1 1
3 394 1 1 3 GLU O O -0.029 21.305 2.311 1.00 . A A . 3 GLU O 1 1
3 395 1 1 3 GLU OE1 O -0.444 23.942 6.982 1.00 . A A . 3 GLU OE1 1 1
3 396 1 1 3 GLU OE2 O -0.722 25.004 5.077 1.00 . A A . 3 GLU OE2 1 1
3 397 1 1 4 GLY C C -2.816 18.855 0.467 1.00 . A A . 4 GLY C 1 1
3 398 1 1 4 GLY CA C -2.182 20.108 1.040 1.00 . A A . 4 GLY CA 1 1
3 399 1 1 4 GLY H H -2.370 19.361 3.012 1.00 . A A . 4 GLY H 1 1
3 400 1 1 4 GLY HA2 H -2.879 20.929 0.948 1.00 . A A . 4 GLY HA2 1 1
3 401 1 1 4 GLY HA3 H -1.291 20.339 0.475 1.00 . A A . 4 GLY HA3 1 1
3 402 1 1 4 GLY N N -1.828 19.946 2.440 1.00 . A A . 4 GLY N 1 1
3 403 1 1 4 GLY O O -3.774 18.929 -0.305 1.00 . A A . 4 GLY O 1 1
3 404 1 1 5 . C C -3.069 15.489 1.590 1.00 . A A . 5 HCS C 1 1
3 405 1 1 5 . CA C -2.780 16.406 0.400 1.00 . A A . 5 HCS CA 1 1
3 406 1 1 5 . CB C -1.791 15.750 -0.579 1.00 . A A . 5 HCS CB 1 1
3 407 1 1 5 . CG C -0.319 15.951 -0.229 1.00 . A A . 5 HCS CG 1 1
3 408 1 1 5 . H H -1.517 17.718 1.482 1.00 . A A . 5 HCS H 1 1
3 409 1 1 5 . HB2 H -1.985 14.689 -0.610 1.00 . A A . 5 HCS HB2 1 1
3 410 1 1 5 . HB3 H -1.960 16.162 -1.563 1.00 . A A . 5 HCS HB3 1 1
3 411 1 1 5 . HCA H -3.709 16.589 -0.118 1.00 . A A . 5 HCS HCA 1 1
3 412 1 1 5 . HG2 H 0.283 15.389 -0.927 1.00 . A A . 5 HCS HG2 1 1
3 413 1 1 5 . HG3 H -0.081 17.002 -0.315 1.00 . A A . 5 HCS HG3 1 1
3 414 1 1 5 . N N -2.276 17.700 0.858 1.00 . A A . 5 HCS N 1 1
3 415 1 1 5 . O O -2.549 14.378 1.680 1.00 . A A . 5 HCS O 1 1
3 416 1 1 5 . SD S 0.120 15.406 1.454 1.00 . A A . 5 HCS SD 1 1
3 417 1 1 6 PHE C C -4.801 13.836 3.378 1.00 . A A . 6 PHE C 1 1
3 418 1 1 6 PHE CA C -4.284 15.238 3.714 1.00 . A A . 6 PHE CA 1 1
3 419 1 1 6 PHE CB C -5.352 15.997 4.518 1.00 . A A . 6 PHE CB 1 1
3 420 1 1 6 PHE CD1 C -5.443 18.399 3.774 1.00 . A A . 6 PHE CD1 1 1
3 421 1 1 6 PHE CD2 C -4.397 17.902 5.860 1.00 . A A . 6 PHE CD2 1 1
3 422 1 1 6 PHE CE1 C -5.174 19.741 3.953 1.00 . A A . 6 PHE CE1 1 1
3 423 1 1 6 PHE CE2 C -4.126 19.246 6.044 1.00 . A A . 6 PHE CE2 1 1
3 424 1 1 6 PHE CG C -5.058 17.462 4.724 1.00 . A A . 6 PHE CG 1 1
3 425 1 1 6 PHE CZ C -4.515 20.166 5.090 1.00 . A A . 6 PHE CZ 1 1
3 426 1 1 6 PHE H H -4.277 16.875 2.365 1.00 . A A . 6 PHE H 1 1
3 427 1 1 6 PHE HA H -3.399 15.139 4.323 1.00 . A A . 6 PHE HA 1 1
3 428 1 1 6 PHE HB2 H -6.298 15.919 4.005 1.00 . A A . 6 PHE HB2 1 1
3 429 1 1 6 PHE HB3 H -5.444 15.538 5.491 1.00 . A A . 6 PHE HB3 1 1
3 430 1 1 6 PHE HD1 H -5.959 18.069 2.884 1.00 . A A . 6 PHE HD1 1 1
3 431 1 1 6 PHE HD2 H -4.091 17.185 6.608 1.00 . A A . 6 PHE HD2 1 1
3 432 1 1 6 PHE HE1 H -5.479 20.457 3.206 1.00 . A A . 6 PHE HE1 1 1
3 433 1 1 6 PHE HE2 H -3.610 19.577 6.934 1.00 . A A . 6 PHE HE2 1 1
3 434 1 1 6 PHE HZ H -4.305 21.215 5.232 1.00 . A A . 6 PHE HZ 1 1
3 435 1 1 6 PHE N N -3.907 15.982 2.505 1.00 . A A . 6 PHE N 1 1
3 436 1 1 6 PHE O O -4.539 12.883 4.113 1.00 . A A . 6 PHE O 1 1
3 437 1 1 7 THR C C -5.054 11.332 1.757 1.00 . A A . 7 THR C 1 1
3 438 1 1 7 THR CA C -6.112 12.441 1.842 1.00 . A A . 7 THR CA 1 1
3 439 1 1 7 THR CB C -6.837 12.565 0.480 1.00 . A A . 7 THR CB 1 1
3 440 1 1 7 THR CG2 C -5.883 13.002 -0.627 1.00 . A A . 7 THR CG2 1 1
3 441 1 1 7 THR H H -5.727 14.523 1.738 1.00 . A A . 7 THR H 1 1
3 442 1 1 7 THR HA H -6.844 12.153 2.579 1.00 . A A . 7 THR HA 1 1
3 443 1 1 7 THR HB H -7.616 13.308 0.574 1.00 . A A . 7 THR HB 1 1
3 444 1 1 7 THR HG1 H -8.204 11.156 0.680 1.00 . A A . 7 THR HG1 1 1
3 445 1 1 7 THR HG21 H -5.401 13.927 -0.344 1.00 . A A . 7 THR HG21 1 1
3 446 1 1 7 THR HG22 H -6.437 13.151 -1.542 1.00 . A A . 7 THR HG22 1 1
3 447 1 1 7 THR HG23 H -5.135 12.238 -0.781 1.00 . A A . 7 THR HG23 1 1
3 448 1 1 7 THR N N -5.546 13.723 2.273 1.00 . A A . 7 THR N 1 1
3 449 1 1 7 THR O O -5.359 10.164 1.999 1.00 . A A . 7 THR O 1 1
3 450 1 1 7 THR OG1 O -7.434 11.311 0.127 1.00 . A A . 7 THR OG1 1 1
3 451 1 1 8 SER C C -2.571 9.863 2.531 1.00 . A A . 8 SER C 1 1
3 452 1 1 8 SER CA C -2.733 10.724 1.273 1.00 . A A . 8 SER CA 1 1
3 453 1 1 8 SER CB C -1.412 11.432 0.957 1.00 . A A . 8 SER CB 1 1
3 454 1 1 8 SER H H -3.639 12.640 1.208 1.00 . A A . 8 SER H 1 1
3 455 1 1 8 SER HA H -2.978 10.074 0.449 1.00 . A A . 8 SER HA 1 1
3 456 1 1 8 SER HB2 H -0.651 10.694 0.755 1.00 . A A . 8 SER HB2 1 1
3 457 1 1 8 SER HB3 H -1.544 12.057 0.086 1.00 . A A . 8 SER HB3 1 1
3 458 1 1 8 SER HG H -1.469 13.071 2.032 1.00 . A A . 8 SER HG 1 1
3 459 1 1 8 SER N N -3.821 11.697 1.401 1.00 . A A . 8 SER N 1 1
3 460 1 1 8 SER O O -2.304 8.664 2.431 1.00 . A A . 8 SER O 1 1
3 461 1 1 8 SER OG O -0.984 12.243 2.040 1.00 . A A . 8 SER OG 1 1
3 462 1 1 9 ASP C C -3.863 9.041 5.416 1.00 . A A . 9 ASP C 1 1
3 463 1 1 9 ASP CA C -2.561 9.739 4.975 1.00 . A A . 9 ASP CA 1 1
3 464 1 1 9 ASP CB C -2.069 10.683 6.081 1.00 . A A . 9 ASP CB 1 1
3 465 1 1 9 ASP CG C -1.673 9.945 7.350 1.00 . A A . 9 ASP CG 1 1
3 466 1 1 9 ASP H H -2.916 11.433 3.737 1.00 . A A . 9 ASP H 1 1
3 467 1 1 9 ASP HA H -1.810 8.981 4.814 1.00 . A A . 9 ASP HA 1 1
3 468 1 1 9 ASP HB2 H -1.207 11.228 5.723 1.00 . A A . 9 ASP HB2 1 1
3 469 1 1 9 ASP HB3 H -2.856 11.383 6.324 1.00 . A A . 9 ASP HB3 1 1
3 470 1 1 9 ASP N N -2.715 10.474 3.713 1.00 . A A . 9 ASP N 1 1
3 471 1 1 9 ASP O O -4.084 8.829 6.611 1.00 . A A . 9 ASP O 1 1
3 472 1 1 9 ASP OD1 O -0.724 9.134 7.295 1.00 . A A . 9 ASP OD1 1 1
3 473 1 1 9 ASP OD2 O -2.317 10.174 8.396 1.00 . A A . 9 ASP OD2 1 1
3 474 1 1 10 PHE C C -5.659 6.597 5.403 1.00 . A A . 10 PHE C 1 1
3 475 1 1 10 PHE CA C -5.957 7.956 4.782 1.00 . A A . 10 PHE CA 1 1
3 476 1 1 10 PHE CB C -6.840 7.794 3.539 1.00 . A A . 10 PHE CB 1 1
3 477 1 1 10 PHE CD1 C -7.641 10.173 3.775 1.00 . A A . 10 PHE CD1 1 1
3 478 1 1 10 PHE CD2 C -9.148 8.545 2.902 1.00 . A A . 10 PHE CD2 1 1
3 479 1 1 10 PHE CE1 C -8.616 11.145 3.652 1.00 . A A . 10 PHE CE1 1 1
3 480 1 1 10 PHE CE2 C -10.126 9.513 2.778 1.00 . A A . 10 PHE CE2 1 1
3 481 1 1 10 PHE CG C -7.895 8.861 3.401 1.00 . A A . 10 PHE CG 1 1
3 482 1 1 10 PHE CZ C -9.859 10.815 3.152 1.00 . A A . 10 PHE CZ 1 1
3 483 1 1 10 PHE H H -4.487 8.818 3.520 1.00 . A A . 10 PHE H 1 1
3 484 1 1 10 PHE HA H -6.484 8.556 5.509 1.00 . A A . 10 PHE HA 1 1
3 485 1 1 10 PHE HB2 H -6.218 7.827 2.657 1.00 . A A . 10 PHE HB2 1 1
3 486 1 1 10 PHE HB3 H -7.340 6.837 3.585 1.00 . A A . 10 PHE HB3 1 1
3 487 1 1 10 PHE HD1 H -6.668 10.434 4.165 1.00 . A A . 10 PHE HD1 1 1
3 488 1 1 10 PHE HD2 H -9.360 7.528 2.608 1.00 . A A . 10 PHE HD2 1 1
3 489 1 1 10 PHE HE1 H -8.404 12.163 3.945 1.00 . A A . 10 PHE HE1 1 1
3 490 1 1 10 PHE HE2 H -11.097 9.252 2.387 1.00 . A A . 10 PHE HE2 1 1
3 491 1 1 10 PHE HZ H -10.622 11.572 3.055 1.00 . A A . 10 PHE HZ 1 1
3 492 1 1 10 PHE N N -4.710 8.653 4.458 1.00 . A A . 10 PHE N 1 1
3 493 1 1 10 PHE O O -6.397 6.119 6.263 1.00 . A A . 10 PHE O 1 1
3 494 1 1 11 . C C -3.887 4.739 6.989 1.00 . A A . 11 PH8 C 1 1
3 495 1 1 11 . CA C -4.146 4.683 5.478 1.00 . A A . 11 PH8 CA 1 1
3 496 1 1 11 . CB C -2.885 4.209 4.748 1.00 . A A . 11 PH8 CB 1 1
3 497 1 1 11 . CD1 C -0.453 0.278 3.413 1.00 . A A . 11 PH8 CD1 1 1
3 498 1 1 11 . CD2 C -0.738 0.340 5.781 1.00 . A A . 11 PH8 CD2 1 1
3 499 1 1 11 . CE1 C -0.134 -1.064 3.484 1.00 . A A . 11 PH8 CE1 1 1
3 500 1 1 11 . CE2 C -0.420 -1.002 5.857 1.00 . A A . 11 PH8 CE2 1 1
3 501 1 1 11 . CG C -0.759 0.997 4.560 1.00 . A A . 11 PH8 CG 1 1
3 502 1 1 11 . CI C -2.404 2.832 5.176 1.00 . A A . 11 PH8 CI 1 1
3 503 1 1 11 . CJ C -1.104 2.459 4.477 1.00 . A A . 11 PH8 CJ 1 1
3 504 1 1 11 . CZ C -0.118 -1.705 4.707 1.00 . A A . 11 PH8 CZ 1 1
3 505 1 1 11 . HA H -4.945 3.983 5.288 1.00 . A A . 11 PH8 HA 1 1
3 506 1 1 11 . HB H -3.090 4.179 3.688 1.00 . A A . 11 PH8 HB 1 1
3 507 1 1 11 . HBA H -2.090 4.917 4.931 1.00 . A A . 11 PH8 HBA 1 1
3 508 1 1 11 . HD1 H -0.465 0.778 2.456 1.00 . A A . 11 PH8 HD1 1 1
3 509 1 1 11 . HD2 H -0.975 0.888 6.681 1.00 . A A . 11 PH8 HD2 1 1
3 510 1 1 11 . HE1 H 0.102 -1.612 2.584 1.00 . A A . 11 PH8 HE1 1 1
3 511 1 1 11 . HE2 H -0.408 -1.502 6.814 1.00 . A A . 11 PH8 HE2 1 1
3 512 1 1 11 . HI H -2.242 2.833 6.244 1.00 . A A . 11 PH8 HI 1 1
3 513 1 1 11 . HIA H -3.160 2.104 4.924 1.00 . A A . 11 PH8 HIA 1 1
3 514 1 1 11 . HJ H -0.298 3.020 4.926 1.00 . A A . 11 PH8 HJ 1 1
3 515 1 1 11 . HJA H -1.186 2.725 3.433 1.00 . A A . 11 PH8 HJA 1 1
3 516 1 1 11 . HN H -4.012 6.427 4.282 1.00 . A A . 11 PH8 HN 1 1
3 517 1 1 11 . HZ H 0.131 -2.755 4.764 1.00 . A A . 11 PH8 HZ 1 1
3 518 1 1 11 . N N -4.562 5.986 4.964 1.00 . A A . 11 PH8 N 1 1
3 519 1 1 11 . O O -4.139 3.769 7.706 1.00 . A A . 11 PH8 O 1 1
3 520 1 1 12 NH2 HN1 H -3.203 6.610 6.854 1.00 . A A . 12 NH2 HN1 1 1
3 521 1 1 12 NH2 HN2 H -3.205 5.921 8.439 1.00 . A A . 12 NH2 HN2 1 1
3 522 1 1 12 NH2 N N -3.380 5.872 7.476 1.00 . A A . 12 NH2 N 1 1
4 523 1 1 1 HIS C C 3.693 18.201 5.711 1.00 . A A . 1 HIS C 1 1
4 524 1 1 1 HIS CA C 4.678 18.876 6.664 1.00 . A A . 1 HIS CA 1 1
4 525 1 1 1 HIS CB C 4.006 20.068 7.358 1.00 . A A . 1 HIS CB 1 1
4 526 1 1 1 HIS CD2 C 6.011 20.316 9.000 1.00 . A A . 1 HIS CD2 1 1
4 527 1 1 1 HIS CE1 C 5.295 22.065 10.110 1.00 . A A . 1 HIS CE1 1 1
4 528 1 1 1 HIS CG C 4.810 20.667 8.475 1.00 . A A . 1 HIS CG 1 1
4 529 1 1 1 HIS H1 H 6.666 19.518 6.614 1.00 . A A . 1 HIS H1 1 1
4 530 1 1 1 HIS H2 H 5.683 20.242 5.443 1.00 . A A . 1 HIS H2 1 1
4 531 1 1 1 HIS H3 H 6.195 18.643 5.246 1.00 . A A . 1 HIS H3 1 1
4 532 1 1 1 HIS HA H 4.986 18.160 7.412 1.00 . A A . 1 HIS HA 1 1
4 533 1 1 1 HIS HB2 H 3.829 20.844 6.629 1.00 . A A . 1 HIS HB2 1 1
4 534 1 1 1 HIS HB3 H 3.059 19.746 7.767 1.00 . A A . 1 HIS HB3 1 1
4 535 1 1 1 HIS HD1 H 3.552 22.254 9.058 1.00 . A A . 1 HIS HD1 1 1
4 536 1 1 1 HIS HD2 H 6.634 19.491 8.682 1.00 . A A . 1 HIS HD2 1 1
4 537 1 1 1 HIS HE1 H 5.233 22.878 10.819 1.00 . A A . 1 HIS HE1 1 1
4 538 1 1 1 HIS HE2 H 7.114 21.226 10.538 1.00 . A A . 1 HIS HE2 1 1
4 539 1 1 1 HIS N N 5.890 19.353 5.942 1.00 . A A . 1 HIS N 1 1
4 540 1 1 1 HIS ND1 N 4.390 21.766 9.196 1.00 . A A . 1 HIS ND1 1 1
4 541 1 1 1 HIS NE2 N 6.287 21.200 10.013 1.00 . A A . 1 HIS NE2 1 1
4 542 1 1 1 HIS O O 3.453 18.690 4.603 1.00 . A A . 1 HIS O 1 1
4 543 1 1 2 . C C 0.938 17.179 5.004 1.00 . A A . 2 KCY C 1 1
4 544 1 1 2 . CA C 2.160 16.318 5.352 1.00 . A A . 2 KCY CA 1 1
4 545 1 1 2 . CB C 2.834 15.800 4.073 1.00 . A A . 2 KCY CB 1 1
4 546 1 1 2 . CG C 2.073 14.684 3.376 1.00 . A A . 2 KCY CG 1 1
4 547 1 1 2 . HA H 1.826 15.478 5.937 1.00 . A A . 2 KCY HA 1 1
4 548 1 1 2 . HB H 2.938 16.620 3.378 1.00 . A A . 2 KCY HB 1 1
4 549 1 1 2 . HBA H 3.818 15.430 4.326 1.00 . A A . 2 KCY HBA 1 1
4 550 1 1 2 . HG H 1.032 14.958 3.306 1.00 . A A . 2 KCY HG 1 1
4 551 1 1 2 . HGA H 2.171 13.778 3.954 1.00 . A A . 2 KCY HGA 1 1
4 552 1 1 2 . HN H 3.361 16.743 7.045 1.00 . A A . 2 KCY HN 1 1
4 553 1 1 2 . N N 3.125 17.075 6.153 1.00 . A A . 2 KCY N 1 1
4 554 1 1 2 . O O 0.305 16.982 3.963 1.00 . A A . 2 KCY O 1 1
4 555 1 1 2 . SD S 2.693 14.354 1.692 1.00 . A A . 2 KCY SD 1 1
4 556 1 1 3 GLU C C -0.576 19.583 4.280 1.00 . A A . 3 GLU C 1 1
4 557 1 1 3 GLU CA C -0.541 19.016 5.701 1.00 . A A . 3 GLU CA 1 1
4 558 1 1 3 GLU CB C -0.512 20.153 6.732 1.00 . A A . 3 GLU CB 1 1
4 559 1 1 3 GLU CD C 0.859 21.957 7.865 1.00 . A A . 3 GLU CD 1 1
4 560 1 1 3 GLU CG C 0.771 20.973 6.712 1.00 . A A . 3 GLU CG 1 1
4 561 1 1 3 GLU H H 1.147 18.222 6.709 1.00 . A A . 3 GLU H 1 1
4 562 1 1 3 GLU HA H -1.435 18.430 5.858 1.00 . A A . 3 GLU HA 1 1
4 563 1 1 3 GLU HB2 H -1.340 20.818 6.538 1.00 . A A . 3 GLU HB2 1 1
4 564 1 1 3 GLU HB3 H -0.627 19.729 7.719 1.00 . A A . 3 GLU HB3 1 1
4 565 1 1 3 GLU HG2 H 1.613 20.300 6.768 1.00 . A A . 3 GLU HG2 1 1
4 566 1 1 3 GLU HG3 H 0.814 21.524 5.785 1.00 . A A . 3 GLU HG3 1 1
4 567 1 1 3 GLU N N 0.608 18.126 5.895 1.00 . A A . 3 GLU N 1 1
4 568 1 1 3 GLU O O 0.166 20.508 3.941 1.00 . A A . 3 GLU O 1 1
4 569 1 1 3 GLU OE1 O 0.852 21.509 9.032 1.00 . A A . 3 GLU OE1 1 1
4 570 1 1 3 GLU OE2 O 0.939 23.175 7.601 1.00 . A A . 3 GLU OE2 1 1
4 571 1 1 4 GLY C C -2.167 18.344 1.176 1.00 . A A . 4 GLY C 1 1
4 572 1 1 4 GLY CA C -1.568 19.424 2.066 1.00 . A A . 4 GLY CA 1 1
4 573 1 1 4 GLY H H -1.984 18.255 3.787 1.00 . A A . 4 GLY H 1 1
4 574 1 1 4 GLY HA2 H -2.200 20.298 2.029 1.00 . A A . 4 GLY HA2 1 1
4 575 1 1 4 GLY HA3 H -0.590 19.684 1.687 1.00 . A A . 4 GLY HA3 1 1
4 576 1 1 4 GLY N N -1.438 18.998 3.452 1.00 . A A . 4 GLY N 1 1
4 577 1 1 4 GLY O O -2.834 18.648 0.185 1.00 . A A . 4 GLY O 1 1
4 578 1 1 5 . C C -3.338 15.096 1.684 1.00 . A A . 5 HCS C 1 1
4 579 1 1 5 . CA C -2.433 15.937 0.788 1.00 . A A . 5 HCS CA 1 1
4 580 1 1 5 . CB C -1.266 15.094 0.255 1.00 . A A . 5 HCS CB 1 1
4 581 1 1 5 . CG C -0.295 14.656 1.340 1.00 . A A . 5 HCS CG 1 1
4 582 1 1 5 . H H -1.396 16.913 2.343 1.00 . A A . 5 HCS H 1 1
4 583 1 1 5 . HB2 H -1.663 14.211 -0.224 1.00 . A A . 5 HCS HB2 1 1
4 584 1 1 5 . HB3 H -0.721 15.675 -0.474 1.00 . A A . 5 HCS HB3 1 1
4 585 1 1 5 . HCA H -3.013 16.310 -0.044 1.00 . A A . 5 HCS HCA 1 1
4 586 1 1 5 . HG2 H 0.135 15.533 1.797 1.00 . A A . 5 HCS HG2 1 1
4 587 1 1 5 . HG3 H -0.835 14.089 2.085 1.00 . A A . 5 HCS HG3 1 1
4 588 1 1 5 . N N -1.926 17.082 1.537 1.00 . A A . 5 HCS N 1 1
4 589 1 1 5 . O O -3.058 13.927 1.955 1.00 . A A . 5 HCS O 1 1
4 590 1 1 5 . SD S 1.069 13.621 0.720 1.00 . A A . 5 HCS SD 1 1
4 591 1 1 6 PHE C C -5.771 13.667 2.527 1.00 . A A . 6 PHE C 1 1
4 592 1 1 6 PHE CA C -5.366 15.052 3.049 1.00 . A A . 6 PHE CA 1 1
4 593 1 1 6 PHE CB C -6.593 15.943 3.277 1.00 . A A . 6 PHE CB 1 1
4 594 1 1 6 PHE CD1 C -8.094 15.296 1.359 1.00 . A A . 6 PHE CD1 1 1
4 595 1 1 6 PHE CD2 C -7.399 17.571 1.542 1.00 . A A . 6 PHE CD2 1 1
4 596 1 1 6 PHE CE1 C -8.816 15.604 0.223 1.00 . A A . 6 PHE CE1 1 1
4 597 1 1 6 PHE CE2 C -8.121 17.885 0.406 1.00 . A A . 6 PHE CE2 1 1
4 598 1 1 6 PHE CG C -7.375 16.274 2.032 1.00 . A A . 6 PHE CG 1 1
4 599 1 1 6 PHE CZ C -8.829 16.900 -0.255 1.00 . A A . 6 PHE CZ 1 1
4 600 1 1 6 PHE H H -4.569 16.655 1.918 1.00 . A A . 6 PHE H 1 1
4 601 1 1 6 PHE HA H -4.867 14.916 3.997 1.00 . A A . 6 PHE HA 1 1
4 602 1 1 6 PHE HB2 H -7.254 15.448 3.961 1.00 . A A . 6 PHE HB2 1 1
4 603 1 1 6 PHE HB3 H -6.267 16.875 3.719 1.00 . A A . 6 PHE HB3 1 1
4 604 1 1 6 PHE HD1 H -8.086 14.281 1.732 1.00 . A A . 6 PHE HD1 1 1
4 605 1 1 6 PHE HD2 H -6.844 18.342 2.056 1.00 . A A . 6 PHE HD2 1 1
4 606 1 1 6 PHE HE1 H -9.370 14.832 -0.292 1.00 . A A . 6 PHE HE1 1 1
4 607 1 1 6 PHE HE2 H -8.131 18.900 0.036 1.00 . A A . 6 PHE HE2 1 1
4 608 1 1 6 PHE HZ H -9.395 17.144 -1.142 1.00 . A A . 6 PHE HZ 1 1
4 609 1 1 6 PHE N N -4.416 15.717 2.160 1.00 . A A . 6 PHE N 1 1
4 610 1 1 6 PHE O O -6.003 12.752 3.318 1.00 . A A . 6 PHE O 1 1
4 611 1 1 7 THR C C -5.150 11.160 0.971 1.00 . A A . 7 THR C 1 1
4 612 1 1 7 THR CA C -6.188 12.221 0.599 1.00 . A A . 7 THR CA 1 1
4 613 1 1 7 THR CB C -6.286 12.318 -0.941 1.00 . A A . 7 THR CB 1 1
4 614 1 1 7 THR CG2 C -6.669 10.975 -1.552 1.00 . A A . 7 THR CG2 1 1
4 615 1 1 7 THR H H -5.628 14.267 0.615 1.00 . A A . 7 THR H 1 1
4 616 1 1 7 THR HA H -7.150 11.922 0.986 1.00 . A A . 7 THR HA 1 1
4 617 1 1 7 THR HB H -5.320 12.611 -1.330 1.00 . A A . 7 THR HB 1 1
4 618 1 1 7 THR HG1 H -6.813 14.136 -1.496 1.00 . A A . 7 THR HG1 1 1
4 619 1 1 7 THR HG21 H -7.255 11.139 -2.445 1.00 . A A . 7 THR HG21 1 1
4 620 1 1 7 THR HG22 H -7.249 10.406 -0.840 1.00 . A A . 7 THR HG22 1 1
4 621 1 1 7 THR HG23 H -5.774 10.427 -1.805 1.00 . A A . 7 THR HG23 1 1
4 622 1 1 7 THR N N -5.836 13.508 1.199 1.00 . A A . 7 THR N 1 1
4 623 1 1 7 THR O O -5.497 10.054 1.390 1.00 . A A . 7 THR O 1 1
4 624 1 1 7 THR OG1 O -7.257 13.306 -1.309 1.00 . A A . 7 THR OG1 1 1
4 625 1 1 8 SER C C -2.797 10.207 2.630 1.00 . A A . 8 SER C 1 1
4 626 1 1 8 SER CA C -2.764 10.629 1.156 1.00 . A A . 8 SER CA 1 1
4 627 1 1 8 SER CB C -1.429 11.308 0.836 1.00 . A A . 8 SER CB 1 1
4 628 1 1 8 SER H H -3.674 12.425 0.501 1.00 . A A . 8 SER H 1 1
4 629 1 1 8 SER HA H -2.861 9.745 0.542 1.00 . A A . 8 SER HA 1 1
4 630 1 1 8 SER HB2 H -1.401 11.566 -0.212 1.00 . A A . 8 SER HB2 1 1
4 631 1 1 8 SER HB3 H -1.332 12.205 1.429 1.00 . A A . 8 SER HB3 1 1
4 632 1 1 8 SER HG H 0.017 10.660 1.990 1.00 . A A . 8 SER HG 1 1
4 633 1 1 8 SER N N -3.875 11.522 0.828 1.00 . A A . 8 SER N 1 1
4 634 1 1 8 SER O O -2.296 9.137 2.981 1.00 . A A . 8 SER O 1 1
4 635 1 1 8 SER OG O -0.336 10.451 1.122 1.00 . A A . 8 SER OG 1 1
4 636 1 1 9 ASP C C -3.900 9.333 5.185 1.00 . A A . 9 ASP C 1 1
4 637 1 1 9 ASP CA C -3.485 10.783 4.924 1.00 . A A . 9 ASP CA 1 1
4 638 1 1 9 ASP CB C -4.490 11.743 5.578 1.00 . A A . 9 ASP CB 1 1
4 639 1 1 9 ASP CG C -4.456 11.725 7.102 1.00 . A A . 9 ASP CG 1 1
4 640 1 1 9 ASP H H -3.756 11.896 3.141 1.00 . A A . 9 ASP H 1 1
4 641 1 1 9 ASP HA H -2.511 10.946 5.359 1.00 . A A . 9 ASP HA 1 1
4 642 1 1 9 ASP HB2 H -4.276 12.748 5.249 1.00 . A A . 9 ASP HB2 1 1
4 643 1 1 9 ASP HB3 H -5.486 11.473 5.258 1.00 . A A . 9 ASP HB3 1 1
4 644 1 1 9 ASP N N -3.384 11.058 3.486 1.00 . A A . 9 ASP N 1 1
4 645 1 1 9 ASP O O -3.381 8.691 6.100 1.00 . A A . 9 ASP O 1 1
4 646 1 1 9 ASP OD1 O -3.585 11.042 7.685 1.00 . A A . 9 ASP OD1 1 1
4 647 1 1 9 ASP OD2 O -5.301 12.411 7.715 1.00 . A A . 9 ASP OD2 1 1
4 648 1 1 10 PHE C C -4.087 6.477 4.482 1.00 . A A . 10 PHE C 1 1
4 649 1 1 10 PHE CA C -5.286 7.435 4.510 1.00 . A A . 10 PHE CA 1 1
4 650 1 1 10 PHE CB C -6.291 7.093 3.399 1.00 . A A . 10 PHE CB 1 1
4 651 1 1 10 PHE CD1 C -7.280 5.193 4.726 1.00 . A A . 10 PHE CD1 1 1
4 652 1 1 10 PHE CD2 C -7.051 4.935 2.365 1.00 . A A . 10 PHE CD2 1 1
4 653 1 1 10 PHE CE1 C -7.827 3.927 4.814 1.00 . A A . 10 PHE CE1 1 1
4 654 1 1 10 PHE CE2 C -7.597 3.668 2.448 1.00 . A A . 10 PHE CE2 1 1
4 655 1 1 10 PHE CG C -6.885 5.712 3.501 1.00 . A A . 10 PHE CG 1 1
4 656 1 1 10 PHE CZ C -7.986 3.164 3.673 1.00 . A A . 10 PHE CZ 1 1
4 657 1 1 10 PHE H H -5.192 9.373 3.646 1.00 . A A . 10 PHE H 1 1
4 658 1 1 10 PHE HA H -5.776 7.350 5.469 1.00 . A A . 10 PHE HA 1 1
4 659 1 1 10 PHE HB2 H -7.105 7.802 3.432 1.00 . A A . 10 PHE HB2 1 1
4 660 1 1 10 PHE HB3 H -5.796 7.171 2.442 1.00 . A A . 10 PHE HB3 1 1
4 661 1 1 10 PHE HD1 H -7.155 5.788 5.620 1.00 . A A . 10 PHE HD1 1 1
4 662 1 1 10 PHE HD2 H -6.748 5.327 1.406 1.00 . A A . 10 PHE HD2 1 1
4 663 1 1 10 PHE HE1 H -8.130 3.534 5.773 1.00 . A A . 10 PHE HE1 1 1
4 664 1 1 10 PHE HE2 H -7.721 3.074 1.555 1.00 . A A . 10 PHE HE2 1 1
4 665 1 1 10 PHE HZ H -8.414 2.174 3.739 1.00 . A A . 10 PHE HZ 1 1
4 666 1 1 10 PHE N N -4.824 8.816 4.367 1.00 . A A . 10 PHE N 1 1
4 667 1 1 10 PHE O O -4.073 5.485 3.749 1.00 . A A . 10 PHE O 1 1
4 668 1 1 11 . C C -1.255 6.098 6.796 1.00 . A A . 11 PH8 C 1 1
4 669 1 1 11 . CA C -1.858 6.005 5.394 1.00 . A A . 11 PH8 CA 1 1
4 670 1 1 11 . CB C -0.824 6.469 4.360 1.00 . A A . 11 PH8 CB 1 1
4 671 1 1 11 . CD1 C 1.570 4.247 2.796 1.00 . A A . 11 PH8 CD1 1 1
4 672 1 1 11 . CD2 C 0.320 3.405 0.944 1.00 . A A . 11 PH8 CD2 1 1
4 673 1 1 11 . CE1 C 2.746 3.846 2.189 1.00 . A A . 11 PH8 CE1 1 1
4 674 1 1 11 . CE2 C 1.493 3.003 0.332 1.00 . A A . 11 PH8 CE2 1 1
4 675 1 1 11 . CG C 0.344 4.031 2.182 1.00 . A A . 11 PH8 CG 1 1
4 676 1 1 11 . CI C -1.095 5.977 2.947 1.00 . A A . 11 PH8 CI 1 1
4 677 1 1 11 . CJ C -0.936 4.466 2.843 1.00 . A A . 11 PH8 CJ 1 1
4 678 1 1 11 . CZ C 2.707 3.223 0.955 1.00 . A A . 11 PH8 CZ 1 1
4 679 1 1 11 . HA H -2.117 4.976 5.194 1.00 . A A . 11 PH8 HA 1 1
4 680 1 1 11 . HB H -0.811 7.548 4.343 1.00 . A A . 11 PH8 HB 1 1
4 681 1 1 11 . HBA H 0.149 6.114 4.661 1.00 . A A . 11 PH8 HBA 1 1
4 682 1 1 11 . HD1 H 1.603 4.733 3.760 1.00 . A A . 11 PH8 HD1 1 1
4 683 1 1 11 . HD2 H -0.628 3.232 0.456 1.00 . A A . 11 PH8 HD2 1 1
4 684 1 1 11 . HE1 H 3.693 4.020 2.677 1.00 . A A . 11 PH8 HE1 1 1
4 685 1 1 11 . HE2 H 1.460 2.516 -0.632 1.00 . A A . 11 PH8 HE2 1 1
4 686 1 1 11 . HI H -2.103 6.244 2.669 1.00 . A A . 11 PH8 HI 1 1
4 687 1 1 11 . HIA H -0.397 6.450 2.272 1.00 . A A . 11 PH8 HIA 1 1
4 688 1 1 11 . HJ H -1.762 4.070 2.272 1.00 . A A . 11 PH8 HJ 1 1
4 689 1 1 11 . HJA H -0.957 4.047 3.838 1.00 . A A . 11 PH8 HJA 1 1
4 690 1 1 11 . HN H -3.160 7.608 5.847 1.00 . A A . 11 PH8 HN 1 1
4 691 1 1 11 . HZ H 3.624 2.909 0.479 1.00 . A A . 11 PH8 HZ 1 1
4 692 1 1 11 . N N -3.080 6.802 5.296 1.00 . A A . 11 PH8 N 1 1
4 693 1 1 11 . O O -1.025 5.081 7.451 1.00 . A A . 11 PH8 O 1 1
4 694 1 1 12 NH2 HN1 H -1.202 8.089 6.684 1.00 . A A . 12 NH2 HN1 1 1
4 695 1 1 12 NH2 HN2 H -0.604 7.403 8.152 1.00 . A A . 12 NH2 HN2 1 1
4 696 1 1 12 NH2 N N -0.994 7.321 7.257 1.00 . A A . 12 NH2 N 1 1
5 697 1 1 1 HIS C C 3.793 17.781 4.236 1.00 . A A . 1 HIS C 1 1
5 698 1 1 1 HIS CA C 5.210 18.163 4.658 1.00 . A A . 1 HIS CA 1 1
5 699 1 1 1 HIS CB C 5.441 19.660 4.417 1.00 . A A . 1 HIS CB 1 1
5 700 1 1 1 HIS CD2 C 7.799 20.721 4.197 1.00 . A A . 1 HIS CD2 1 1
5 701 1 1 1 HIS CE1 C 8.413 20.576 6.297 1.00 . A A . 1 HIS CE1 1 1
5 702 1 1 1 HIS CG C 6.780 20.148 4.881 1.00 . A A . 1 HIS CG 1 1
5 703 1 1 1 HIS H1 H 6.230 17.685 2.897 1.00 . A A . 1 HIS H1 1 1
5 704 1 1 1 HIS H2 H 6.017 16.374 3.943 1.00 . A A . 1 HIS H2 1 1
5 705 1 1 1 HIS H3 H 7.176 17.553 4.294 1.00 . A A . 1 HIS H3 1 1
5 706 1 1 1 HIS HA H 5.334 17.950 5.709 1.00 . A A . 1 HIS HA 1 1
5 707 1 1 1 HIS HB2 H 5.364 19.863 3.360 1.00 . A A . 1 HIS HB2 1 1
5 708 1 1 1 HIS HB3 H 4.682 20.222 4.942 1.00 . A A . 1 HIS HB3 1 1
5 709 1 1 1 HIS HD1 H 6.679 19.700 6.938 1.00 . A A . 1 HIS HD1 1 1
5 710 1 1 1 HIS HD2 H 7.819 20.937 3.138 1.00 . A A . 1 HIS HD2 1 1
5 711 1 1 1 HIS HE1 H 8.992 20.649 7.206 1.00 . A A . 1 HIS HE1 1 1
5 712 1 1 1 HIS HE2 H 9.700 21.298 4.876 1.00 . A A . 1 HIS HE2 1 1
5 713 1 1 1 HIS N N 6.229 17.390 3.895 1.00 . A A . 1 HIS N 1 1
5 714 1 1 1 HIS ND1 N 7.197 20.071 6.193 1.00 . A A . 1 HIS ND1 1 1
5 715 1 1 1 HIS NE2 N 8.801 20.977 5.100 1.00 . A A . 1 HIS NE2 1 1
5 716 1 1 1 HIS O O 3.492 17.722 3.042 1.00 . A A . 1 HIS O 1 1
5 717 1 1 2 . C C 0.678 18.365 4.573 1.00 . A A . 2 KCY C 1 1
5 718 1 1 2 . CA C 1.526 17.158 4.993 1.00 . A A . 2 KCY CA 1 1
5 719 1 1 2 . CB C 1.420 16.037 3.950 1.00 . A A . 2 KCY CB 1 1
5 720 1 1 2 . CG C -0.004 15.569 3.683 1.00 . A A . 2 KCY CG 1 1
5 721 1 1 2 . HA H 1.137 16.791 5.929 1.00 . A A . 2 KCY HA 1 1
5 722 1 1 2 . HB H 1.837 16.387 3.018 1.00 . A A . 2 KCY HB 1 1
5 723 1 1 2 . HBA H 1.995 15.189 4.292 1.00 . A A . 2 KCY HBA 1 1
5 724 1 1 2 . HG H 0.001 14.915 2.822 1.00 . A A . 2 KCY HG 1 1
5 725 1 1 2 . HGA H -0.617 16.430 3.474 1.00 . A A . 2 KCY HGA 1 1
5 726 1 1 2 . HN H 3.243 17.606 6.154 1.00 . A A . 2 KCY HN 1 1
5 727 1 1 2 . N N 2.929 17.532 5.228 1.00 . A A . 2 KCY N 1 1
5 728 1 1 2 . O O -0.415 18.568 5.105 1.00 . A A . 2 KCY O 1 1
5 729 1 1 2 . SD S -0.760 14.664 5.080 1.00 . A A . 2 KCY SD 1 1
5 730 1 1 3 GLU C C -0.940 19.977 2.655 1.00 . A A . 3 GLU C 1 1
5 731 1 1 3 GLU CA C 0.452 20.347 3.163 1.00 . A A . 3 GLU CA 1 1
5 732 1 1 3 GLU CB C 1.246 21.060 2.063 1.00 . A A . 3 GLU CB 1 1
5 733 1 1 3 GLU CD C 3.420 22.223 1.416 1.00 . A A . 3 GLU CD 1 1
5 734 1 1 3 GLU CG C 2.619 21.544 2.518 1.00 . A A . 3 GLU CG 1 1
5 735 1 1 3 GLU H H 2.049 18.959 3.237 1.00 . A A . 3 GLU H 1 1
5 736 1 1 3 GLU HA H 0.346 21.016 4.004 1.00 . A A . 3 GLU HA 1 1
5 737 1 1 3 GLU HB2 H 1.384 20.379 1.236 1.00 . A A . 3 GLU HB2 1 1
5 738 1 1 3 GLU HB3 H 0.681 21.915 1.724 1.00 . A A . 3 GLU HB3 1 1
5 739 1 1 3 GLU HG2 H 2.485 22.248 3.325 1.00 . A A . 3 GLU HG2 1 1
5 740 1 1 3 GLU HG3 H 3.181 20.694 2.877 1.00 . A A . 3 GLU HG3 1 1
5 741 1 1 3 GLU N N 1.176 19.165 3.628 1.00 . A A . 3 GLU N 1 1
5 742 1 1 3 GLU O O -1.091 19.451 1.550 1.00 . A A . 3 GLU O 1 1
5 743 1 1 3 GLU OE1 O 2.911 22.336 0.278 1.00 . A A . 3 GLU OE1 1 1
5 744 1 1 3 GLU OE2 O 4.563 22.644 1.694 1.00 . A A . 3 GLU OE2 1 1
5 745 1 1 4 GLY C C -3.766 18.546 3.523 1.00 . A A . 4 GLY C 1 1
5 746 1 1 4 GLY CA C -3.329 19.945 3.110 1.00 . A A . 4 GLY CA 1 1
5 747 1 1 4 GLY H H -1.767 20.667 4.348 1.00 . A A . 4 GLY H 1 1
5 748 1 1 4 GLY HA2 H -3.983 20.664 3.581 1.00 . A A . 4 GLY HA2 1 1
5 749 1 1 4 GLY HA3 H -3.429 20.038 2.038 1.00 . A A . 4 GLY HA3 1 1
5 750 1 1 4 GLY N N -1.955 20.254 3.479 1.00 . A A . 4 GLY N 1 1
5 751 1 1 4 GLY O O -4.943 18.328 3.819 1.00 . A A . 4 GLY O 1 1
5 752 1 1 5 . C C -4.223 15.624 3.028 1.00 . A A . 5 HCS C 1 1
5 753 1 1 5 . CA C -3.113 16.208 3.907 1.00 . A A . 5 HCS CA 1 1
5 754 1 1 5 . CB C -3.502 16.106 5.389 1.00 . A A . 5 HCS CB 1 1
5 755 1 1 5 . CG C -2.562 16.835 6.342 1.00 . A A . 5 HCS CG 1 1
5 756 1 1 5 . H H -1.905 17.836 3.291 1.00 . A A . 5 HCS H 1 1
5 757 1 1 5 . HB2 H -4.492 16.519 5.516 1.00 . A A . 5 HCS HB2 1 1
5 758 1 1 5 . HB3 H -3.522 15.063 5.669 1.00 . A A . 5 HCS HB3 1 1
5 759 1 1 5 . HCA H -2.219 15.635 3.741 1.00 . A A . 5 HCS HCA 1 1
5 760 1 1 5 . HG2 H -2.395 17.832 5.966 1.00 . A A . 5 HCS HG2 1 1
5 761 1 1 5 . HG3 H -3.036 16.897 7.312 1.00 . A A . 5 HCS HG3 1 1
5 762 1 1 5 . N N -2.823 17.597 3.537 1.00 . A A . 5 HCS N 1 1
5 763 1 1 5 . O O -5.161 14.996 3.525 1.00 . A A . 5 HCS O 1 1
5 764 1 1 5 . SD S -0.926 16.042 6.564 1.00 . A A . 5 HCS SD 1 1
5 765 1 1 6 PHE C C -5.289 13.814 0.928 1.00 . A A . 6 PHE C 1 1
5 766 1 1 6 PHE CA C -5.102 15.324 0.770 1.00 . A A . 6 PHE CA 1 1
5 767 1 1 6 PHE CB C -4.685 15.654 -0.668 1.00 . A A . 6 PHE CB 1 1
5 768 1 1 6 PHE CD1 C -7.017 15.561 -1.603 1.00 . A A . 6 PHE CD1 1 1
5 769 1 1 6 PHE CD2 C -5.275 14.441 -2.787 1.00 . A A . 6 PHE CD2 1 1
5 770 1 1 6 PHE CE1 C -7.931 15.153 -2.556 1.00 . A A . 6 PHE CE1 1 1
5 771 1 1 6 PHE CE2 C -6.185 14.031 -3.742 1.00 . A A . 6 PHE CE2 1 1
5 772 1 1 6 PHE CG C -5.679 15.210 -1.707 1.00 . A A . 6 PHE CG 1 1
5 773 1 1 6 PHE CZ C -7.514 14.387 -3.627 1.00 . A A . 6 PHE CZ 1 1
5 774 1 1 6 PHE H H -3.340 16.335 1.377 1.00 . A A . 6 PHE H 1 1
5 775 1 1 6 PHE HA H -6.041 15.813 0.984 1.00 . A A . 6 PHE HA 1 1
5 776 1 1 6 PHE HB2 H -4.563 16.722 -0.763 1.00 . A A . 6 PHE HB2 1 1
5 777 1 1 6 PHE HB3 H -3.743 15.170 -0.880 1.00 . A A . 6 PHE HB3 1 1
5 778 1 1 6 PHE HD1 H -7.344 16.161 -0.766 1.00 . A A . 6 PHE HD1 1 1
5 779 1 1 6 PHE HD2 H -4.236 14.161 -2.879 1.00 . A A . 6 PHE HD2 1 1
5 780 1 1 6 PHE HE1 H -8.970 15.433 -2.462 1.00 . A A . 6 PHE HE1 1 1
5 781 1 1 6 PHE HE2 H -5.857 13.432 -4.579 1.00 . A A . 6 PHE HE2 1 1
5 782 1 1 6 PHE HZ H -8.227 14.067 -4.372 1.00 . A A . 6 PHE HZ 1 1
5 783 1 1 6 PHE N N -4.110 15.831 1.716 1.00 . A A . 6 PHE N 1 1
5 784 1 1 6 PHE O O -6.418 13.326 1.000 1.00 . A A . 6 PHE O 1 1
5 785 1 1 7 THR C C -4.143 11.202 2.606 1.00 . A A . 7 THR C 1 1
5 786 1 1 7 THR CA C -4.209 11.630 1.133 1.00 . A A . 7 THR CA 1 1
5 787 1 1 7 THR CB C -3.061 10.957 0.349 1.00 . A A . 7 THR CB 1 1
5 788 1 1 7 THR CG2 C -3.192 11.228 -1.144 1.00 . A A . 7 THR CG2 1 1
5 789 1 1 7 THR H H -3.305 13.532 0.923 1.00 . A A . 7 THR H 1 1
5 790 1 1 7 THR HA H -5.144 11.282 0.718 1.00 . A A . 7 THR HA 1 1
5 791 1 1 7 THR HB H -3.113 9.890 0.510 1.00 . A A . 7 THR HB 1 1
5 792 1 1 7 THR HG1 H -1.210 10.694 0.978 1.00 . A A . 7 THR HG1 1 1
5 793 1 1 7 THR HG21 H -2.418 10.694 -1.676 1.00 . A A . 7 THR HG21 1 1
5 794 1 1 7 THR HG22 H -3.090 12.287 -1.328 1.00 . A A . 7 THR HG22 1 1
5 795 1 1 7 THR HG23 H -4.160 10.894 -1.487 1.00 . A A . 7 THR HG23 1 1
5 796 1 1 7 THR N N -4.174 13.083 0.982 1.00 . A A . 7 THR N 1 1
5 797 1 1 7 THR O O -3.428 10.257 2.950 1.00 . A A . 7 THR O 1 1
5 798 1 1 7 THR OG1 O -1.794 11.438 0.815 1.00 . A A . 7 THR OG1 1 1
5 799 1 1 8 SER C C -5.168 10.073 5.131 1.00 . A A . 8 SER C 1 1
5 800 1 1 8 SER CA C -4.917 11.564 4.905 1.00 . A A . 8 SER CA 1 1
5 801 1 1 8 SER CB C -5.989 12.380 5.634 1.00 . A A . 8 SER CB 1 1
5 802 1 1 8 SER H H -5.450 12.633 3.147 1.00 . A A . 8 SER H 1 1
5 803 1 1 8 SER HA H -3.951 11.816 5.313 1.00 . A A . 8 SER HA 1 1
5 804 1 1 8 SER HB2 H -6.922 12.303 5.096 1.00 . A A . 8 SER HB2 1 1
5 805 1 1 8 SER HB3 H -6.117 11.989 6.632 1.00 . A A . 8 SER HB3 1 1
5 806 1 1 8 SER HG H -6.004 14.225 4.980 1.00 . A A . 8 SER HG 1 1
5 807 1 1 8 SER N N -4.896 11.892 3.474 1.00 . A A . 8 SER N 1 1
5 808 1 1 8 SER O O -4.503 9.444 5.956 1.00 . A A . 8 SER O 1 1
5 809 1 1 8 SER OG O -5.628 13.746 5.722 1.00 . A A . 8 SER OG 1 1
5 810 1 1 9 ASP C C -5.265 7.217 4.135 1.00 . A A . 9 ASP C 1 1
5 811 1 1 9 ASP CA C -6.462 8.096 4.499 1.00 . A A . 9 ASP CA 1 1
5 812 1 1 9 ASP CB C -7.653 7.754 3.597 1.00 . A A . 9 ASP CB 1 1
5 813 1 1 9 ASP CG C -8.910 8.519 3.975 1.00 . A A . 9 ASP CG 1 1
5 814 1 1 9 ASP H H -6.614 10.072 3.746 1.00 . A A . 9 ASP H 1 1
5 815 1 1 9 ASP HA H -6.733 7.902 5.524 1.00 . A A . 9 ASP HA 1 1
5 816 1 1 9 ASP HB2 H -7.403 7.995 2.575 1.00 . A A . 9 ASP HB2 1 1
5 817 1 1 9 ASP HB3 H -7.861 6.697 3.673 1.00 . A A . 9 ASP HB3 1 1
5 818 1 1 9 ASP N N -6.125 9.516 4.388 1.00 . A A . 9 ASP N 1 1
5 819 1 1 9 ASP O O -4.986 6.225 4.813 1.00 . A A . 9 ASP O 1 1
5 820 1 1 9 ASP OD1 O -9.399 8.336 5.110 1.00 . A A . 9 ASP OD1 1 1
5 821 1 1 9 ASP OD2 O -9.402 9.302 3.136 1.00 . A A . 9 ASP OD2 1 1
5 822 1 1 10 PHE C C -2.284 6.872 3.682 1.00 . A A . 10 PHE C 1 1
5 823 1 1 10 PHE CA C -3.387 6.841 2.616 1.00 . A A . 10 PHE CA 1 1
5 824 1 1 10 PHE CB C -2.871 7.416 1.288 1.00 . A A . 10 PHE CB 1 1
5 825 1 1 10 PHE CD1 C -1.889 5.237 0.505 1.00 . A A . 10 PHE CD1 1 1
5 826 1 1 10 PHE CD2 C -0.610 7.229 0.212 1.00 . A A . 10 PHE CD2 1 1
5 827 1 1 10 PHE CE1 C -0.876 4.498 -0.075 1.00 . A A . 10 PHE CE1 1 1
5 828 1 1 10 PHE CE2 C 0.406 6.494 -0.369 1.00 . A A . 10 PHE CE2 1 1
5 829 1 1 10 PHE CG C -1.768 6.610 0.656 1.00 . A A . 10 PHE CG 1 1
5 830 1 1 10 PHE CZ C 0.273 5.127 -0.513 1.00 . A A . 10 PHE CZ 1 1
5 831 1 1 10 PHE H H -4.827 8.396 2.573 1.00 . A A . 10 PHE H 1 1
5 832 1 1 10 PHE HA H -3.691 5.816 2.462 1.00 . A A . 10 PHE HA 1 1
5 833 1 1 10 PHE HB2 H -3.689 7.463 0.585 1.00 . A A . 10 PHE HB2 1 1
5 834 1 1 10 PHE HB3 H -2.496 8.414 1.461 1.00 . A A . 10 PHE HB3 1 1
5 835 1 1 10 PHE HD1 H -2.787 4.744 0.847 1.00 . A A . 10 PHE HD1 1 1
5 836 1 1 10 PHE HD2 H -0.504 8.298 0.323 1.00 . A A . 10 PHE HD2 1 1
5 837 1 1 10 PHE HE1 H -0.983 3.429 -0.186 1.00 . A A . 10 PHE HE1 1 1
5 838 1 1 10 PHE HE2 H 1.303 6.989 -0.711 1.00 . A A . 10 PHE HE2 1 1
5 839 1 1 10 PHE HZ H 1.066 4.551 -0.966 1.00 . A A . 10 PHE HZ 1 1
5 840 1 1 10 PHE N N -4.558 7.592 3.066 1.00 . A A . 10 PHE N 1 1
5 841 1 1 10 PHE O O -1.095 6.958 3.366 1.00 . A A . 10 PHE O 1 1
5 842 1 1 11 . C C -2.326 6.070 7.289 1.00 . A A . 11 PH8 C 1 1
5 843 1 1 11 . CA C -1.756 6.815 6.074 1.00 . A A . 11 PH8 CA 1 1
5 844 1 1 11 . CB C -1.422 8.260 6.465 1.00 . A A . 11 PH8 CB 1 1
5 845 1 1 11 . CD1 C -0.050 11.522 3.542 1.00 . A A . 11 PH8 CD1 1 1
5 846 1 1 11 . CD2 C 1.646 11.706 5.209 1.00 . A A . 11 PH8 CD2 1 1
5 847 1 1 11 . CE1 C 0.743 12.223 2.654 1.00 . A A . 11 PH8 CE1 1 1
5 848 1 1 11 . CE2 C 2.443 12.408 4.325 1.00 . A A . 11 PH8 CE2 1 1
5 849 1 1 11 . CG C 0.392 11.255 4.829 1.00 . A A . 11 PH8 CG 1 1
5 850 1 1 11 . CI C -0.770 9.066 5.352 1.00 . A A . 11 PH8 CI 1 1
5 851 1 1 11 . CJ C -0.472 10.491 5.792 1.00 . A A . 11 PH8 CJ 1 1
5 852 1 1 11 . CZ C 1.991 12.667 3.046 1.00 . A A . 11 PH8 CZ 1 1
5 853 1 1 11 . HA H -0.851 6.319 5.757 1.00 . A A . 11 PH8 HA 1 1
5 854 1 1 11 . HB H -2.333 8.762 6.755 1.00 . A A . 11 PH8 HB 1 1
5 855 1 1 11 . HBA H -0.748 8.244 7.310 1.00 . A A . 11 PH8 HBA 1 1
5 856 1 1 11 . HD1 H -1.026 11.176 3.235 1.00 . A A . 11 PH8 HD1 1 1
5 857 1 1 11 . HD2 H 2.001 11.504 6.209 1.00 . A A . 11 PH8 HD2 1 1
5 858 1 1 11 . HE1 H 0.388 12.424 1.654 1.00 . A A . 11 PH8 HE1 1 1
5 859 1 1 11 . HE2 H 3.418 12.753 4.634 1.00 . A A . 11 PH8 HE2 1 1
5 860 1 1 11 . HI H 0.156 8.587 5.069 1.00 . A A . 11 PH8 HI 1 1
5 861 1 1 11 . HIA H -1.437 9.096 4.504 1.00 . A A . 11 PH8 HIA 1 1
5 862 1 1 11 . HJ H 0.034 10.460 6.746 1.00 . A A . 11 PH8 HJ 1 1
5 863 1 1 11 . HJA H -1.407 11.022 5.899 1.00 . A A . 11 PH8 HJA 1 1
5 864 1 1 11 . HN H -3.655 6.729 5.137 1.00 . A A . 11 PH8 HN 1 1
5 865 1 1 11 . HZ H 2.612 13.215 2.353 1.00 . A A . 11 PH8 HZ 1 1
5 866 1 1 11 . N N -2.695 6.797 4.951 1.00 . A A . 11 PH8 N 1 1
5 867 1 1 11 . O O -1.952 6.346 8.429 1.00 . A A . 11 PH8 O 1 1
5 868 1 1 12 NH2 HN1 H -3.486 4.940 6.121 1.00 . A A . 12 NH2 HN1 1 1
5 869 1 1 12 NH2 HN2 H -3.594 4.628 7.816 1.00 . A A . 12 NH2 HN2 1 1
5 870 1 1 12 NH2 N N -3.227 5.116 7.050 1.00 . A A . 12 NH2 N 1 1
6 871 1 1 1 HIS C C 3.601 18.108 5.605 1.00 . A A . 1 HIS C 1 1
6 872 1 1 1 HIS CA C 4.534 18.329 6.802 1.00 . A A . 1 HIS CA 1 1
6 873 1 1 1 HIS CB C 5.899 18.856 6.329 1.00 . A A . 1 HIS CB 1 1
6 874 1 1 1 HIS CD2 C 6.296 16.719 4.891 1.00 . A A . 1 HIS CD2 1 1
6 875 1 1 1 HIS CE1 C 8.286 17.219 4.123 1.00 . A A . 1 HIS CE1 1 1
6 876 1 1 1 HIS CG C 6.638 17.926 5.406 1.00 . A A . 1 HIS CG 1 1
6 877 1 1 1 HIS H1 H 5.670 17.099 8.059 1.00 . A A . 1 HIS H1 1 1
6 878 1 1 1 HIS H2 H 4.737 16.249 6.935 1.00 . A A . 1 HIS H2 1 1
6 879 1 1 1 HIS H3 H 4.000 16.953 8.283 1.00 . A A . 1 HIS H3 1 1
6 880 1 1 1 HIS HA H 4.085 19.057 7.461 1.00 . A A . 1 HIS HA 1 1
6 881 1 1 1 HIS HB2 H 5.751 19.789 5.806 1.00 . A A . 1 HIS HB2 1 1
6 882 1 1 1 HIS HB3 H 6.523 19.032 7.193 1.00 . A A . 1 HIS HB3 1 1
6 883 1 1 1 HIS HD1 H 8.414 19.017 5.092 1.00 . A A . 1 HIS HD1 1 1
6 884 1 1 1 HIS HD2 H 5.374 16.184 5.070 1.00 . A A . 1 HIS HD2 1 1
6 885 1 1 1 HIS HE1 H 9.227 17.167 3.596 1.00 . A A . 1 HIS HE1 1 1
6 886 1 1 1 HIS HE2 H 7.404 15.432 3.658 1.00 . A A . 1 HIS HE2 1 1
6 887 1 1 1 HIS N N 4.751 17.070 7.572 1.00 . A A . 1 HIS N 1 1
6 888 1 1 1 HIS ND1 N 7.892 18.209 4.905 1.00 . A A . 1 HIS ND1 1 1
6 889 1 1 1 HIS NE2 N 7.337 16.304 4.100 1.00 . A A . 1 HIS NE2 1 1
6 890 1 1 1 HIS O O 3.814 18.679 4.536 1.00 . A A . 1 HIS O 1 1
6 891 1 1 2 . C C 0.571 18.089 4.560 1.00 . A A . 2 KCY C 1 1
6 892 1 1 2 . CA C 1.577 16.954 4.766 1.00 . A A . 2 KCY CA 1 1
6 893 1 1 2 . CB C 2.256 16.570 3.432 1.00 . A A . 2 KCY CB 1 1
6 894 1 1 2 . CG C 2.288 17.678 2.381 1.00 . A A . 2 KCY CG 1 1
6 895 1 1 2 . HA H 1.025 16.097 5.119 1.00 . A A . 2 KCY HA 1 1
6 896 1 1 2 . HB H 3.274 16.276 3.636 1.00 . A A . 2 KCY HB 1 1
6 897 1 1 2 . HBA H 1.731 15.725 3.012 1.00 . A A . 2 KCY HBA 1 1
6 898 1 1 2 . HG H 2.896 18.492 2.742 1.00 . A A . 2 KCY HG 1 1
6 899 1 1 2 . HGA H 1.282 18.028 2.212 1.00 . A A . 2 KCY HGA 1 1
6 900 1 1 2 . HN H 2.465 16.866 6.687 1.00 . A A . 2 KCY HN 1 1
6 901 1 1 2 . N N 2.568 17.279 5.804 1.00 . A A . 2 KCY N 1 1
6 902 1 1 2 . O O -0.638 17.850 4.574 1.00 . A A . 2 KCY O 1 1
6 903 1 1 2 . SD S 2.967 17.129 0.782 1.00 . A A . 2 KCY SD 1 1
6 904 1 1 3 GLU C C -0.623 20.291 2.867 1.00 . A A . 3 GLU C 1 1
6 905 1 1 3 GLU CA C 0.181 20.462 4.156 1.00 . A A . 3 GLU CA 1 1
6 906 1 1 3 GLU CB C 0.993 21.760 4.098 1.00 . A A . 3 GLU CB 1 1
6 907 1 1 3 GLU CD C 2.624 23.306 5.262 1.00 . A A . 3 GLU CD 1 1
6 908 1 1 3 GLU CG C 1.808 22.030 5.354 1.00 . A A . 3 GLU CG 1 1
6 909 1 1 3 GLU H H 2.030 19.452 4.362 1.00 . A A . 3 GLU H 1 1
6 910 1 1 3 GLU HA H -0.504 20.513 4.990 1.00 . A A . 3 GLU HA 1 1
6 911 1 1 3 GLU HB2 H 1.672 21.708 3.260 1.00 . A A . 3 GLU HB2 1 1
6 912 1 1 3 GLU HB3 H 0.316 22.587 3.950 1.00 . A A . 3 GLU HB3 1 1
6 913 1 1 3 GLU HG2 H 1.134 22.113 6.193 1.00 . A A . 3 GLU HG2 1 1
6 914 1 1 3 GLU HG3 H 2.481 21.200 5.516 1.00 . A A . 3 GLU HG3 1 1
6 915 1 1 3 GLU N N 1.060 19.316 4.367 1.00 . A A . 3 GLU N 1 1
6 916 1 1 3 GLU O O -0.088 20.440 1.766 1.00 . A A . 3 GLU O 1 1
6 917 1 1 3 GLU OE1 O 2.020 24.392 5.130 1.00 . A A . 3 GLU OE1 1 1
6 918 1 1 3 GLU OE2 O 3.869 23.218 5.319 1.00 . A A . 3 GLU OE2 1 1
6 919 1 1 4 GLY C C -2.913 18.304 1.461 1.00 . A A . 4 GLY C 1 1
6 920 1 1 4 GLY CA C -2.769 19.768 1.857 1.00 . A A . 4 GLY CA 1 1
6 921 1 1 4 GLY H H -2.273 19.850 3.918 1.00 . A A . 4 GLY H 1 1
6 922 1 1 4 GLY HA2 H -3.748 20.163 2.082 1.00 . A A . 4 GLY HA2 1 1
6 923 1 1 4 GLY HA3 H -2.359 20.316 1.021 1.00 . A A . 4 GLY HA3 1 1
6 924 1 1 4 GLY N N -1.909 19.966 3.015 1.00 . A A . 4 GLY N 1 1
6 925 1 1 4 GLY O O -3.833 17.951 0.721 1.00 . A A . 4 GLY O 1 1
6 926 1 1 5 . C C -2.816 15.268 2.750 1.00 . A A . 5 HCS C 1 1
6 927 1 1 5 . CA C -2.055 16.019 1.660 1.00 . A A . 5 HCS CA 1 1
6 928 1 1 5 . CB C -0.635 15.459 1.527 1.00 . A A . 5 HCS CB 1 1
6 929 1 1 5 . CG C 0.163 16.057 0.379 1.00 . A A . 5 HCS CG 1 1
6 930 1 1 5 . H H -1.316 17.784 2.554 1.00 . A A . 5 HCS H 1 1
6 931 1 1 5 . HB2 H -0.100 15.650 2.445 1.00 . A A . 5 HCS HB2 1 1
6 932 1 1 5 . HB3 H -0.697 14.391 1.374 1.00 . A A . 5 HCS HB3 1 1
6 933 1 1 5 . HCA H -2.574 15.891 0.722 1.00 . A A . 5 HCS HCA 1 1
6 934 1 1 5 . HG2 H -0.305 15.785 -0.555 1.00 . A A . 5 HCS HG2 1 1
6 935 1 1 5 . HG3 H 0.175 17.132 0.481 1.00 . A A . 5 HCS HG3 1 1
6 936 1 1 5 . N N -2.014 17.449 1.959 1.00 . A A . 5 HCS N 1 1
6 937 1 1 5 . O O -2.375 14.219 3.227 1.00 . A A . 5 HCS O 1 1
6 938 1 1 5 . SD S 1.887 15.468 0.344 1.00 . A A . 5 HCS SD 1 1
6 939 1 1 6 PHE C C -5.303 13.836 3.754 1.00 . A A . 6 PHE C 1 1
6 940 1 1 6 PHE CA C -4.796 15.220 4.178 1.00 . A A . 6 PHE CA 1 1
6 941 1 1 6 PHE CB C -5.964 16.155 4.514 1.00 . A A . 6 PHE CB 1 1
6 942 1 1 6 PHE CD1 C -7.800 15.375 2.977 1.00 . A A . 6 PHE CD1 1 1
6 943 1 1 6 PHE CD2 C -6.970 17.596 2.716 1.00 . A A . 6 PHE CD2 1 1
6 944 1 1 6 PHE CE1 C -8.685 15.580 1.936 1.00 . A A . 6 PHE CE1 1 1
6 945 1 1 6 PHE CE2 C -7.854 17.806 1.674 1.00 . A A . 6 PHE CE2 1 1
6 946 1 1 6 PHE CG C -6.933 16.379 3.380 1.00 . A A . 6 PHE CG 1 1
6 947 1 1 6 PHE CZ C -8.712 16.797 1.284 1.00 . A A . 6 PHE CZ 1 1
6 948 1 1 6 PHE H H -4.256 16.654 2.724 1.00 . A A . 6 PHE H 1 1
6 949 1 1 6 PHE HA H -4.184 15.102 5.059 1.00 . A A . 6 PHE HA 1 1
6 950 1 1 6 PHE HB2 H -6.512 15.743 5.340 1.00 . A A . 6 PHE HB2 1 1
6 951 1 1 6 PHE HB3 H -5.567 17.117 4.804 1.00 . A A . 6 PHE HB3 1 1
6 952 1 1 6 PHE HD1 H -7.782 14.423 3.486 1.00 . A A . 6 PHE HD1 1 1
6 953 1 1 6 PHE HD2 H -6.299 18.386 3.020 1.00 . A A . 6 PHE HD2 1 1
6 954 1 1 6 PHE HE1 H -9.355 14.790 1.632 1.00 . A A . 6 PHE HE1 1 1
6 955 1 1 6 PHE HE2 H -7.873 18.759 1.166 1.00 . A A . 6 PHE HE2 1 1
6 956 1 1 6 PHE HZ H -9.403 16.960 0.470 1.00 . A A . 6 PHE HZ 1 1
6 957 1 1 6 PHE N N -3.962 15.819 3.143 1.00 . A A . 6 PHE N 1 1
6 958 1 1 6 PHE O O -5.495 12.955 4.595 1.00 . A A . 6 PHE O 1 1
6 959 1 1 7 THR C C -5.046 11.230 2.255 1.00 . A A . 7 THR C 1 1
6 960 1 1 7 THR CA C -5.988 12.386 1.898 1.00 . A A . 7 THR CA 1 1
6 961 1 1 7 THR CB C -6.137 12.461 0.363 1.00 . A A . 7 THR CB 1 1
6 962 1 1 7 THR CG2 C -6.661 11.149 -0.204 1.00 . A A . 7 THR CG2 1 1
6 963 1 1 7 THR H H -5.335 14.398 1.831 1.00 . A A . 7 THR H 1 1
6 964 1 1 7 THR HA H -6.961 12.186 2.323 1.00 . A A . 7 THR HA 1 1
6 965 1 1 7 THR HB H -5.166 12.660 -0.069 1.00 . A A . 7 THR HB 1 1
6 966 1 1 7 THR HG1 H -6.530 14.329 -0.142 1.00 . A A . 7 THR HG1 1 1
6 967 1 1 7 THR HG21 H -7.286 10.662 0.531 1.00 . A A . 7 THR HG21 1 1
6 968 1 1 7 THR HG22 H -5.829 10.506 -0.450 1.00 . A A . 7 THR HG22 1 1
6 969 1 1 7 THR HG23 H -7.239 11.346 -1.094 1.00 . A A . 7 THR HG23 1 1
6 970 1 1 7 THR N N -5.511 13.656 2.446 1.00 . A A . 7 THR N 1 1
6 971 1 1 7 THR O O -5.494 10.099 2.439 1.00 . A A . 7 THR O 1 1
6 972 1 1 7 THR OG1 O -7.032 13.524 0.009 1.00 . A A . 7 THR OG1 1 1
6 973 1 1 8 SER C C -3.150 9.572 3.793 1.00 . A A . 8 SER C 1 1
6 974 1 1 8 SER CA C -2.713 10.532 2.677 1.00 . A A . 8 SER CA 1 1
6 975 1 1 8 SER CB C -1.414 11.234 3.085 1.00 . A A . 8 SER CB 1 1
6 976 1 1 8 SER H H -3.461 12.455 2.184 1.00 . A A . 8 SER H 1 1
6 977 1 1 8 SER HA H -2.524 9.954 1.785 1.00 . A A . 8 SER HA 1 1
6 978 1 1 8 SER HB2 H -1.608 11.882 3.927 1.00 . A A . 8 SER HB2 1 1
6 979 1 1 8 SER HB3 H -0.681 10.494 3.363 1.00 . A A . 8 SER HB3 1 1
6 980 1 1 8 SER HG H -0.093 12.456 2.312 1.00 . A A . 8 SER HG 1 1
6 981 1 1 8 SER N N -3.743 11.530 2.347 1.00 . A A . 8 SER N 1 1
6 982 1 1 8 SER O O -2.724 8.416 3.818 1.00 . A A . 8 SER O 1 1
6 983 1 1 8 SER OG O -0.895 12.014 2.022 1.00 . A A . 8 SER OG 1 1
6 984 1 1 9 ASP C C -5.025 7.884 5.380 1.00 . A A . 9 ASP C 1 1
6 985 1 1 9 ASP CA C -4.491 9.255 5.835 1.00 . A A . 9 ASP CA 1 1
6 986 1 1 9 ASP CB C -5.598 10.023 6.574 1.00 . A A . 9 ASP CB 1 1
6 987 1 1 9 ASP CG C -5.977 9.410 7.918 1.00 . A A . 9 ASP CG 1 1
6 988 1 1 9 ASP H H -4.286 10.992 4.636 1.00 . A A . 9 ASP H 1 1
6 989 1 1 9 ASP HA H -3.667 9.096 6.515 1.00 . A A . 9 ASP HA 1 1
6 990 1 1 9 ASP HB2 H -5.266 11.034 6.750 1.00 . A A . 9 ASP HB2 1 1
6 991 1 1 9 ASP HB3 H -6.481 10.047 5.952 1.00 . A A . 9 ASP HB3 1 1
6 992 1 1 9 ASP N N -3.992 10.060 4.712 1.00 . A A . 9 ASP N 1 1
6 993 1 1 9 ASP O O -5.069 6.942 6.173 1.00 . A A . 9 ASP O 1 1
6 994 1 1 9 ASP OD1 O -5.260 8.504 8.398 1.00 . A A . 9 ASP OD1 1 1
6 995 1 1 9 ASP OD2 O -6.986 9.857 8.503 1.00 . A A . 9 ASP OD2 1 1
6 996 1 1 10 PHE C C -5.038 5.335 3.828 1.00 . A A . 10 PHE C 1 1
6 997 1 1 10 PHE CA C -5.979 6.521 3.575 1.00 . A A . 10 PHE CA 1 1
6 998 1 1 10 PHE CB C -6.285 6.653 2.070 1.00 . A A . 10 PHE CB 1 1
6 999 1 1 10 PHE CD1 C -4.146 5.846 1.007 1.00 . A A . 10 PHE CD1 1 1
6 1000 1 1 10 PHE CD2 C -4.883 8.060 0.524 1.00 . A A . 10 PHE CD2 1 1
6 1001 1 1 10 PHE CE1 C -3.046 6.031 0.192 1.00 . A A . 10 PHE CE1 1 1
6 1002 1 1 10 PHE CE2 C -3.785 8.250 -0.293 1.00 . A A . 10 PHE CE2 1 1
6 1003 1 1 10 PHE CG C -5.077 6.858 1.187 1.00 . A A . 10 PHE CG 1 1
6 1004 1 1 10 PHE CZ C -2.866 7.235 -0.459 1.00 . A A . 10 PHE CZ 1 1
6 1005 1 1 10 PHE H H -5.392 8.559 3.523 1.00 . A A . 10 PHE H 1 1
6 1006 1 1 10 PHE HA H -6.906 6.328 4.094 1.00 . A A . 10 PHE HA 1 1
6 1007 1 1 10 PHE HB2 H -6.783 5.757 1.736 1.00 . A A . 10 PHE HB2 1 1
6 1008 1 1 10 PHE HB3 H -6.947 7.496 1.924 1.00 . A A . 10 PHE HB3 1 1
6 1009 1 1 10 PHE HD1 H -4.285 4.902 1.514 1.00 . A A . 10 PHE HD1 1 1
6 1010 1 1 10 PHE HD2 H -5.600 8.856 0.652 1.00 . A A . 10 PHE HD2 1 1
6 1011 1 1 10 PHE HE1 H -2.328 5.234 0.064 1.00 . A A . 10 PHE HE1 1 1
6 1012 1 1 10 PHE HE2 H -3.648 9.192 -0.804 1.00 . A A . 10 PHE HE2 1 1
6 1013 1 1 10 PHE HZ H -2.006 7.381 -1.097 1.00 . A A . 10 PHE HZ 1 1
6 1014 1 1 10 PHE N N -5.439 7.776 4.110 1.00 . A A . 10 PHE N 1 1
6 1015 1 1 10 PHE O O -5.499 4.206 4.006 1.00 . A A . 10 PHE O 1 1
6 1016 1 1 11 . C C -2.932 3.883 5.447 1.00 . A A . 11 PH8 C 1 1
6 1017 1 1 11 . CA C -2.736 4.536 4.078 1.00 . A A . 11 PH8 CA 1 1
6 1018 1 1 11 . CB C -1.311 5.089 3.969 1.00 . A A . 11 PH8 CB 1 1
6 1019 1 1 11 . CD1 C 1.771 6.496 4.590 1.00 . A A . 11 PH8 CD1 1 1
6 1020 1 1 11 . CD2 C 0.631 8.315 3.552 1.00 . A A . 11 PH8 CD2 1 1
6 1021 1 1 11 . CE1 C 2.223 7.342 5.585 1.00 . A A . 11 PH8 CE1 1 1
6 1022 1 1 11 . CE2 C 1.080 9.166 4.545 1.00 . A A . 11 PH8 CE2 1 1
6 1023 1 1 11 . CG C 0.971 6.972 3.563 1.00 . A A . 11 PH8 CG 1 1
6 1024 1 1 11 . CI C -0.983 5.662 2.599 1.00 . A A . 11 PH8 CI 1 1
6 1025 1 1 11 . CJ C 0.485 6.050 2.480 1.00 . A A . 11 PH8 CJ 1 1
6 1026 1 1 11 . CZ C 1.876 8.679 5.562 1.00 . A A . 11 PH8 CZ 1 1
6 1027 1 1 11 . HA H -2.876 3.784 3.316 1.00 . A A . 11 PH8 HA 1 1
6 1028 1 1 11 . HB H -1.184 5.871 4.703 1.00 . A A . 11 PH8 HB 1 1
6 1029 1 1 11 . HBA H -0.612 4.292 4.179 1.00 . A A . 11 PH8 HBA 1 1
6 1030 1 1 11 . HD1 H 2.043 5.451 4.609 1.00 . A A . 11 PH8 HD1 1 1
6 1031 1 1 11 . HD2 H 0.008 8.697 2.757 1.00 . A A . 11 PH8 HD2 1 1
6 1032 1 1 11 . HE1 H 2.845 6.959 6.380 1.00 . A A . 11 PH8 HE1 1 1
6 1033 1 1 11 . HE2 H 0.808 10.211 4.524 1.00 . A A . 11 PH8 HE2 1 1
6 1034 1 1 11 . HI H -1.209 4.919 1.849 1.00 . A A . 11 PH8 HI 1 1
6 1035 1 1 11 . HIA H -1.590 6.539 2.434 1.00 . A A . 11 PH8 HIA 1 1
6 1036 1 1 11 . HJ H 0.632 6.544 1.531 1.00 . A A . 11 PH8 HJ 1 1
6 1037 1 1 11 . HJA H 1.083 5.152 2.511 1.00 . A A . 11 PH8 HJA 1 1
6 1038 1 1 11 . HN H -3.416 6.510 3.696 1.00 . A A . 11 PH8 HN 1 1
6 1039 1 1 11 . HZ H 2.228 9.342 6.338 1.00 . A A . 11 PH8 HZ 1 1
6 1040 1 1 11 . N N -3.725 5.592 3.844 1.00 . A A . 11 PH8 N 1 1
6 1041 1 1 11 . O O -2.909 2.658 5.568 1.00 . A A . 11 PH8 O 1 1
6 1042 1 1 12 NH2 HN1 H -3.130 5.665 6.315 1.00 . A A . 12 NH2 HN1 1 1
6 1043 1 1 12 NH2 HN2 H -3.246 4.299 7.365 1.00 . A A . 12 NH2 HN2 1 1
6 1044 1 1 12 NH2 N N -3.122 4.698 6.480 1.00 . A A . 12 NH2 N 1 1
7 1045 1 1 1 HIS C C 4.213 21.073 4.498 1.00 . A A . 1 HIS C 1 1
7 1046 1 1 1 HIS CA C 5.057 22.187 5.131 1.00 . A A . 1 HIS CA 1 1
7 1047 1 1 1 HIS CB C 6.538 22.009 4.775 1.00 . A A . 1 HIS CB 1 1
7 1048 1 1 1 HIS CD2 C 7.370 21.141 2.474 1.00 . A A . 1 HIS CD2 1 1
7 1049 1 1 1 HIS CE1 C 6.831 22.885 1.258 1.00 . A A . 1 HIS CE1 1 1
7 1050 1 1 1 HIS CG C 6.806 22.054 3.300 1.00 . A A . 1 HIS CG 1 1
7 1051 1 1 1 HIS H1 H 5.248 23.134 6.984 1.00 . A A . 1 HIS H1 1 1
7 1052 1 1 1 HIS H2 H 5.492 21.461 7.045 1.00 . A A . 1 HIS H2 1 1
7 1053 1 1 1 HIS H3 H 3.926 22.082 6.887 1.00 . A A . 1 HIS H3 1 1
7 1054 1 1 1 HIS HA H 4.717 23.137 4.746 1.00 . A A . 1 HIS HA 1 1
7 1055 1 1 1 HIS HB2 H 7.110 22.799 5.242 1.00 . A A . 1 HIS HB2 1 1
7 1056 1 1 1 HIS HB3 H 6.881 21.056 5.147 1.00 . A A . 1 HIS HB3 1 1
7 1057 1 1 1 HIS HD1 H 6.055 23.964 2.814 1.00 . A A . 1 HIS HD1 1 1
7 1058 1 1 1 HIS HD2 H 7.748 20.169 2.757 1.00 . A A . 1 HIS HD2 1 1
7 1059 1 1 1 HIS HE1 H 6.697 23.550 0.417 1.00 . A A . 1 HIS HE1 1 1
7 1060 1 1 1 HIS HE2 H 7.776 21.272 0.418 1.00 . A A . 1 HIS HE2 1 1
7 1061 1 1 1 HIS N N 4.921 22.217 6.615 1.00 . A A . 1 HIS N 1 1
7 1062 1 1 1 HIS ND1 N 6.481 23.136 2.507 1.00 . A A . 1 HIS ND1 1 1
7 1063 1 1 1 HIS NE2 N 7.373 21.682 1.212 1.00 . A A . 1 HIS NE2 1 1
7 1064 1 1 1 HIS O O 3.684 21.244 3.396 1.00 . A A . 1 HIS O 1 1
7 1065 1 1 2 . C C 1.843 19.187 4.426 1.00 . A A . 2 KCY C 1 1
7 1066 1 1 2 . CA C 3.304 18.795 4.715 1.00 . A A . 2 KCY CA 1 1
7 1067 1 1 2 . CB C 3.986 18.202 3.470 1.00 . A A . 2 KCY CB 1 1
7 1068 1 1 2 . CG C 3.303 16.970 2.887 1.00 . A A . 2 KCY CG 1 1
7 1069 1 1 2 . HA H 3.301 18.049 5.493 1.00 . A A . 2 KCY HA 1 1
7 1070 1 1 2 . HB H 4.014 18.959 2.700 1.00 . A A . 2 KCY HB 1 1
7 1071 1 1 2 . HBA H 4.998 17.933 3.728 1.00 . A A . 2 KCY HBA 1 1
7 1072 1 1 2 . HG H 3.987 16.490 2.200 1.00 . A A . 2 KCY HG 1 1
7 1073 1 1 2 . HGA H 2.417 17.277 2.355 1.00 . A A . 2 KCY HGA 1 1
7 1074 1 1 2 . HN H 4.532 19.868 6.069 1.00 . A A . 2 KCY HN 1 1
7 1075 1 1 2 . N N 4.087 19.939 5.200 1.00 . A A . 2 KCY N 1 1
7 1076 1 1 2 . O O 1.127 18.467 3.722 1.00 . A A . 2 KCY O 1 1
7 1077 1 1 2 . SD S 2.812 15.744 4.146 1.00 . A A . 2 KCY SD 1 1
7 1078 1 1 3 GLU C C -0.462 20.622 3.417 1.00 . A A . 3 GLU C 1 1
7 1079 1 1 3 GLU CA C 0.032 20.809 4.846 1.00 . A A . 3 GLU CA 1 1
7 1080 1 1 3 GLU CB C -0.054 22.288 5.241 1.00 . A A . 3 GLU CB 1 1
7 1081 1 1 3 GLU CD C 0.255 24.033 7.047 1.00 . A A . 3 GLU CD 1 1
7 1082 1 1 3 GLU CG C 0.295 22.556 6.697 1.00 . A A . 3 GLU CG 1 1
7 1083 1 1 3 GLU H H 2.018 20.826 5.573 1.00 . A A . 3 GLU H 1 1
7 1084 1 1 3 GLU HA H -0.603 20.236 5.507 1.00 . A A . 3 GLU HA 1 1
7 1085 1 1 3 GLU HB2 H 0.627 22.853 4.622 1.00 . A A . 3 GLU HB2 1 1
7 1086 1 1 3 GLU HB3 H -1.060 22.639 5.064 1.00 . A A . 3 GLU HB3 1 1
7 1087 1 1 3 GLU HG2 H -0.413 22.034 7.324 1.00 . A A . 3 GLU HG2 1 1
7 1088 1 1 3 GLU HG3 H 1.290 22.182 6.890 1.00 . A A . 3 GLU HG3 1 1
7 1089 1 1 3 GLU N N 1.404 20.317 5.007 1.00 . A A . 3 GLU N 1 1
7 1090 1 1 3 GLU O O -0.080 21.365 2.507 1.00 . A A . 3 GLU O 1 1
7 1091 1 1 3 GLU OE1 O 1.014 24.812 6.430 1.00 . A A . 3 GLU OE1 1 1
7 1092 1 1 3 GLU OE2 O -0.534 24.411 7.939 1.00 . A A . 3 GLU OE2 1 1
7 1093 1 1 4 GLY C C -2.259 17.848 1.786 1.00 . A A . 4 GLY C 1 1
7 1094 1 1 4 GLY CA C -1.839 19.302 1.922 1.00 . A A . 4 GLY CA 1 1
7 1095 1 1 4 GLY H H -1.547 19.050 4.005 1.00 . A A . 4 GLY H 1 1
7 1096 1 1 4 GLY HA2 H -2.698 19.929 1.743 1.00 . A A . 4 GLY HA2 1 1
7 1097 1 1 4 GLY HA3 H -1.087 19.520 1.179 1.00 . A A . 4 GLY HA3 1 1
7 1098 1 1 4 GLY N N -1.301 19.608 3.235 1.00 . A A . 4 GLY N 1 1
7 1099 1 1 4 GLY O O -3.173 17.535 1.022 1.00 . A A . 4 GLY O 1 1
7 1100 1 1 5 . C C -3.157 15.190 3.241 1.00 . A A . 5 HCS C 1 1
7 1101 1 1 5 . CA C -1.867 15.524 2.480 1.00 . A A . 5 HCS CA 1 1
7 1102 1 1 5 . CB C -0.682 14.739 3.054 1.00 . A A . 5 HCS CB 1 1
7 1103 1 1 5 . CG C 0.594 14.898 2.240 1.00 . A A . 5 HCS CG 1 1
7 1104 1 1 5 . H H -0.860 17.278 3.100 1.00 . A A . 5 HCS H 1 1
7 1105 1 1 5 . HB2 H -0.488 15.081 4.060 1.00 . A A . 5 HCS HB2 1 1
7 1106 1 1 5 . HB3 H -0.938 13.691 3.080 1.00 . A A . 5 HCS HB3 1 1
7 1107 1 1 5 . HCA H -2.000 15.246 1.444 1.00 . A A . 5 HCS HCA 1 1
7 1108 1 1 5 . HG2 H 0.467 14.394 1.293 1.00 . A A . 5 HCS HG2 1 1
7 1109 1 1 5 . HG3 H 0.771 15.950 2.067 1.00 . A A . 5 HCS HG3 1 1
7 1110 1 1 5 . N N -1.580 16.960 2.520 1.00 . A A . 5 HCS N 1 1
7 1111 1 1 5 . O O -3.140 14.444 4.223 1.00 . A A . 5 HCS O 1 1
7 1112 1 1 5 . SD S 2.069 14.197 3.055 1.00 . A A . 5 HCS SD 1 1
7 1113 1 1 6 PHE C C -5.917 14.031 3.446 1.00 . A A . 6 PHE C 1 1
7 1114 1 1 6 PHE CA C -5.579 15.520 3.393 1.00 . A A . 6 PHE CA 1 1
7 1115 1 1 6 PHE CB C -6.662 16.261 2.612 1.00 . A A . 6 PHE CB 1 1
7 1116 1 1 6 PHE CD1 C -8.482 16.884 4.224 1.00 . A A . 6 PHE CD1 1 1
7 1117 1 1 6 PHE CD2 C -8.891 15.101 2.693 1.00 . A A . 6 PHE CD2 1 1
7 1118 1 1 6 PHE CE1 C -9.744 16.717 4.759 1.00 . A A . 6 PHE CE1 1 1
7 1119 1 1 6 PHE CE2 C -10.155 14.930 3.224 1.00 . A A . 6 PHE CE2 1 1
7 1120 1 1 6 PHE CG C -8.042 16.081 3.184 1.00 . A A . 6 PHE CG 1 1
7 1121 1 1 6 PHE CZ C -10.582 15.739 4.259 1.00 . A A . 6 PHE CZ 1 1
7 1122 1 1 6 PHE H H -4.223 16.328 1.984 1.00 . A A . 6 PHE H 1 1
7 1123 1 1 6 PHE HA H -5.543 15.908 4.398 1.00 . A A . 6 PHE HA 1 1
7 1124 1 1 6 PHE HB2 H -6.437 17.317 2.614 1.00 . A A . 6 PHE HB2 1 1
7 1125 1 1 6 PHE HB3 H -6.667 15.902 1.595 1.00 . A A . 6 PHE HB3 1 1
7 1126 1 1 6 PHE HD1 H -7.828 17.651 4.613 1.00 . A A . 6 PHE HD1 1 1
7 1127 1 1 6 PHE HD2 H -8.557 14.467 1.884 1.00 . A A . 6 PHE HD2 1 1
7 1128 1 1 6 PHE HE1 H -10.075 17.350 5.569 1.00 . A A . 6 PHE HE1 1 1
7 1129 1 1 6 PHE HE2 H -10.807 14.163 2.832 1.00 . A A . 6 PHE HE2 1 1
7 1130 1 1 6 PHE HZ H -11.569 15.607 4.677 1.00 . A A . 6 PHE HZ 1 1
7 1131 1 1 6 PHE N N -4.276 15.748 2.772 1.00 . A A . 6 PHE N 1 1
7 1132 1 1 6 PHE O O -6.264 13.504 4.505 1.00 . A A . 6 PHE O 1 1
7 1133 1 1 7 THR C C -4.868 11.087 2.560 1.00 . A A . 7 THR C 1 1
7 1134 1 1 7 THR CA C -6.100 11.931 2.218 1.00 . A A . 7 THR CA 1 1
7 1135 1 1 7 THR CB C -6.607 11.538 0.813 1.00 . A A . 7 THR CB 1 1
7 1136 1 1 7 THR CG2 C -7.958 12.177 0.523 1.00 . A A . 7 THR CG2 1 1
7 1137 1 1 7 THR H H -5.528 13.835 1.490 1.00 . A A . 7 THR H 1 1
7 1138 1 1 7 THR HA H -6.881 11.708 2.931 1.00 . A A . 7 THR HA 1 1
7 1139 1 1 7 THR HB H -6.719 10.464 0.776 1.00 . A A . 7 THR HB 1 1
7 1140 1 1 7 THR HG1 H -5.989 11.726 -1.055 1.00 . A A . 7 THR HG1 1 1
7 1141 1 1 7 THR HG21 H -8.707 11.750 1.174 1.00 . A A . 7 THR HG21 1 1
7 1142 1 1 7 THR HG22 H -8.228 11.995 -0.507 1.00 . A A . 7 THR HG22 1 1
7 1143 1 1 7 THR HG23 H -7.895 13.240 0.695 1.00 . A A . 7 THR HG23 1 1
7 1144 1 1 7 THR N N -5.811 13.359 2.299 1.00 . A A . 7 THR N 1 1
7 1145 1 1 7 THR O O -4.642 10.040 1.956 1.00 . A A . 7 THR O 1 1
7 1146 1 1 7 THR OG1 O -5.655 11.941 -0.182 1.00 . A A . 7 THR OG1 1 1
7 1147 1 1 8 SER C C -3.259 9.432 4.506 1.00 . A A . 8 SER C 1 1
7 1148 1 1 8 SER CA C -2.878 10.800 3.943 1.00 . A A . 8 SER CA 1 1
7 1149 1 1 8 SER CB C -2.078 11.592 4.980 1.00 . A A . 8 SER CB 1 1
7 1150 1 1 8 SER H H -4.293 12.375 3.994 1.00 . A A . 8 SER H 1 1
7 1151 1 1 8 SER HA H -2.267 10.655 3.065 1.00 . A A . 8 SER HA 1 1
7 1152 1 1 8 SER HB2 H -1.894 12.589 4.607 1.00 . A A . 8 SER HB2 1 1
7 1153 1 1 8 SER HB3 H -2.640 11.650 5.900 1.00 . A A . 8 SER HB3 1 1
7 1154 1 1 8 SER HG H -0.873 10.517 6.091 1.00 . A A . 8 SER HG 1 1
7 1155 1 1 8 SER N N -4.073 11.538 3.536 1.00 . A A . 8 SER N 1 1
7 1156 1 1 8 SER O O -2.603 8.429 4.218 1.00 . A A . 8 SER O 1 1
7 1157 1 1 8 SER OG O -0.832 10.970 5.247 1.00 . A A . 8 SER OG 1 1
7 1158 1 1 9 ASP C C -5.805 7.429 4.980 1.00 . A A . 9 ASP C 1 1
7 1159 1 1 9 ASP CA C -4.802 8.140 5.894 1.00 . A A . 9 ASP CA 1 1
7 1160 1 1 9 ASP CB C -5.433 8.390 7.271 1.00 . A A . 9 ASP CB 1 1
7 1161 1 1 9 ASP CG C -4.427 8.830 8.326 1.00 . A A . 9 ASP CG 1 1
7 1162 1 1 9 ASP H H -4.819 10.223 5.490 1.00 . A A . 9 ASP H 1 1
7 1163 1 1 9 ASP HA H -3.943 7.497 6.018 1.00 . A A . 9 ASP HA 1 1
7 1164 1 1 9 ASP HB2 H -6.182 9.161 7.177 1.00 . A A . 9 ASP HB2 1 1
7 1165 1 1 9 ASP HB3 H -5.905 7.478 7.609 1.00 . A A . 9 ASP HB3 1 1
7 1166 1 1 9 ASP N N -4.331 9.393 5.303 1.00 . A A . 9 ASP N 1 1
7 1167 1 1 9 ASP O O -6.683 6.707 5.458 1.00 . A A . 9 ASP O 1 1
7 1168 1 1 9 ASP OD1 O -3.227 8.965 8.001 1.00 . A A . 9 ASP OD1 1 1
7 1169 1 1 9 ASP OD2 O -4.845 9.040 9.484 1.00 . A A . 9 ASP OD2 1 1
7 1170 1 1 10 PHE C C -6.308 5.459 2.709 1.00 . A A . 10 PHE C 1 1
7 1171 1 1 10 PHE CA C -6.551 6.968 2.704 1.00 . A A . 10 PHE CA 1 1
7 1172 1 1 10 PHE CB C -6.340 7.542 1.296 1.00 . A A . 10 PHE CB 1 1
7 1173 1 1 10 PHE CD1 C -3.858 7.413 0.862 1.00 . A A . 10 PHE CD1 1 1
7 1174 1 1 10 PHE CD2 C -5.315 6.015 -0.408 1.00 . A A . 10 PHE CD2 1 1
7 1175 1 1 10 PHE CE1 C -2.768 6.888 0.192 1.00 . A A . 10 PHE CE1 1 1
7 1176 1 1 10 PHE CE2 C -4.230 5.488 -1.080 1.00 . A A . 10 PHE CE2 1 1
7 1177 1 1 10 PHE CG C -5.145 6.983 0.567 1.00 . A A . 10 PHE CG 1 1
7 1178 1 1 10 PHE CZ C -2.955 5.925 -0.780 1.00 . A A . 10 PHE CZ 1 1
7 1179 1 1 10 PHE H H -4.940 8.187 3.335 1.00 . A A . 10 PHE H 1 1
7 1180 1 1 10 PHE HA H -7.569 7.156 3.015 1.00 . A A . 10 PHE HA 1 1
7 1181 1 1 10 PHE HB2 H -7.215 7.333 0.700 1.00 . A A . 10 PHE HB2 1 1
7 1182 1 1 10 PHE HB3 H -6.215 8.612 1.370 1.00 . A A . 10 PHE HB3 1 1
7 1183 1 1 10 PHE HD1 H -3.710 8.163 1.622 1.00 . A A . 10 PHE HD1 1 1
7 1184 1 1 10 PHE HD2 H -6.312 5.674 -0.646 1.00 . A A . 10 PHE HD2 1 1
7 1185 1 1 10 PHE HE1 H -1.773 7.231 0.429 1.00 . A A . 10 PHE HE1 1 1
7 1186 1 1 10 PHE HE2 H -4.379 4.734 -1.839 1.00 . A A . 10 PHE HE2 1 1
7 1187 1 1 10 PHE HZ H -2.106 5.514 -1.304 1.00 . A A . 10 PHE HZ 1 1
7 1188 1 1 10 PHE N N -5.663 7.616 3.666 1.00 . A A . 10 PHE N 1 1
7 1189 1 1 10 PHE O O -7.244 4.666 2.603 1.00 . A A . 10 PHE O 1 1
7 1190 1 1 11 . C C -4.753 3.072 4.285 1.00 . A A . 11 PH8 C 1 1
7 1191 1 1 11 . CA C -4.644 3.672 2.873 1.00 . A A . 11 PH8 CA 1 1
7 1192 1 1 11 . CB C -3.215 3.507 2.323 1.00 . A A . 11 PH8 CB 1 1
7 1193 1 1 11 . CD1 C 0.436 4.561 4.636 1.00 . A A . 11 PH8 CD1 1 1
7 1194 1 1 11 . CD2 C -0.917 6.181 5.749 1.00 . A A . 11 PH8 CD2 1 1
7 1195 1 1 11 . CE1 C 1.574 5.168 5.131 1.00 . A A . 11 PH8 CE1 1 1
7 1196 1 1 11 . CE2 C 0.218 6.791 6.248 1.00 . A A . 11 PH8 CE2 1 1
7 1197 1 1 11 . CG C -0.822 5.060 4.938 1.00 . A A . 11 PH8 CG 1 1
7 1198 1 1 11 . CI C -2.193 4.499 2.879 1.00 . A A . 11 PH8 CI 1 1
7 1199 1 1 11 . CJ C -2.059 4.400 4.393 1.00 . A A . 11 PH8 CJ 1 1
7 1200 1 1 11 . CZ C 1.466 6.285 5.938 1.00 . A A . 11 PH8 CZ 1 1
7 1201 1 1 11 . HA H -5.321 3.136 2.226 1.00 . A A . 11 PH8 HA 1 1
7 1202 1 1 11 . HB H -2.870 2.510 2.552 1.00 . A A . 11 PH8 HB 1 1
7 1203 1 1 11 . HBA H -3.245 3.624 1.250 1.00 . A A . 11 PH8 HBA 1 1
7 1204 1 1 11 . HD1 H 0.523 3.689 4.006 1.00 . A A . 11 PH8 HD1 1 1
7 1205 1 1 11 . HD2 H -1.892 6.578 5.992 1.00 . A A . 11 PH8 HD2 1 1
7 1206 1 1 11 . HE1 H 2.549 4.769 4.890 1.00 . A A . 11 PH8 HE1 1 1
7 1207 1 1 11 . HE2 H 0.131 7.663 6.879 1.00 . A A . 11 PH8 HE2 1 1
7 1208 1 1 11 . HI H -1.232 4.293 2.432 1.00 . A A . 11 PH8 HI 1 1
7 1209 1 1 11 . HIA H -2.500 5.502 2.619 1.00 . A A . 11 PH8 HIA 1 1
7 1210 1 1 11 . HJ H -2.033 3.357 4.670 1.00 . A A . 11 PH8 HJ 1 1
7 1211 1 1 11 . HJA H -2.919 4.870 4.848 1.00 . A A . 11 PH8 HJA 1 1
7 1212 1 1 11 . HN H -4.343 5.763 2.928 1.00 . A A . 11 PH8 HN 1 1
7 1213 1 1 11 . HZ H 2.354 6.761 6.325 1.00 . A A . 11 PH8 HZ 1 1
7 1214 1 1 11 . N N -5.036 5.077 2.841 1.00 . A A . 11 PH8 N 1 1
7 1215 1 1 11 . O O -4.181 2.018 4.564 1.00 . A A . 11 PH8 O 1 1
7 1216 1 1 12 NH2 HN1 H -5.936 4.562 4.912 1.00 . A A . 12 NH2 HN1 1 1
7 1217 1 1 12 NH2 HN2 H -5.588 3.337 6.078 1.00 . A A . 12 NH2 HN2 1 1
7 1218 1 1 12 NH2 N N -5.501 3.726 5.181 1.00 . A A . 12 NH2 N 1 1
8 1219 1 1 1 HIS C C 3.891 21.206 4.461 1.00 . A A . 1 HIS C 1 1
8 1220 1 1 1 HIS CA C 4.745 22.468 4.630 1.00 . A A . 1 HIS CA 1 1
8 1221 1 1 1 HIS CB C 5.297 22.929 3.273 1.00 . A A . 1 HIS CB 1 1
8 1222 1 1 1 HIS CD2 C 5.209 25.385 2.442 1.00 . A A . 1 HIS CD2 1 1
8 1223 1 1 1 HIS CE1 C 3.050 25.532 2.092 1.00 . A A . 1 HIS CE1 1 1
8 1224 1 1 1 HIS CG C 4.663 24.188 2.763 1.00 . A A . 1 HIS CG 1 1
8 1225 1 1 1 HIS H1 H 6.382 21.343 5.282 1.00 . A A . 1 HIS H1 1 1
8 1226 1 1 1 HIS H2 H 5.555 22.134 6.528 1.00 . A A . 1 HIS H2 1 1
8 1227 1 1 1 HIS H3 H 6.567 23.012 5.498 1.00 . A A . 1 HIS H3 1 1
8 1228 1 1 1 HIS HA H 4.135 23.253 5.051 1.00 . A A . 1 HIS HA 1 1
8 1229 1 1 1 HIS HB2 H 6.358 23.106 3.363 1.00 . A A . 1 HIS HB2 1 1
8 1230 1 1 1 HIS HB3 H 5.129 22.153 2.539 1.00 . A A . 1 HIS HB3 1 1
8 1231 1 1 1 HIS HD1 H 2.636 23.613 2.670 1.00 . A A . 1 HIS HD1 1 1
8 1232 1 1 1 HIS HD2 H 6.256 25.649 2.502 1.00 . A A . 1 HIS HD2 1 1
8 1233 1 1 1 HIS HE1 H 2.075 25.917 1.831 1.00 . A A . 1 HIS HE1 1 1
8 1234 1 1 1 HIS HE2 H 4.268 27.156 1.821 1.00 . A A . 1 HIS HE2 1 1
8 1235 1 1 1 HIS N N 5.892 22.222 5.548 1.00 . A A . 1 HIS N 1 1
8 1236 1 1 1 HIS ND1 N 3.308 24.313 2.532 1.00 . A A . 1 HIS ND1 1 1
8 1237 1 1 1 HIS NE2 N 4.186 26.202 2.029 1.00 . A A . 1 HIS NE2 1 1
8 1238 1 1 1 HIS O O 3.579 20.799 3.339 1.00 . A A . 1 HIS O 1 1
8 1239 1 1 2 . C C 1.343 19.594 4.902 1.00 . A A . 2 KCY C 1 1
8 1240 1 1 2 . CA C 2.703 19.367 5.583 1.00 . A A . 2 KCY CA 1 1
8 1241 1 1 2 . CB C 3.467 18.244 4.863 1.00 . A A . 2 KCY CB 1 1
8 1242 1 1 2 . CG C 2.841 16.863 4.998 1.00 . A A . 2 KCY CG 1 1
8 1243 1 1 2 . HA H 2.533 19.074 6.607 1.00 . A A . 2 KCY HA 1 1
8 1244 1 1 2 . HB H 3.522 18.483 3.813 1.00 . A A . 2 KCY HB 1 1
8 1245 1 1 2 . HBA H 4.469 18.200 5.263 1.00 . A A . 2 KCY HBA 1 1
8 1246 1 1 2 . HG H 1.773 16.941 4.876 1.00 . A A . 2 KCY HG 1 1
8 1247 1 1 2 . HGA H 3.066 16.470 5.979 1.00 . A A . 2 KCY HGA 1 1
8 1248 1 1 2 . HN H 3.800 20.961 6.451 1.00 . A A . 2 KCY HN 1 1
8 1249 1 1 2 . N N 3.518 20.588 5.590 1.00 . A A . 2 KCY N 1 1
8 1250 1 1 2 . O O 0.672 18.636 4.517 1.00 . A A . 2 KCY O 1 1
8 1251 1 1 2 . SD S 3.473 15.689 3.758 1.00 . A A . 2 KCY SD 1 1
8 1252 1 1 3 GLU C C -0.419 20.558 2.731 1.00 . A A . 3 GLU C 1 1
8 1253 1 1 3 GLU CA C -0.334 21.194 4.117 1.00 . A A . 3 GLU CA 1 1
8 1254 1 1 3 GLU CB C -0.499 22.714 4.011 1.00 . A A . 3 GLU CB 1 1
8 1255 1 1 3 GLU CD C -0.506 24.946 5.245 1.00 . A A . 3 GLU CD 1 1
8 1256 1 1 3 GLU CG C -0.471 23.428 5.359 1.00 . A A . 3 GLU CG 1 1
8 1257 1 1 3 GLU H H 1.510 21.588 5.081 1.00 . A A . 3 GLU H 1 1
8 1258 1 1 3 GLU HA H -1.126 20.790 4.729 1.00 . A A . 3 GLU HA 1 1
8 1259 1 1 3 GLU HB2 H 0.300 23.108 3.400 1.00 . A A . 3 GLU HB2 1 1
8 1260 1 1 3 GLU HB3 H -1.444 22.928 3.534 1.00 . A A . 3 GLU HB3 1 1
8 1261 1 1 3 GLU HG2 H -1.328 23.111 5.932 1.00 . A A . 3 GLU HG2 1 1
8 1262 1 1 3 GLU HG3 H 0.432 23.143 5.880 1.00 . A A . 3 GLU HG3 1 1
8 1263 1 1 3 GLU N N 0.940 20.862 4.756 1.00 . A A . 3 GLU N 1 1
8 1264 1 1 3 GLU O O 0.088 21.104 1.748 1.00 . A A . 3 GLU O 1 1
8 1265 1 1 3 GLU OE1 O -0.550 25.470 4.109 1.00 . A A . 3 GLU OE1 1 1
8 1266 1 1 3 GLU OE2 O -0.483 25.614 6.299 1.00 . A A . 3 GLU OE2 1 1
8 1267 1 1 4 GLY C C -1.582 17.219 1.613 1.00 . A A . 4 GLY C 1 1
8 1268 1 1 4 GLY CA C -1.188 18.673 1.418 1.00 . A A . 4 GLY CA 1 1
8 1269 1 1 4 GLY H H -1.421 19.002 3.496 1.00 . A A . 4 GLY H 1 1
8 1270 1 1 4 GLY HA2 H -1.940 19.162 0.816 1.00 . A A . 4 GLY HA2 1 1
8 1271 1 1 4 GLY HA3 H -0.245 18.710 0.892 1.00 . A A . 4 GLY HA3 1 1
8 1272 1 1 4 GLY N N -1.053 19.389 2.672 1.00 . A A . 4 GLY N 1 1
8 1273 1 1 4 GLY O O -2.424 16.699 0.878 1.00 . A A . 4 GLY O 1 1
8 1274 1 1 5 . C C -2.455 14.984 3.844 1.00 . A A . 5 HCS C 1 1
8 1275 1 1 5 . CA C -1.264 15.148 2.890 1.00 . A A . 5 HCS CA 1 1
8 1276 1 1 5 . CB C -0.033 14.432 3.469 1.00 . A A . 5 HCS CB 1 1
8 1277 1 1 5 . CG C 1.120 14.268 2.488 1.00 . A A . 5 HCS CG 1 1
8 1278 1 1 5 . H H -0.311 17.033 3.160 1.00 . A A . 5 HCS H 1 1
8 1279 1 1 5 . HB2 H 0.328 14.992 4.319 1.00 . A A . 5 HCS HB2 1 1
8 1280 1 1 5 . HB3 H -0.332 13.449 3.802 1.00 . A A . 5 HCS HB3 1 1
8 1281 1 1 5 . HCA H -1.522 14.680 1.953 1.00 . A A . 5 HCS HCA 1 1
8 1282 1 1 5 . HG2 H 1.782 13.496 2.852 1.00 . A A . 5 HCS HG2 1 1
8 1283 1 1 5 . HG3 H 0.722 13.978 1.526 1.00 . A A . 5 HCS HG3 1 1
8 1284 1 1 5 . N N -0.971 16.558 2.606 1.00 . A A . 5 HCS N 1 1
8 1285 1 1 5 . O O -2.419 14.161 4.761 1.00 . A A . 5 HCS O 1 1
8 1286 1 1 5 . SD S 2.100 15.787 2.263 1.00 . A A . 5 HCS SD 1 1
8 1287 1 1 6 PHE C C -5.311 14.250 4.384 1.00 . A A . 6 PHE C 1 1
8 1288 1 1 6 PHE CA C -4.715 15.659 4.454 1.00 . A A . 6 PHE CA 1 1
8 1289 1 1 6 PHE CB C -5.750 16.707 4.026 1.00 . A A . 6 PHE CB 1 1
8 1290 1 1 6 PHE CD1 C -6.894 16.450 6.258 1.00 . A A . 6 PHE CD1 1 1
8 1291 1 1 6 PHE CD2 C -8.189 17.181 4.393 1.00 . A A . 6 PHE CD2 1 1
8 1292 1 1 6 PHE CE1 C -8.013 16.520 7.065 1.00 . A A . 6 PHE CE1 1 1
8 1293 1 1 6 PHE CE2 C -9.310 17.255 5.196 1.00 . A A . 6 PHE CE2 1 1
8 1294 1 1 6 PHE CG C -6.969 16.778 4.912 1.00 . A A . 6 PHE CG 1 1
8 1295 1 1 6 PHE CZ C -9.222 16.924 6.535 1.00 . A A . 6 PHE CZ 1 1
8 1296 1 1 6 PHE H H -3.511 16.375 2.863 1.00 . A A . 6 PHE H 1 1
8 1297 1 1 6 PHE HA H -4.417 15.858 5.473 1.00 . A A . 6 PHE HA 1 1
8 1298 1 1 6 PHE HB2 H -5.286 17.681 4.030 1.00 . A A . 6 PHE HB2 1 1
8 1299 1 1 6 PHE HB3 H -6.082 16.479 3.024 1.00 . A A . 6 PHE HB3 1 1
8 1300 1 1 6 PHE HD1 H -5.950 16.133 6.675 1.00 . A A . 6 PHE HD1 1 1
8 1301 1 1 6 PHE HD2 H -8.260 17.438 3.346 1.00 . A A . 6 PHE HD2 1 1
8 1302 1 1 6 PHE HE1 H -7.942 16.262 8.112 1.00 . A A . 6 PHE HE1 1 1
8 1303 1 1 6 PHE HE2 H -10.255 17.572 4.779 1.00 . A A . 6 PHE HE2 1 1
8 1304 1 1 6 PHE HZ H -10.098 16.982 7.165 1.00 . A A . 6 PHE HZ 1 1
8 1305 1 1 6 PHE N N -3.521 15.750 3.616 1.00 . A A . 6 PHE N 1 1
8 1306 1 1 6 PHE O O -5.740 13.700 5.401 1.00 . A A . 6 PHE O 1 1
8 1307 1 1 7 THR C C -4.774 11.242 3.129 1.00 . A A . 7 THR C 1 1
8 1308 1 1 7 THR CA C -5.865 12.322 2.979 1.00 . A A . 7 THR CA 1 1
8 1309 1 1 7 THR CB C -6.537 12.191 1.589 1.00 . A A . 7 THR CB 1 1
8 1310 1 1 7 THR CG2 C -7.315 10.886 1.475 1.00 . A A . 7 THR CG2 1 1
8 1311 1 1 7 THR H H -4.968 14.157 2.408 1.00 . A A . 7 THR H 1 1
8 1312 1 1 7 THR HA H -6.621 12.156 3.732 1.00 . A A . 7 THR HA 1 1
8 1313 1 1 7 THR HB H -5.768 12.200 0.831 1.00 . A A . 7 THR HB 1 1
8 1314 1 1 7 THR HG1 H -8.022 13.390 2.111 1.00 . A A . 7 THR HG1 1 1
8 1315 1 1 7 THR HG21 H -6.890 10.153 2.143 1.00 . A A . 7 THR HG21 1 1
8 1316 1 1 7 THR HG22 H -7.257 10.523 0.461 1.00 . A A . 7 THR HG22 1 1
8 1317 1 1 7 THR HG23 H -8.349 11.056 1.739 1.00 . A A . 7 THR HG23 1 1
8 1318 1 1 7 THR N N -5.328 13.669 3.179 1.00 . A A . 7 THR N 1 1
8 1319 1 1 7 THR O O -4.761 10.254 2.389 1.00 . A A . 7 THR O 1 1
8 1320 1 1 7 THR OG1 O -7.430 13.292 1.361 1.00 . A A . 7 THR OG1 1 1
8 1321 1 1 8 SER C C -3.378 9.031 4.512 1.00 . A A . 8 SER C 1 1
8 1322 1 1 8 SER CA C -2.798 10.436 4.334 1.00 . A A . 8 SER CA 1 1
8 1323 1 1 8 SER CB C -1.980 10.806 5.575 1.00 . A A . 8 SER CB 1 1
8 1324 1 1 8 SER H H -3.916 12.215 4.672 1.00 . A A . 8 SER H 1 1
8 1325 1 1 8 SER HA H -2.149 10.437 3.472 1.00 . A A . 8 SER HA 1 1
8 1326 1 1 8 SER HB2 H -2.648 10.952 6.411 1.00 . A A . 8 SER HB2 1 1
8 1327 1 1 8 SER HB3 H -1.294 10.003 5.801 1.00 . A A . 8 SER HB3 1 1
8 1328 1 1 8 SER HG H -0.300 11.797 5.419 1.00 . A A . 8 SER HG 1 1
8 1329 1 1 8 SER N N -3.865 11.418 4.100 1.00 . A A . 8 SER N 1 1
8 1330 1 1 8 SER O O -2.914 8.074 3.890 1.00 . A A . 8 SER O 1 1
8 1331 1 1 8 SER OG O -1.239 11.993 5.374 1.00 . A A . 8 SER OG 1 1
8 1332 1 1 9 ASP C C -5.898 7.174 4.443 1.00 . A A . 9 ASP C 1 1
8 1333 1 1 9 ASP CA C -5.050 7.638 5.636 1.00 . A A . 9 ASP CA 1 1
8 1334 1 1 9 ASP CB C -5.917 7.738 6.901 1.00 . A A . 9 ASP CB 1 1
8 1335 1 1 9 ASP CG C -7.038 8.757 6.775 1.00 . A A . 9 ASP CG 1 1
8 1336 1 1 9 ASP H H -4.717 9.725 5.828 1.00 . A A . 9 ASP H 1 1
8 1337 1 1 9 ASP HA H -4.274 6.907 5.807 1.00 . A A . 9 ASP HA 1 1
8 1338 1 1 9 ASP HB2 H -6.357 6.773 7.106 1.00 . A A . 9 ASP HB2 1 1
8 1339 1 1 9 ASP HB3 H -5.290 8.025 7.732 1.00 . A A . 9 ASP HB3 1 1
8 1340 1 1 9 ASP N N -4.397 8.921 5.367 1.00 . A A . 9 ASP N 1 1
8 1341 1 1 9 ASP O O -6.948 6.550 4.621 1.00 . A A . 9 ASP O 1 1
8 1342 1 1 9 ASP OD1 O -6.739 9.960 6.621 1.00 . A A . 9 ASP OD1 1 1
8 1343 1 1 9 ASP OD2 O -8.216 8.350 6.829 1.00 . A A . 9 ASP OD2 1 1
8 1344 1 1 10 PHE C C -6.374 5.556 1.984 1.00 . A A . 10 PHE C 1 1
8 1345 1 1 10 PHE CA C -6.137 7.070 2.008 1.00 . A A . 10 PHE CA 1 1
8 1346 1 1 10 PHE CB C -5.349 7.498 0.765 1.00 . A A . 10 PHE CB 1 1
8 1347 1 1 10 PHE CD1 C -7.390 7.556 -0.706 1.00 . A A . 10 PHE CD1 1 1
8 1348 1 1 10 PHE CD2 C -5.395 6.573 -1.570 1.00 . A A . 10 PHE CD2 1 1
8 1349 1 1 10 PHE CE1 C -8.042 7.283 -1.893 1.00 . A A . 10 PHE CE1 1 1
8 1350 1 1 10 PHE CE2 C -6.043 6.298 -2.759 1.00 . A A . 10 PHE CE2 1 1
8 1351 1 1 10 PHE CG C -6.058 7.205 -0.531 1.00 . A A . 10 PHE CG 1 1
8 1352 1 1 10 PHE CZ C -7.368 6.652 -2.921 1.00 . A A . 10 PHE CZ 1 1
8 1353 1 1 10 PHE H H -4.584 7.962 3.144 1.00 . A A . 10 PHE H 1 1
8 1354 1 1 10 PHE HA H -7.094 7.571 2.004 1.00 . A A . 10 PHE HA 1 1
8 1355 1 1 10 PHE HB2 H -5.167 8.561 0.811 1.00 . A A . 10 PHE HB2 1 1
8 1356 1 1 10 PHE HB3 H -4.403 6.977 0.752 1.00 . A A . 10 PHE HB3 1 1
8 1357 1 1 10 PHE HD1 H -7.918 8.050 0.096 1.00 . A A . 10 PHE HD1 1 1
8 1358 1 1 10 PHE HD2 H -4.359 6.295 -1.446 1.00 . A A . 10 PHE HD2 1 1
8 1359 1 1 10 PHE HE1 H -9.079 7.561 -2.017 1.00 . A A . 10 PHE HE1 1 1
8 1360 1 1 10 PHE HE2 H -5.514 5.805 -3.561 1.00 . A A . 10 PHE HE2 1 1
8 1361 1 1 10 PHE HZ H -7.877 6.437 -3.849 1.00 . A A . 10 PHE HZ 1 1
8 1362 1 1 10 PHE N N -5.429 7.469 3.225 1.00 . A A . 10 PHE N 1 1
8 1363 1 1 10 PHE O O -7.414 5.092 1.513 1.00 . A A . 10 PHE O 1 1
8 1364 1 1 11 . C C -6.777 2.888 3.261 1.00 . A A . 11 PH8 C 1 1
8 1365 1 1 11 . CA C -5.495 3.336 2.550 1.00 . A A . 11 PH8 CA 1 1
8 1366 1 1 11 . CB C -4.271 2.748 3.266 1.00 . A A . 11 PH8 CB 1 1
8 1367 1 1 11 . CD1 C -4.816 -1.690 2.873 1.00 . A A . 11 PH8 CD1 1 1
8 1368 1 1 11 . CD2 C -5.750 -0.993 0.791 1.00 . A A . 11 PH8 CD2 1 1
8 1369 1 1 11 . CE1 C -5.493 -2.891 2.777 1.00 . A A . 11 PH8 CE1 1 1
8 1370 1 1 11 . CE2 C -6.430 -2.192 0.691 1.00 . A A . 11 PH8 CE2 1 1
8 1371 1 1 11 . CG C -4.936 -0.727 1.882 1.00 . A A . 11 PH8 CG 1 1
8 1372 1 1 11 . CI C -4.286 1.229 3.360 1.00 . A A . 11 PH8 CI 1 1
8 1373 1 1 11 . CJ C -4.195 0.577 1.988 1.00 . A A . 11 PH8 CJ 1 1
8 1374 1 1 11 . CZ C -6.301 -3.142 1.686 1.00 . A A . 11 PH8 CZ 1 1
8 1375 1 1 11 . HA H -5.516 2.969 1.534 1.00 . A A . 11 PH8 HA 1 1
8 1376 1 1 11 . HB H -3.380 3.045 2.733 1.00 . A A . 11 PH8 HB 1 1
8 1377 1 1 11 . HBA H -4.230 3.149 4.268 1.00 . A A . 11 PH8 HBA 1 1
8 1378 1 1 11 . HD1 H -4.186 -1.495 3.727 1.00 . A A . 11 PH8 HD1 1 1
8 1379 1 1 11 . HD2 H -5.852 -0.251 0.013 1.00 . A A . 11 PH8 HD2 1 1
8 1380 1 1 11 . HE1 H -5.390 -3.632 3.556 1.00 . A A . 11 PH8 HE1 1 1
8 1381 1 1 11 . HE2 H -7.060 -2.386 -0.164 1.00 . A A . 11 PH8 HE2 1 1
8 1382 1 1 11 . HI H -3.446 0.907 3.958 1.00 . A A . 11 PH8 HI 1 1
8 1383 1 1 11 . HIA H -5.206 0.919 3.834 1.00 . A A . 11 PH8 HIA 1 1
8 1384 1 1 11 . HJ H -3.155 0.390 1.763 1.00 . A A . 11 PH8 HJ 1 1
8 1385 1 1 11 . HJA H -4.602 1.255 1.253 1.00 . A A . 11 PH8 HJA 1 1
8 1386 1 1 11 . HN H -4.600 5.231 2.861 1.00 . A A . 11 PH8 HN 1 1
8 1387 1 1 11 . HZ H -6.830 -4.080 1.610 1.00 . A A . 11 PH8 HZ 1 1
8 1388 1 1 11 . N N -5.402 4.796 2.501 1.00 . A A . 11 PH8 N 1 1
8 1389 1 1 11 . O O -7.463 1.972 2.805 1.00 . A A . 11 PH8 O 1 1
8 1390 1 1 12 NH2 HN1 H -6.510 4.251 4.690 1.00 . A A . 12 NH2 HN1 1 1
8 1391 1 1 12 NH2 HN2 H -7.913 3.256 4.854 1.00 . A A . 12 NH2 HN2 1 1
8 1392 1 1 12 NH2 N N -7.098 3.531 4.381 1.00 . A A . 12 NH2 N 1 1
9 1393 1 1 1 HIS C C 3.114 17.688 5.586 1.00 . A A . 1 HIS C 1 1
9 1394 1 1 1 HIS CA C 4.381 17.967 6.396 1.00 . A A . 1 HIS CA 1 1
9 1395 1 1 1 HIS CB C 4.660 19.475 6.459 1.00 . A A . 1 HIS CB 1 1
9 1396 1 1 1 HIS CD2 C 4.152 20.922 8.551 1.00 . A A . 1 HIS CD2 1 1
9 1397 1 1 1 HIS CE1 C 1.970 21.000 8.375 1.00 . A A . 1 HIS CE1 1 1
9 1398 1 1 1 HIS CG C 3.809 20.215 7.448 1.00 . A A . 1 HIS CG 1 1
9 1399 1 1 1 HIS H1 H 6.408 17.465 6.352 1.00 . A A . 1 HIS H1 1 1
9 1400 1 1 1 HIS H2 H 5.720 17.667 4.820 1.00 . A A . 1 HIS H2 1 1
9 1401 1 1 1 HIS H3 H 5.392 16.271 5.717 1.00 . A A . 1 HIS H3 1 1
9 1402 1 1 1 HIS HA H 4.252 17.585 7.398 1.00 . A A . 1 HIS HA 1 1
9 1403 1 1 1 HIS HB2 H 5.693 19.630 6.733 1.00 . A A . 1 HIS HB2 1 1
9 1404 1 1 1 HIS HB3 H 4.486 19.905 5.483 1.00 . A A . 1 HIS HB3 1 1
9 1405 1 1 1 HIS HD1 H 1.881 19.870 6.676 1.00 . A A . 1 HIS HD1 1 1
9 1406 1 1 1 HIS HD2 H 5.154 21.082 8.924 1.00 . A A . 1 HIS HD2 1 1
9 1407 1 1 1 HIS HE1 H 0.930 21.222 8.567 1.00 . A A . 1 HIS HE1 1 1
9 1408 1 1 1 HIS HE2 H 2.922 21.858 9.971 1.00 . A A . 1 HIS HE2 1 1
9 1409 1 1 1 HIS N N 5.557 17.296 5.778 1.00 . A A . 1 HIS N 1 1
9 1410 1 1 1 HIS ND1 N 2.434 20.283 7.367 1.00 . A A . 1 HIS ND1 1 1
9 1411 1 1 1 HIS NE2 N 2.992 21.399 9.108 1.00 . A A . 1 HIS NE2 1 1
9 1412 1 1 1 HIS O O 3.136 17.743 4.354 1.00 . A A . 1 HIS O 1 1
9 1413 1 1 2 . C C 0.013 18.334 5.115 1.00 . A A . 2 KCY C 1 1
9 1414 1 1 2 . CA C 0.722 17.078 5.652 1.00 . A A . 2 KCY CA 1 1
9 1415 1 1 2 . CB C 0.882 16.037 4.536 1.00 . A A . 2 KCY CB 1 1
9 1416 1 1 2 . CG C 1.681 14.806 4.937 1.00 . A A . 2 KCY CG 1 1
9 1417 1 1 2 . HA H 0.089 16.656 6.416 1.00 . A A . 2 KCY HA 1 1
9 1418 1 1 2 . HB H -0.100 15.707 4.236 1.00 . A A . 2 KCY HB 1 1
9 1419 1 1 2 . HBA H 1.371 16.500 3.692 1.00 . A A . 2 KCY HBA 1 1
9 1420 1 1 2 . HG H 1.279 14.413 5.860 1.00 . A A . 2 KCY HG 1 1
9 1421 1 1 2 . HGA H 2.712 15.090 5.084 1.00 . A A . 2 KCY HGA 1 1
9 1422 1 1 2 . HN H 2.076 17.353 7.265 1.00 . A A . 2 KCY HN 1 1
9 1423 1 1 2 . N N 2.016 17.382 6.287 1.00 . A A . 2 KCY N 1 1
9 1424 1 1 2 . O O -1.220 18.393 5.119 1.00 . A A . 2 KCY O 1 1
9 1425 1 1 2 . SD S 1.633 13.475 3.684 1.00 . A A . 2 KCY SD 1 1
9 1426 1 1 3 GLU C C -0.621 20.325 2.876 1.00 . A A . 3 GLU C 1 1
9 1427 1 1 3 GLU CA C 0.198 20.573 4.141 1.00 . A A . 3 GLU CA 1 1
9 1428 1 1 3 GLU CB C 1.296 21.613 3.879 1.00 . A A . 3 GLU CB 1 1
9 1429 1 1 3 GLU CD C 3.516 22.151 2.788 1.00 . A A . 3 GLU CD 1 1
9 1430 1 1 3 GLU CG C 2.407 21.130 2.954 1.00 . A A . 3 GLU CG 1 1
9 1431 1 1 3 GLU H H 1.748 19.240 4.677 1.00 . A A . 3 GLU H 1 1
9 1432 1 1 3 GLU HA H -0.465 20.958 4.902 1.00 . A A . 3 GLU HA 1 1
9 1433 1 1 3 GLU HB2 H 0.846 22.488 3.434 1.00 . A A . 3 GLU HB2 1 1
9 1434 1 1 3 GLU HB3 H 1.741 21.892 4.823 1.00 . A A . 3 GLU HB3 1 1
9 1435 1 1 3 GLU HG2 H 2.831 20.225 3.363 1.00 . A A . 3 GLU HG2 1 1
9 1436 1 1 3 GLU HG3 H 1.983 20.920 1.983 1.00 . A A . 3 GLU HG3 1 1
9 1437 1 1 3 GLU N N 0.778 19.333 4.659 1.00 . A A . 3 GLU N 1 1
9 1438 1 1 3 GLU O O -0.070 20.111 1.794 1.00 . A A . 3 GLU O 1 1
9 1439 1 1 3 GLU OE1 O 3.238 23.256 2.275 1.00 . A A . 3 GLU OE1 1 1
9 1440 1 1 3 GLU OE2 O 4.665 21.846 3.172 1.00 . A A . 3 GLU OE2 1 1
9 1441 1 1 4 GLY C C -2.572 18.793 1.226 1.00 . A A . 4 GLY C 1 1
9 1442 1 1 4 GLY CA C -2.843 20.118 1.906 1.00 . A A . 4 GLY CA 1 1
9 1443 1 1 4 GLY H H -2.319 20.511 3.924 1.00 . A A . 4 GLY H 1 1
9 1444 1 1 4 GLY HA2 H -3.862 20.128 2.262 1.00 . A A . 4 GLY HA2 1 1
9 1445 1 1 4 GLY HA3 H -2.715 20.911 1.186 1.00 . A A . 4 GLY HA3 1 1
9 1446 1 1 4 GLY N N -1.947 20.348 3.031 1.00 . A A . 4 GLY N 1 1
9 1447 1 1 4 GLY O O -2.585 18.700 -0.003 1.00 . A A . 4 GLY O 1 1
9 1448 1 1 5 . C C -2.936 15.411 2.197 1.00 . A A . 5 HCS C 1 1
9 1449 1 1 5 . CA C -2.014 16.438 1.535 1.00 . A A . 5 HCS CA 1 1
9 1450 1 1 5 . CB C -0.534 16.137 1.789 1.00 . A A . 5 HCS CB 1 1
9 1451 1 1 5 . CG C -0.094 14.711 1.497 1.00 . A A . 5 HCS CG 1 1
9 1452 1 1 5 . H H -2.305 17.924 3.008 1.00 . A A . 5 HCS H 1 1
9 1453 1 1 5 . HB2 H 0.058 16.797 1.172 1.00 . A A . 5 HCS HB2 1 1
9 1454 1 1 5 . HB3 H -0.320 16.353 2.818 1.00 . A A . 5 HCS HB3 1 1
9 1455 1 1 5 . HCA H -2.197 16.433 0.470 1.00 . A A . 5 HCS HCA 1 1
9 1456 1 1 5 . HG2 H -0.683 14.028 2.089 1.00 . A A . 5 HCS HG2 1 1
9 1457 1 1 5 . HG3 H -0.240 14.505 0.447 1.00 . A A . 5 HCS HG3 1 1
9 1458 1 1 5 . N N -2.311 17.772 2.036 1.00 . A A . 5 HCS N 1 1
9 1459 1 1 5 . O O -2.511 14.611 3.035 1.00 . A A . 5 HCS O 1 1
9 1460 1 1 5 . SD S 1.666 14.438 1.894 1.00 . A A . 5 HCS SD 1 1
9 1461 1 1 6 PHE C C -4.839 13.096 2.230 1.00 . A A . 6 PHE C 1 1
9 1462 1 1 6 PHE CA C -5.241 14.569 2.358 1.00 . A A . 6 PHE CA 1 1
9 1463 1 1 6 PHE CB C -6.580 14.809 1.649 1.00 . A A . 6 PHE CB 1 1
9 1464 1 1 6 PHE CD1 C -7.935 13.974 3.595 1.00 . A A . 6 PHE CD1 1 1
9 1465 1 1 6 PHE CD2 C -8.594 13.330 1.395 1.00 . A A . 6 PHE CD2 1 1
9 1466 1 1 6 PHE CE1 C -8.987 13.254 4.126 1.00 . A A . 6 PHE CE1 1 1
9 1467 1 1 6 PHE CE2 C -9.649 12.608 1.921 1.00 . A A . 6 PHE CE2 1 1
9 1468 1 1 6 PHE CG C -7.726 14.021 2.225 1.00 . A A . 6 PHE CG 1 1
9 1469 1 1 6 PHE CZ C -9.845 12.570 3.287 1.00 . A A . 6 PHE CZ 1 1
9 1470 1 1 6 PHE H H -4.481 16.143 1.156 1.00 . A A . 6 PHE H 1 1
9 1471 1 1 6 PHE HA H -5.359 14.803 3.405 1.00 . A A . 6 PHE HA 1 1
9 1472 1 1 6 PHE HB2 H -6.832 15.856 1.717 1.00 . A A . 6 PHE HB2 1 1
9 1473 1 1 6 PHE HB3 H -6.479 14.537 0.608 1.00 . A A . 6 PHE HB3 1 1
9 1474 1 1 6 PHE HD1 H -7.265 14.509 4.252 1.00 . A A . 6 PHE HD1 1 1
9 1475 1 1 6 PHE HD2 H -8.442 13.359 0.326 1.00 . A A . 6 PHE HD2 1 1
9 1476 1 1 6 PHE HE1 H -9.139 13.225 5.195 1.00 . A A . 6 PHE HE1 1 1
9 1477 1 1 6 PHE HE2 H -10.318 12.073 1.263 1.00 . A A . 6 PHE HE2 1 1
9 1478 1 1 6 PHE HZ H -10.669 12.005 3.700 1.00 . A A . 6 PHE HZ 1 1
9 1479 1 1 6 PHE N N -4.215 15.466 1.816 1.00 . A A . 6 PHE N 1 1
9 1480 1 1 6 PHE O O -5.226 12.274 3.062 1.00 . A A . 6 PHE O 1 1
9 1481 1 1 7 THR C C -3.043 10.762 2.229 1.00 . A A . 7 THR C 1 1
9 1482 1 1 7 THR CA C -3.611 11.395 0.955 1.00 . A A . 7 THR CA 1 1
9 1483 1 1 7 THR CB C -2.540 11.331 -0.155 1.00 . A A . 7 THR CB 1 1
9 1484 1 1 7 THR CG2 C -3.121 11.754 -1.497 1.00 . A A . 7 THR CG2 1 1
9 1485 1 1 7 THR H H -3.793 13.471 0.559 1.00 . A A . 7 THR H 1 1
9 1486 1 1 7 THR HA H -4.464 10.817 0.633 1.00 . A A . 7 THR HA 1 1
9 1487 1 1 7 THR HB H -2.192 10.311 -0.238 1.00 . A A . 7 THR HB 1 1
9 1488 1 1 7 THR HG1 H -0.760 11.661 0.631 1.00 . A A . 7 THR HG1 1 1
9 1489 1 1 7 THR HG21 H -2.403 11.554 -2.279 1.00 . A A . 7 THR HG21 1 1
9 1490 1 1 7 THR HG22 H -3.345 12.810 -1.476 1.00 . A A . 7 THR HG22 1 1
9 1491 1 1 7 THR HG23 H -4.026 11.197 -1.689 1.00 . A A . 7 THR HG23 1 1
9 1492 1 1 7 THR N N -4.065 12.770 1.188 1.00 . A A . 7 THR N 1 1
9 1493 1 1 7 THR O O -3.253 9.574 2.481 1.00 . A A . 7 THR O 1 1
9 1494 1 1 7 THR OG1 O -1.431 12.176 0.178 1.00 . A A . 7 THR OG1 1 1
9 1495 1 1 8 SER C C -2.743 10.314 5.118 1.00 . A A . 8 SER C 1 1
9 1496 1 1 8 SER CA C -1.732 11.097 4.280 1.00 . A A . 8 SER CA 1 1
9 1497 1 1 8 SER CB C -1.201 12.285 5.088 1.00 . A A . 8 SER CB 1 1
9 1498 1 1 8 SER H H -2.205 12.503 2.764 1.00 . A A . 8 SER H 1 1
9 1499 1 1 8 SER HA H -0.909 10.447 4.030 1.00 . A A . 8 SER HA 1 1
9 1500 1 1 8 SER HB2 H -0.484 12.829 4.494 1.00 . A A . 8 SER HB2 1 1
9 1501 1 1 8 SER HB3 H -2.022 12.937 5.347 1.00 . A A . 8 SER HB3 1 1
9 1502 1 1 8 SER HG H 0.094 12.494 6.544 1.00 . A A . 8 SER HG 1 1
9 1503 1 1 8 SER N N -2.330 11.566 3.026 1.00 . A A . 8 SER N 1 1
9 1504 1 1 8 SER O O -2.420 9.256 5.662 1.00 . A A . 8 SER O 1 1
9 1505 1 1 8 SER OG O -0.569 11.852 6.281 1.00 . A A . 8 SER OG 1 1
9 1506 1 1 9 ASP C C -5.272 8.767 5.469 1.00 . A A . 9 ASP C 1 1
9 1507 1 1 9 ASP CA C -5.034 10.192 5.969 1.00 . A A . 9 ASP CA 1 1
9 1508 1 1 9 ASP CB C -6.327 11.009 5.865 1.00 . A A . 9 ASP CB 1 1
9 1509 1 1 9 ASP CG C -7.490 10.366 6.599 1.00 . A A . 9 ASP CG 1 1
9 1510 1 1 9 ASP H H -4.156 11.681 4.744 1.00 . A A . 9 ASP H 1 1
9 1511 1 1 9 ASP HA H -4.726 10.151 7.001 1.00 . A A . 9 ASP HA 1 1
9 1512 1 1 9 ASP HB2 H -6.160 11.989 6.287 1.00 . A A . 9 ASP HB2 1 1
9 1513 1 1 9 ASP HB3 H -6.596 11.114 4.824 1.00 . A A . 9 ASP HB3 1 1
9 1514 1 1 9 ASP N N -3.966 10.839 5.208 1.00 . A A . 9 ASP N 1 1
9 1515 1 1 9 ASP O O -5.319 7.826 6.264 1.00 . A A . 9 ASP O 1 1
9 1516 1 1 9 ASP OD1 O -7.395 10.195 7.833 1.00 . A A . 9 ASP OD1 1 1
9 1517 1 1 9 ASP OD2 O -8.496 10.033 5.938 1.00 . A A . 9 ASP OD2 1 1
9 1518 1 1 10 PHE C C -4.354 6.472 3.575 1.00 . A A . 10 PHE C 1 1
9 1519 1 1 10 PHE CA C -5.626 7.317 3.521 1.00 . A A . 10 PHE CA 1 1
9 1520 1 1 10 PHE CB C -6.100 7.486 2.071 1.00 . A A . 10 PHE CB 1 1
9 1521 1 1 10 PHE CD1 C -8.048 8.936 2.747 1.00 . A A . 10 PHE CD1 1 1
9 1522 1 1 10 PHE CD2 C -8.372 7.329 1.015 1.00 . A A . 10 PHE CD2 1 1
9 1523 1 1 10 PHE CE1 C -9.364 9.335 2.627 1.00 . A A . 10 PHE CE1 1 1
9 1524 1 1 10 PHE CE2 C -9.690 7.725 0.891 1.00 . A A . 10 PHE CE2 1 1
9 1525 1 1 10 PHE CG C -7.535 7.928 1.943 1.00 . A A . 10 PHE CG 1 1
9 1526 1 1 10 PHE CZ C -10.187 8.728 1.699 1.00 . A A . 10 PHE CZ 1 1
9 1527 1 1 10 PHE H H -5.343 9.417 3.576 1.00 . A A . 10 PHE H 1 1
9 1528 1 1 10 PHE HA H -6.397 6.811 4.083 1.00 . A A . 10 PHE HA 1 1
9 1529 1 1 10 PHE HB2 H -5.482 8.224 1.582 1.00 . A A . 10 PHE HB2 1 1
9 1530 1 1 10 PHE HB3 H -5.996 6.542 1.555 1.00 . A A . 10 PHE HB3 1 1
9 1531 1 1 10 PHE HD1 H -7.408 9.413 3.473 1.00 . A A . 10 PHE HD1 1 1
9 1532 1 1 10 PHE HD2 H -7.986 6.543 0.383 1.00 . A A . 10 PHE HD2 1 1
9 1533 1 1 10 PHE HE1 H -9.751 10.119 3.260 1.00 . A A . 10 PHE HE1 1 1
9 1534 1 1 10 PHE HE2 H -10.331 7.249 0.164 1.00 . A A . 10 PHE HE2 1 1
9 1535 1 1 10 PHE HZ H -11.217 9.039 1.604 1.00 . A A . 10 PHE HZ 1 1
9 1536 1 1 10 PHE N N -5.406 8.622 4.147 1.00 . A A . 10 PHE N 1 1
9 1537 1 1 10 PHE O O -3.722 6.199 2.553 1.00 . A A . 10 PHE O 1 1
9 1538 1 1 11 . C C -2.479 5.155 6.496 1.00 . A A . 11 PH8 C 1 1
9 1539 1 1 11 . CA C -2.781 5.279 5.000 1.00 . A A . 11 PH8 CA 1 1
9 1540 1 1 11 . CB C -1.597 5.909 4.252 1.00 . A A . 11 PH8 CB 1 1
9 1541 1 1 11 . CD1 C 0.305 7.596 6.879 1.00 . A A . 11 PH8 CD1 1 1
9 1542 1 1 11 . CD2 C 1.723 7.466 4.965 1.00 . A A . 11 PH8 CD2 1 1
9 1543 1 1 11 . CE1 C 0.653 8.922 7.049 1.00 . A A . 11 PH8 CE1 1 1
9 1544 1 1 11 . CE2 C 2.074 8.791 5.131 1.00 . A A . 11 PH8 CE2 1 1
9 1545 1 1 11 . CG C 0.835 6.853 5.836 1.00 . A A . 11 PH8 CG 1 1
9 1546 1 1 11 . CI C -0.291 5.127 4.353 1.00 . A A . 11 PH8 CI 1 1
9 1547 1 1 11 . CJ C 0.454 5.409 5.652 1.00 . A A . 11 PH8 CJ 1 1
9 1548 1 1 11 . CZ C 1.539 9.521 6.174 1.00 . A A . 11 PH8 CZ 1 1
9 1549 1 1 11 . HA H -2.965 4.293 4.600 1.00 . A A . 11 PH8 HA 1 1
9 1550 1 1 11 . HB H -1.856 5.993 3.207 1.00 . A A . 11 PH8 HB 1 1
9 1551 1 1 11 . HBA H -1.427 6.900 4.648 1.00 . A A . 11 PH8 HBA 1 1
9 1552 1 1 11 . HD1 H -0.386 7.129 7.564 1.00 . A A . 11 PH8 HD1 1 1
9 1553 1 1 11 . HD2 H 2.142 6.896 4.149 1.00 . A A . 11 PH8 HD2 1 1
9 1554 1 1 11 . HE1 H 0.233 9.491 7.866 1.00 . A A . 11 PH8 HE1 1 1
9 1555 1 1 11 . HE2 H 2.767 9.257 4.445 1.00 . A A . 11 PH8 HE2 1 1
9 1556 1 1 11 . HI H -0.514 4.071 4.303 1.00 . A A . 11 PH8 HI 1 1
9 1557 1 1 11 . HIA H 0.342 5.400 3.522 1.00 . A A . 11 PH8 HIA 1 1
9 1558 1 1 11 . HJ H 1.359 4.821 5.664 1.00 . A A . 11 PH8 HJ 1 1
9 1559 1 1 11 . HJA H -0.170 5.119 6.482 1.00 . A A . 11 PH8 HJA 1 1
9 1560 1 1 11 . HN H -4.524 6.338 5.556 1.00 . A A . 11 PH8 HN 1 1
9 1561 1 1 11 . HZ H 1.812 10.557 6.306 1.00 . A A . 11 PH8 HZ 1 1
9 1562 1 1 11 . N N -3.980 6.077 4.785 1.00 . A A . 11 PH8 N 1 1
9 1563 1 1 11 . O O -2.035 4.106 6.963 1.00 . A A . 11 PH8 O 1 1
9 1564 1 1 12 NH2 HN1 H -3.080 7.033 6.819 1.00 . A A . 12 NH2 HN1 1 1
9 1565 1 1 12 NH2 HN2 H -2.539 6.164 8.213 1.00 . A A . 12 NH2 HN2 1 1
9 1566 1 1 12 NH2 N N -2.724 6.226 7.253 1.00 . A A . 12 NH2 N 1 1
10 1567 1 1 1 HIS C C 3.108 18.052 6.257 1.00 . A A . 1 HIS C 1 1
10 1568 1 1 1 HIS CA C 3.599 17.737 7.672 1.00 . A A . 1 HIS CA 1 1
10 1569 1 1 1 HIS CB C 2.709 18.431 8.720 1.00 . A A . 1 HIS CB 1 1
10 1570 1 1 1 HIS CD2 C 3.590 20.796 8.050 1.00 . A A . 1 HIS CD2 1 1
10 1571 1 1 1 HIS CE1 C 2.401 21.983 9.456 1.00 . A A . 1 HIS CE1 1 1
10 1572 1 1 1 HIS CG C 2.825 19.931 8.763 1.00 . A A . 1 HIS CG 1 1
10 1573 1 1 1 HIS H1 H 5.281 18.884 7.182 1.00 . A A . 1 HIS H1 1 1
10 1574 1 1 1 HIS H2 H 5.649 17.337 7.752 1.00 . A A . 1 HIS H2 1 1
10 1575 1 1 1 HIS H3 H 5.150 18.537 8.833 1.00 . A A . 1 HIS H3 1 1
10 1576 1 1 1 HIS HA H 3.543 16.668 7.823 1.00 . A A . 1 HIS HA 1 1
10 1577 1 1 1 HIS HB2 H 1.677 18.191 8.512 1.00 . A A . 1 HIS HB2 1 1
10 1578 1 1 1 HIS HB3 H 2.965 18.051 9.698 1.00 . A A . 1 HIS HB3 1 1
10 1579 1 1 1 HIS HD1 H 1.441 20.381 10.290 1.00 . A A . 1 HIS HD1 1 1
10 1580 1 1 1 HIS HD2 H 4.293 20.537 7.271 1.00 . A A . 1 HIS HD2 1 1
10 1581 1 1 1 HIS HE1 H 1.984 22.818 10.000 1.00 . A A . 1 HIS HE1 1 1
10 1582 1 1 1 HIS HE2 H 3.762 22.881 8.217 1.00 . A A . 1 HIS HE2 1 1
10 1583 1 1 1 HIS N N 5.018 18.154 7.874 1.00 . A A . 1 HIS N 1 1
10 1584 1 1 1 HIS ND1 N 2.092 20.711 9.636 1.00 . A A . 1 HIS ND1 1 1
10 1585 1 1 1 HIS NE2 N 3.307 22.060 8.500 1.00 . A A . 1 HIS NE2 1 1
10 1586 1 1 1 HIS O O 3.276 19.170 5.768 1.00 . A A . 1 HIS O 1 1
10 1587 1 1 2 . C C 0.650 17.964 4.233 1.00 . A A . 2 KCY C 1 1
10 1588 1 1 2 . CA C 1.961 17.177 4.254 1.00 . A A . 2 KCY CA 1 1
10 1589 1 1 2 . CB C 2.985 17.832 3.313 1.00 . A A . 2 KCY CB 1 1
10 1590 1 1 2 . CG C 2.435 18.164 1.932 1.00 . A A . 2 KCY CG 1 1
10 1591 1 1 2 . HA H 1.759 16.178 3.895 1.00 . A A . 2 KCY HA 1 1
10 1592 1 1 2 . HB H 3.335 18.749 3.760 1.00 . A A . 2 KCY HB 1 1
10 1593 1 1 2 . HBA H 3.822 17.161 3.190 1.00 . A A . 2 KCY HBA 1 1
10 1594 1 1 2 . HG H 3.197 18.682 1.368 1.00 . A A . 2 KCY HG 1 1
10 1595 1 1 2 . HGA H 1.572 18.803 2.043 1.00 . A A . 2 KCY HGA 1 1
10 1596 1 1 2 . HN H 2.399 16.192 6.075 1.00 . A A . 2 KCY HN 1 1
10 1597 1 1 2 . N N 2.497 17.049 5.615 1.00 . A A . 2 KCY N 1 1
10 1598 1 1 2 . O O -0.362 17.466 3.739 1.00 . A A . 2 KCY O 1 1
10 1599 1 1 2 . SD S 1.927 16.693 0.982 1.00 . A A . 2 KCY SD 1 1
10 1600 1 1 3 GLU C C -1.044 20.257 3.366 1.00 . A A . 3 GLU C 1 1
10 1601 1 1 3 GLU CA C -0.516 20.044 4.787 1.00 . A A . 3 GLU CA 1 1
10 1602 1 1 3 GLU CB C -0.187 21.393 5.443 1.00 . A A . 3 GLU CB 1 1
10 1603 1 1 3 GLU CD C -2.477 21.889 6.458 1.00 . A A . 3 GLU CD 1 1
10 1604 1 1 3 GLU CG C -1.370 22.354 5.520 1.00 . A A . 3 GLU CG 1 1
10 1605 1 1 3 GLU H H 1.513 19.534 5.134 1.00 . A A . 3 GLU H 1 1
10 1606 1 1 3 GLU HA H -1.273 19.541 5.370 1.00 . A A . 3 GLU HA 1 1
10 1607 1 1 3 GLU HB2 H 0.165 21.212 6.448 1.00 . A A . 3 GLU HB2 1 1
10 1608 1 1 3 GLU HB3 H 0.600 21.871 4.879 1.00 . A A . 3 GLU HB3 1 1
10 1609 1 1 3 GLU HG2 H -1.012 23.311 5.867 1.00 . A A . 3 GLU HG2 1 1
10 1610 1 1 3 GLU HG3 H -1.784 22.468 4.528 1.00 . A A . 3 GLU HG3 1 1
10 1611 1 1 3 GLU N N 0.674 19.192 4.761 1.00 . A A . 3 GLU N 1 1
10 1612 1 1 3 GLU O O -0.529 21.092 2.619 1.00 . A A . 3 GLU O 1 1
10 1613 1 1 3 GLU OE1 O -2.311 20.842 7.124 1.00 . A A . 3 GLU OE1 1 1
10 1614 1 1 3 GLU OE2 O -3.513 22.583 6.532 1.00 . A A . 3 GLU OE2 1 1
10 1615 1 1 4 GLY C C -3.008 18.197 1.110 1.00 . A A . 4 GLY C 1 1
10 1616 1 1 4 GLY CA C -2.631 19.562 1.664 1.00 . A A . 4 GLY CA 1 1
10 1617 1 1 4 GLY H H -2.411 18.817 3.634 1.00 . A A . 4 GLY H 1 1
10 1618 1 1 4 GLY HA2 H -3.515 20.181 1.702 1.00 . A A . 4 GLY HA2 1 1
10 1619 1 1 4 GLY HA3 H -1.911 20.020 1.002 1.00 . A A . 4 GLY HA3 1 1
10 1620 1 1 4 GLY N N -2.058 19.474 2.998 1.00 . A A . 4 GLY N 1 1
10 1621 1 1 4 GLY O O -4.001 18.065 0.391 1.00 . A A . 4 GLY O 1 1
10 1622 1 1 5 . C C -3.072 14.997 2.148 1.00 . A A . 5 HCS C 1 1
10 1623 1 1 5 . CA C -2.462 15.808 1.011 1.00 . A A . 5 HCS CA 1 1
10 1624 1 1 5 . CB C -1.164 15.142 0.530 1.00 . A A . 5 HCS CB 1 1
10 1625 1 1 5 . CG C -0.494 15.845 -0.641 1.00 . A A . 5 HCS CG 1 1
10 1626 1 1 5 . H H -1.455 17.347 2.047 1.00 . A A . 5 HCS H 1 1
10 1627 1 1 5 . HB2 H -0.463 15.117 1.351 1.00 . A A . 5 HCS HB2 1 1
10 1628 1 1 5 . HB3 H -1.386 14.128 0.231 1.00 . A A . 5 HCS HB3 1 1
10 1629 1 1 5 . HCA H -3.165 15.846 0.192 1.00 . A A . 5 HCS HCA 1 1
10 1630 1 1 5 . HG2 H 0.222 15.173 -1.090 1.00 . A A . 5 HCS HG2 1 1
10 1631 1 1 5 . HG3 H -1.248 16.108 -1.369 1.00 . A A . 5 HCS HG3 1 1
10 1632 1 1 5 . N N -2.215 17.177 1.458 1.00 . A A . 5 HCS N 1 1
10 1633 1 1 5 . O O -2.616 13.894 2.460 1.00 . A A . 5 HCS O 1 1
10 1634 1 1 5 . SD S 0.387 17.367 -0.159 1.00 . A A . 5 HCS SD 1 1
10 1635 1 1 6 PHE C C -5.241 13.499 3.512 1.00 . A A . 6 PHE C 1 1
10 1636 1 1 6 PHE CA C -4.788 14.912 3.884 1.00 . A A . 6 PHE CA 1 1
10 1637 1 1 6 PHE CB C -5.991 15.742 4.343 1.00 . A A . 6 PHE CB 1 1
10 1638 1 1 6 PHE CD1 C -5.253 18.138 4.068 1.00 . A A . 6 PHE CD1 1 1
10 1639 1 1 6 PHE CD2 C -5.711 17.332 6.266 1.00 . A A . 6 PHE CD2 1 1
10 1640 1 1 6 PHE CE1 C -4.939 19.380 4.587 1.00 . A A . 6 PHE CE1 1 1
10 1641 1 1 6 PHE CE2 C -5.397 18.572 6.788 1.00 . A A . 6 PHE CE2 1 1
10 1642 1 1 6 PHE CG C -5.644 17.099 4.901 1.00 . A A . 6 PHE CG 1 1
10 1643 1 1 6 PHE CZ C -5.011 19.596 5.948 1.00 . A A . 6 PHE CZ 1 1
10 1644 1 1 6 PHE H H -4.413 16.439 2.472 1.00 . A A . 6 PHE H 1 1
10 1645 1 1 6 PHE HA H -4.085 14.842 4.701 1.00 . A A . 6 PHE HA 1 1
10 1646 1 1 6 PHE HB2 H -6.657 15.889 3.507 1.00 . A A . 6 PHE HB2 1 1
10 1647 1 1 6 PHE HB3 H -6.507 15.195 5.109 1.00 . A A . 6 PHE HB3 1 1
10 1648 1 1 6 PHE HD1 H -5.199 17.974 3.003 1.00 . A A . 6 PHE HD1 1 1
10 1649 1 1 6 PHE HD2 H -6.013 16.532 6.925 1.00 . A A . 6 PHE HD2 1 1
10 1650 1 1 6 PHE HE1 H -4.636 20.181 3.928 1.00 . A A . 6 PHE HE1 1 1
10 1651 1 1 6 PHE HE2 H -5.454 18.739 7.854 1.00 . A A . 6 PHE HE2 1 1
10 1652 1 1 6 PHE HZ H -4.766 20.565 6.355 1.00 . A A . 6 PHE HZ 1 1
10 1653 1 1 6 PHE N N -4.105 15.561 2.770 1.00 . A A . 6 PHE N 1 1
10 1654 1 1 6 PHE O O -5.150 12.580 4.326 1.00 . A A . 6 PHE O 1 1
10 1655 1 1 7 THR C C -5.084 10.974 1.928 1.00 . A A . 7 THR C 1 1
10 1656 1 1 7 THR CA C -6.181 12.032 1.791 1.00 . A A . 7 THR CA 1 1
10 1657 1 1 7 THR CB C -6.627 12.107 0.315 1.00 . A A . 7 THR CB 1 1
10 1658 1 1 7 THR CG2 C -7.151 10.762 -0.169 1.00 . A A . 7 THR CG2 1 1
10 1659 1 1 7 THR H H -5.763 14.106 1.673 1.00 . A A . 7 THR H 1 1
10 1660 1 1 7 THR HA H -7.029 11.735 2.388 1.00 . A A . 7 THR HA 1 1
10 1661 1 1 7 THR HB H -5.774 12.382 -0.289 1.00 . A A . 7 THR HB 1 1
10 1662 1 1 7 THR HG1 H -7.541 13.538 -0.688 1.00 . A A . 7 THR HG1 1 1
10 1663 1 1 7 THR HG21 H -6.319 10.100 -0.360 1.00 . A A . 7 THR HG21 1 1
10 1664 1 1 7 THR HG22 H -7.716 10.902 -1.079 1.00 . A A . 7 THR HG22 1 1
10 1665 1 1 7 THR HG23 H -7.788 10.330 0.588 1.00 . A A . 7 THR HG23 1 1
10 1666 1 1 7 THR N N -5.721 13.334 2.276 1.00 . A A . 7 THR N 1 1
10 1667 1 1 7 THR O O -5.346 9.854 2.372 1.00 . A A . 7 THR O 1 1
10 1668 1 1 7 THR OG1 O -7.647 13.100 0.160 1.00 . A A . 7 THR OG1 1 1
10 1669 1 1 8 SER C C -2.587 9.841 3.038 1.00 . A A . 8 SER C 1 1
10 1670 1 1 8 SER CA C -2.711 10.432 1.635 1.00 . A A . 8 SER CA 1 1
10 1671 1 1 8 SER CB C -1.418 11.164 1.262 1.00 . A A . 8 SER CB 1 1
10 1672 1 1 8 SER H H -3.715 12.252 1.213 1.00 . A A . 8 SER H 1 1
10 1673 1 1 8 SER HA H -2.875 9.629 0.934 1.00 . A A . 8 SER HA 1 1
10 1674 1 1 8 SER HB2 H -1.515 11.577 0.268 1.00 . A A . 8 SER HB2 1 1
10 1675 1 1 8 SER HB3 H -1.243 11.962 1.968 1.00 . A A . 8 SER HB3 1 1
10 1676 1 1 8 SER HG H 0.257 10.458 0.526 1.00 . A A . 8 SER HG 1 1
10 1677 1 1 8 SER N N -3.855 11.342 1.551 1.00 . A A . 8 SER N 1 1
10 1678 1 1 8 SER O O -2.340 8.644 3.197 1.00 . A A . 8 SER O 1 1
10 1679 1 1 8 SER OG O -0.306 10.284 1.284 1.00 . A A . 8 SER OG 1 1
10 1680 1 1 9 ASP C C -3.726 9.172 5.735 1.00 . A A . 9 ASP C 1 1
10 1681 1 1 9 ASP CA C -2.691 10.258 5.445 1.00 . A A . 9 ASP CA 1 1
10 1682 1 1 9 ASP CB C -2.905 11.446 6.392 1.00 . A A . 9 ASP CB 1 1
10 1683 1 1 9 ASP CG C -1.849 12.527 6.233 1.00 . A A . 9 ASP CG 1 1
10 1684 1 1 9 ASP H H -2.970 11.629 3.854 1.00 . A A . 9 ASP H 1 1
10 1685 1 1 9 ASP HA H -1.706 9.851 5.610 1.00 . A A . 9 ASP HA 1 1
10 1686 1 1 9 ASP HB2 H -3.871 11.886 6.194 1.00 . A A . 9 ASP HB2 1 1
10 1687 1 1 9 ASP HB3 H -2.881 11.092 7.412 1.00 . A A . 9 ASP HB3 1 1
10 1688 1 1 9 ASP N N -2.770 10.690 4.051 1.00 . A A . 9 ASP N 1 1
10 1689 1 1 9 ASP O O -3.418 8.168 6.379 1.00 . A A . 9 ASP O 1 1
10 1690 1 1 9 ASP OD1 O -1.791 13.150 5.152 1.00 . A A . 9 ASP OD1 1 1
10 1691 1 1 9 ASP OD2 O -1.079 12.748 7.191 1.00 . A A . 9 ASP OD2 1 1
10 1692 1 1 10 PHE C C -5.680 7.078 4.780 1.00 . A A . 10 PHE C 1 1
10 1693 1 1 10 PHE CA C -6.035 8.414 5.428 1.00 . A A . 10 PHE CA 1 1
10 1694 1 1 10 PHE CB C -7.351 8.960 4.851 1.00 . A A . 10 PHE CB 1 1
10 1695 1 1 10 PHE CD1 C -7.221 11.133 6.128 1.00 . A A . 10 PHE CD1 1 1
10 1696 1 1 10 PHE CD2 C -9.328 10.027 5.972 1.00 . A A . 10 PHE CD2 1 1
10 1697 1 1 10 PHE CE1 C -7.802 12.140 6.875 1.00 . A A . 10 PHE CE1 1 1
10 1698 1 1 10 PHE CE2 C -9.914 11.032 6.718 1.00 . A A . 10 PHE CE2 1 1
10 1699 1 1 10 PHE CG C -7.976 10.064 5.667 1.00 . A A . 10 PHE CG 1 1
10 1700 1 1 10 PHE CZ C -9.150 12.089 7.170 1.00 . A A . 10 PHE CZ 1 1
10 1701 1 1 10 PHE H H -5.122 10.191 4.719 1.00 . A A . 10 PHE H 1 1
10 1702 1 1 10 PHE HA H -6.155 8.261 6.491 1.00 . A A . 10 PHE HA 1 1
10 1703 1 1 10 PHE HB2 H -7.165 9.348 3.861 1.00 . A A . 10 PHE HB2 1 1
10 1704 1 1 10 PHE HB3 H -8.065 8.152 4.783 1.00 . A A . 10 PHE HB3 1 1
10 1705 1 1 10 PHE HD1 H -6.168 11.177 5.900 1.00 . A A . 10 PHE HD1 1 1
10 1706 1 1 10 PHE HD2 H -9.928 9.201 5.621 1.00 . A A . 10 PHE HD2 1 1
10 1707 1 1 10 PHE HE1 H -7.203 12.966 7.227 1.00 . A A . 10 PHE HE1 1 1
10 1708 1 1 10 PHE HE2 H -10.968 10.990 6.948 1.00 . A A . 10 PHE HE2 1 1
10 1709 1 1 10 PHE HZ H -9.606 12.876 7.754 1.00 . A A . 10 PHE HZ 1 1
10 1710 1 1 10 PHE N N -4.950 9.377 5.238 1.00 . A A . 10 PHE N 1 1
10 1711 1 1 10 PHE O O -6.466 6.501 4.026 1.00 . A A . 10 PHE O 1 1
10 1712 1 1 11 . C C -2.610 4.990 5.083 1.00 . A A . 11 PH8 C 1 1
10 1713 1 1 11 . CA C -3.997 5.334 4.531 1.00 . A A . 11 PH8 CA 1 1
10 1714 1 1 11 . CB C -3.951 5.408 3.001 1.00 . A A . 11 PH8 CB 1 1
10 1715 1 1 11 . CD1 C -1.232 5.272 0.406 1.00 . A A . 11 PH8 CD1 1 1
10 1716 1 1 11 . CD2 C -1.659 3.092 -0.464 1.00 . A A . 11 PH8 CD2 1 1
10 1717 1 1 11 . CE1 C 0.045 5.236 -0.122 1.00 . A A . 11 PH8 CE1 1 1
10 1718 1 1 11 . CE2 C -0.383 3.051 -0.995 1.00 . A A . 11 PH8 CE2 1 1
10 1719 1 1 11 . CG C -2.098 4.202 0.242 1.00 . A A . 11 PH8 CG 1 1
10 1720 1 1 11 . CI C -3.526 4.108 2.334 1.00 . A A . 11 PH8 CI 1 1
10 1721 1 1 11 . CJ C -3.486 4.243 0.819 1.00 . A A . 11 PH8 CJ 1 1
10 1722 1 1 11 . CZ C 0.470 4.124 -0.823 1.00 . A A . 11 PH8 CZ 1 1
10 1723 1 1 11 . HA H -4.689 4.559 4.825 1.00 . A A . 11 PH8 HA 1 1
10 1724 1 1 11 . HB H -4.934 5.668 2.637 1.00 . A A . 11 PH8 HB 1 1
10 1725 1 1 11 . HBA H -3.254 6.180 2.711 1.00 . A A . 11 PH8 HBA 1 1
10 1726 1 1 11 . HD1 H -1.562 6.142 0.954 1.00 . A A . 11 PH8 HD1 1 1
10 1727 1 1 11 . HD2 H -2.325 2.253 -0.599 1.00 . A A . 11 PH8 HD2 1 1
10 1728 1 1 11 . HE1 H 0.710 6.076 0.013 1.00 . A A . 11 PH8 HE1 1 1
10 1729 1 1 11 . HE2 H -0.054 2.181 -1.543 1.00 . A A . 11 PH8 HE2 1 1
10 1730 1 1 11 . HI H -2.542 3.838 2.688 1.00 . A A . 11 PH8 HI 1 1
10 1731 1 1 11 . HIA H -4.231 3.332 2.598 1.00 . A A . 11 PH8 HIA 1 1
10 1732 1 1 11 . HJ H -3.937 5.185 0.543 1.00 . A A . 11 PH8 HJ 1 1
10 1733 1 1 11 . HJA H -4.054 3.434 0.385 1.00 . A A . 11 PH8 HJA 1 1
10 1734 1 1 11 . HN H -3.903 7.108 5.684 1.00 . A A . 11 PH8 HN 1 1
10 1735 1 1 11 . HZ H 1.467 4.094 -1.237 1.00 . A A . 11 PH8 HZ 1 1
10 1736 1 1 11 . N N -4.480 6.597 5.080 1.00 . A A . 11 PH8 N 1 1
10 1737 1 1 11 . O O -2.331 3.837 5.409 1.00 . A A . 11 PH8 O 1 1
10 1738 1 1 12 NH2 HN1 H -2.023 6.889 4.906 1.00 . A A . 12 NH2 HN1 1 1
10 1739 1 1 12 NH2 HN2 H -0.843 5.792 5.529 1.00 . A A . 12 NH2 HN2 1 1
10 1740 1 1 12 NH2 N N -1.737 5.992 5.183 1.00 . A A . 12 NH2 N 1 1
11 1741 1 1 1 HIS C C 3.837 20.567 5.306 1.00 . A A . 1 HIS C 1 1
11 1742 1 1 1 HIS CA C 4.398 21.563 6.322 1.00 . A A . 1 HIS CA 1 1
11 1743 1 1 1 HIS CB C 3.832 22.962 6.053 1.00 . A A . 1 HIS CB 1 1
11 1744 1 1 1 HIS CD2 C 5.051 25.080 6.928 1.00 . A A . 1 HIS CD2 1 1
11 1745 1 1 1 HIS CE1 C 4.412 24.978 9.021 1.00 . A A . 1 HIS CE1 1 1
11 1746 1 1 1 HIS CG C 4.258 23.990 7.058 1.00 . A A . 1 HIS CG 1 1
11 1747 1 1 1 HIS H1 H 6.273 21.938 7.163 1.00 . A A . 1 HIS H1 1 1
11 1748 1 1 1 HIS H2 H 6.178 22.309 5.516 1.00 . A A . 1 HIS H2 1 1
11 1749 1 1 1 HIS H3 H 6.275 20.695 6.015 1.00 . A A . 1 HIS H3 1 1
11 1750 1 1 1 HIS HA H 4.116 21.250 7.317 1.00 . A A . 1 HIS HA 1 1
11 1751 1 1 1 HIS HB2 H 4.162 23.294 5.080 1.00 . A A . 1 HIS HB2 1 1
11 1752 1 1 1 HIS HB3 H 2.753 22.913 6.064 1.00 . A A . 1 HIS HB3 1 1
11 1753 1 1 1 HIS HD1 H 3.291 23.283 8.791 1.00 . A A . 1 HIS HD1 1 1
11 1754 1 1 1 HIS HD2 H 5.532 25.418 6.021 1.00 . A A . 1 HIS HD2 1 1
11 1755 1 1 1 HIS HE1 H 4.285 25.205 10.069 1.00 . A A . 1 HIS HE1 1 1
11 1756 1 1 1 HIS HE2 H 5.761 26.387 8.406 1.00 . A A . 1 HIS HE2 1 1
11 1757 1 1 1 HIS N N 5.884 21.631 6.248 1.00 . A A . 1 HIS N 1 1
11 1758 1 1 1 HIS ND1 N 3.874 23.955 8.382 1.00 . A A . 1 HIS ND1 1 1
11 1759 1 1 1 HIS NE2 N 5.132 25.676 8.162 1.00 . A A . 1 HIS NE2 1 1
11 1760 1 1 1 HIS O O 3.924 20.792 4.098 1.00 . A A . 1 HIS O 1 1
11 1761 1 1 2 . C C 1.204 18.732 4.610 1.00 . A A . 2 KCY C 1 1
11 1762 1 1 2 . CA C 2.660 18.413 4.982 1.00 . A A . 2 KCY CA 1 1
11 1763 1 1 2 . CB C 3.494 18.166 3.716 1.00 . A A . 2 KCY CB 1 1
11 1764 1 1 2 . CG C 3.126 16.886 2.980 1.00 . A A . 2 KCY CG 1 1
11 1765 1 1 2 . HA H 2.661 17.508 5.571 1.00 . A A . 2 KCY HA 1 1
11 1766 1 1 2 . HB H 3.352 18.995 3.038 1.00 . A A . 2 KCY HB 1 1
11 1767 1 1 2 . HBA H 4.537 18.111 3.991 1.00 . A A . 2 KCY HBA 1 1
11 1768 1 1 2 . HG H 3.784 16.767 2.132 1.00 . A A . 2 KCY HG 1 1
11 1769 1 1 2 . HGA H 2.104 16.956 2.641 1.00 . A A . 2 KCY HGA 1 1
11 1770 1 1 2 . HN H 3.223 19.369 6.791 1.00 . A A . 2 KCY HN 1 1
11 1771 1 1 2 . N N 3.256 19.470 5.817 1.00 . A A . 2 KCY N 1 1
11 1772 1 1 2 . O O 0.442 17.828 4.248 1.00 . A A . 2 KCY O 1 1
11 1773 1 1 2 . SD S 3.276 15.402 4.031 1.00 . A A . 2 KCY SD 1 1
11 1774 1 1 3 GLU C C -0.860 20.179 2.914 1.00 . A A . 3 GLU C 1 1
11 1775 1 1 3 GLU CA C -0.544 20.431 4.384 1.00 . A A . 3 GLU CA 1 1
11 1776 1 1 3 GLU CB C -0.744 21.914 4.722 1.00 . A A . 3 GLU CB 1 1
11 1777 1 1 3 GLU CD C -0.697 23.720 6.496 1.00 . A A . 3 GLU CD 1 1
11 1778 1 1 3 GLU CG C -0.514 22.244 6.190 1.00 . A A . 3 GLU CG 1 1
11 1779 1 1 3 GLU H H 1.464 20.686 4.998 1.00 . A A . 3 GLU H 1 1
11 1780 1 1 3 GLU HA H -1.218 19.841 4.986 1.00 . A A . 3 GLU HA 1 1
11 1781 1 1 3 GLU HB2 H -0.057 22.503 4.132 1.00 . A A . 3 GLU HB2 1 1
11 1782 1 1 3 GLU HB3 H -1.756 22.195 4.467 1.00 . A A . 3 GLU HB3 1 1
11 1783 1 1 3 GLU HG2 H -1.215 21.680 6.786 1.00 . A A . 3 GLU HG2 1 1
11 1784 1 1 3 GLU HG3 H 0.493 21.959 6.455 1.00 . A A . 3 GLU HG3 1 1
11 1785 1 1 3 GLU N N 0.819 20.012 4.703 1.00 . A A . 3 GLU N 1 1
11 1786 1 1 3 GLU O O -0.497 20.970 2.041 1.00 . A A . 3 GLU O 1 1
11 1787 1 1 3 GLU OE1 O -1.822 24.232 6.311 1.00 . A A . 3 GLU OE1 1 1
11 1788 1 1 3 GLU OE2 O 0.286 24.364 6.920 1.00 . A A . 3 GLU OE2 1 1
11 1789 1 1 4 GLY C C -2.176 17.229 1.126 1.00 . A A . 4 GLY C 1 1
11 1790 1 1 4 GLY CA C -1.892 18.710 1.292 1.00 . A A . 4 GLY CA 1 1
11 1791 1 1 4 GLY H H -1.793 18.472 3.393 1.00 . A A . 4 GLY H 1 1
11 1792 1 1 4 GLY HA2 H -2.773 19.267 1.007 1.00 . A A . 4 GLY HA2 1 1
11 1793 1 1 4 GLY HA3 H -1.079 18.984 0.636 1.00 . A A . 4 GLY HA3 1 1
11 1794 1 1 4 GLY N N -1.537 19.063 2.653 1.00 . A A . 4 GLY N 1 1
11 1795 1 1 4 GLY O O -3.074 16.848 0.373 1.00 . A A . 4 GLY O 1 1
11 1796 1 1 5 . C C -2.516 14.405 2.828 1.00 . A A . 5 HCS C 1 1
11 1797 1 1 5 . CA C -1.579 14.937 1.735 1.00 . A A . 5 HCS CA 1 1
11 1798 1 1 5 . CB C -0.215 14.236 1.799 1.00 . A A . 5 HCS CB 1 1
11 1799 1 1 5 . CG C 0.550 14.487 3.090 1.00 . A A . 5 HCS CG 1 1
11 1800 1 1 5 . H H -0.701 16.755 2.406 1.00 . A A . 5 HCS H 1 1
11 1801 1 1 5 . HB2 H -0.366 13.172 1.699 1.00 . A A . 5 HCS HB2 1 1
11 1802 1 1 5 . HB3 H 0.391 14.582 0.974 1.00 . A A . 5 HCS HB3 1 1
11 1803 1 1 5 . HCA H -2.030 14.725 0.777 1.00 . A A . 5 HCS HCA 1 1
11 1804 1 1 5 . HG2 H 0.528 15.543 3.313 1.00 . A A . 5 HCS HG2 1 1
11 1805 1 1 5 . HG3 H 0.077 13.937 3.890 1.00 . A A . 5 HCS HG3 1 1
11 1806 1 1 5 . N N -1.405 16.389 1.823 1.00 . A A . 5 HCS N 1 1
11 1807 1 1 5 . O O -2.262 13.355 3.422 1.00 . A A . 5 HCS O 1 1
11 1808 1 1 5 . SD S 2.291 13.965 2.990 1.00 . A A . 5 HCS SD 1 1
11 1809 1 1 6 PHE C C -5.196 13.365 3.747 1.00 . A A . 6 PHE C 1 1
11 1810 1 1 6 PHE CA C -4.594 14.732 4.081 1.00 . A A . 6 PHE CA 1 1
11 1811 1 1 6 PHE CB C -5.701 15.789 4.183 1.00 . A A . 6 PHE CB 1 1
11 1812 1 1 6 PHE CD1 C -6.448 14.939 6.431 1.00 . A A . 6 PHE CD1 1 1
11 1813 1 1 6 PHE CD2 C -8.106 15.700 4.894 1.00 . A A . 6 PHE CD2 1 1
11 1814 1 1 6 PHE CE1 C -7.433 14.647 7.353 1.00 . A A . 6 PHE CE1 1 1
11 1815 1 1 6 PHE CE2 C -9.095 15.410 5.813 1.00 . A A . 6 PHE CE2 1 1
11 1816 1 1 6 PHE CG C -6.772 15.469 5.190 1.00 . A A . 6 PHE CG 1 1
11 1817 1 1 6 PHE CZ C -8.758 14.883 7.044 1.00 . A A . 6 PHE CZ 1 1
11 1818 1 1 6 PHE H H -3.764 15.947 2.557 1.00 . A A . 6 PHE H 1 1
11 1819 1 1 6 PHE HA H -4.086 14.665 5.031 1.00 . A A . 6 PHE HA 1 1
11 1820 1 1 6 PHE HB2 H -5.260 16.734 4.463 1.00 . A A . 6 PHE HB2 1 1
11 1821 1 1 6 PHE HB3 H -6.175 15.895 3.217 1.00 . A A . 6 PHE HB3 1 1
11 1822 1 1 6 PHE HD1 H -5.412 14.754 6.674 1.00 . A A . 6 PHE HD1 1 1
11 1823 1 1 6 PHE HD2 H -8.371 16.112 3.931 1.00 . A A . 6 PHE HD2 1 1
11 1824 1 1 6 PHE HE1 H -7.168 14.235 8.315 1.00 . A A . 6 PHE HE1 1 1
11 1825 1 1 6 PHE HE2 H -10.131 15.595 5.569 1.00 . A A . 6 PHE HE2 1 1
11 1826 1 1 6 PHE HZ H -9.530 14.655 7.764 1.00 . A A . 6 PHE HZ 1 1
11 1827 1 1 6 PHE N N -3.609 15.130 3.074 1.00 . A A . 6 PHE N 1 1
11 1828 1 1 6 PHE O O -5.351 12.516 4.627 1.00 . A A . 6 PHE O 1 1
11 1829 1 1 7 THR C C -5.155 10.723 2.257 1.00 . A A . 7 THR C 1 1
11 1830 1 1 7 THR CA C -6.106 11.898 2.013 1.00 . A A . 7 THR CA 1 1
11 1831 1 1 7 THR CB C -6.466 11.955 0.513 1.00 . A A . 7 THR CB 1 1
11 1832 1 1 7 THR CG2 C -7.093 10.648 0.045 1.00 . A A . 7 THR CG2 1 1
11 1833 1 1 7 THR H H -5.375 13.877 1.819 1.00 . A A . 7 THR H 1 1
11 1834 1 1 7 THR HA H -7.014 11.730 2.571 1.00 . A A . 7 THR HA 1 1
11 1835 1 1 7 THR HB H -5.561 12.127 -0.053 1.00 . A A . 7 THR HB 1 1
11 1836 1 1 7 THR HG1 H -6.927 13.737 -0.196 1.00 . A A . 7 THR HG1 1 1
11 1837 1 1 7 THR HG21 H -7.249 10.686 -1.024 1.00 . A A . 7 THR HG21 1 1
11 1838 1 1 7 THR HG22 H -8.042 10.505 0.543 1.00 . A A . 7 THR HG22 1 1
11 1839 1 1 7 THR HG23 H -6.433 9.825 0.282 1.00 . A A . 7 THR HG23 1 1
11 1840 1 1 7 THR N N -5.527 13.161 2.471 1.00 . A A . 7 THR N 1 1
11 1841 1 1 7 THR O O -5.603 9.603 2.511 1.00 . A A . 7 THR O 1 1
11 1842 1 1 7 THR OG1 O -7.380 13.032 0.272 1.00 . A A . 7 THR OG1 1 1
11 1843 1 1 8 SER C C -3.079 9.183 3.691 1.00 . A A . 8 SER C 1 1
11 1844 1 1 8 SER CA C -2.831 9.945 2.388 1.00 . A A . 8 SER CA 1 1
11 1845 1 1 8 SER CB C -1.428 10.560 2.399 1.00 . A A . 8 SER CB 1 1
11 1846 1 1 8 SER H H -3.549 11.899 1.974 1.00 . A A . 8 SER H 1 1
11 1847 1 1 8 SER HA H -2.900 9.251 1.565 1.00 . A A . 8 SER HA 1 1
11 1848 1 1 8 SER HB2 H -1.270 11.106 1.481 1.00 . A A . 8 SER HB2 1 1
11 1849 1 1 8 SER HB3 H -1.339 11.233 3.238 1.00 . A A . 8 SER HB3 1 1
11 1850 1 1 8 SER HG H 0.378 9.863 2.094 1.00 . A A . 8 SER HG 1 1
11 1851 1 1 8 SER N N -3.843 10.984 2.178 1.00 . A A . 8 SER N 1 1
11 1852 1 1 8 SER O O -2.933 7.961 3.736 1.00 . A A . 8 SER O 1 1
11 1853 1 1 8 SER OG O -0.431 9.559 2.511 1.00 . A A . 8 SER OG 1 1
11 1854 1 1 9 ASP C C -4.875 8.276 5.930 1.00 . A A . 9 ASP C 1 1
11 1855 1 1 9 ASP CA C -3.746 9.303 6.040 1.00 . A A . 9 ASP CA 1 1
11 1856 1 1 9 ASP CB C -4.119 10.386 7.060 1.00 . A A . 9 ASP CB 1 1
11 1857 1 1 9 ASP CG C -4.535 9.811 8.402 1.00 . A A . 9 ASP CG 1 1
11 1858 1 1 9 ASP H H -3.568 10.879 4.636 1.00 . A A . 9 ASP H 1 1
11 1859 1 1 9 ASP HA H -2.851 8.801 6.372 1.00 . A A . 9 ASP HA 1 1
11 1860 1 1 9 ASP HB2 H -3.265 11.030 7.217 1.00 . A A . 9 ASP HB2 1 1
11 1861 1 1 9 ASP HB3 H -4.938 10.972 6.670 1.00 . A A . 9 ASP HB3 1 1
11 1862 1 1 9 ASP N N -3.463 9.910 4.741 1.00 . A A . 9 ASP N 1 1
11 1863 1 1 9 ASP O O -4.768 7.165 6.455 1.00 . A A . 9 ASP O 1 1
11 1864 1 1 9 ASP OD1 O -3.695 9.157 9.057 1.00 . A A . 9 ASP OD1 1 1
11 1865 1 1 9 ASP OD2 O -5.703 10.012 8.796 1.00 . A A . 9 ASP OD2 1 1
11 1866 1 1 10 PHE C C -6.698 6.510 4.301 1.00 . A A . 10 PHE C 1 1
11 1867 1 1 10 PHE CA C -7.103 7.773 5.049 1.00 . A A . 10 PHE CA 1 1
11 1868 1 1 10 PHE CB C -8.213 8.497 4.279 1.00 . A A . 10 PHE CB 1 1
11 1869 1 1 10 PHE CD1 C -8.643 9.878 6.341 1.00 . A A . 10 PHE CD1 1 1
11 1870 1 1 10 PHE CD2 C -9.303 10.756 4.223 1.00 . A A . 10 PHE CD2 1 1
11 1871 1 1 10 PHE CE1 C -9.122 11.013 6.964 1.00 . A A . 10 PHE CE1 1 1
11 1872 1 1 10 PHE CE2 C -9.785 11.892 4.842 1.00 . A A . 10 PHE CE2 1 1
11 1873 1 1 10 PHE CG C -8.727 9.736 4.963 1.00 . A A . 10 PHE CG 1 1
11 1874 1 1 10 PHE CZ C -9.694 12.021 6.213 1.00 . A A . 10 PHE CZ 1 1
11 1875 1 1 10 PHE H H -5.968 9.551 4.838 1.00 . A A . 10 PHE H 1 1
11 1876 1 1 10 PHE HA H -7.473 7.496 6.024 1.00 . A A . 10 PHE HA 1 1
11 1877 1 1 10 PHE HB2 H -7.836 8.787 3.310 1.00 . A A . 10 PHE HB2 1 1
11 1878 1 1 10 PHE HB3 H -9.046 7.822 4.147 1.00 . A A . 10 PHE HB3 1 1
11 1879 1 1 10 PHE HD1 H -8.196 9.090 6.929 1.00 . A A . 10 PHE HD1 1 1
11 1880 1 1 10 PHE HD2 H -9.374 10.656 3.150 1.00 . A A . 10 PHE HD2 1 1
11 1881 1 1 10 PHE HE1 H -9.050 11.113 8.037 1.00 . A A . 10 PHE HE1 1 1
11 1882 1 1 10 PHE HE2 H -10.230 12.680 4.253 1.00 . A A . 10 PHE HE2 1 1
11 1883 1 1 10 PHE HZ H -10.071 12.908 6.699 1.00 . A A . 10 PHE HZ 1 1
11 1884 1 1 10 PHE N N -5.951 8.655 5.237 1.00 . A A . 10 PHE N 1 1
11 1885 1 1 10 PHE O O -7.059 5.400 4.690 1.00 . A A . 10 PHE O 1 1
11 1886 1 1 11 . C C -4.056 5.150 2.835 1.00 . A A . 11 PH8 C 1 1
11 1887 1 1 11 . CA C -5.474 5.572 2.419 1.00 . A A . 11 PH8 CA 1 1
11 1888 1 1 11 . CB C -5.520 5.957 0.934 1.00 . A A . 11 PH8 CB 1 1
11 1889 1 1 11 . CD1 C -6.884 3.749 -3.013 1.00 . A A . 11 PH8 CD1 1 1
11 1890 1 1 11 . CD2 C -8.053 5.186 -1.510 1.00 . A A . 11 PH8 CD2 1 1
11 1891 1 1 11 . CE1 C -8.087 3.286 -3.511 1.00 . A A . 11 PH8 CE1 1 1
11 1892 1 1 11 . CE2 C -9.258 4.727 -2.005 1.00 . A A . 11 PH8 CE2 1 1
11 1893 1 1 11 . CG C -6.852 4.704 -2.008 1.00 . A A . 11 PH8 CG 1 1
11 1894 1 1 11 . CI C -5.278 4.797 -0.022 1.00 . A A . 11 PH8 CI 1 1
11 1895 1 1 11 . CJ C -5.541 5.204 -1.466 1.00 . A A . 11 PH8 CJ 1 1
11 1896 1 1 11 . CZ C -9.276 3.776 -3.006 1.00 . A A . 11 PH8 CZ 1 1
11 1897 1 1 11 . HA H -6.145 4.743 2.586 1.00 . A A . 11 PH8 HA 1 1
11 1898 1 1 11 . HB H -6.491 6.375 0.715 1.00 . A A . 11 PH8 HB 1 1
11 1899 1 1 11 . HBA H -4.767 6.709 0.748 1.00 . A A . 11 PH8 HBA 1 1
11 1900 1 1 11 . HD1 H -5.955 3.365 -3.409 1.00 . A A . 11 PH8 HD1 1 1
11 1901 1 1 11 . HD2 H -8.041 5.931 -0.728 1.00 . A A . 11 PH8 HD2 1 1
11 1902 1 1 11 . HE1 H -8.098 2.543 -4.294 1.00 . A A . 11 PH8 HE1 1 1
11 1903 1 1 11 . HE2 H -10.186 5.111 -1.608 1.00 . A A . 11 PH8 HE2 1 1
11 1904 1 1 11 . HI H -4.252 4.476 0.068 1.00 . A A . 11 PH8 HI 1 1
11 1905 1 1 11 . HIA H -5.937 3.983 0.240 1.00 . A A . 11 PH8 HIA 1 1
11 1906 1 1 11 . HJ H -4.749 4.811 -2.086 1.00 . A A . 11 PH8 HJ 1 1
11 1907 1 1 11 . HJA H -5.542 6.282 -1.528 1.00 . A A . 11 PH8 HJA 1 1
11 1908 1 1 11 . HN H -5.684 7.604 2.975 1.00 . A A . 11 PH8 HN 1 1
11 1909 1 1 11 . HZ H -10.217 3.415 -3.393 1.00 . A A . 11 PH8 HZ 1 1
11 1910 1 1 11 . N N -5.940 6.692 3.227 1.00 . A A . 11 PH8 N 1 1
11 1911 1 1 11 . O O -3.237 4.772 1.996 1.00 . A A . 11 PH8 O 1 1
11 1912 1 1 12 NH2 HN1 H -4.455 5.515 4.759 1.00 . A A . 12 NH2 HN1 1 1
11 1913 1 1 12 NH2 HN2 H -2.866 4.932 4.417 1.00 . A A . 12 NH2 HN2 1 1
11 1914 1 1 12 NH2 N N -3.764 5.205 4.135 1.00 . A A . 12 NH2 N 1 1
12 1915 1 1 1 HIS C C 3.169 17.632 6.088 1.00 . A A . 1 HIS C 1 1
12 1916 1 1 1 HIS CA C 3.847 17.449 7.445 1.00 . A A . 1 HIS CA 1 1
12 1917 1 1 1 HIS CB C 2.917 17.925 8.568 1.00 . A A . 1 HIS CB 1 1
12 1918 1 1 1 HIS CD2 C 0.331 17.719 8.434 1.00 . A A . 1 HIS CD2 1 1
12 1919 1 1 1 HIS CE1 C 0.168 15.546 8.676 1.00 . A A . 1 HIS CE1 1 1
12 1920 1 1 1 HIS CG C 1.587 17.232 8.576 1.00 . A A . 1 HIS CG 1 1
12 1921 1 1 1 HIS H1 H 5.591 18.032 8.437 1.00 . A A . 1 HIS H1 1 1
12 1922 1 1 1 HIS H2 H 4.945 19.227 7.428 1.00 . A A . 1 HIS H2 1 1
12 1923 1 1 1 HIS H3 H 5.764 17.907 6.758 1.00 . A A . 1 HIS H3 1 1
12 1924 1 1 1 HIS HA H 4.064 16.401 7.589 1.00 . A A . 1 HIS HA 1 1
12 1925 1 1 1 HIS HB2 H 3.392 17.745 9.521 1.00 . A A . 1 HIS HB2 1 1
12 1926 1 1 1 HIS HB3 H 2.741 18.985 8.454 1.00 . A A . 1 HIS HB3 1 1
12 1927 1 1 1 HIS HD1 H 2.181 15.228 8.855 1.00 . A A . 1 HIS HD1 1 1
12 1928 1 1 1 HIS HD2 H 0.057 18.756 8.294 1.00 . A A . 1 HIS HD2 1 1
12 1929 1 1 1 HIS HE1 H -0.238 14.549 8.761 1.00 . A A . 1 HIS HE1 1 1
12 1930 1 1 1 HIS HE2 H -1.504 16.695 8.400 1.00 . A A . 1 HIS HE2 1 1
12 1931 1 1 1 HIS N N 5.125 18.207 7.522 1.00 . A A . 1 HIS N 1 1
12 1932 1 1 1 HIS ND1 N 1.449 15.867 8.728 1.00 . A A . 1 HIS ND1 1 1
12 1933 1 1 1 HIS NE2 N -0.530 16.651 8.500 1.00 . A A . 1 HIS NE2 1 1
12 1934 1 1 1 HIS O O 3.229 18.712 5.497 1.00 . A A . 1 HIS O 1 1
12 1935 1 1 2 . C C 0.511 17.378 4.420 1.00 . A A . 2 KCY C 1 1
12 1936 1 1 2 . CA C 1.806 16.564 4.329 1.00 . A A . 2 KCY CA 1 1
12 1937 1 1 2 . CB C 2.702 17.104 3.201 1.00 . A A . 2 KCY CB 1 1
12 1938 1 1 2 . CG C 2.154 16.863 1.797 1.00 . A A . 2 KCY CG 1 1
12 1939 1 1 2 . HA H 1.545 15.541 4.104 1.00 . A A . 2 KCY HA 1 1
12 1940 1 1 2 . HB H 2.825 18.168 3.333 1.00 . A A . 2 KCY HB 1 1
12 1941 1 1 2 . HBA H 3.671 16.630 3.270 1.00 . A A . 2 KCY HBA 1 1
12 1942 1 1 2 . HG H 2.071 15.798 1.632 1.00 . A A . 2 KCY HG 1 1
12 1943 1 1 2 . HGA H 2.836 17.289 1.077 1.00 . A A . 2 KCY HGA 1 1
12 1944 1 1 2 . HN H 2.514 15.745 6.146 1.00 . A A . 2 KCY HN 1 1
12 1945 1 1 2 . N N 2.520 16.563 5.611 1.00 . A A . 2 KCY N 1 1
12 1946 1 1 2 . O O -0.570 16.857 4.140 1.00 . A A . 2 KCY O 1 1
12 1947 1 1 2 . SD S 0.514 17.612 1.533 1.00 . A A . 2 KCY SD 1 1
12 1948 1 1 3 GLU C C -1.127 19.814 3.546 1.00 . A A . 3 GLU C 1 1
12 1949 1 1 3 GLU CA C -0.541 19.525 4.928 1.00 . A A . 3 GLU CA 1 1
12 1950 1 1 3 GLU CB C -0.156 20.834 5.628 1.00 . A A . 3 GLU CB 1 1
12 1951 1 1 3 GLU CD C -0.912 23.083 6.505 1.00 . A A . 3 GLU CD 1 1
12 1952 1 1 3 GLU CG C -1.330 21.771 5.868 1.00 . A A . 3 GLU CG 1 1
12 1953 1 1 3 GLU H H 1.512 19.007 5.018 1.00 . A A . 3 GLU H 1 1
12 1954 1 1 3 GLU HA H -1.282 19.011 5.522 1.00 . A A . 3 GLU HA 1 1
12 1955 1 1 3 GLU HB2 H 0.289 20.599 6.583 1.00 . A A . 3 GLU HB2 1 1
12 1956 1 1 3 GLU HB3 H 0.572 21.352 5.021 1.00 . A A . 3 GLU HB3 1 1
12 1957 1 1 3 GLU HG2 H -1.804 21.984 4.921 1.00 . A A . 3 GLU HG2 1 1
12 1958 1 1 3 GLU HG3 H -2.038 21.280 6.520 1.00 . A A . 3 GLU HG3 1 1
12 1959 1 1 3 GLU N N 0.625 18.650 4.810 1.00 . A A . 3 GLU N 1 1
12 1960 1 1 3 GLU O O -0.589 20.626 2.789 1.00 . A A . 3 GLU O 1 1
12 1961 1 1 3 GLU OE1 O -0.151 23.841 5.864 1.00 . A A . 3 GLU OE1 1 1
12 1962 1 1 3 GLU OE2 O -1.342 23.353 7.646 1.00 . A A . 3 GLU OE2 1 1
12 1963 1 1 4 GLY C C -3.106 17.970 1.221 1.00 . A A . 4 GLY C 1 1
12 1964 1 1 4 GLY CA C -2.860 19.298 1.924 1.00 . A A . 4 GLY CA 1 1
12 1965 1 1 4 GLY H H -2.590 18.482 3.862 1.00 . A A . 4 GLY H 1 1
12 1966 1 1 4 GLY HA2 H -3.806 19.800 2.064 1.00 . A A . 4 GLY HA2 1 1
12 1967 1 1 4 GLY HA3 H -2.227 19.911 1.299 1.00 . A A . 4 GLY HA3 1 1
12 1968 1 1 4 GLY N N -2.221 19.126 3.221 1.00 . A A . 4 GLY N 1 1
12 1969 1 1 4 GLY O O -3.973 17.873 0.352 1.00 . A A . 4 GLY O 1 1
12 1970 1 1 5 . C C -3.216 14.707 2.042 1.00 . A A . 5 HCS C 1 1
12 1971 1 1 5 . CA C -2.475 15.605 1.054 1.00 . A A . 5 HCS CA 1 1
12 1972 1 1 5 . CB C -1.090 15.016 0.736 1.00 . A A . 5 HCS CB 1 1
12 1973 1 1 5 . CG C -0.443 15.555 -0.536 1.00 . A A . 5 HCS CG 1 1
12 1974 1 1 5 . H H -1.696 17.086 2.331 1.00 . A A . 5 HCS H 1 1
12 1975 1 1 5 . HB2 H -0.428 15.225 1.562 1.00 . A A . 5 HCS HB2 1 1
12 1976 1 1 5 . HB3 H -1.187 13.944 0.634 1.00 . A A . 5 HCS HB3 1 1
12 1977 1 1 5 . HCA H -3.051 15.677 0.144 1.00 . A A . 5 HCS HCA 1 1
12 1978 1 1 5 . HG2 H 0.423 14.952 -0.765 1.00 . A A . 5 HCS HG2 1 1
12 1979 1 1 5 . HG3 H -1.155 15.476 -1.344 1.00 . A A . 5 HCS HG3 1 1
12 1980 1 1 5 . N N -2.347 16.944 1.618 1.00 . A A . 5 HCS N 1 1
12 1981 1 1 5 . O O -2.807 13.573 2.303 1.00 . A A . 5 HCS O 1 1
12 1982 1 1 5 . SD S 0.105 17.297 -0.431 1.00 . A A . 5 HCS SD 1 1
12 1983 1 1 6 PHE C C -5.446 13.107 3.132 1.00 . A A . 6 PHE C 1 1
12 1984 1 1 6 PHE CA C -5.115 14.531 3.583 1.00 . A A . 6 PHE CA 1 1
12 1985 1 1 6 PHE CB C -6.408 15.300 3.874 1.00 . A A . 6 PHE CB 1 1
12 1986 1 1 6 PHE CD1 C -5.663 17.709 3.970 1.00 . A A . 6 PHE CD1 1 1
12 1987 1 1 6 PHE CD2 C -6.563 16.716 5.944 1.00 . A A . 6 PHE CD2 1 1
12 1988 1 1 6 PHE CE1 C -5.481 18.899 4.649 1.00 . A A . 6 PHE CE1 1 1
12 1989 1 1 6 PHE CE2 C -6.382 17.904 6.626 1.00 . A A . 6 PHE CE2 1 1
12 1990 1 1 6 PHE CG C -6.207 16.603 4.608 1.00 . A A . 6 PHE CG 1 1
12 1991 1 1 6 PHE CZ C -5.840 18.996 5.978 1.00 . A A . 6 PHE CZ 1 1
12 1992 1 1 6 PHE H H -4.559 16.152 2.348 1.00 . A A . 6 PHE H 1 1
12 1993 1 1 6 PHE HA H -4.539 14.472 4.495 1.00 . A A . 6 PHE HA 1 1
12 1994 1 1 6 PHE HB2 H -6.903 15.521 2.940 1.00 . A A . 6 PHE HB2 1 1
12 1995 1 1 6 PHE HB3 H -7.048 14.680 4.472 1.00 . A A . 6 PHE HB3 1 1
12 1996 1 1 6 PHE HD1 H -5.384 17.637 2.930 1.00 . A A . 6 PHE HD1 1 1
12 1997 1 1 6 PHE HD2 H -6.987 15.863 6.453 1.00 . A A . 6 PHE HD2 1 1
12 1998 1 1 6 PHE HE1 H -5.056 19.751 4.140 1.00 . A A . 6 PHE HE1 1 1
12 1999 1 1 6 PHE HE2 H -6.664 17.979 7.666 1.00 . A A . 6 PHE HE2 1 1
12 2000 1 1 6 PHE HZ H -5.698 19.926 6.510 1.00 . A A . 6 PHE HZ 1 1
12 2001 1 1 6 PHE N N -4.303 15.243 2.600 1.00 . A A . 6 PHE N 1 1
12 2002 1 1 6 PHE O O -5.378 12.172 3.932 1.00 . A A . 6 PHE O 1 1
12 2003 1 1 7 THR C C -4.973 10.644 1.500 1.00 . A A . 7 THR C 1 1
12 2004 1 1 7 THR CA C -6.133 11.626 1.317 1.00 . A A . 7 THR CA 1 1
12 2005 1 1 7 THR CB C -6.530 11.694 -0.178 1.00 . A A . 7 THR CB 1 1
12 2006 1 1 7 THR CG2 C -5.421 12.309 -1.024 1.00 . A A . 7 THR CG2 1 1
12 2007 1 1 7 THR H H -5.835 13.726 1.263 1.00 . A A . 7 THR H 1 1
12 2008 1 1 7 THR HA H -6.981 11.256 1.871 1.00 . A A . 7 THR HA 1 1
12 2009 1 1 7 THR HB H -7.413 12.311 -0.269 1.00 . A A . 7 THR HB 1 1
12 2010 1 1 7 THR HG1 H -7.777 10.301 -0.816 1.00 . A A . 7 THR HG1 1 1
12 2011 1 1 7 THR HG21 H -4.675 11.559 -1.242 1.00 . A A . 7 THR HG21 1 1
12 2012 1 1 7 THR HG22 H -4.965 13.124 -0.483 1.00 . A A . 7 THR HG22 1 1
12 2013 1 1 7 THR HG23 H -5.838 12.680 -1.949 1.00 . A A . 7 THR HG23 1 1
12 2014 1 1 7 THR N N -5.799 12.945 1.854 1.00 . A A . 7 THR N 1 1
12 2015 1 1 7 THR O O -5.167 9.536 2.004 1.00 . A A . 7 THR O 1 1
12 2016 1 1 7 THR OG1 O -6.832 10.380 -0.667 1.00 . A A . 7 THR OG1 1 1
12 2017 1 1 8 SER C C -2.264 9.998 2.738 1.00 . A A . 8 SER C 1 1
12 2018 1 1 8 SER CA C -2.579 10.219 1.260 1.00 . A A . 8 SER CA 1 1
12 2019 1 1 8 SER CB C -1.376 10.853 0.554 1.00 . A A . 8 SER CB 1 1
12 2020 1 1 8 SER H H -3.667 11.964 0.744 1.00 . A A . 8 SER H 1 1
12 2021 1 1 8 SER HA H -2.793 9.264 0.804 1.00 . A A . 8 SER HA 1 1
12 2022 1 1 8 SER HB2 H -1.611 10.999 -0.490 1.00 . A A . 8 SER HB2 1 1
12 2023 1 1 8 SER HB3 H -1.156 11.807 1.010 1.00 . A A . 8 SER HB3 1 1
12 2024 1 1 8 SER HG H 0.399 10.416 1.259 1.00 . A A . 8 SER HG 1 1
12 2025 1 1 8 SER N N -3.765 11.062 1.115 1.00 . A A . 8 SER N 1 1
12 2026 1 1 8 SER O O -1.918 8.890 3.152 1.00 . A A . 8 SER O 1 1
12 2027 1 1 8 SER OG O -0.230 10.023 0.650 1.00 . A A . 8 SER OG 1 1
12 2028 1 1 9 ASP C C -3.118 10.063 5.670 1.00 . A A . 9 ASP C 1 1
12 2029 1 1 9 ASP CA C -2.149 11.017 4.962 1.00 . A A . 9 ASP CA 1 1
12 2030 1 1 9 ASP CB C -2.264 12.421 5.566 1.00 . A A . 9 ASP CB 1 1
12 2031 1 1 9 ASP CG C -1.955 12.447 7.053 1.00 . A A . 9 ASP CG 1 1
12 2032 1 1 9 ASP H H -2.687 11.914 3.125 1.00 . A A . 9 ASP H 1 1
12 2033 1 1 9 ASP HA H -1.141 10.656 5.108 1.00 . A A . 9 ASP HA 1 1
12 2034 1 1 9 ASP HB2 H -1.571 13.079 5.064 1.00 . A A . 9 ASP HB2 1 1
12 2035 1 1 9 ASP HB3 H -3.270 12.785 5.420 1.00 . A A . 9 ASP HB3 1 1
12 2036 1 1 9 ASP N N -2.400 11.066 3.525 1.00 . A A . 9 ASP N 1 1
12 2037 1 1 9 ASP O O -2.795 9.531 6.735 1.00 . A A . 9 ASP O 1 1
12 2038 1 1 9 ASP OD1 O -0.810 12.118 7.429 1.00 . A A . 9 ASP OD1 1 1
12 2039 1 1 9 ASP OD2 O -2.860 12.794 7.840 1.00 . A A . 9 ASP OD2 1 1
12 2040 1 1 10 PHE C C -4.702 7.616 6.048 1.00 . A A . 10 PHE C 1 1
12 2041 1 1 10 PHE CA C -5.313 8.965 5.662 1.00 . A A . 10 PHE CA 1 1
12 2042 1 1 10 PHE CB C -6.472 8.758 4.680 1.00 . A A . 10 PHE CB 1 1
12 2043 1 1 10 PHE CD1 C -8.188 8.183 6.428 1.00 . A A . 10 PHE CD1 1 1
12 2044 1 1 10 PHE CD2 C -8.018 6.786 4.502 1.00 . A A . 10 PHE CD2 1 1
12 2045 1 1 10 PHE CE1 C -9.207 7.388 6.918 1.00 . A A . 10 PHE CE1 1 1
12 2046 1 1 10 PHE CE2 C -9.036 5.988 4.988 1.00 . A A . 10 PHE CE2 1 1
12 2047 1 1 10 PHE CG C -7.581 7.891 5.215 1.00 . A A . 10 PHE CG 1 1
12 2048 1 1 10 PHE CZ C -9.631 6.289 6.197 1.00 . A A . 10 PHE CZ 1 1
12 2049 1 1 10 PHE H H -4.502 10.300 4.225 1.00 . A A . 10 PHE H 1 1
12 2050 1 1 10 PHE HA H -5.690 9.442 6.554 1.00 . A A . 10 PHE HA 1 1
12 2051 1 1 10 PHE HB2 H -6.897 9.719 4.432 1.00 . A A . 10 PHE HB2 1 1
12 2052 1 1 10 PHE HB3 H -6.093 8.296 3.780 1.00 . A A . 10 PHE HB3 1 1
12 2053 1 1 10 PHE HD1 H -7.857 9.042 6.992 1.00 . A A . 10 PHE HD1 1 1
12 2054 1 1 10 PHE HD2 H -7.553 6.548 3.556 1.00 . A A . 10 PHE HD2 1 1
12 2055 1 1 10 PHE HE1 H -9.671 7.626 7.863 1.00 . A A . 10 PHE HE1 1 1
12 2056 1 1 10 PHE HE2 H -9.367 5.129 4.422 1.00 . A A . 10 PHE HE2 1 1
12 2057 1 1 10 PHE HZ H -10.427 5.667 6.578 1.00 . A A . 10 PHE HZ 1 1
12 2058 1 1 10 PHE N N -4.302 9.849 5.075 1.00 . A A . 10 PHE N 1 1
12 2059 1 1 10 PHE O O -5.111 7.002 7.035 1.00 . A A . 10 PHE O 1 1
12 2060 1 1 11 . C C -1.571 6.002 5.077 1.00 . A A . 11 PH8 C 1 1
12 2061 1 1 11 . CA C -3.024 5.918 5.550 1.00 . A A . 11 PH8 CA 1 1
12 2062 1 1 11 . CB C -3.760 4.754 4.873 1.00 . A A . 11 PH8 CB 1 1
12 2063 1 1 11 . CD1 C -5.030 0.835 6.536 1.00 . A A . 11 PH8 CD1 1 1
12 2064 1 1 11 . CD2 C -6.461 2.463 5.540 1.00 . A A . 11 PH8 CD2 1 1
12 2065 1 1 11 . CE1 C -6.055 0.445 7.378 1.00 . A A . 11 PH8 CE1 1 1
12 2066 1 1 11 . CE2 C -7.489 2.077 6.379 1.00 . A A . 11 PH8 CE2 1 1
12 2067 1 1 11 . CG C -5.221 1.847 5.608 1.00 . A A . 11 PH8 CG 1 1
12 2068 1 1 11 . CI C -3.235 3.381 5.265 1.00 . A A . 11 PH8 CI 1 1
12 2069 1 1 11 . CJ C -4.103 2.269 4.694 1.00 . A A . 11 PH8 CJ 1 1
12 2070 1 1 11 . CZ C -7.286 1.067 7.300 1.00 . A A . 11 PH8 CZ 1 1
12 2071 1 1 11 . HA H -3.029 5.764 6.619 1.00 . A A . 11 PH8 HA 1 1
12 2072 1 1 11 . HB H -4.805 4.804 5.140 1.00 . A A . 11 PH8 HB 1 1
12 2073 1 1 11 . HBA H -3.667 4.859 3.803 1.00 . A A . 11 PH8 HBA 1 1
12 2074 1 1 11 . HD1 H -4.068 0.348 6.599 1.00 . A A . 11 PH8 HD1 1 1
12 2075 1 1 11 . HD2 H -6.622 3.253 4.820 1.00 . A A . 11 PH8 HD2 1 1
12 2076 1 1 11 . HE1 H -5.893 -0.345 8.097 1.00 . A A . 11 PH8 HE1 1 1
12 2077 1 1 11 . HE2 H -8.451 2.565 6.316 1.00 . A A . 11 PH8 HE2 1 1
12 2078 1 1 11 . HI H -2.230 3.268 4.888 1.00 . A A . 11 PH8 HI 1 1
12 2079 1 1 11 . HIA H -3.229 3.302 6.343 1.00 . A A . 11 PH8 HIA 1 1
12 2080 1 1 11 . HJ H -3.480 1.408 4.503 1.00 . A A . 11 PH8 HJ 1 1
12 2081 1 1 11 . HJA H -4.537 2.611 3.766 1.00 . A A . 11 PH8 HJA 1 1
12 2082 1 1 11 . HN H -3.418 7.719 4.516 1.00 . A A . 11 PH8 HN 1 1
12 2083 1 1 11 . HZ H -8.088 0.765 7.957 1.00 . A A . 11 PH8 HZ 1 1
12 2084 1 1 11 . N N -3.708 7.176 5.279 1.00 . A A . 11 PH8 N 1 1
12 2085 1 1 11 . O O -1.073 5.112 4.385 1.00 . A A . 11 PH8 O 1 1
12 2086 1 1 12 NH2 HN1 H -1.351 7.754 6.007 1.00 . A A . 12 NH2 HN1 1 1
12 2087 1 1 12 NH2 HN2 H 0.043 7.165 5.168 1.00 . A A . 12 NH2 HN2 1 1
12 2088 1 1 12 NH2 N N -0.890 7.083 5.455 1.00 . A A . 12 NH2 N 1 1
13 2089 1 1 1 HIS C C 2.423 17.334 6.236 1.00 . A A . 1 HIS C 1 1
13 2090 1 1 1 HIS CA C 2.476 17.271 7.762 1.00 . A A . 1 HIS CA 1 1
13 2091 1 1 1 HIS CB C 3.512 16.239 8.220 1.00 . A A . 1 HIS CB 1 1
13 2092 1 1 1 HIS CD2 C 3.473 15.093 10.548 1.00 . A A . 1 HIS CD2 1 1
13 2093 1 1 1 HIS CE1 C 4.013 16.832 11.768 1.00 . A A . 1 HIS CE1 1 1
13 2094 1 1 1 HIS CG C 3.643 16.143 9.709 1.00 . A A . 1 HIS CG 1 1
13 2095 1 1 1 HIS H1 H 0.999 15.880 8.267 1.00 . A A . 1 HIS H1 1 1
13 2096 1 1 1 HIS H2 H 0.389 17.390 7.817 1.00 . A A . 1 HIS H2 1 1
13 2097 1 1 1 HIS H3 H 1.103 17.187 9.335 1.00 . A A . 1 HIS H3 1 1
13 2098 1 1 1 HIS HA H 2.754 18.242 8.141 1.00 . A A . 1 HIS HA 1 1
13 2099 1 1 1 HIS HB2 H 3.228 15.265 7.848 1.00 . A A . 1 HIS HB2 1 1
13 2100 1 1 1 HIS HB3 H 4.478 16.505 7.817 1.00 . A A . 1 HIS HB3 1 1
13 2101 1 1 1 HIS HD1 H 4.169 18.126 10.191 1.00 . A A . 1 HIS HD1 1 1
13 2102 1 1 1 HIS HD2 H 3.205 14.084 10.267 1.00 . A A . 1 HIS HD2 1 1
13 2103 1 1 1 HIS HE1 H 4.248 17.461 12.614 1.00 . A A . 1 HIS HE1 1 1
13 2104 1 1 1 HIS HE2 H 3.566 15.036 12.645 1.00 . A A . 1 HIS HE2 1 1
13 2105 1 1 1 HIS N N 1.149 16.906 8.335 1.00 . A A . 1 HIS N 1 1
13 2106 1 1 1 HIS ND1 N 3.980 17.216 10.506 1.00 . A A . 1 HIS ND1 1 1
13 2107 1 1 1 HIS NE2 N 3.708 15.549 11.822 1.00 . A A . 1 HIS NE2 1 1
13 2108 1 1 1 HIS O O 2.900 18.296 5.632 1.00 . A A . 1 HIS O 1 1
13 2109 1 1 2 . C C 0.851 17.406 3.672 1.00 . A A . 2 KCY C 1 1
13 2110 1 1 2 . CA C 1.685 16.233 4.170 1.00 . A A . 2 KCY CA 1 1
13 2111 1 1 2 . CB C 3.064 16.225 3.492 1.00 . A A . 2 KCY CB 1 1
13 2112 1 1 2 . CG C 3.041 15.795 2.030 1.00 . A A . 2 KCY CG 1 1
13 2113 1 1 2 . HA H 1.164 15.320 3.930 1.00 . A A . 2 KCY HA 1 1
13 2114 1 1 2 . HB H 3.480 17.220 3.541 1.00 . A A . 2 KCY HB 1 1
13 2115 1 1 2 . HBA H 3.711 15.550 4.032 1.00 . A A . 2 KCY HBA 1 1
13 2116 1 1 2 . HG H 3.995 16.029 1.581 1.00 . A A . 2 KCY HG 1 1
13 2117 1 1 2 . HGA H 2.258 16.333 1.518 1.00 . A A . 2 KCY HGA 1 1
13 2118 1 1 2 . HN H 1.460 15.583 6.169 1.00 . A A . 2 KCY HN 1 1
13 2119 1 1 2 . N N 1.826 16.306 5.624 1.00 . A A . 2 KCY N 1 1
13 2120 1 1 2 . O O -0.207 17.211 3.077 1.00 . A A . 2 KCY O 1 1
13 2121 1 1 2 . SD S 2.732 14.009 1.817 1.00 . A A . 2 KCY SD 1 1
13 2122 1 1 3 GLU C C 0.086 19.755 2.125 1.00 . A A . 3 GLU C 1 1
13 2123 1 1 3 GLU CA C 0.625 19.844 3.556 1.00 . A A . 3 GLU CA 1 1
13 2124 1 1 3 GLU CB C 1.553 21.060 3.706 1.00 . A A . 3 GLU CB 1 1
13 2125 1 1 3 GLU CD C 3.762 22.152 3.111 1.00 . A A . 3 GLU CD 1 1
13 2126 1 1 3 GLU CG C 2.860 20.944 2.930 1.00 . A A . 3 GLU CG 1 1
13 2127 1 1 3 GLU H H 2.166 18.695 4.449 1.00 . A A . 3 GLU H 1 1
13 2128 1 1 3 GLU HA H -0.212 19.966 4.226 1.00 . A A . 3 GLU HA 1 1
13 2129 1 1 3 GLU HB2 H 1.032 21.939 3.359 1.00 . A A . 3 GLU HB2 1 1
13 2130 1 1 3 GLU HB3 H 1.792 21.184 4.752 1.00 . A A . 3 GLU HB3 1 1
13 2131 1 1 3 GLU HG2 H 3.389 20.067 3.270 1.00 . A A . 3 GLU HG2 1 1
13 2132 1 1 3 GLU HG3 H 2.632 20.840 1.880 1.00 . A A . 3 GLU HG3 1 1
13 2133 1 1 3 GLU N N 1.327 18.621 3.949 1.00 . A A . 3 GLU N 1 1
13 2134 1 1 3 GLU O O 0.838 19.847 1.152 1.00 . A A . 3 GLU O 1 1
13 2135 1 1 3 GLU OE1 O 3.351 23.266 2.721 1.00 . A A . 3 GLU OE1 1 1
13 2136 1 1 3 GLU OE2 O 4.880 21.983 3.641 1.00 . A A . 3 GLU OE2 1 1
13 2137 1 1 4 GLY C C -2.559 18.108 0.523 1.00 . A A . 4 GLY C 1 1
13 2138 1 1 4 GLY CA C -1.878 19.452 0.719 1.00 . A A . 4 GLY CA 1 1
13 2139 1 1 4 GLY H H -1.767 19.483 2.834 1.00 . A A . 4 GLY H 1 1
13 2140 1 1 4 GLY HA2 H -2.619 20.234 0.631 1.00 . A A . 4 GLY HA2 1 1
13 2141 1 1 4 GLY HA3 H -1.137 19.584 -0.056 1.00 . A A . 4 GLY HA3 1 1
13 2142 1 1 4 GLY N N -1.231 19.563 2.018 1.00 . A A . 4 GLY N 1 1
13 2143 1 1 4 GLY O O -3.656 18.036 -0.032 1.00 . A A . 4 GLY O 1 1
13 2144 1 1 5 . C C -2.852 15.146 2.241 1.00 . A A . 5 HCS C 1 1
13 2145 1 1 5 . CA C -2.429 15.685 0.871 1.00 . A A . 5 HCS CA 1 1
13 2146 1 1 5 . CB C -1.347 14.782 0.268 1.00 . A A . 5 HCS CB 1 1
13 2147 1 1 5 . CG C -0.142 14.625 1.183 1.00 . A A . 5 HCS CG 1 1
13 2148 1 1 5 . H H -1.031 17.179 1.417 1.00 . A A . 5 HCS H 1 1
13 2149 1 1 5 . HB2 H -1.766 13.806 0.081 1.00 . A A . 5 HCS HB2 1 1
13 2150 1 1 5 . HB3 H -1.012 15.210 -0.665 1.00 . A A . 5 HCS HB3 1 1
13 2151 1 1 5 . HCA H -3.286 15.708 0.222 1.00 . A A . 5 HCS HCA 1 1
13 2152 1 1 5 . HG2 H 0.129 15.593 1.571 1.00 . A A . 5 HCS HG2 1 1
13 2153 1 1 5 . HG3 H -0.410 13.973 2.003 1.00 . A A . 5 HCS HG3 1 1
13 2154 1 1 5 . N N -1.901 17.045 0.984 1.00 . A A . 5 HCS N 1 1
13 2155 1 1 5 . O O -2.813 13.937 2.481 1.00 . A A . 5 HCS O 1 1
13 2156 1 1 5 . SD S 1.321 13.926 0.360 1.00 . A A . 5 HCS SD 1 1
13 2157 1 1 6 PHE C C -4.613 14.495 4.497 1.00 . A A . 6 PHE C 1 1
13 2158 1 1 6 PHE CA C -3.664 15.694 4.492 1.00 . A A . 6 PHE CA 1 1
13 2159 1 1 6 PHE CB C -4.323 16.896 5.179 1.00 . A A . 6 PHE CB 1 1
13 2160 1 1 6 PHE CD1 C -3.741 16.175 7.516 1.00 . A A . 6 PHE CD1 1 1
13 2161 1 1 6 PHE CD2 C -5.969 16.904 7.076 1.00 . A A . 6 PHE CD2 1 1
13 2162 1 1 6 PHE CE1 C -4.072 15.951 8.839 1.00 . A A . 6 PHE CE1 1 1
13 2163 1 1 6 PHE CE2 C -6.305 16.683 8.398 1.00 . A A . 6 PHE CE2 1 1
13 2164 1 1 6 PHE CG C -4.684 16.654 6.620 1.00 . A A . 6 PHE CG 1 1
13 2165 1 1 6 PHE CZ C -5.356 16.205 9.281 1.00 . A A . 6 PHE CZ 1 1
13 2166 1 1 6 PHE H H -3.255 16.997 2.870 1.00 . A A . 6 PHE H 1 1
13 2167 1 1 6 PHE HA H -2.773 15.428 5.042 1.00 . A A . 6 PHE HA 1 1
13 2168 1 1 6 PHE HB2 H -3.644 17.735 5.146 1.00 . A A . 6 PHE HB2 1 1
13 2169 1 1 6 PHE HB3 H -5.228 17.153 4.647 1.00 . A A . 6 PHE HB3 1 1
13 2170 1 1 6 PHE HD1 H -2.735 15.977 7.173 1.00 . A A . 6 PHE HD1 1 1
13 2171 1 1 6 PHE HD2 H -6.712 17.278 6.387 1.00 . A A . 6 PHE HD2 1 1
13 2172 1 1 6 PHE HE1 H -3.328 15.578 9.527 1.00 . A A . 6 PHE HE1 1 1
13 2173 1 1 6 PHE HE2 H -7.310 16.883 8.741 1.00 . A A . 6 PHE HE2 1 1
13 2174 1 1 6 PHE HZ H -5.618 16.031 10.314 1.00 . A A . 6 PHE HZ 1 1
13 2175 1 1 6 PHE N N -3.249 16.055 3.132 1.00 . A A . 6 PHE N 1 1
13 2176 1 1 6 PHE O O -4.375 13.513 5.203 1.00 . A A . 6 PHE O 1 1
13 2177 1 1 7 THR C C -6.113 12.323 2.785 1.00 . A A . 7 THR C 1 1
13 2178 1 1 7 THR CA C -6.652 13.490 3.616 1.00 . A A . 7 THR CA 1 1
13 2179 1 1 7 THR CB C -7.985 13.973 3.002 1.00 . A A . 7 THR CB 1 1
13 2180 1 1 7 THR CG2 C -9.011 12.847 2.975 1.00 . A A . 7 THR CG2 1 1
13 2181 1 1 7 THR H H -5.810 15.381 3.160 1.00 . A A . 7 THR H 1 1
13 2182 1 1 7 THR HA H -6.850 13.141 4.618 1.00 . A A . 7 THR HA 1 1
13 2183 1 1 7 THR HB H -7.801 14.297 1.988 1.00 . A A . 7 THR HB 1 1
13 2184 1 1 7 THR HG1 H -8.560 14.832 4.686 1.00 . A A . 7 THR HG1 1 1
13 2185 1 1 7 THR HG21 H -9.981 13.250 2.723 1.00 . A A . 7 THR HG21 1 1
13 2186 1 1 7 THR HG22 H -9.056 12.379 3.947 1.00 . A A . 7 THR HG22 1 1
13 2187 1 1 7 THR HG23 H -8.722 12.114 2.235 1.00 . A A . 7 THR HG23 1 1
13 2188 1 1 7 THR N N -5.678 14.575 3.704 1.00 . A A . 7 THR N 1 1
13 2189 1 1 7 THR O O -6.398 11.160 3.080 1.00 . A A . 7 THR O 1 1
13 2190 1 1 7 THR OG1 O -8.505 15.075 3.758 1.00 . A A . 7 THR OG1 1 1
13 2191 1 1 8 SER C C -3.942 10.603 1.650 1.00 . A A . 8 SER C 1 1
13 2192 1 1 8 SER CA C -4.767 11.619 0.866 1.00 . A A . 8 SER CA 1 1
13 2193 1 1 8 SER CB C -3.904 12.269 -0.218 1.00 . A A . 8 SER CB 1 1
13 2194 1 1 8 SER H H -5.140 13.585 1.565 1.00 . A A . 8 SER H 1 1
13 2195 1 1 8 SER HA H -5.586 11.102 0.392 1.00 . A A . 8 SER HA 1 1
13 2196 1 1 8 SER HB2 H -3.098 12.813 0.248 1.00 . A A . 8 SER HB2 1 1
13 2197 1 1 8 SER HB3 H -3.495 11.502 -0.859 1.00 . A A . 8 SER HB3 1 1
13 2198 1 1 8 SER HG H -4.125 13.926 -1.240 1.00 . A A . 8 SER HG 1 1
13 2199 1 1 8 SER N N -5.336 12.640 1.746 1.00 . A A . 8 SER N 1 1
13 2200 1 1 8 SER O O -4.010 9.402 1.383 1.00 . A A . 8 SER O 1 1
13 2201 1 1 8 SER OG O -4.664 13.166 -1.007 1.00 . A A . 8 SER OG 1 1
13 2202 1 1 9 ASP C C -3.120 9.654 4.634 1.00 . A A . 9 ASP C 1 1
13 2203 1 1 9 ASP CA C -2.333 10.221 3.443 1.00 . A A . 9 ASP CA 1 1
13 2204 1 1 9 ASP CB C -1.094 10.987 3.927 1.00 . A A . 9 ASP CB 1 1
13 2205 1 1 9 ASP CG C -0.090 10.096 4.640 1.00 . A A . 9 ASP CG 1 1
13 2206 1 1 9 ASP H H -3.158 12.056 2.784 1.00 . A A . 9 ASP H 1 1
13 2207 1 1 9 ASP HA H -2.010 9.396 2.824 1.00 . A A . 9 ASP HA 1 1
13 2208 1 1 9 ASP HB2 H -0.604 11.438 3.077 1.00 . A A . 9 ASP HB2 1 1
13 2209 1 1 9 ASP HB3 H -1.406 11.766 4.609 1.00 . A A . 9 ASP HB3 1 1
13 2210 1 1 9 ASP N N -3.167 11.090 2.619 1.00 . A A . 9 ASP N 1 1
13 2211 1 1 9 ASP O O -2.586 9.528 5.738 1.00 . A A . 9 ASP O 1 1
13 2212 1 1 9 ASP OD1 O 0.400 9.132 4.015 1.00 . A A . 9 ASP OD1 1 1
13 2213 1 1 9 ASP OD2 O 0.207 10.366 5.823 1.00 . A A . 9 ASP OD2 1 1
13 2214 1 1 10 PHE C C -4.614 7.451 6.028 1.00 . A A . 10 PHE C 1 1
13 2215 1 1 10 PHE CA C -5.231 8.733 5.462 1.00 . A A . 10 PHE CA 1 1
13 2216 1 1 10 PHE CB C -6.657 8.469 4.947 1.00 . A A . 10 PHE CB 1 1
13 2217 1 1 10 PHE CD1 C -6.389 6.324 3.647 1.00 . A A . 10 PHE CD1 1 1
13 2218 1 1 10 PHE CD2 C -7.152 8.266 2.492 1.00 . A A . 10 PHE CD2 1 1
13 2219 1 1 10 PHE CE1 C -6.464 5.595 2.474 1.00 . A A . 10 PHE CE1 1 1
13 2220 1 1 10 PHE CE2 C -7.229 7.542 1.318 1.00 . A A . 10 PHE CE2 1 1
13 2221 1 1 10 PHE CG C -6.730 7.668 3.670 1.00 . A A . 10 PHE CG 1 1
13 2222 1 1 10 PHE CZ C -6.884 6.205 1.309 1.00 . A A . 10 PHE CZ 1 1
13 2223 1 1 10 PHE H H -4.768 9.414 3.509 1.00 . A A . 10 PHE H 1 1
13 2224 1 1 10 PHE HA H -5.281 9.463 6.257 1.00 . A A . 10 PHE HA 1 1
13 2225 1 1 10 PHE HB2 H -7.206 7.928 5.703 1.00 . A A . 10 PHE HB2 1 1
13 2226 1 1 10 PHE HB3 H -7.146 9.417 4.772 1.00 . A A . 10 PHE HB3 1 1
13 2227 1 1 10 PHE HD1 H -6.062 5.844 4.557 1.00 . A A . 10 PHE HD1 1 1
13 2228 1 1 10 PHE HD2 H -7.421 9.310 2.496 1.00 . A A . 10 PHE HD2 1 1
13 2229 1 1 10 PHE HE1 H -6.193 4.549 2.470 1.00 . A A . 10 PHE HE1 1 1
13 2230 1 1 10 PHE HE2 H -7.560 8.021 0.409 1.00 . A A . 10 PHE HE2 1 1
13 2231 1 1 10 PHE HZ H -6.943 5.637 0.392 1.00 . A A . 10 PHE HZ 1 1
13 2232 1 1 10 PHE N N -4.391 9.300 4.406 1.00 . A A . 10 PHE N 1 1
13 2233 1 1 10 PHE O O -4.717 7.183 7.226 1.00 . A A . 10 PHE O 1 1
13 2234 1 1 11 . C C -1.991 5.671 6.277 1.00 . A A . 11 PH8 C 1 1
13 2235 1 1 11 . CA C -3.329 5.417 5.574 1.00 . A A . 11 PH8 CA 1 1
13 2236 1 1 11 . CB C -3.142 4.482 4.368 1.00 . A A . 11 PH8 CB 1 1
13 2237 1 1 11 . CD1 C 0.358 3.257 2.409 1.00 . A A . 11 PH8 CD1 1 1
13 2238 1 1 11 . CD2 C 0.501 5.426 1.426 1.00 . A A . 11 PH8 CD2 1 1
13 2239 1 1 11 . CE1 C 1.159 2.747 1.406 1.00 . A A . 11 PH8 CE1 1 1
13 2240 1 1 11 . CE2 C 1.303 4.921 0.421 1.00 . A A . 11 PH8 CE2 1 1
13 2241 1 1 11 . CG C 0.020 4.602 2.431 1.00 . A A . 11 PH8 CG 1 1
13 2242 1 1 11 . CI C -2.340 5.078 3.213 1.00 . A A . 11 PH8 CI 1 1
13 2243 1 1 11 . CJ C -0.853 5.154 3.524 1.00 . A A . 11 PH8 CJ 1 1
13 2244 1 1 11 . CZ C 1.632 3.579 0.410 1.00 . A A . 11 PH8 CZ 1 1
13 2245 1 1 11 . HA H -3.993 4.937 6.278 1.00 . A A . 11 PH8 HA 1 1
13 2246 1 1 11 . HB H -2.635 3.589 4.700 1.00 . A A . 11 PH8 HB 1 1
13 2247 1 1 11 . HBA H -4.117 4.207 3.992 1.00 . A A . 11 PH8 HBA 1 1
13 2248 1 1 11 . HD1 H -0.013 2.605 3.186 1.00 . A A . 11 PH8 HD1 1 1
13 2249 1 1 11 . HD2 H 0.244 6.475 1.433 1.00 . A A . 11 PH8 HD2 1 1
13 2250 1 1 11 . HE1 H 1.415 1.697 1.400 1.00 . A A . 11 PH8 HE1 1 1
13 2251 1 1 11 . HE2 H 1.672 5.574 -0.357 1.00 . A A . 11 PH8 HE2 1 1
13 2252 1 1 11 . HI H -2.481 4.461 2.338 1.00 . A A . 11 PH8 HI 1 1
13 2253 1 1 11 . HIA H -2.705 6.074 3.012 1.00 . A A . 11 PH8 HIA 1 1
13 2254 1 1 11 . HJ H -0.656 4.593 4.426 1.00 . A A . 11 PH8 HJ 1 1
13 2255 1 1 11 . HJA H -0.584 6.188 3.678 1.00 . A A . 11 PH8 HJA 1 1
13 2256 1 1 11 . HN H -3.917 6.939 4.221 1.00 . A A . 11 PH8 HN 1 1
13 2257 1 1 11 . HZ H 2.259 3.182 -0.375 1.00 . A A . 11 PH8 HZ 1 1
13 2258 1 1 11 . N N -3.968 6.667 5.161 1.00 . A A . 11 PH8 N 1 1
13 2259 1 1 11 . O O -1.539 4.854 7.079 1.00 . A A . 11 PH8 O 1 1
13 2260 1 1 12 NH2 HN1 H -1.764 7.415 5.336 1.00 . A A . 12 NH2 HN1 1 1
13 2261 1 1 12 NH2 HN2 H -0.500 6.981 6.428 1.00 . A A . 12 NH2 HN2 1 1
13 2262 1 1 12 NH2 N N -1.354 6.804 5.983 1.00 . A A . 12 NH2 N 1 1
14 2263 1 1 1 HIS C C 2.693 18.937 6.124 1.00 . A A . 1 HIS C 1 1
14 2264 1 1 1 HIS CA C 3.317 19.051 7.520 1.00 . A A . 1 HIS CA 1 1
14 2265 1 1 1 HIS CB C 4.105 20.363 7.643 1.00 . A A . 1 HIS CB 1 1
14 2266 1 1 1 HIS CD2 C 4.317 21.603 9.913 1.00 . A A . 1 HIS CD2 1 1
14 2267 1 1 1 HIS CE1 C 5.864 20.348 10.827 1.00 . A A . 1 HIS CE1 1 1
14 2268 1 1 1 HIS CG C 4.634 20.635 9.020 1.00 . A A . 1 HIS CG 1 1
14 2269 1 1 1 HIS H1 H 3.864 17.033 7.389 1.00 . A A . 1 HIS H1 1 1
14 2270 1 1 1 HIS H2 H 4.320 17.773 8.836 1.00 . A A . 1 HIS H2 1 1
14 2271 1 1 1 HIS H3 H 5.178 18.098 7.415 1.00 . A A . 1 HIS H3 1 1
14 2272 1 1 1 HIS HA H 2.526 19.045 8.256 1.00 . A A . 1 HIS HA 1 1
14 2273 1 1 1 HIS HB2 H 4.947 20.332 6.969 1.00 . A A . 1 HIS HB2 1 1
14 2274 1 1 1 HIS HB3 H 3.462 21.186 7.366 1.00 . A A . 1 HIS HB3 1 1
14 2275 1 1 1 HIS HD1 H 6.048 19.084 9.229 1.00 . A A . 1 HIS HD1 1 1
14 2276 1 1 1 HIS HD2 H 3.586 22.388 9.775 1.00 . A A . 1 HIS HD2 1 1
14 2277 1 1 1 HIS HE1 H 6.583 19.949 11.527 1.00 . A A . 1 HIS HE1 1 1
14 2278 1 1 1 HIS HE2 H 5.135 21.991 11.807 1.00 . A A . 1 HIS HE2 1 1
14 2279 1 1 1 HIS N N 4.233 17.909 7.809 1.00 . A A . 1 HIS N 1 1
14 2280 1 1 1 HIS ND1 N 5.608 19.866 9.624 1.00 . A A . 1 HIS ND1 1 1
14 2281 1 1 1 HIS NE2 N 5.095 21.401 11.025 1.00 . A A . 1 HIS NE2 1 1
14 2282 1 1 1 HIS O O 2.741 19.884 5.334 1.00 . A A . 1 HIS O 1 1
14 2283 1 1 2 . C C 0.310 18.491 4.289 1.00 . A A . 2 KCY C 1 1
14 2284 1 1 2 . CA C 1.461 17.528 4.536 1.00 . A A . 2 KCY CA 1 1
14 2285 1 1 2 . CB C 2.479 17.636 3.395 1.00 . A A . 2 KCY CB 1 1
14 2286 1 1 2 . CG C 3.198 16.334 3.088 1.00 . A A . 2 KCY CG 1 1
14 2287 1 1 2 . HA H 1.066 16.524 4.552 1.00 . A A . 2 KCY HA 1 1
14 2288 1 1 2 . HB H 1.967 17.957 2.500 1.00 . A A . 2 KCY HB 1 1
14 2289 1 1 2 . HBA H 3.220 18.376 3.658 1.00 . A A . 2 KCY HBA 1 1
14 2290 1 1 2 . HG H 3.576 15.916 4.009 1.00 . A A . 2 KCY HG 1 1
14 2291 1 1 2 . HGA H 4.019 16.536 2.417 1.00 . A A . 2 KCY HGA 1 1
14 2292 1 1 2 . HN H 2.090 17.065 6.500 1.00 . A A . 2 KCY HN 1 1
14 2293 1 1 2 . N N 2.101 17.774 5.829 1.00 . A A . 2 KCY N 1 1
14 2294 1 1 2 . O O -0.819 18.062 4.050 1.00 . A A . 2 KCY O 1 1
14 2295 1 1 2 . SD S 2.113 15.098 2.302 1.00 . A A . 2 KCY SD 1 1
14 2296 1 1 3 GLU C C -1.089 20.563 2.764 1.00 . A A . 3 GLU C 1 1
14 2297 1 1 3 GLU CA C -0.414 20.815 4.111 1.00 . A A . 3 GLU CA 1 1
14 2298 1 1 3 GLU CB C 0.225 22.212 4.148 1.00 . A A . 3 GLU CB 1 1
14 2299 1 1 3 GLU CD C -1.661 23.640 3.184 1.00 . A A . 3 GLU CD 1 1
14 2300 1 1 3 GLU CG C -0.755 23.362 4.373 1.00 . A A . 3 GLU CG 1 1
14 2301 1 1 3 GLU H H 1.525 20.064 4.536 1.00 . A A . 3 GLU H 1 1
14 2302 1 1 3 GLU HA H -1.152 20.736 4.895 1.00 . A A . 3 GLU HA 1 1
14 2303 1 1 3 GLU HB2 H 0.953 22.236 4.945 1.00 . A A . 3 GLU HB2 1 1
14 2304 1 1 3 GLU HB3 H 0.733 22.383 3.210 1.00 . A A . 3 GLU HB3 1 1
14 2305 1 1 3 GLU HG2 H -1.375 23.122 5.224 1.00 . A A . 3 GLU HG2 1 1
14 2306 1 1 3 GLU HG3 H -0.188 24.257 4.590 1.00 . A A . 3 GLU HG3 1 1
14 2307 1 1 3 GLU N N 0.603 19.791 4.343 1.00 . A A . 3 GLU N 1 1
14 2308 1 1 3 GLU O O -0.517 20.836 1.707 1.00 . A A . 3 GLU O 1 1
14 2309 1 1 3 GLU OE1 O -2.644 22.894 2.991 1.00 . A A . 3 GLU OE1 1 1
14 2310 1 1 3 GLU OE2 O -1.385 24.607 2.444 1.00 . A A . 3 GLU OE2 1 1
14 2311 1 1 4 GLY C C -2.749 18.307 1.098 1.00 . A A . 4 GLY C 1 1
14 2312 1 1 4 GLY CA C -3.044 19.707 1.610 1.00 . A A . 4 GLY CA 1 1
14 2313 1 1 4 GLY H H -2.694 19.808 3.694 1.00 . A A . 4 GLY H 1 1
14 2314 1 1 4 GLY HA2 H -4.101 19.789 1.817 1.00 . A A . 4 GLY HA2 1 1
14 2315 1 1 4 GLY HA3 H -2.782 20.420 0.845 1.00 . A A . 4 GLY HA3 1 1
14 2316 1 1 4 GLY N N -2.304 20.018 2.819 1.00 . A A . 4 GLY N 1 1
14 2317 1 1 4 GLY O O -2.615 18.096 -0.108 1.00 . A A . 4 GLY O 1 1
14 2318 1 1 5 . C C -3.079 15.012 2.671 1.00 . A A . 5 HCS C 1 1
14 2319 1 1 5 . CA C -2.383 15.951 1.683 1.00 . A A . 5 HCS CA 1 1
14 2320 1 1 5 . CB C -0.873 15.666 1.683 1.00 . A A . 5 HCS CB 1 1
14 2321 1 1 5 . CG C -0.074 16.510 0.704 1.00 . A A . 5 HCS CG 1 1
14 2322 1 1 5 . H H -2.778 17.588 2.969 1.00 . A A . 5 HCS H 1 1
14 2323 1 1 5 . HB2 H -0.488 15.849 2.674 1.00 . A A . 5 HCS HB2 1 1
14 2324 1 1 5 . HB3 H -0.718 14.626 1.436 1.00 . A A . 5 HCS HB3 1 1
14 2325 1 1 5 . HCA H -2.778 15.768 0.695 1.00 . A A . 5 HCS HCA 1 1
14 2326 1 1 5 . HG2 H -0.553 16.474 -0.264 1.00 . A A . 5 HCS HG2 1 1
14 2327 1 1 5 . HG3 H -0.050 17.531 1.058 1.00 . A A . 5 HCS HG3 1 1
14 2328 1 1 5 . N N -2.656 17.348 2.026 1.00 . A A . 5 HCS N 1 1
14 2329 1 1 5 . O O -2.491 14.034 3.136 1.00 . A A . 5 HCS O 1 1
14 2330 1 1 5 . SD S 1.647 15.934 0.508 1.00 . A A . 5 HCS SD 1 1
14 2331 1 1 6 PHE C C -5.203 13.047 3.465 1.00 . A A . 6 PHE C 1 1
14 2332 1 1 6 PHE CA C -5.120 14.506 3.922 1.00 . A A . 6 PHE CA 1 1
14 2333 1 1 6 PHE CB C -6.528 15.095 4.101 1.00 . A A . 6 PHE CB 1 1
14 2334 1 1 6 PHE CD1 C -7.942 13.979 2.343 1.00 . A A . 6 PHE CD1 1 1
14 2335 1 1 6 PHE CD2 C -7.534 16.321 2.152 1.00 . A A . 6 PHE CD2 1 1
14 2336 1 1 6 PHE CE1 C -8.694 14.012 1.185 1.00 . A A . 6 PHE CE1 1 1
14 2337 1 1 6 PHE CE2 C -8.285 16.360 0.993 1.00 . A A . 6 PHE CE2 1 1
14 2338 1 1 6 PHE CG C -7.353 15.132 2.841 1.00 . A A . 6 PHE CG 1 1
14 2339 1 1 6 PHE CZ C -8.866 15.204 0.509 1.00 . A A . 6 PHE CZ 1 1
14 2340 1 1 6 PHE H H -4.750 16.110 2.581 1.00 . A A . 6 PHE H 1 1
14 2341 1 1 6 PHE HA H -4.611 14.534 4.874 1.00 . A A . 6 PHE HA 1 1
14 2342 1 1 6 PHE HB2 H -7.065 14.504 4.827 1.00 . A A . 6 PHE HB2 1 1
14 2343 1 1 6 PHE HB3 H -6.439 16.108 4.469 1.00 . A A . 6 PHE HB3 1 1
14 2344 1 1 6 PHE HD1 H -7.809 13.047 2.871 1.00 . A A . 6 PHE HD1 1 1
14 2345 1 1 6 PHE HD2 H -7.080 17.226 2.529 1.00 . A A . 6 PHE HD2 1 1
14 2346 1 1 6 PHE HE1 H -9.147 13.107 0.809 1.00 . A A . 6 PHE HE1 1 1
14 2347 1 1 6 PHE HE2 H -8.419 17.293 0.466 1.00 . A A . 6 PHE HE2 1 1
14 2348 1 1 6 PHE HZ H -9.453 15.232 -0.397 1.00 . A A . 6 PHE HZ 1 1
14 2349 1 1 6 PHE N N -4.337 15.318 2.986 1.00 . A A . 6 PHE N 1 1
14 2350 1 1 6 PHE O O -5.204 12.134 4.288 1.00 . A A . 6 PHE O 1 1
14 2351 1 1 7 THR C C -4.228 10.583 2.058 1.00 . A A . 7 THR C 1 1
14 2352 1 1 7 THR CA C -5.365 11.492 1.581 1.00 . A A . 7 THR CA 1 1
14 2353 1 1 7 THR CB C -5.374 11.531 0.036 1.00 . A A . 7 THR CB 1 1
14 2354 1 1 7 THR CG2 C -4.104 12.171 -0.511 1.00 . A A . 7 THR CG2 1 1
14 2355 1 1 7 THR H H -5.272 13.608 1.543 1.00 . A A . 7 THR H 1 1
14 2356 1 1 7 THR HA H -6.302 11.067 1.907 1.00 . A A . 7 THR HA 1 1
14 2357 1 1 7 THR HB H -6.221 12.120 -0.286 1.00 . A A . 7 THR HB 1 1
14 2358 1 1 7 THR HG1 H -6.266 10.165 -1.075 1.00 . A A . 7 THR HG1 1 1
14 2359 1 1 7 THR HG21 H -3.885 13.070 0.046 1.00 . A A . 7 THR HG21 1 1
14 2360 1 1 7 THR HG22 H -4.245 12.419 -1.552 1.00 . A A . 7 THR HG22 1 1
14 2361 1 1 7 THR HG23 H -3.280 11.478 -0.414 1.00 . A A . 7 THR HG23 1 1
14 2362 1 1 7 THR N N -5.275 12.837 2.149 1.00 . A A . 7 THR N 1 1
14 2363 1 1 7 THR O O -4.455 9.404 2.339 1.00 . A A . 7 THR O 1 1
14 2364 1 1 7 THR OG1 O -5.506 10.204 -0.490 1.00 . A A . 7 THR OG1 1 1
14 2365 1 1 8 SER C C -2.117 9.625 3.894 1.00 . A A . 8 SER C 1 1
14 2366 1 1 8 SER CA C -1.847 10.348 2.574 1.00 . A A . 8 SER CA 1 1
14 2367 1 1 8 SER CB C -0.608 11.243 2.708 1.00 . A A . 8 SER CB 1 1
14 2368 1 1 8 SER H H -2.891 12.072 1.902 1.00 . A A . 8 SER H 1 1
14 2369 1 1 8 SER HA H -1.656 9.606 1.814 1.00 . A A . 8 SER HA 1 1
14 2370 1 1 8 SER HB2 H 0.255 10.629 2.917 1.00 . A A . 8 SER HB2 1 1
14 2371 1 1 8 SER HB3 H -0.453 11.775 1.781 1.00 . A A . 8 SER HB3 1 1
14 2372 1 1 8 SER HG H -0.800 13.071 3.386 1.00 . A A . 8 SER HG 1 1
14 2373 1 1 8 SER N N -3.010 11.128 2.142 1.00 . A A . 8 SER N 1 1
14 2374 1 1 8 SER O O -1.862 8.425 4.013 1.00 . A A . 8 SER O 1 1
14 2375 1 1 8 SER OG O -0.758 12.185 3.755 1.00 . A A . 8 SER OG 1 1
14 2376 1 1 9 ASP C C -4.244 8.955 6.140 1.00 . A A . 9 ASP C 1 1
14 2377 1 1 9 ASP CA C -2.949 9.777 6.183 1.00 . A A . 9 ASP CA 1 1
14 2378 1 1 9 ASP CB C -3.014 10.865 7.267 1.00 . A A . 9 ASP CB 1 1
14 2379 1 1 9 ASP CG C -4.100 11.897 7.030 1.00 . A A . 9 ASP CG 1 1
14 2380 1 1 9 ASP H H -2.825 11.307 4.719 1.00 . A A . 9 ASP H 1 1
14 2381 1 1 9 ASP HA H -2.139 9.105 6.428 1.00 . A A . 9 ASP HA 1 1
14 2382 1 1 9 ASP HB2 H -3.199 10.397 8.221 1.00 . A A . 9 ASP HB2 1 1
14 2383 1 1 9 ASP HB3 H -2.063 11.375 7.305 1.00 . A A . 9 ASP HB3 1 1
14 2384 1 1 9 ASP N N -2.640 10.358 4.877 1.00 . A A . 9 ASP N 1 1
14 2385 1 1 9 ASP O O -4.402 8.011 6.916 1.00 . A A . 9 ASP O 1 1
14 2386 1 1 9 ASP OD1 O -5.287 11.568 7.225 1.00 . A A . 9 ASP OD1 1 1
14 2387 1 1 9 ASP OD2 O -3.761 13.037 6.646 1.00 . A A . 9 ASP OD2 1 1
14 2388 1 1 10 PHE C C -6.168 7.091 4.814 1.00 . A A . 10 PHE C 1 1
14 2389 1 1 10 PHE CA C -6.426 8.571 5.085 1.00 . A A . 10 PHE CA 1 1
14 2390 1 1 10 PHE CB C -7.285 9.158 3.954 1.00 . A A . 10 PHE CB 1 1
14 2391 1 1 10 PHE CD1 C -7.719 11.261 5.266 1.00 . A A . 10 PHE CD1 1 1
14 2392 1 1 10 PHE CD2 C -9.448 10.429 3.854 1.00 . A A . 10 PHE CD2 1 1
14 2393 1 1 10 PHE CE1 C -8.530 12.314 5.644 1.00 . A A . 10 PHE CE1 1 1
14 2394 1 1 10 PHE CE2 C -10.264 11.479 4.228 1.00 . A A . 10 PHE CE2 1 1
14 2395 1 1 10 PHE CG C -8.166 10.307 4.368 1.00 . A A . 10 PHE CG 1 1
14 2396 1 1 10 PHE CZ C -9.804 12.423 5.125 1.00 . A A . 10 PHE CZ 1 1
14 2397 1 1 10 PHE H H -4.977 10.054 4.619 1.00 . A A . 10 PHE H 1 1
14 2398 1 1 10 PHE HA H -6.963 8.663 6.017 1.00 . A A . 10 PHE HA 1 1
14 2399 1 1 10 PHE HB2 H -6.635 9.511 3.168 1.00 . A A . 10 PHE HB2 1 1
14 2400 1 1 10 PHE HB3 H -7.921 8.378 3.559 1.00 . A A . 10 PHE HB3 1 1
14 2401 1 1 10 PHE HD1 H -6.726 11.177 5.671 1.00 . A A . 10 PHE HD1 1 1
14 2402 1 1 10 PHE HD2 H -9.809 9.690 3.153 1.00 . A A . 10 PHE HD2 1 1
14 2403 1 1 10 PHE HE1 H -8.166 13.050 6.345 1.00 . A A . 10 PHE HE1 1 1
14 2404 1 1 10 PHE HE2 H -11.260 11.562 3.820 1.00 . A A . 10 PHE HE2 1 1
14 2405 1 1 10 PHE HZ H -10.439 13.245 5.419 1.00 . A A . 10 PHE HZ 1 1
14 2406 1 1 10 PHE N N -5.161 9.303 5.223 1.00 . A A . 10 PHE N 1 1
14 2407 1 1 10 PHE O O -6.809 6.222 5.407 1.00 . A A . 10 PHE O 1 1
14 2408 1 1 11 . C C -3.457 5.100 4.033 1.00 . A A . 11 PH8 C 1 1
14 2409 1 1 11 . CA C -4.871 5.446 3.555 1.00 . A A . 11 PH8 CA 1 1
14 2410 1 1 11 . CB C -4.983 5.256 2.039 1.00 . A A . 11 PH8 CB 1 1
14 2411 1 1 11 . CD1 C -7.682 7.388 -0.861 1.00 . A A . 11 PH8 CD1 1 1
14 2412 1 1 11 . CD2 C -8.737 5.253 -0.999 1.00 . A A . 11 PH8 CD2 1 1
14 2413 1 1 11 . CE1 C -8.793 7.978 -1.432 1.00 . A A . 11 PH8 CE1 1 1
14 2414 1 1 11 . CE2 C -9.851 5.838 -1.570 1.00 . A A . 11 PH8 CE2 1 1
14 2415 1 1 11 . CG C -7.641 6.020 -0.638 1.00 . A A . 11 PH8 CG 1 1
14 2416 1 1 11 . CI C -6.379 5.524 1.498 1.00 . A A . 11 PH8 CI 1 1
14 2417 1 1 11 . CJ C -6.431 5.382 -0.015 1.00 . A A . 11 PH8 CJ 1 1
14 2418 1 1 11 . CZ C -9.880 7.201 -1.787 1.00 . A A . 11 PH8 CZ 1 1
14 2419 1 1 11 . HA H -5.572 4.785 4.043 1.00 . A A . 11 PH8 HA 1 1
14 2420 1 1 11 . HB H -4.296 5.931 1.551 1.00 . A A . 11 PH8 HB 1 1
14 2421 1 1 11 . HBA H -4.713 4.240 1.793 1.00 . A A . 11 PH8 HBA 1 1
14 2422 1 1 11 . HD1 H -6.833 7.996 -0.585 1.00 . A A . 11 PH8 HD1 1 1
14 2423 1 1 11 . HD2 H -8.716 4.187 -0.830 1.00 . A A . 11 PH8 HD2 1 1
14 2424 1 1 11 . HE1 H -8.813 9.044 -1.600 1.00 . A A . 11 PH8 HE1 1 1
14 2425 1 1 11 . HE2 H -10.700 5.229 -1.847 1.00 . A A . 11 PH8 HE2 1 1
14 2426 1 1 11 . HI H -7.067 4.818 1.940 1.00 . A A . 11 PH8 HI 1 1
14 2427 1 1 11 . HIA H -6.671 6.529 1.765 1.00 . A A . 11 PH8 HIA 1 1
14 2428 1 1 11 . HJ H -6.438 4.331 -0.264 1.00 . A A . 11 PH8 HJ 1 1
14 2429 1 1 11 . HJA H -5.551 5.845 -0.436 1.00 . A A . 11 PH8 HJA 1 1
14 2430 1 1 11 . HN H -4.751 7.558 3.480 1.00 . A A . 11 PH8 HN 1 1
14 2431 1 1 11 . HZ H -10.749 7.660 -2.233 1.00 . A A . 11 PH8 HZ 1 1
14 2432 1 1 11 . N N -5.224 6.817 3.914 1.00 . A A . 11 PH8 N 1 1
14 2433 1 1 11 . O O -2.702 4.419 3.337 1.00 . A A . 11 PH8 O 1 1
14 2434 1 1 12 NH2 HN1 H -3.743 6.104 5.733 1.00 . A A . 12 NH2 HN1 1 1
14 2435 1 1 12 NH2 HN2 H -2.196 5.357 5.552 1.00 . A A . 12 NH2 HN2 1 1
14 2436 1 1 12 NH2 N N -3.096 5.568 5.227 1.00 . A A . 12 NH2 N 1 1
15 2437 1 1 1 HIS C C 3.265 18.360 5.207 1.00 . A A . 1 HIS C 1 1
15 2438 1 1 1 HIS CA C 4.705 18.794 5.496 1.00 . A A . 1 HIS CA 1 1
15 2439 1 1 1 HIS CB C 4.813 20.323 5.520 1.00 . A A . 1 HIS CB 1 1
15 2440 1 1 1 HIS CD2 C 3.122 21.995 6.562 1.00 . A A . 1 HIS CD2 1 1
15 2441 1 1 1 HIS CE1 C 3.276 21.352 8.653 1.00 . A A . 1 HIS CE1 1 1
15 2442 1 1 1 HIS CG C 4.010 20.973 6.608 1.00 . A A . 1 HIS CG 1 1
15 2443 1 1 1 HIS H1 H 5.423 18.679 3.537 1.00 . A A . 1 HIS H1 1 1
15 2444 1 1 1 HIS H2 H 5.565 17.235 4.406 1.00 . A A . 1 HIS H2 1 1
15 2445 1 1 1 HIS H3 H 6.623 18.516 4.719 1.00 . A A . 1 HIS H3 1 1
15 2446 1 1 1 HIS HA H 5.001 18.403 6.457 1.00 . A A . 1 HIS HA 1 1
15 2447 1 1 1 HIS HB2 H 5.846 20.602 5.659 1.00 . A A . 1 HIS HB2 1 1
15 2448 1 1 1 HIS HB3 H 4.466 20.713 4.574 1.00 . A A . 1 HIS HB3 1 1
15 2449 1 1 1 HIS HD1 H 4.641 19.871 8.292 1.00 . A A . 1 HIS HD1 1 1
15 2450 1 1 1 HIS HD2 H 2.820 22.541 5.681 1.00 . A A . 1 HIS HD2 1 1
15 2451 1 1 1 HIS HE1 H 3.127 21.282 9.721 1.00 . A A . 1 HIS HE1 1 1
15 2452 1 1 1 HIS HE2 H 2.014 22.872 8.114 1.00 . A A . 1 HIS HE2 1 1
15 2453 1 1 1 HIS N N 5.644 18.269 4.468 1.00 . A A . 1 HIS N 1 1
15 2454 1 1 1 HIS ND1 N 4.084 20.593 7.933 1.00 . A A . 1 HIS ND1 1 1
15 2455 1 1 1 HIS NE2 N 2.682 22.209 7.844 1.00 . A A . 1 HIS NE2 1 1
15 2456 1 1 1 HIS O O 2.888 18.156 4.052 1.00 . A A . 1 HIS O 1 1
15 2457 1 1 2 . C C 0.296 18.681 5.164 1.00 . A A . 2 KCY C 1 1
15 2458 1 1 2 . CA C 1.065 17.808 6.165 1.00 . A A . 2 KCY CA 1 1
15 2459 1 1 2 . CB C 0.986 16.321 5.785 1.00 . A A . 2 KCY CB 1 1
15 2460 1 1 2 . CG C -0.208 15.595 6.387 1.00 . A A . 2 KCY CG 1 1
15 2461 1 1 2 . HA H 0.608 17.943 7.129 1.00 . A A . 2 KCY HA 1 1
15 2462 1 1 2 . HB H 0.921 16.240 4.710 1.00 . A A . 2 KCY HB 1 1
15 2463 1 1 2 . HBA H 1.886 15.827 6.120 1.00 . A A . 2 KCY HBA 1 1
15 2464 1 1 2 . HG H -1.112 15.959 5.922 1.00 . A A . 2 KCY HG 1 1
15 2465 1 1 2 . HGA H -0.241 15.799 7.447 1.00 . A A . 2 KCY HGA 1 1
15 2466 1 1 2 . HN H 2.840 18.397 7.164 1.00 . A A . 2 KCY HN 1 1
15 2467 1 1 2 . N N 2.470 18.220 6.273 1.00 . A A . 2 KCY N 1 1
15 2468 1 1 2 . O O -0.678 18.232 4.549 1.00 . A A . 2 KCY O 1 1
15 2469 1 1 2 . SD S -0.143 13.783 6.164 1.00 . A A . 2 KCY SD 1 1
15 2470 1 1 3 GLU C C -0.260 20.305 2.793 1.00 . A A . 3 GLU C 1 1
15 2471 1 1 3 GLU CA C 0.094 20.914 4.147 1.00 . A A . 3 GLU CA 1 1
15 2472 1 1 3 GLU CB C 1.005 22.130 3.947 1.00 . A A . 3 GLU CB 1 1
15 2473 1 1 3 GLU CD C 1.330 24.389 2.816 1.00 . A A . 3 GLU CD 1 1
15 2474 1 1 3 GLU CG C 0.410 23.196 3.036 1.00 . A A . 3 GLU CG 1 1
15 2475 1 1 3 GLU H H 1.494 20.236 5.576 1.00 . A A . 3 GLU H 1 1
15 2476 1 1 3 GLU HA H -0.817 21.242 4.623 1.00 . A A . 3 GLU HA 1 1
15 2477 1 1 3 GLU HB2 H 1.199 22.580 4.910 1.00 . A A . 3 GLU HB2 1 1
15 2478 1 1 3 GLU HB3 H 1.940 21.801 3.518 1.00 . A A . 3 GLU HB3 1 1
15 2479 1 1 3 GLU HG2 H 0.198 22.749 2.077 1.00 . A A . 3 GLU HG2 1 1
15 2480 1 1 3 GLU HG3 H -0.512 23.549 3.476 1.00 . A A . 3 GLU HG3 1 1
15 2481 1 1 3 GLU N N 0.731 19.944 5.037 1.00 . A A . 3 GLU N 1 1
15 2482 1 1 3 GLU O O 0.613 20.029 1.967 1.00 . A A . 3 GLU O 1 1
15 2483 1 1 3 GLU OE1 O 2.461 24.392 3.354 1.00 . A A . 3 GLU OE1 1 1
15 2484 1 1 3 GLU OE2 O 0.915 25.325 2.102 1.00 . A A . 3 GLU OE2 1 1
15 2485 1 1 4 GLY C C -2.039 18.025 1.349 1.00 . A A . 4 GLY C 1 1
15 2486 1 1 4 GLY CA C -2.051 19.540 1.342 1.00 . A A . 4 GLY CA 1 1
15 2487 1 1 4 GLY H H -2.190 20.348 3.297 1.00 . A A . 4 GLY H 1 1
15 2488 1 1 4 GLY HA2 H -3.064 19.879 1.183 1.00 . A A . 4 GLY HA2 1 1
15 2489 1 1 4 GLY HA3 H -1.435 19.890 0.528 1.00 . A A . 4 GLY HA3 1 1
15 2490 1 1 4 GLY N N -1.557 20.108 2.586 1.00 . A A . 4 GLY N 1 1
15 2491 1 1 4 GLY O O -1.651 17.396 0.364 1.00 . A A . 4 GLY O 1 1
15 2492 1 1 5 . C C -3.678 15.583 3.513 1.00 . A A . 5 HCS C 1 1
15 2493 1 1 5 . CA C -2.501 15.991 2.618 1.00 . A A . 5 HCS CA 1 1
15 2494 1 1 5 . CB C -1.172 15.509 3.205 1.00 . A A . 5 HCS CB 1 1
15 2495 1 1 5 . CG C -1.011 14.000 3.270 1.00 . A A . 5 HCS CG 1 1
15 2496 1 1 5 . H H -2.748 18.004 3.220 1.00 . A A . 5 HCS H 1 1
15 2497 1 1 5 . HB2 H -0.367 15.903 2.602 1.00 . A A . 5 HCS HB2 1 1
15 2498 1 1 5 . HB3 H -1.078 15.900 4.205 1.00 . A A . 5 HCS HB3 1 1
15 2499 1 1 5 . HCA H -2.637 15.556 1.638 1.00 . A A . 5 HCS HCA 1 1
15 2500 1 1 5 . HG2 H -1.885 13.567 3.733 1.00 . A A . 5 HCS HG2 1 1
15 2501 1 1 5 . HG3 H -0.897 13.613 2.268 1.00 . A A . 5 HCS HG3 1 1
15 2502 1 1 5 . N N -2.462 17.441 2.468 1.00 . A A . 5 HCS N 1 1
15 2503 1 1 5 . O O -3.535 14.768 4.430 1.00 . A A . 5 HCS O 1 1
15 2504 1 1 5 . SD S 0.452 13.515 4.239 1.00 . A A . 5 HCS SD 1 1
15 2505 1 1 6 PHE C C -6.378 14.372 3.961 1.00 . A A . 6 PHE C 1 1
15 2506 1 1 6 PHE CA C -6.065 15.866 3.990 1.00 . A A . 6 PHE CA 1 1
15 2507 1 1 6 PHE CB C -7.257 16.669 3.450 1.00 . A A . 6 PHE CB 1 1
15 2508 1 1 6 PHE CD1 C -6.077 18.900 3.531 1.00 . A A . 6 PHE CD1 1 1
15 2509 1 1 6 PHE CD2 C -8.314 18.763 4.349 1.00 . A A . 6 PHE CD2 1 1
15 2510 1 1 6 PHE CE1 C -6.043 20.246 3.839 1.00 . A A . 6 PHE CE1 1 1
15 2511 1 1 6 PHE CE2 C -8.284 20.110 4.660 1.00 . A A . 6 PHE CE2 1 1
15 2512 1 1 6 PHE CG C -7.212 18.140 3.782 1.00 . A A . 6 PHE CG 1 1
15 2513 1 1 6 PHE CZ C -7.147 20.851 4.404 1.00 . A A . 6 PHE CZ 1 1
15 2514 1 1 6 PHE H H -4.896 16.790 2.480 1.00 . A A . 6 PHE H 1 1
15 2515 1 1 6 PHE HA H -5.884 16.158 5.014 1.00 . A A . 6 PHE HA 1 1
15 2516 1 1 6 PHE HB2 H -7.286 16.574 2.375 1.00 . A A . 6 PHE HB2 1 1
15 2517 1 1 6 PHE HB3 H -8.169 16.263 3.865 1.00 . A A . 6 PHE HB3 1 1
15 2518 1 1 6 PHE HD1 H -5.213 18.431 3.089 1.00 . A A . 6 PHE HD1 1 1
15 2519 1 1 6 PHE HD2 H -9.203 18.185 4.551 1.00 . A A . 6 PHE HD2 1 1
15 2520 1 1 6 PHE HE1 H -5.153 20.824 3.638 1.00 . A A . 6 PHE HE1 1 1
15 2521 1 1 6 PHE HE2 H -9.149 20.583 5.101 1.00 . A A . 6 PHE HE2 1 1
15 2522 1 1 6 PHE HZ H -7.122 21.904 4.647 1.00 . A A . 6 PHE HZ 1 1
15 2523 1 1 6 PHE N N -4.849 16.158 3.227 1.00 . A A . 6 PHE N 1 1
15 2524 1 1 6 PHE O O -6.842 13.810 4.954 1.00 . A A . 6 PHE O 1 1
15 2525 1 1 7 THR C C -5.123 11.486 3.125 1.00 . A A . 7 THR C 1 1
15 2526 1 1 7 THR CA C -6.345 12.299 2.665 1.00 . A A . 7 THR CA 1 1
15 2527 1 1 7 THR CB C -6.687 11.950 1.196 1.00 . A A . 7 THR CB 1 1
15 2528 1 1 7 THR CG2 C -7.146 10.503 1.062 1.00 . A A . 7 THR CG2 1 1
15 2529 1 1 7 THR H H -5.728 14.233 2.067 1.00 . A A . 7 THR H 1 1
15 2530 1 1 7 THR HA H -7.192 12.034 3.281 1.00 . A A . 7 THR HA 1 1
15 2531 1 1 7 THR HB H -5.804 12.092 0.590 1.00 . A A . 7 THR HB 1 1
15 2532 1 1 7 THR HG1 H -7.340 13.530 0.210 1.00 . A A . 7 THR HG1 1 1
15 2533 1 1 7 THR HG21 H -8.179 10.480 0.749 1.00 . A A . 7 THR HG21 1 1
15 2534 1 1 7 THR HG22 H -7.048 10.002 2.014 1.00 . A A . 7 THR HG22 1 1
15 2535 1 1 7 THR HG23 H -6.537 10.000 0.326 1.00 . A A . 7 THR HG23 1 1
15 2536 1 1 7 THR N N -6.107 13.731 2.820 1.00 . A A . 7 THR N 1 1
15 2537 1 1 7 THR O O -4.756 10.487 2.500 1.00 . A A . 7 THR O 1 1
15 2538 1 1 7 THR OG1 O -7.726 12.814 0.720 1.00 . A A . 7 THR OG1 1 1
15 2539 1 1 8 SER C C -3.625 9.767 5.076 1.00 . A A . 8 SER C 1 1
15 2540 1 1 8 SER CA C -3.324 11.238 4.779 1.00 . A A . 8 SER CA 1 1
15 2541 1 1 8 SER CB C -2.855 11.940 6.059 1.00 . A A . 8 SER CB 1 1
15 2542 1 1 8 SER H H -4.833 12.721 4.681 1.00 . A A . 8 SER H 1 1
15 2543 1 1 8 SER HA H -2.536 11.290 4.043 1.00 . A A . 8 SER HA 1 1
15 2544 1 1 8 SER HB2 H -1.978 11.439 6.441 1.00 . A A . 8 SER HB2 1 1
15 2545 1 1 8 SER HB3 H -2.614 12.969 5.834 1.00 . A A . 8 SER HB3 1 1
15 2546 1 1 8 SER HG H -4.280 12.780 7.115 1.00 . A A . 8 SER HG 1 1
15 2547 1 1 8 SER N N -4.498 11.920 4.227 1.00 . A A . 8 SER N 1 1
15 2548 1 1 8 SER O O -2.778 8.897 4.860 1.00 . A A . 8 SER O 1 1
15 2549 1 1 8 SER OG O -3.864 11.916 7.058 1.00 . A A . 8 SER OG 1 1
15 2550 1 1 9 ASP C C -5.052 7.177 4.749 1.00 . A A . 9 ASP C 1 1
15 2551 1 1 9 ASP CA C -5.270 8.147 5.914 1.00 . A A . 9 ASP CA 1 1
15 2552 1 1 9 ASP CB C -6.749 8.149 6.320 1.00 . A A . 9 ASP CB 1 1
15 2553 1 1 9 ASP CG C -7.013 8.984 7.562 1.00 . A A . 9 ASP CG 1 1
15 2554 1 1 9 ASP H H -5.456 10.248 5.726 1.00 . A A . 9 ASP H 1 1
15 2555 1 1 9 ASP HA H -4.680 7.814 6.753 1.00 . A A . 9 ASP HA 1 1
15 2556 1 1 9 ASP HB2 H -7.338 8.549 5.509 1.00 . A A . 9 ASP HB2 1 1
15 2557 1 1 9 ASP HB3 H -7.062 7.134 6.518 1.00 . A A . 9 ASP HB3 1 1
15 2558 1 1 9 ASP N N -4.836 9.504 5.576 1.00 . A A . 9 ASP N 1 1
15 2559 1 1 9 ASP O O -4.645 6.033 4.957 1.00 . A A . 9 ASP O 1 1
15 2560 1 1 9 ASP OD1 O -6.464 8.646 8.633 1.00 . A A . 9 ASP OD1 1 1
15 2561 1 1 9 ASP OD2 O -7.765 9.976 7.462 1.00 . A A . 9 ASP OD2 1 1
15 2562 1 1 10 PHE C C -3.739 6.240 2.246 1.00 . A A . 10 PHE C 1 1
15 2563 1 1 10 PHE CA C -5.154 6.817 2.329 1.00 . A A . 10 PHE CA 1 1
15 2564 1 1 10 PHE CB C -5.461 7.636 1.069 1.00 . A A . 10 PHE CB 1 1
15 2565 1 1 10 PHE CD1 C -5.794 5.589 -0.357 1.00 . A A . 10 PHE CD1 1 1
15 2566 1 1 10 PHE CD2 C -4.614 7.443 -1.287 1.00 . A A . 10 PHE CD2 1 1
15 2567 1 1 10 PHE CE1 C -5.631 4.889 -1.538 1.00 . A A . 10 PHE CE1 1 1
15 2568 1 1 10 PHE CE2 C -4.449 6.747 -2.471 1.00 . A A . 10 PHE CE2 1 1
15 2569 1 1 10 PHE CG C -5.287 6.873 -0.218 1.00 . A A . 10 PHE CG 1 1
15 2570 1 1 10 PHE CZ C -4.957 5.469 -2.596 1.00 . A A . 10 PHE CZ 1 1
15 2571 1 1 10 PHE H H -5.642 8.564 3.429 1.00 . A A . 10 PHE H 1 1
15 2572 1 1 10 PHE HA H -5.856 6.000 2.393 1.00 . A A . 10 PHE HA 1 1
15 2573 1 1 10 PHE HB2 H -6.483 7.978 1.113 1.00 . A A . 10 PHE HB2 1 1
15 2574 1 1 10 PHE HB3 H -4.803 8.492 1.039 1.00 . A A . 10 PHE HB3 1 1
15 2575 1 1 10 PHE HD1 H -6.321 5.136 0.470 1.00 . A A . 10 PHE HD1 1 1
15 2576 1 1 10 PHE HD2 H -4.216 8.442 -1.190 1.00 . A A . 10 PHE HD2 1 1
15 2577 1 1 10 PHE HE1 H -6.030 3.890 -1.633 1.00 . A A . 10 PHE HE1 1 1
15 2578 1 1 10 PHE HE2 H -3.921 7.203 -3.296 1.00 . A A . 10 PHE HE2 1 1
15 2579 1 1 10 PHE HZ H -4.828 4.923 -3.519 1.00 . A A . 10 PHE HZ 1 1
15 2580 1 1 10 PHE N N -5.323 7.642 3.527 1.00 . A A . 10 PHE N 1 1
15 2581 1 1 10 PHE O O -3.555 5.087 1.851 1.00 . A A . 10 PHE O 1 1
15 2582 1 1 11 . C C -1.101 5.470 3.567 1.00 . A A . 11 PH8 C 1 1
15 2583 1 1 11 . CA C -1.348 6.622 2.588 1.00 . A A . 11 PH8 CA 1 1
15 2584 1 1 11 . CB C -0.423 7.797 2.922 1.00 . A A . 11 PH8 CB 1 1
15 2585 1 1 11 . CD1 C 2.736 5.978 -0.409 1.00 . A A . 11 PH8 CD1 1 1
15 2586 1 1 11 . CD2 C 3.636 6.607 1.709 1.00 . A A . 11 PH8 CD2 1 1
15 2587 1 1 11 . CE1 C 3.919 5.337 -0.724 1.00 . A A . 11 PH8 CE1 1 1
15 2588 1 1 11 . CE2 C 4.821 5.966 1.399 1.00 . A A . 11 PH8 CE2 1 1
15 2589 1 1 11 . CG C 2.580 6.621 0.809 1.00 . A A . 11 PH8 CG 1 1
15 2590 1 1 11 . CI C 1.045 7.525 2.628 1.00 . A A . 11 PH8 CI 1 1
15 2591 1 1 11 . CJ C 1.287 7.320 1.139 1.00 . A A . 11 PH8 CJ 1 1
15 2592 1 1 11 . CZ C 4.962 5.330 0.181 1.00 . A A . 11 PH8 CZ 1 1
15 2593 1 1 11 . HA H -1.131 6.279 1.588 1.00 . A A . 11 PH8 HA 1 1
15 2594 1 1 11 . HB H -0.730 8.657 2.345 1.00 . A A . 11 PH8 HB 1 1
15 2595 1 1 11 . HBA H -0.520 8.028 3.973 1.00 . A A . 11 PH8 HBA 1 1
15 2596 1 1 11 . HD1 H 1.922 5.982 -1.119 1.00 . A A . 11 PH8 HD1 1 1
15 2597 1 1 11 . HD2 H 3.527 7.103 2.662 1.00 . A A . 11 PH8 HD2 1 1
15 2598 1 1 11 . HE1 H 4.028 4.840 -1.677 1.00 . A A . 11 PH8 HE1 1 1
15 2599 1 1 11 . HE2 H 5.634 5.962 2.109 1.00 . A A . 11 PH8 HE2 1 1
15 2600 1 1 11 . HI H 1.632 8.366 2.966 1.00 . A A . 11 PH8 HI 1 1
15 2601 1 1 11 . HIA H 1.349 6.635 3.160 1.00 . A A . 11 PH8 HIA 1 1
15 2602 1 1 11 . HJ H 1.298 8.285 0.656 1.00 . A A . 11 PH8 HJ 1 1
15 2603 1 1 11 . HJA H 0.477 6.730 0.736 1.00 . A A . 11 PH8 HJA 1 1
15 2604 1 1 11 . HN H -2.960 7.955 2.923 1.00 . A A . 11 PH8 HN 1 1
15 2605 1 1 11 . HZ H 5.887 4.830 -0.063 1.00 . A A . 11 PH8 HZ 1 1
15 2606 1 1 11 . N N -2.746 7.049 2.619 1.00 . A A . 11 PH8 N 1 1
15 2607 1 1 11 . O O -0.355 4.539 3.266 1.00 . A A . 11 PH8 O 1 1
15 2608 1 1 12 NH2 HN1 H -2.309 6.302 4.921 1.00 . A A . 12 NH2 HN1 1 1
15 2609 1 1 12 NH2 HN2 H -1.581 4.805 5.382 1.00 . A A . 12 NH2 HN2 1 1
15 2610 1 1 12 NH2 N N -1.727 5.533 4.742 1.00 . A A . 12 NH2 N 1 1
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