Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
622676 | 5ojt RC | 34165 | cing | 4-filtered-FRED | STAR | entry | full | 23 |
data_FRED_restraints_with_modified_coordinates_PDB_code_5ojt
# This FRED archive file contains, for PDB entry <5ojt>:
#
# - 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_5ojt
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 5ojt
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 970.18
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 $ACE_ARG_ALA__D_CYS_ARG_BNA_HIS_PEN A . 1 1
stop_
save_
save_ACE_ARG_ALA__D_CYS_ARG_BNA_HIS_PEN
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "ACE ARG ALA D CYS ARG BNA HIS PEN"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XRAXRXHX
_Entity.Number_of_monomers 8
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 ACE $ACE 1 1
2 ARG . 1 1
3 ALA . 1 1
4 . $. 1 1
5 ARG . 1 1
6 NAL $NAL 1 1
7 HIS . 1 1
8 . $. 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
ACE 1 1 1 1
ARG 2 2 1 1
ALA 3 3 1 1
. 4 4 1 1
ARG 5 5 1 1
NAL 6 6 1 1
HIS 7 7 1 1
. 8 8 1 1
stop_
save_
save_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ACE
_Chem_comp.Type non-polymer
save_
save_NAL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NAL
_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_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
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 2 ARG H . 2 ARG HN 1 1
1 1 2 1 1 2 ARG QG . 2 ARG QG 1 1
2 1 1 1 1 2 ARG H . 2 ARG HN 1 1
2 1 2 1 1 3 ALA H . 3 ALA HN 1 1
3 1 1 1 1 2 ARG HA . 2 ARG HA 1 1
3 1 2 1 1 3 ALA H . 3 ALA HN 1 1
4 1 1 1 1 2 ARG HA . 2 ARG HA 1 1
4 1 2 1 1 3 ALA MB . 3 ALA QB 1 1
5 1 1 1 1 2 ARG QB . 2 ARG QB 1 1
5 1 2 1 1 3 ALA H . 3 ALA HN 1 1
6 1 1 1 1 2 ARG QG . 2 ARG QG 1 1
6 1 2 1 1 3 ALA H . 3 ALA HN 1 1
7 1 1 1 1 3 ALA MB . 3 ALA QB 1 1
7 1 2 1 1 5 ARG H . 5 ARG HN 1 1
8 1 1 1 1 3 ALA MB . 3 ALA QB 1 1
8 1 2 1 1 5 ARG QD . 5 ARG QD 1 1
9 1 1 1 1 3 ALA MB . 3 ALA QB 1 1
9 1 2 1 1 5 ARG HE . 5 ARG HE 1 1
10 1 1 1 1 5 ARG H . 5 ARG HN 1 1
10 1 2 1 1 5 ARG QB . 5 ARG HB2 1 1
11 1 1 1 1 5 ARG H . 5 ARG HN 1 1
11 1 2 1 1 5 ARG QG . 5 ARG QG 1 1
12 1 1 1 1 5 ARG H . 5 ARG HN 1 1
12 1 2 1 1 7 HIS H . 7 HIS HN 1 1
13 1 1 1 1 5 ARG HA . 5 ARG HA 1 1
13 1 2 1 1 5 ARG QD . 5 ARG QD 1 1
14 1 1 1 1 5 ARG HA . 5 ARG HA 1 1
14 1 2 1 1 5 ARG HG2 . 5 ARG HG2 1 1
15 1 1 1 1 5 ARG HA . 5 ARG HA 1 1
15 1 2 1 1 5 ARG HG3 . 5 ARG HG3 1 1
16 1 1 1 1 5 ARG QB . 5 ARG HB2 1 1
16 1 2 1 1 5 ARG HE . 5 ARG HE 1 1
17 1 1 1 1 5 ARG HE . 5 ARG HE 1 1
17 1 2 1 1 5 ARG HG2 . 5 ARG HG2 1 1
18 1 1 1 1 5 ARG HE . 5 ARG HE 1 1
18 1 2 1 1 5 ARG HG3 . 5 ARG HG3 1 1
19 1 1 1 1 7 HIS H . 7 HIS HN 1 1
19 1 2 1 1 7 HIS HA . 7 HIS HA 1 1
20 1 1 1 1 7 HIS H . 7 HIS HN 1 1
20 1 2 1 1 7 HIS HB2 . 7 HIS HB2 1 1
21 1 1 1 1 7 HIS H . 7 HIS HN 1 1
21 1 2 1 1 7 HIS HB3 . 7 HIS HB3 1 1
22 1 1 1 1 7 HIS H . 7 HIS HN 1 1
22 1 2 1 1 7 HIS HD2 . 7 HIS HD2 1 1
23 1 1 1 1 7 HIS HA . 7 HIS HA 1 1
23 1 2 1 1 7 HIS HD2 . 7 HIS HD2 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 . . . . . . . 4.76 1 1
2 1 . . . . . . . 3.24 1 1
3 1 . . . . . . . 3.02 1 1
4 1 . . . . . . . 6.31 1 1
5 1 . . . . . . . 4.58 1 1
6 1 . . . . . . . 6.38 1 1
7 1 . . . . . . . 5.29 1 1
8 1 . . . . . . . 6.3 1 1
9 1 . . . . . . . 6.53 1 1
10 1 . . . . . . . 2.89 1 1
11 1 . . . . . . . 4.41 1 1
12 1 . . . . . . . 4.57 1 1
13 1 . . . . . . . 4.1 1 1
14 1 . . . . . . . 4.07 1 1
15 1 . . . . . . . 4.07 1 1
16 1 . . . . . . . 5.04 1 1
17 1 . . . . . . . 4.23 1 1
18 1 . . . . . . . 4.23 1 1
19 1 . . . . . . . 2.93 1 1
20 1 . . . . . . . 3.48 1 1
21 1 . . . . . . . 3.48 1 1
22 1 . . . . . . . 4.82 1 1
23 1 . . . . . . . 3.76 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ACE C C 1.728 -2.005 6.857 1.00 . A A . 1 ACE C 1 1
1 2 1 1 1 ACE CH3 C 2.296 -3.402 7.026 1.00 . A A . 1 ACE CH3 1 1
1 3 1 1 1 ACE H1 H 2.019 -3.812 8.013 1.00 . A A . 1 ACE H1 1 1
1 4 1 1 1 ACE H2 H 1.885 -4.078 6.258 1.00 . A A . 1 ACE H2 1 1
1 5 1 1 1 ACE H3 H 3.399 -3.428 6.962 1.00 . A A . 1 ACE H3 1 1
1 6 1 1 1 ACE O O 0.691 -1.685 7.434 1.00 . A A . 1 ACE O 1 1
1 7 1 1 2 ARG C C 0.957 0.399 4.595 1.00 . A A . 2 ARG C 1 1
1 8 1 1 2 ARG CA C 1.981 0.218 5.768 1.00 . A A . 2 ARG CA 1 1
1 9 1 1 2 ARG CB C 3.241 1.150 5.752 1.00 . A A . 2 ARG CB 1 1
1 10 1 1 2 ARG CD C 3.052 2.844 3.778 1.00 . A A . 2 ARG CD 1 1
1 11 1 1 2 ARG CG C 3.846 1.682 4.422 1.00 . A A . 2 ARG CG 1 1
1 12 1 1 2 ARG CZ C 3.595 5.030 2.678 1.00 . A A . 2 ARG CZ 1 1
1 13 1 1 2 ARG H H 3.289 -1.596 5.716 1.00 . A A . 2 ARG H 1 1
1 14 1 1 2 ARG HA H 1.409 0.561 6.656 1.00 . A A . 2 ARG HA 1 1
1 15 1 1 2 ARG HB2 H 3.014 2.029 6.387 1.00 . A A . 2 ARG HB2 1 1
1 16 1 1 2 ARG HB3 H 4.062 0.670 6.323 1.00 . A A . 2 ARG HB3 1 1
1 17 1 1 2 ARG HD2 H 2.345 2.437 3.026 1.00 . A A . 2 ARG HD2 1 1
1 18 1 1 2 ARG HD3 H 2.418 3.338 4.542 1.00 . A A . 2 ARG HD3 1 1
1 19 1 1 2 ARG HE H 4.981 3.703 3.176 1.00 . A A . 2 ARG HE 1 1
1 20 1 1 2 ARG HG2 H 4.883 1.998 4.652 1.00 . A A . 2 ARG HG2 1 1
1 21 1 1 2 ARG HG3 H 3.974 0.865 3.688 1.00 . A A . 2 ARG HG3 1 1
1 22 1 1 2 ARG HH11 H 4.216 6.777 1.961 1.00 . A A . 2 ARG HH11 1 1
1 23 1 1 2 ARG HH12 H 5.492 5.563 2.414 1.00 . A A . 2 ARG HH12 1 1
1 24 1 1 2 ARG HH21 H 2.144 6.341 2.204 1.00 . A A . 2 ARG HH21 1 1
1 25 1 1 2 ARG HH22 H 1.666 4.710 2.879 1.00 . A A . 2 ARG HH22 1 1
1 26 1 1 2 ARG N N 2.405 -1.194 6.041 1.00 . A A . 2 ARG N 1 1
1 27 1 1 2 ARG NE N 3.966 3.840 3.153 1.00 . A A . 2 ARG NE 1 1
1 28 1 1 2 ARG NH1 N 4.522 5.863 2.302 1.00 . A A . 2 ARG NH1 1 1
1 29 1 1 2 ARG NH2 N 2.344 5.409 2.571 1.00 . A A . 2 ARG NH2 1 1
1 30 1 1 2 ARG O O 0.061 1.240 4.698 1.00 . A A . 2 ARG O 1 1
1 31 1 1 3 ALA C C -0.803 -1.590 2.191 1.00 . A A . 3 ALA C 1 1
1 32 1 1 3 ALA CA C 0.128 -0.336 2.352 1.00 . A A . 3 ALA CA 1 1
1 33 1 1 3 ALA CB C 0.987 -0.112 1.092 1.00 . A A . 3 ALA CB 1 1
1 34 1 1 3 ALA H H 1.868 -1.021 3.542 1.00 . A A . 3 ALA H 1 1
1 35 1 1 3 ALA HA H -0.559 0.531 2.436 1.00 . A A . 3 ALA HA 1 1
1 36 1 1 3 ALA HB1 H 1.662 -0.964 0.881 1.00 . A A . 3 ALA HB1 1 1
1 37 1 1 3 ALA HB2 H 0.358 0.029 0.194 1.00 . A A . 3 ALA HB2 1 1
1 38 1 1 3 ALA HB3 H 1.617 0.794 1.167 1.00 . A A . 3 ALA HB3 1 1
1 39 1 1 3 ALA N N 1.100 -0.348 3.484 1.00 . A A . 3 ALA N 1 1
1 40 1 1 3 ALA O O -1.596 -1.619 1.245 1.00 . A A . 3 ALA O 1 1
1 41 1 1 4 . C C -1.179 -4.713 1.554 1.00 . A A . 4 DCY C 1 1
1 42 1 1 4 . CA C -1.493 -3.899 2.865 1.00 . A A . 4 DCY CA 1 1
1 43 1 1 4 . CB C -1.373 -4.735 4.163 1.00 . A A . 4 DCY CB 1 1
1 44 1 1 4 . H H -0.173 -2.437 3.890 1.00 . A A . 4 DCY H 1 1
1 45 1 1 4 . HA H -2.561 -3.611 2.788 1.00 . A A . 4 DCY HA 1 1
1 46 1 1 4 . HB2 H -1.373 -4.119 5.083 1.00 . A A . 4 DCY HB2 1 1
1 47 1 1 4 . HB3 H -2.257 -5.394 4.254 1.00 . A A . 4 DCY HB3 1 1
1 48 1 1 4 . N N -0.718 -2.634 3.045 1.00 . A A . 4 DCY N 1 1
1 49 1 1 4 . O O -2.108 -5.138 0.864 1.00 . A A . 4 DCY O 1 1
1 50 1 1 4 . SG S 0.081 -5.803 4.127 1.00 . A A . 4 DCY SG 1 1
1 51 1 1 5 ARG C C 1.905 -6.231 -0.005 1.00 . A A . 5 ARG C 1 1
1 52 1 1 5 ARG CA C 0.570 -5.414 -0.119 1.00 . A A . 5 ARG CA 1 1
1 53 1 1 5 ARG CB C 0.702 -4.250 -1.156 1.00 . A A . 5 ARG CB 1 1
1 54 1 1 5 ARG CD C -0.728 -2.288 -2.051 1.00 . A A . 5 ARG CD 1 1
1 55 1 1 5 ARG CG C -0.607 -3.815 -1.861 1.00 . A A . 5 ARG CG 1 1
1 56 1 1 5 ARG CZ C -3.209 -1.872 -2.165 1.00 . A A . 5 ARG CZ 1 1
1 57 1 1 5 ARG H H 0.757 -4.484 1.892 1.00 . A A . 5 ARG H 1 1
1 58 1 1 5 ARG HA H -0.177 -6.141 -0.498 1.00 . A A . 5 ARG HA 1 1
1 59 1 1 5 ARG HB2 H 1.197 -3.386 -0.667 1.00 . A A . 5 ARG HB2 1 1
1 60 1 1 5 ARG HB3 H 1.414 -4.536 -1.954 1.00 . A A . 5 ARG HB3 1 1
1 61 1 1 5 ARG HD2 H -0.621 -1.761 -1.082 1.00 . A A . 5 ARG HD2 1 1
1 62 1 1 5 ARG HD3 H 0.130 -1.924 -2.653 1.00 . A A . 5 ARG HD3 1 1
1 63 1 1 5 ARG HE H -2.006 -1.690 -3.732 1.00 . A A . 5 ARG HE 1 1
1 64 1 1 5 ARG HG2 H -0.684 -4.327 -2.841 1.00 . A A . 5 ARG HG2 1 1
1 65 1 1 5 ARG HG3 H -1.487 -4.181 -1.302 1.00 . A A . 5 ARG HG3 1 1
1 66 1 1 5 ARG HH11 H -5.146 -1.559 -2.465 1.00 . A A . 5 ARG HH11 1 1
1 67 1 1 5 ARG HH12 H -4.042 -1.380 -3.900 1.00 . A A . 5 ARG HH12 1 1
1 68 1 1 5 ARG HH21 H -4.395 -2.080 -0.555 1.00 . A A . 5 ARG HH21 1 1
1 69 1 1 5 ARG HH22 H -2.594 -2.253 -0.317 1.00 . A A . 5 ARG HH22 1 1
1 70 1 1 5 ARG N N 0.113 -4.868 1.195 1.00 . A A . 5 ARG N 1 1
1 71 1 1 5 ARG NE N -1.999 -1.909 -2.732 1.00 . A A . 5 ARG NE 1 1
1 72 1 1 5 ARG NH1 N -4.230 -1.578 -2.917 1.00 . A A . 5 ARG NH1 1 1
1 73 1 1 5 ARG NH2 N -3.435 -2.115 -0.896 1.00 . A A . 5 ARG NH2 1 1
1 74 1 1 5 ARG O O 1.955 -7.374 -0.459 1.00 . A A . 5 ARG O 1 1
1 75 1 1 6 NAL C1 C 5.441 -2.665 0.306 1.00 . A A . 6 NAL C1 1 1
1 76 1 1 6 NAL C2 C 5.039 -3.726 -0.509 1.00 . A A . 6 NAL C2 1 1
1 77 1 1 6 NAL C3 C 4.231 -3.479 -1.622 1.00 . A A . 6 NAL C3 1 1
1 78 1 1 6 NAL C4 C 3.776 -2.196 -1.905 1.00 . A A . 6 NAL C4 1 1
1 79 1 1 6 NAL C4A C 4.149 -1.127 -1.093 1.00 . A A . 6 NAL C4A 1 1
1 80 1 1 6 NAL C5 C 3.701 0.169 -1.353 1.00 . A A . 6 NAL C5 1 1
1 81 1 1 6 NAL C6 C 4.101 1.225 -0.540 1.00 . A A . 6 NAL C6 1 1
1 82 1 1 6 NAL C7 C 4.958 1.004 0.533 1.00 . A A . 6 NAL C7 1 1
1 83 1 1 6 NAL C8 C 5.421 -0.278 0.814 1.00 . A A . 6 NAL C8 1 1
1 84 1 1 6 NAL C8A C 5.018 -1.360 0.029 1.00 . A A . 6 NAL C8A 1 1
1 85 1 1 6 NAL C9 C 5.435 -5.188 -0.180 1.00 . A A . 6 NAL C9 1 1
1 86 1 1 6 NAL H1 H 6.082 -2.861 1.155 1.00 . A A . 6 NAL H1 1 1
1 87 1 1 6 NAL H3 H 3.924 -4.298 -2.258 1.00 . A A . 6 NAL H3 1 1
1 88 1 1 6 NAL H4 H 3.134 -2.048 -2.763 1.00 . A A . 6 NAL H4 1 1
1 89 1 1 6 NAL H5 H 3.043 0.374 -2.189 1.00 . A A . 6 NAL H5 1 1
1 90 1 1 6 NAL H6 H 3.753 2.226 -0.753 1.00 . A A . 6 NAL H6 1 1
1 91 1 1 6 NAL H7 H 5.277 1.836 1.144 1.00 . A A . 6 NAL H7 1 1
1 92 1 1 6 NAL H8 H 6.105 -0.414 1.641 1.00 . A A . 6 NAL H8 1 1
1 93 1 1 6 NAL H91 H 6.352 -5.175 0.441 1.00 . A A . 6 NAL H91 1 1
1 94 1 1 6 NAL H92 H 5.814 -5.640 -1.117 1.00 . A A . 6 NAL H92 1 1
1 95 1 1 6 NAL N N 2.994 -5.631 0.523 1.00 . A A . 6 NAL N 1 1
1 96 1 1 7 HIS C C 4.395 -7.603 4.825 1.00 . A A . 7 HIS C 1 1
1 97 1 1 7 HIS CA C 5.303 -6.461 4.247 1.00 . A A . 7 HIS CA 1 1
1 98 1 1 7 HIS CB C 5.390 -5.264 5.269 1.00 . A A . 7 HIS CB 1 1
1 99 1 1 7 HIS CD2 C 6.412 -2.851 4.974 1.00 . A A . 7 HIS CD2 1 1
1 100 1 1 7 HIS CE1 C 4.866 -1.998 3.845 1.00 . A A . 7 HIS CE1 1 1
1 101 1 1 7 HIS CG C 5.397 -3.804 4.787 1.00 . A A . 7 HIS CG 1 1
1 102 1 1 7 HIS H H 4.940 -5.017 2.616 1.00 . A A . 7 HIS H 1 1
1 103 1 1 7 HIS HA H 6.320 -6.901 4.196 1.00 . A A . 7 HIS HA 1 1
1 104 1 1 7 HIS HB2 H 4.558 -5.327 5.996 1.00 . A A . 7 HIS HB2 1 1
1 105 1 1 7 HIS HB3 H 6.279 -5.432 5.907 1.00 . A A . 7 HIS HB3 1 1
1 106 1 1 7 HIS HD1 H 3.491 -3.680 3.744 1.00 . A A . 7 HIS HD1 1 1
1 107 1 1 7 HIS HD2 H 7.332 -3.029 5.511 1.00 . A A . 7 HIS HD2 1 1
1 108 1 1 7 HIS HE1 H 4.324 -1.306 3.219 1.00 . A A . 7 HIS HE1 1 1
1 109 1 1 7 HIS N N 4.989 -6.014 2.849 1.00 . A A . 7 HIS N 1 1
1 110 1 1 7 HIS ND1 N 4.352 -3.238 4.080 1.00 . A A . 7 HIS ND1 1 1
1 111 1 1 7 HIS NE2 N 6.084 -1.648 4.359 1.00 . A A . 7 HIS NE2 1 1
1 112 1 1 7 HIS O O 4.915 -8.571 5.384 1.00 . A A . 7 HIS O 1 1
1 113 1 1 8 . C C 1.727 -9.090 3.379 1.00 . A A . 8 LE1 C 1 1
1 114 1 1 8 . C8 C 1.105 -7.491 6.981 1.00 . A A . 8 LE1 C8 1 1
1 115 1 1 8 . C9 C 0.289 -9.722 6.256 1.00 . A A . 8 LE1 C9 1 1
1 116 1 1 8 . CA C 2.127 -8.651 4.821 1.00 . A A . 8 LE1 CA 1 1
1 117 1 1 8 . CB C 0.870 -8.386 5.741 1.00 . A A . 8 LE1 CB 1 1
1 118 1 1 8 . H8 H 1.403 -6.468 6.690 1.00 . A A . 8 LE1 H8 1 1
1 119 1 1 8 . H8A H 0.195 -7.386 7.601 1.00 . A A . 8 LE1 H8A 1 1
1 120 1 1 8 . H8B H 1.907 -7.887 7.631 1.00 . A A . 8 LE1 H8B 1 1
1 121 1 1 8 . H9 H -0.654 -9.576 6.816 1.00 . A A . 8 LE1 H9 1 1
1 122 1 1 8 . H9A H 0.056 -10.420 5.429 1.00 . A A . 8 LE1 H9A 1 1
1 123 1 1 8 . H9B H 0.989 -10.247 6.933 1.00 . A A . 8 LE1 H9B 1 1
1 124 1 1 8 . HA H 2.680 -9.501 5.271 1.00 . A A . 8 LE1 HA 1 1
1 125 1 1 8 . HN H 2.805 -6.691 4.086 1.00 . A A . 8 LE1 HN 1 1
1 126 1 1 8 . HXT H 1.671 -10.599 2.244 1.00 . A A . 8 LE1 HXT 1 1
1 127 1 1 8 . N N 3.059 -7.491 4.673 1.00 . A A . 8 LE1 N 1 1
1 128 1 1 8 . O O 1.276 -8.330 2.520 1.00 . A A . 8 LE1 O 1 1
1 129 1 1 8 . OXT O 1.917 -10.420 3.154 1.00 . A A . 8 LE1 OXT 1 1
1 130 1 1 8 . SG S -0.443 -7.628 4.749 1.00 . A A . 8 LE1 SG 1 1
2 131 1 1 1 ACE C C 2.093 -1.933 7.232 1.00 . A A . 1 ACE C 1 1
2 132 1 1 1 ACE CH3 C 2.616 -3.347 7.359 1.00 . A A . 1 ACE CH3 1 1
2 133 1 1 1 ACE H1 H 1.776 -4.041 7.219 1.00 . A A . 1 ACE H1 1 1
2 134 1 1 1 ACE H2 H 3.406 -3.608 6.635 1.00 . A A . 1 ACE H2 1 1
2 135 1 1 1 ACE H3 H 3.019 -3.521 8.371 1.00 . A A . 1 ACE H3 1 1
2 136 1 1 1 ACE O O 1.422 -1.443 8.137 1.00 . A A . 1 ACE O 1 1
2 137 1 1 2 ARG C C 0.953 0.310 4.657 1.00 . A A . 2 ARG C 1 1
2 138 1 1 2 ARG CA C 1.984 0.113 5.822 1.00 . A A . 2 ARG CA 1 1
2 139 1 1 2 ARG CB C 3.271 1.000 5.799 1.00 . A A . 2 ARG CB 1 1
2 140 1 1 2 ARG CD C 5.180 2.265 4.468 1.00 . A A . 2 ARG CD 1 1
2 141 1 1 2 ARG CG C 3.733 1.689 4.485 1.00 . A A . 2 ARG CG 1 1
2 142 1 1 2 ARG CZ C 5.335 3.795 6.471 1.00 . A A . 2 ARG CZ 1 1
2 143 1 1 2 ARG H H 3.095 -1.804 5.549 1.00 . A A . 2 ARG H 1 1
2 144 1 1 2 ARG HA H 1.408 0.482 6.697 1.00 . A A . 2 ARG HA 1 1
2 145 1 1 2 ARG HB2 H 3.114 1.806 6.541 1.00 . A A . 2 ARG HB2 1 1
2 146 1 1 2 ARG HB3 H 4.132 0.449 6.230 1.00 . A A . 2 ARG HB3 1 1
2 147 1 1 2 ARG HD2 H 5.851 1.463 4.094 1.00 . A A . 2 ARG HD2 1 1
2 148 1 1 2 ARG HD3 H 5.272 3.050 3.688 1.00 . A A . 2 ARG HD3 1 1
2 149 1 1 2 ARG HE H 6.457 2.179 6.252 1.00 . A A . 2 ARG HE 1 1
2 150 1 1 2 ARG HG2 H 3.637 0.983 3.638 1.00 . A A . 2 ARG HG2 1 1
2 151 1 1 2 ARG HG3 H 3.012 2.493 4.240 1.00 . A A . 2 ARG HG3 1 1
2 152 1 1 2 ARG HH11 H 5.494 4.776 8.193 1.00 . A A . 2 ARG HH11 1 1
2 153 1 1 2 ARG HH12 H 6.515 3.285 7.986 1.00 . A A . 2 ARG HH12 1 1
2 154 1 1 2 ARG HH21 H 4.175 5.430 6.640 1.00 . A A . 2 ARG HH21 1 1
2 155 1 1 2 ARG HH22 H 4.096 4.438 5.100 1.00 . A A . 2 ARG HH22 1 1
2 156 1 1 2 ARG N N 2.388 -1.303 6.096 1.00 . A A . 2 ARG N 1 1
2 157 1 1 2 ARG NE N 5.747 2.739 5.769 1.00 . A A . 2 ARG NE 1 1
2 158 1 1 2 ARG NH1 N 5.838 3.978 7.657 1.00 . A A . 2 ARG NH1 1 1
2 159 1 1 2 ARG NH2 N 4.446 4.650 6.037 1.00 . A A . 2 ARG NH2 1 1
2 160 1 1 2 ARG O O 0.101 1.193 4.756 1.00 . A A . 2 ARG O 1 1
2 161 1 1 3 ALA C C -0.878 -1.660 2.222 1.00 . A A . 3 ALA C 1 1
2 162 1 1 3 ALA CA C 0.060 -0.416 2.434 1.00 . A A . 3 ALA CA 1 1
2 163 1 1 3 ALA CB C 0.933 -0.147 1.188 1.00 . A A . 3 ALA CB 1 1
2 164 1 1 3 ALA H H 1.779 -1.173 3.609 1.00 . A A . 3 ALA H 1 1
2 165 1 1 3 ALA HA H -0.623 0.451 2.547 1.00 . A A . 3 ALA HA 1 1
2 166 1 1 3 ALA HB1 H 1.574 0.748 1.310 1.00 . A A . 3 ALA HB1 1 1
2 167 1 1 3 ALA HB2 H 1.600 -0.996 0.943 1.00 . A A . 3 ALA HB2 1 1
2 168 1 1 3 ALA HB3 H 0.313 0.043 0.294 1.00 . A A . 3 ALA HB3 1 1
2 169 1 1 3 ALA N N 1.032 -0.477 3.566 1.00 . A A . 3 ALA N 1 1
2 170 1 1 3 ALA O O -1.629 -1.676 1.243 1.00 . A A . 3 ALA O 1 1
2 171 1 1 4 . C C -1.149 -4.698 1.422 1.00 . A A . 4 DCY C 1 1
2 172 1 1 4 . CA C -1.510 -4.028 2.796 1.00 . A A . 4 DCY CA 1 1
2 173 1 1 4 . CB C -1.290 -4.944 4.035 1.00 . A A . 4 DCY CB 1 1
2 174 1 1 4 . H H -0.324 -2.525 3.932 1.00 . A A . 4 DCY H 1 1
2 175 1 1 4 . HA H -2.600 -3.838 2.743 1.00 . A A . 4 DCY HA 1 1
2 176 1 1 4 . HB2 H -0.387 -4.654 4.598 1.00 . A A . 4 DCY HB2 1 1
2 177 1 1 4 . HB3 H -2.127 -4.846 4.751 1.00 . A A . 4 DCY HB3 1 1
2 178 1 1 4 . N N -0.841 -2.713 3.068 1.00 . A A . 4 DCY N 1 1
2 179 1 1 4 . O O -2.061 -5.002 0.650 1.00 . A A . 4 DCY O 1 1
2 180 1 1 4 . SG S -1.087 -6.691 3.585 1.00 . A A . 4 DCY SG 1 1
2 181 1 1 5 ARG C C 1.950 -6.223 -0.087 1.00 . A A . 5 ARG C 1 1
2 182 1 1 5 ARG CA C 0.628 -5.388 -0.211 1.00 . A A . 5 ARG CA 1 1
2 183 1 1 5 ARG CB C 0.775 -4.207 -1.228 1.00 . A A . 5 ARG CB 1 1
2 184 1 1 5 ARG CD C -0.723 -2.257 -2.054 1.00 . A A . 5 ARG CD 1 1
2 185 1 1 5 ARG CG C -0.513 -3.784 -1.983 1.00 . A A . 5 ARG CG 1 1
2 186 1 1 5 ARG CZ C -3.224 -1.951 -2.126 1.00 . A A . 5 ARG CZ 1 1
2 187 1 1 5 ARG H H 0.774 -4.739 1.911 1.00 . A A . 5 ARG H 1 1
2 188 1 1 5 ARG HA H -0.115 -6.105 -0.617 1.00 . A A . 5 ARG HA 1 1
2 189 1 1 5 ARG HB2 H 1.242 -3.342 -0.715 1.00 . A A . 5 ARG HB2 1 1
2 190 1 1 5 ARG HB3 H 1.519 -4.476 -2.004 1.00 . A A . 5 ARG HB3 1 1
2 191 1 1 5 ARG HD2 H -0.642 -1.798 -1.050 1.00 . A A . 5 ARG HD2 1 1
2 192 1 1 5 ARG HD3 H 0.109 -1.801 -2.628 1.00 . A A . 5 ARG HD3 1 1
2 193 1 1 5 ARG HE H -2.048 -1.625 -3.690 1.00 . A A . 5 ARG HE 1 1
2 194 1 1 5 ARG HG2 H -0.498 -4.209 -3.006 1.00 . A A . 5 ARG HG2 1 1
2 195 1 1 5 ARG HG3 H -1.401 -4.254 -1.525 1.00 . A A . 5 ARG HG3 1 1
2 196 1 1 5 ARG HH11 H -5.175 -1.697 -2.380 1.00 . A A . 5 ARG HH11 1 1
2 197 1 1 5 ARG HH12 H -4.102 -1.386 -3.818 1.00 . A A . 5 ARG HH12 1 1
2 198 1 1 5 ARG HH21 H -4.380 -2.301 -0.518 1.00 . A A . 5 ARG HH21 1 1
2 199 1 1 5 ARG HH22 H -2.571 -2.419 -0.314 1.00 . A A . 5 ARG HH22 1 1
2 200 1 1 5 ARG N N 0.149 -4.881 1.112 1.00 . A A . 5 ARG N 1 1
2 201 1 1 5 ARG NE N -2.019 -1.904 -2.706 1.00 . A A . 5 ARG NE 1 1
2 202 1 1 5 ARG NH1 N -4.266 -1.653 -2.846 1.00 . A A . 5 ARG NH1 1 1
2 203 1 1 5 ARG NH2 N -3.425 -2.282 -0.875 1.00 . A A . 5 ARG NH2 1 1
2 204 1 1 5 ARG O O 1.985 -7.367 -0.544 1.00 . A A . 5 ARG O 1 1
2 205 1 1 6 NAL C1 C 5.492 -2.713 0.295 1.00 . A A . 6 NAL C1 1 1
2 206 1 1 6 NAL C2 C 5.109 -3.769 -0.536 1.00 . A A . 6 NAL C2 1 1
2 207 1 1 6 NAL C3 C 4.312 -3.516 -1.656 1.00 . A A . 6 NAL C3 1 1
2 208 1 1 6 NAL C4 C 3.844 -2.236 -1.926 1.00 . A A . 6 NAL C4 1 1
2 209 1 1 6 NAL C4A C 4.194 -1.175 -1.095 1.00 . A A . 6 NAL C4A 1 1
2 210 1 1 6 NAL C5 C 3.729 0.119 -1.342 1.00 . A A . 6 NAL C5 1 1
2 211 1 1 6 NAL C6 C 4.115 1.170 -0.516 1.00 . A A . 6 NAL C6 1 1
2 212 1 1 6 NAL C7 C 4.971 0.947 0.559 1.00 . A A . 6 NAL C7 1 1
2 213 1 1 6 NAL C8 C 5.445 -0.334 0.830 1.00 . A A . 6 NAL C8 1 1
2 214 1 1 6 NAL C8A C 5.058 -1.411 0.030 1.00 . A A . 6 NAL C8A 1 1
2 215 1 1 6 NAL C9 C 5.490 -5.235 -0.206 1.00 . A A . 6 NAL C9 1 1
2 216 1 1 6 NAL H1 H 6.124 -2.914 1.151 1.00 . A A . 6 NAL H1 1 1
2 217 1 1 6 NAL H3 H 4.016 -4.331 -2.302 1.00 . A A . 6 NAL H3 1 1
2 218 1 1 6 NAL H4 H 3.206 -2.085 -2.787 1.00 . A A . 6 NAL H4 1 1
2 219 1 1 6 NAL H5 H 3.074 0.325 -2.178 1.00 . A A . 6 NAL H5 1 1
2 220 1 1 6 NAL H6 H 3.758 2.169 -0.720 1.00 . A A . 6 NAL H6 1 1
2 221 1 1 6 NAL H7 H 5.281 1.777 1.176 1.00 . A A . 6 NAL H7 1 1
2 222 1 1 6 NAL H8 H 6.130 -0.471 1.655 1.00 . A A . 6 NAL H8 1 1
2 223 1 1 6 NAL H91 H 6.397 -5.230 0.430 1.00 . A A . 6 NAL H91 1 1
2 224 1 1 6 NAL H92 H 5.879 -5.689 -1.138 1.00 . A A . 6 NAL H92 1 1
2 225 1 1 6 NAL N N 3.037 -5.648 0.468 1.00 . A A . 6 NAL N 1 1
2 226 1 1 7 HIS C C 4.425 -7.608 4.793 1.00 . A A . 7 HIS C 1 1
2 227 1 1 7 HIS CA C 5.417 -6.552 4.184 1.00 . A A . 7 HIS CA 1 1
2 228 1 1 7 HIS CB C 5.695 -5.353 5.173 1.00 . A A . 7 HIS CB 1 1
2 229 1 1 7 HIS CD2 C 6.608 -2.903 4.892 1.00 . A A . 7 HIS CD2 1 1
2 230 1 1 7 HIS CE1 C 4.976 -2.041 3.900 1.00 . A A . 7 HIS CE1 1 1
2 231 1 1 7 HIS CG C 5.612 -3.879 4.720 1.00 . A A . 7 HIS CG 1 1
2 232 1 1 7 HIS H H 5.066 -5.088 2.567 1.00 . A A . 7 HIS H 1 1
2 233 1 1 7 HIS HA H 6.377 -7.097 4.086 1.00 . A A . 7 HIS HA 1 1
2 234 1 1 7 HIS HB2 H 5.034 -5.430 6.057 1.00 . A A . 7 HIS HB2 1 1
2 235 1 1 7 HIS HB3 H 6.695 -5.521 5.615 1.00 . A A . 7 HIS HB3 1 1
2 236 1 1 7 HIS HD1 H 3.665 -3.770 3.745 1.00 . A A . 7 HIS HD1 1 1
2 237 1 1 7 HIS HD2 H 7.563 -3.076 5.369 1.00 . A A . 7 HIS HD2 1 1
2 238 1 1 7 HIS HE1 H 4.384 -1.326 3.347 1.00 . A A . 7 HIS HE1 1 1
2 239 1 1 7 HIS N N 5.074 -6.086 2.799 1.00 . A A . 7 HIS N 1 1
2 240 1 1 7 HIS ND1 N 4.512 -3.312 4.096 1.00 . A A . 7 HIS ND1 1 1
2 241 1 1 7 HIS NE2 N 6.213 -1.681 4.361 1.00 . A A . 7 HIS NE2 1 1
2 242 1 1 7 HIS O O 4.822 -8.736 5.092 1.00 . A A . 7 HIS O 1 1
2 243 1 1 8 . C C 1.572 -8.473 3.476 1.00 . A A . 8 LE1 C 1 1
2 244 1 1 8 . C8 C 0.855 -6.462 6.595 1.00 . A A . 8 LE1 C8 1 1
2 245 1 1 8 . C9 C 0.717 -8.866 7.099 1.00 . A A . 8 LE1 C9 1 1
2 246 1 1 8 . CA C 2.003 -8.235 4.951 1.00 . A A . 8 LE1 CA 1 1
2 247 1 1 8 . CB C 0.806 -7.855 5.932 1.00 . A A . 8 LE1 CB 1 1
2 248 1 1 8 . H8 H 1.692 -6.374 7.313 1.00 . A A . 8 LE1 H8 1 1
2 249 1 1 8 . H8A H 1.002 -5.677 5.839 1.00 . A A . 8 LE1 H8A 1 1
2 250 1 1 8 . H8B H -0.077 -6.222 7.140 1.00 . A A . 8 LE1 H8B 1 1
2 251 1 1 8 . H9 H 1.589 -8.799 7.779 1.00 . A A . 8 LE1 H9 1 1
2 252 1 1 8 . H9A H -0.188 -8.707 7.717 1.00 . A A . 8 LE1 H9A 1 1
2 253 1 1 8 . H9B H 0.668 -9.912 6.740 1.00 . A A . 8 LE1 H9B 1 1
2 254 1 1 8 . HA H 2.412 -9.209 5.288 1.00 . A A . 8 LE1 HA 1 1
2 255 1 1 8 . HN H 2.971 -6.292 4.593 1.00 . A A . 8 LE1 HN 1 1
2 256 1 1 8 . HXT H 1.362 -9.855 2.199 1.00 . A A . 8 LE1 HXT 1 1
2 257 1 1 8 . N N 3.133 -7.249 4.912 1.00 . A A . 8 LE1 N 1 1
2 258 1 1 8 . O O 1.338 -7.576 2.669 1.00 . A A . 8 LE1 O 1 1
2 259 1 1 8 . OXT O 1.536 -9.794 3.141 1.00 . A A . 8 LE1 OXT 1 1
2 260 1 1 8 . SG S -0.853 -7.913 5.168 1.00 . A A . 8 LE1 SG 1 1
3 261 1 1 1 ACE C C 2.011 -1.915 7.160 1.00 . A A . 1 ACE C 1 1
3 262 1 1 1 ACE CH3 C 2.570 -3.314 7.317 1.00 . A A . 1 ACE CH3 1 1
3 263 1 1 1 ACE H1 H 3.241 -3.371 8.191 1.00 . A A . 1 ACE H1 1 1
3 264 1 1 1 ACE H2 H 1.735 -4.008 7.504 1.00 . A A . 1 ACE H2 1 1
3 265 1 1 1 ACE H3 H 3.120 -3.687 6.437 1.00 . A A . 1 ACE H3 1 1
3 266 1 1 1 ACE O O 1.197 -1.493 7.979 1.00 . A A . 1 ACE O 1 1
3 267 1 1 2 ARG C C 0.929 0.339 4.672 1.00 . A A . 2 ARG C 1 1
3 268 1 1 2 ARG CA C 1.982 0.183 5.826 1.00 . A A . 2 ARG CA 1 1
3 269 1 1 2 ARG CB C 3.227 1.126 5.771 1.00 . A A . 2 ARG CB 1 1
3 270 1 1 2 ARG CD C 5.126 2.334 4.428 1.00 . A A . 2 ARG CD 1 1
3 271 1 1 2 ARG CG C 3.735 1.651 4.399 1.00 . A A . 2 ARG CG 1 1
3 272 1 1 2 ARG CZ C 4.809 4.656 5.365 1.00 . A A . 2 ARG CZ 1 1
3 273 1 1 2 ARG H H 3.225 -1.666 5.626 1.00 . A A . 2 ARG H 1 1
3 274 1 1 2 ARG HA H 1.416 0.542 6.712 1.00 . A A . 2 ARG HA 1 1
3 275 1 1 2 ARG HB2 H 2.984 2.019 6.381 1.00 . A A . 2 ARG HB2 1 1
3 276 1 1 2 ARG HB3 H 4.075 0.677 6.325 1.00 . A A . 2 ARG HB3 1 1
3 277 1 1 2 ARG HD2 H 5.889 1.554 4.627 1.00 . A A . 2 ARG HD2 1 1
3 278 1 1 2 ARG HD3 H 5.397 2.704 3.419 1.00 . A A . 2 ARG HD3 1 1
3 279 1 1 2 ARG HE H 5.742 3.211 6.344 1.00 . A A . 2 ARG HE 1 1
3 280 1 1 2 ARG HG2 H 3.773 0.821 3.670 1.00 . A A . 2 ARG HG2 1 1
3 281 1 1 2 ARG HG3 H 2.982 2.348 3.981 1.00 . A A . 2 ARG HG3 1 1
3 282 1 1 2 ARG HH11 H 4.605 6.399 6.303 1.00 . A A . 2 ARG HH11 1 1
3 283 1 1 2 ARG HH12 H 5.464 5.068 7.195 1.00 . A A . 2 ARG HH12 1 1
3 284 1 1 2 ARG HH21 H 3.850 6.089 4.330 1.00 . A A . 2 ARG HH21 1 1
3 285 1 1 2 ARG HH22 H 4.081 4.444 3.558 1.00 . A A . 2 ARG HH22 1 1
3 286 1 1 2 ARG N N 2.441 -1.216 6.108 1.00 . A A . 2 ARG N 1 1
3 287 1 1 2 ARG NE N 5.278 3.411 5.453 1.00 . A A . 2 ARG NE 1 1
3 288 1 1 2 ARG NH1 N 4.979 5.450 6.382 1.00 . A A . 2 ARG NH1 1 1
3 289 1 1 2 ARG NH2 N 4.181 5.122 4.315 1.00 . A A . 2 ARG NH2 1 1
3 290 1 1 2 ARG O O 0.065 1.213 4.763 1.00 . A A . 2 ARG O 1 1
3 291 1 1 3 ALA C C -0.874 -1.672 2.224 1.00 . A A . 3 ALA C 1 1
3 292 1 1 3 ALA CA C 0.044 -0.415 2.452 1.00 . A A . 3 ALA CA 1 1
3 293 1 1 3 ALA CB C 0.925 -0.128 1.215 1.00 . A A . 3 ALA CB 1 1
3 294 1 1 3 ALA H H 1.760 -1.155 3.648 1.00 . A A . 3 ALA H 1 1
3 295 1 1 3 ALA HA H -0.653 0.439 2.562 1.00 . A A . 3 ALA HA 1 1
3 296 1 1 3 ALA HB1 H 1.638 -0.947 0.999 1.00 . A A . 3 ALA HB1 1 1
3 297 1 1 3 ALA HB2 H 0.314 0.013 0.306 1.00 . A A . 3 ALA HB2 1 1
3 298 1 1 3 ALA HB3 H 1.518 0.799 1.331 1.00 . A A . 3 ALA HB3 1 1
3 299 1 1 3 ALA N N 1.008 -0.465 3.593 1.00 . A A . 3 ALA N 1 1
3 300 1 1 3 ALA O O -1.613 -1.696 1.235 1.00 . A A . 3 ALA O 1 1
3 301 1 1 4 . C C -1.135 -4.716 1.432 1.00 . A A . 4 DCY C 1 1
3 302 1 1 4 . CA C -1.495 -4.041 2.803 1.00 . A A . 4 DCY CA 1 1
3 303 1 1 4 . CB C -1.260 -4.940 4.049 1.00 . A A . 4 DCY CB 1 1
3 304 1 1 4 . H H -0.327 -2.526 3.941 1.00 . A A . 4 DCY H 1 1
3 305 1 1 4 . HA H -2.587 -3.859 2.754 1.00 . A A . 4 DCY HA 1 1
3 306 1 1 4 . HB2 H -0.325 -4.676 4.569 1.00 . A A . 4 DCY HB2 1 1
3 307 1 1 4 . HB3 H -2.066 -4.800 4.794 1.00 . A A . 4 DCY HB3 1 1
3 308 1 1 4 . N N -0.834 -2.723 3.071 1.00 . A A . 4 DCY N 1 1
3 309 1 1 4 . O O -2.048 -5.022 0.661 1.00 . A A . 4 DCY O 1 1
3 310 1 1 4 . SG S -1.135 -6.697 3.627 1.00 . A A . 4 DCY SG 1 1
3 311 1 1 5 ARG C C 1.963 -6.246 -0.080 1.00 . A A . 5 ARG C 1 1
3 312 1 1 5 ARG CA C 0.638 -5.416 -0.202 1.00 . A A . 5 ARG CA 1 1
3 313 1 1 5 ARG CB C 0.777 -4.243 -1.230 1.00 . A A . 5 ARG CB 1 1
3 314 1 1 5 ARG CD C -0.735 -2.309 -2.067 1.00 . A A . 5 ARG CD 1 1
3 315 1 1 5 ARG CG C -0.513 -3.834 -1.990 1.00 . A A . 5 ARG CG 1 1
3 316 1 1 5 ARG CZ C -3.238 -2.024 -2.127 1.00 . A A . 5 ARG CZ 1 1
3 317 1 1 5 ARG H H 0.789 -4.761 1.917 1.00 . A A . 5 ARG H 1 1
3 318 1 1 5 ARG HA H -0.105 -6.138 -0.600 1.00 . A A . 5 ARG HA 1 1
3 319 1 1 5 ARG HB2 H 1.237 -3.371 -0.723 1.00 . A A . 5 ARG HB2 1 1
3 320 1 1 5 ARG HB3 H 1.523 -4.512 -2.003 1.00 . A A . 5 ARG HB3 1 1
3 321 1 1 5 ARG HD2 H -0.652 -1.843 -1.066 1.00 . A A . 5 ARG HD2 1 1
3 322 1 1 5 ARG HD3 H 0.090 -1.850 -2.648 1.00 . A A . 5 ARG HD3 1 1
3 323 1 1 5 ARG HE H -2.074 -1.691 -3.698 1.00 . A A . 5 ARG HE 1 1
3 324 1 1 5 ARG HG2 H -0.490 -4.262 -3.012 1.00 . A A . 5 ARG HG2 1 1
3 325 1 1 5 ARG HG3 H -1.397 -4.311 -1.532 1.00 . A A . 5 ARG HG3 1 1
3 326 1 1 5 ARG HH11 H -5.192 -1.782 -2.369 1.00 . A A . 5 ARG HH11 1 1
3 327 1 1 5 ARG HH12 H -4.129 -1.464 -3.813 1.00 . A A . 5 ARG HH12 1 1
3 328 1 1 5 ARG HH21 H -4.381 -2.385 -0.510 1.00 . A A . 5 ARG HH21 1 1
3 329 1 1 5 ARG HH22 H -2.569 -2.496 -0.323 1.00 . A A . 5 ARG HH22 1 1
3 330 1 1 5 ARG N N 0.162 -4.901 1.119 1.00 . A A . 5 ARG N 1 1
3 331 1 1 5 ARG NE N -2.037 -1.969 -2.714 1.00 . A A . 5 ARG NE 1 1
3 332 1 1 5 ARG NH1 N -4.286 -1.733 -2.840 1.00 . A A . 5 ARG NH1 1 1
3 333 1 1 5 ARG NH2 N -3.428 -2.357 -0.874 1.00 . A A . 5 ARG NH2 1 1
3 334 1 1 5 ARG O O 2.001 -7.391 -0.532 1.00 . A A . 5 ARG O 1 1
3 335 1 1 6 NAL C1 C 5.480 -2.710 0.278 1.00 . A A . 6 NAL C1 1 1
3 336 1 1 6 NAL C2 C 5.104 -3.773 -0.549 1.00 . A A . 6 NAL C2 1 1
3 337 1 1 6 NAL C3 C 4.305 -3.532 -1.669 1.00 . A A . 6 NAL C3 1 1
3 338 1 1 6 NAL C4 C 3.824 -2.258 -1.944 1.00 . A A . 6 NAL C4 1 1
3 339 1 1 6 NAL C4A C 4.165 -1.190 -1.118 1.00 . A A . 6 NAL C4A 1 1
3 340 1 1 6 NAL C5 C 3.688 0.100 -1.370 1.00 . A A . 6 NAL C5 1 1
3 341 1 1 6 NAL C6 C 4.067 1.157 -0.550 1.00 . A A . 6 NAL C6 1 1
3 342 1 1 6 NAL C7 C 4.928 0.946 0.523 1.00 . A A . 6 NAL C7 1 1
3 343 1 1 6 NAL C8 C 5.413 -0.329 0.800 1.00 . A A . 6 NAL C8 1 1
3 344 1 1 6 NAL C8A C 5.033 -1.412 0.006 1.00 . A A . 6 NAL C8A 1 1
3 345 1 1 6 NAL C9 C 5.499 -5.234 -0.210 1.00 . A A . 6 NAL C9 1 1
3 346 1 1 6 NAL H1 H 6.115 -2.901 1.133 1.00 . A A . 6 NAL H1 1 1
3 347 1 1 6 NAL H3 H 4.015 -4.353 -2.312 1.00 . A A . 6 NAL H3 1 1
3 348 1 1 6 NAL H4 H 3.184 -2.116 -2.804 1.00 . A A . 6 NAL H4 1 1
3 349 1 1 6 NAL H5 H 3.030 0.296 -2.205 1.00 . A A . 6 NAL H5 1 1
3 350 1 1 6 NAL H6 H 3.702 2.153 -0.760 1.00 . A A . 6 NAL H6 1 1
3 351 1 1 6 NAL H7 H 5.236 1.784 1.132 1.00 . A A . 6 NAL H7 1 1
3 352 1 1 6 NAL H8 H 6.098 -0.456 1.627 1.00 . A A . 6 NAL H8 1 1
3 353 1 1 6 NAL H91 H 6.402 -5.217 0.431 1.00 . A A . 6 NAL H91 1 1
3 354 1 1 6 NAL H92 H 5.900 -5.686 -1.138 1.00 . A A . 6 NAL H92 1 1
3 355 1 1 6 NAL N N 3.050 -5.664 0.469 1.00 . A A . 6 NAL N 1 1
3 356 1 1 7 HIS C C 4.410 -7.623 4.770 1.00 . A A . 7 HIS C 1 1
3 357 1 1 7 HIS CA C 5.415 -6.569 4.179 1.00 . A A . 7 HIS CA 1 1
3 358 1 1 7 HIS CB C 5.669 -5.369 5.173 1.00 . A A . 7 HIS CB 1 1
3 359 1 1 7 HIS CD2 C 6.570 -2.915 4.887 1.00 . A A . 7 HIS CD2 1 1
3 360 1 1 7 HIS CE1 C 4.947 -2.077 3.860 1.00 . A A . 7 HIS CE1 1 1
3 361 1 1 7 HIS CG C 5.580 -3.897 4.719 1.00 . A A . 7 HIS CG 1 1
3 362 1 1 7 HIS H H 5.088 -5.103 2.558 1.00 . A A . 7 HIS H 1 1
3 363 1 1 7 HIS HA H 6.377 -7.116 4.101 1.00 . A A . 7 HIS HA 1 1
3 364 1 1 7 HIS HB2 H 4.995 -5.451 6.047 1.00 . A A . 7 HIS HB2 1 1
3 365 1 1 7 HIS HB3 H 6.663 -5.529 5.631 1.00 . A A . 7 HIS HB3 1 1
3 366 1 1 7 HIS HD1 H 3.640 -3.807 3.726 1.00 . A A . 7 HIS HD1 1 1
3 367 1 1 7 HIS HD2 H 7.523 -3.079 5.371 1.00 . A A . 7 HIS HD2 1 1
3 368 1 1 7 HIS HE1 H 4.361 -1.380 3.279 1.00 . A A . 7 HIS HE1 1 1
3 369 1 1 7 HIS N N 5.102 -6.102 2.787 1.00 . A A . 7 HIS N 1 1
3 370 1 1 7 HIS ND1 N 4.486 -3.343 4.075 1.00 . A A . 7 HIS ND1 1 1
3 371 1 1 7 HIS NE2 N 6.177 -1.703 4.330 1.00 . A A . 7 HIS NE2 1 1
3 372 1 1 7 HIS O O 4.801 -8.744 5.099 1.00 . A A . 7 HIS O 1 1
3 373 1 1 8 . C C 1.518 -8.489 3.465 1.00 . A A . 8 LE1 C 1 1
3 374 1 1 8 . C8 C 0.919 -6.448 6.613 1.00 . A A . 8 LE1 C8 1 1
3 375 1 1 8 . C9 C 0.754 -8.856 7.104 1.00 . A A . 8 LE1 C9 1 1
3 376 1 1 8 . CA C 1.982 -8.239 4.926 1.00 . A A . 8 LE1 CA 1 1
3 377 1 1 8 . CB C 0.821 -7.838 5.941 1.00 . A A . 8 LE1 CB 1 1
3 378 1 1 8 . H8 H 0.009 -6.194 7.187 1.00 . A A . 8 LE1 H8 1 1
3 379 1 1 8 . H8A H 1.778 -6.385 7.308 1.00 . A A . 8 LE1 H8A 1 1
3 380 1 1 8 . H8B H 1.064 -5.653 5.865 1.00 . A A . 8 LE1 H8B 1 1
3 381 1 1 8 . H9 H -0.047 -8.615 7.829 1.00 . A A . 8 LE1 H9 1 1
3 382 1 1 8 . H9A H 0.546 -9.878 6.740 1.00 . A A . 8 LE1 H9A 1 1
3 383 1 1 8 . H9B H 1.702 -8.900 7.675 1.00 . A A . 8 LE1 H9B 1 1
3 384 1 1 8 . HA H 2.394 -9.214 5.260 1.00 . A A . 8 LE1 HA 1 1
3 385 1 1 8 . HN H 2.959 -6.314 4.498 1.00 . A A . 8 LE1 HN 1 1
3 386 1 1 8 . HXT H 1.305 -9.880 2.197 1.00 . A A . 8 LE1 HXT 1 1
3 387 1 1 8 . N N 3.117 -7.261 4.848 1.00 . A A . 8 LE1 N 1 1
3 388 1 1 8 . O O 1.256 -7.599 2.658 1.00 . A A . 8 LE1 O 1 1
3 389 1 1 8 . OXT O 1.493 -9.811 3.134 1.00 . A A . 8 LE1 OXT 1 1
3 390 1 1 8 . SG S -0.863 -7.876 5.236 1.00 . A A . 8 LE1 SG 1 1
4 391 1 1 1 ACE C C 1.748 -2.024 6.881 1.00 . A A . 1 ACE C 1 1
4 392 1 1 1 ACE CH3 C 2.322 -3.417 7.047 1.00 . A A . 1 ACE CH3 1 1
4 393 1 1 1 ACE H1 H 1.917 -4.095 6.276 1.00 . A A . 1 ACE H1 1 1
4 394 1 1 1 ACE H2 H 3.425 -3.437 6.988 1.00 . A A . 1 ACE H2 1 1
4 395 1 1 1 ACE H3 H 2.044 -3.832 8.033 1.00 . A A . 1 ACE H3 1 1
4 396 1 1 1 ACE O O 0.710 -1.708 7.457 1.00 . A A . 1 ACE O 1 1
4 397 1 1 2 ARG C C 0.919 0.337 4.636 1.00 . A A . 2 ARG C 1 1
4 398 1 1 2 ARG CA C 1.985 0.193 5.779 1.00 . A A . 2 ARG CA 1 1
4 399 1 1 2 ARG CB C 3.239 1.127 5.685 1.00 . A A . 2 ARG CB 1 1
4 400 1 1 2 ARG CD C 5.006 2.479 4.342 1.00 . A A . 2 ARG CD 1 1
4 401 1 1 2 ARG CG C 3.690 1.663 4.298 1.00 . A A . 2 ARG CG 1 1
4 402 1 1 2 ARG CZ C 4.345 4.897 4.137 1.00 . A A . 2 ARG CZ 1 1
4 403 1 1 2 ARG H H 3.303 -1.613 5.729 1.00 . A A . 2 ARG H 1 1
4 404 1 1 2 ARG HA H 1.444 0.552 6.680 1.00 . A A . 2 ARG HA 1 1
4 405 1 1 2 ARG HB2 H 3.030 2.007 6.322 1.00 . A A . 2 ARG HB2 1 1
4 406 1 1 2 ARG HB3 H 4.107 0.656 6.192 1.00 . A A . 2 ARG HB3 1 1
4 407 1 1 2 ARG HD2 H 5.382 2.617 5.377 1.00 . A A . 2 ARG HD2 1 1
4 408 1 1 2 ARG HD3 H 5.811 1.878 3.870 1.00 . A A . 2 ARG HD3 1 1
4 409 1 1 2 ARG HE H 5.316 3.925 2.707 1.00 . A A . 2 ARG HE 1 1
4 410 1 1 2 ARG HG2 H 3.810 0.831 3.583 1.00 . A A . 2 ARG HG2 1 1
4 411 1 1 2 ARG HG3 H 2.863 2.260 3.861 1.00 . A A . 2 ARG HG3 1 1
4 412 1 1 2 ARG HH11 H 3.936 6.816 3.832 1.00 . A A . 2 ARG HH11 1 1
4 413 1 1 2 ARG HH12 H 4.828 5.937 2.512 1.00 . A A . 2 ARG HH12 1 1
4 414 1 1 2 ARG HH21 H 3.349 5.822 5.628 1.00 . A A . 2 ARG HH21 1 1
4 415 1 1 2 ARG HH22 H 3.768 4.045 5.797 1.00 . A A . 2 ARG HH22 1 1
4 416 1 1 2 ARG N N 2.422 -1.209 6.065 1.00 . A A . 2 ARG N 1 1
4 417 1 1 2 ARG NE N 4.902 3.790 3.635 1.00 . A A . 2 ARG NE 1 1
4 418 1 1 2 ARG NH1 N 4.370 5.986 3.424 1.00 . A A . 2 ARG NH1 1 1
4 419 1 1 2 ARG NH2 N 3.764 4.943 5.310 1.00 . A A . 2 ARG NH2 1 1
4 420 1 1 2 ARG O O -0.034 1.104 4.783 1.00 . A A . 2 ARG O 1 1
4 421 1 1 3 ALA C C -0.808 -1.589 2.194 1.00 . A A . 3 ALA C 1 1
4 422 1 1 3 ALA CA C 0.136 -0.347 2.361 1.00 . A A . 3 ALA CA 1 1
4 423 1 1 3 ALA CB C 1.017 -0.144 1.109 1.00 . A A . 3 ALA CB 1 1
4 424 1 1 3 ALA H H 1.904 -0.993 3.528 1.00 . A A . 3 ALA H 1 1
4 425 1 1 3 ALA HA H -0.534 0.534 2.434 1.00 . A A . 3 ALA HA 1 1
4 426 1 1 3 ALA HB1 H 1.666 -1.015 0.899 1.00 . A A . 3 ALA HB1 1 1
4 427 1 1 3 ALA HB2 H 0.401 0.023 0.207 1.00 . A A . 3 ALA HB2 1 1
4 428 1 1 3 ALA HB3 H 1.674 0.742 1.196 1.00 . A A . 3 ALA HB3 1 1
4 429 1 1 3 ALA N N 1.097 -0.367 3.501 1.00 . A A . 3 ALA N 1 1
4 430 1 1 3 ALA O O -1.604 -1.603 1.248 1.00 . A A . 3 ALA O 1 1
4 431 1 1 4 . C C -1.187 -4.706 1.529 1.00 . A A . 4 DCY C 1 1
4 432 1 1 4 . CA C -1.506 -3.901 2.845 1.00 . A A . 4 DCY CA 1 1
4 433 1 1 4 . CB C -1.390 -4.747 4.138 1.00 . A A . 4 DCY CB 1 1
4 434 1 1 4 . H H -0.175 -2.455 3.881 1.00 . A A . 4 DCY H 1 1
4 435 1 1 4 . HA H -2.573 -3.610 2.767 1.00 . A A . 4 DCY HA 1 1
4 436 1 1 4 . HB2 H -1.392 -4.138 5.062 1.00 . A A . 4 DCY HB2 1 1
4 437 1 1 4 . HB3 H -2.274 -5.406 4.223 1.00 . A A . 4 DCY HB3 1 1
4 438 1 1 4 . N N -0.727 -2.641 3.037 1.00 . A A . 4 DCY N 1 1
4 439 1 1 4 . O O -2.114 -5.124 0.833 1.00 . A A . 4 DCY O 1 1
4 440 1 1 4 . SG S 0.064 -5.814 4.094 1.00 . A A . 4 DCY SG 1 1
4 441 1 1 5 ARG C C 1.899 -6.228 -0.021 1.00 . A A . 5 ARG C 1 1
4 442 1 1 5 ARG CA C 0.568 -5.406 -0.139 1.00 . A A . 5 ARG CA 1 1
4 443 1 1 5 ARG CB C 0.707 -4.239 -1.171 1.00 . A A . 5 ARG CB 1 1
4 444 1 1 5 ARG CD C -0.724 -2.268 -2.048 1.00 . A A . 5 ARG CD 1 1
4 445 1 1 5 ARG CG C -0.599 -3.796 -1.880 1.00 . A A . 5 ARG CG 1 1
4 446 1 1 5 ARG CZ C -3.208 -1.859 -2.157 1.00 . A A . 5 ARG CZ 1 1
4 447 1 1 5 ARG H H 0.749 -4.487 1.879 1.00 . A A . 5 ARG H 1 1
4 448 1 1 5 ARG HA H -0.181 -6.128 -0.523 1.00 . A A . 5 ARG HA 1 1
4 449 1 1 5 ARG HB2 H 1.205 -3.379 -0.681 1.00 . A A . 5 ARG HB2 1 1
4 450 1 1 5 ARG HB3 H 1.419 -4.527 -1.969 1.00 . A A . 5 ARG HB3 1 1
4 451 1 1 5 ARG HD2 H -0.619 -1.753 -1.073 1.00 . A A . 5 ARG HD2 1 1
4 452 1 1 5 ARG HD3 H 0.131 -1.894 -2.647 1.00 . A A . 5 ARG HD3 1 1
4 453 1 1 5 ARG HE H -2.007 -1.654 -3.723 1.00 . A A . 5 ARG HE 1 1
4 454 1 1 5 ARG HG2 H -0.668 -4.296 -2.867 1.00 . A A . 5 ARG HG2 1 1
4 455 1 1 5 ARG HG3 H -1.481 -4.174 -1.331 1.00 . A A . 5 ARG HG3 1 1
4 456 1 1 5 ARG HH11 H -5.146 -1.551 -2.451 1.00 . A A . 5 ARG HH11 1 1
4 457 1 1 5 ARG HH12 H -4.045 -1.353 -3.886 1.00 . A A . 5 ARG HH12 1 1
4 458 1 1 5 ARG HH21 H -4.391 -2.086 -0.546 1.00 . A A . 5 ARG HH21 1 1
4 459 1 1 5 ARG HH22 H -2.589 -2.250 -0.313 1.00 . A A . 5 ARG HH22 1 1
4 460 1 1 5 ARG N N 0.106 -4.861 1.176 1.00 . A A . 5 ARG N 1 1
4 461 1 1 5 ARG NE N -1.998 -1.885 -2.724 1.00 . A A . 5 ARG NE 1 1
4 462 1 1 5 ARG NH1 N -4.231 -1.563 -2.904 1.00 . A A . 5 ARG NH1 1 1
4 463 1 1 5 ARG NH2 N -3.431 -2.114 -0.890 1.00 . A A . 5 ARG NH2 1 1
4 464 1 1 5 ARG O O 1.944 -7.370 -0.481 1.00 . A A . 5 ARG O 1 1
4 465 1 1 6 NAL C1 C 5.459 -2.698 0.287 1.00 . A A . 6 NAL C1 1 1
4 466 1 1 6 NAL C2 C 5.052 -3.759 -0.525 1.00 . A A . 6 NAL C2 1 1
4 467 1 1 6 NAL C3 C 4.247 -3.510 -1.641 1.00 . A A . 6 NAL C3 1 1
4 468 1 1 6 NAL C4 C 3.801 -2.226 -1.927 1.00 . A A . 6 NAL C4 1 1
4 469 1 1 6 NAL C4A C 4.178 -1.157 -1.118 1.00 . A A . 6 NAL C4A 1 1
4 470 1 1 6 NAL C5 C 3.738 0.141 -1.383 1.00 . A A . 6 NAL C5 1 1
4 471 1 1 6 NAL C6 C 4.146 1.197 -0.575 1.00 . A A . 6 NAL C6 1 1
4 472 1 1 6 NAL C7 C 5.002 0.974 0.499 1.00 . A A . 6 NAL C7 1 1
4 473 1 1 6 NAL C8 C 5.457 -0.310 0.785 1.00 . A A . 6 NAL C8 1 1
4 474 1 1 6 NAL C8A C 5.045 -1.392 0.005 1.00 . A A . 6 NAL C8A 1 1
4 475 1 1 6 NAL C9 C 5.434 -5.222 -0.190 1.00 . A A . 6 NAL C9 1 1
4 476 1 1 6 NAL H1 H 6.097 -2.896 1.139 1.00 . A A . 6 NAL H1 1 1
4 477 1 1 6 NAL H3 H 3.936 -4.329 -2.274 1.00 . A A . 6 NAL H3 1 1
4 478 1 1 6 NAL H4 H 3.161 -2.077 -2.786 1.00 . A A . 6 NAL H4 1 1
4 479 1 1 6 NAL H5 H 3.082 0.346 -2.219 1.00 . A A . 6 NAL H5 1 1
4 480 1 1 6 NAL H6 H 3.805 2.199 -0.792 1.00 . A A . 6 NAL H6 1 1
4 481 1 1 6 NAL H7 H 5.327 1.806 1.106 1.00 . A A . 6 NAL H7 1 1
4 482 1 1 6 NAL H8 H 6.140 -0.448 1.613 1.00 . A A . 6 NAL H8 1 1
4 483 1 1 6 NAL H91 H 6.356 -5.216 0.425 1.00 . A A . 6 NAL H91 1 1
4 484 1 1 6 NAL H92 H 5.803 -5.685 -1.126 1.00 . A A . 6 NAL H92 1 1
4 485 1 1 6 NAL N N 2.988 -5.639 0.517 1.00 . A A . 6 NAL N 1 1
4 486 1 1 7 HIS C C 4.405 -7.585 4.838 1.00 . A A . 7 HIS C 1 1
4 487 1 1 7 HIS CA C 5.308 -6.443 4.250 1.00 . A A . 7 HIS CA 1 1
4 488 1 1 7 HIS CB C 5.400 -5.242 5.265 1.00 . A A . 7 HIS CB 1 1
4 489 1 1 7 HIS CD2 C 6.426 -2.832 4.964 1.00 . A A . 7 HIS CD2 1 1
4 490 1 1 7 HIS CE1 C 4.882 -1.980 3.834 1.00 . A A . 7 HIS CE1 1 1
4 491 1 1 7 HIS CG C 5.411 -3.785 4.778 1.00 . A A . 7 HIS CG 1 1
4 492 1 1 7 HIS H H 4.931 -5.013 2.610 1.00 . A A . 7 HIS H 1 1
4 493 1 1 7 HIS HA H 6.324 -6.881 4.193 1.00 . A A . 7 HIS HA 1 1
4 494 1 1 7 HIS HB2 H 4.571 -5.300 5.995 1.00 . A A . 7 HIS HB2 1 1
4 495 1 1 7 HIS HB3 H 6.290 -5.409 5.902 1.00 . A A . 7 HIS HB3 1 1
4 496 1 1 7 HIS HD1 H 3.505 -3.660 3.735 1.00 . A A . 7 HIS HD1 1 1
4 497 1 1 7 HIS HD2 H 7.348 -3.010 5.501 1.00 . A A . 7 HIS HD2 1 1
4 498 1 1 7 HIS HE1 H 4.344 -1.290 3.202 1.00 . A A . 7 HIS HE1 1 1
4 499 1 1 7 HIS N N 4.979 -6.006 2.852 1.00 . A A . 7 HIS N 1 1
4 500 1 1 7 HIS ND1 N 4.366 -3.218 4.071 1.00 . A A . 7 HIS ND1 1 1
4 501 1 1 7 HIS NE2 N 6.099 -1.628 4.350 1.00 . A A . 7 HIS NE2 1 1
4 502 1 1 7 HIS O O 4.931 -8.569 5.363 1.00 . A A . 7 HIS O 1 1
4 503 1 1 8 . C C 1.769 -9.039 3.374 1.00 . A A . 8 LE1 C 1 1
4 504 1 1 8 . C8 C 1.051 -7.471 6.971 1.00 . A A . 8 LE1 C8 1 1
4 505 1 1 8 . C9 C 0.290 -9.720 6.238 1.00 . A A . 8 LE1 C9 1 1
4 506 1 1 8 . CA C 2.136 -8.622 4.834 1.00 . A A . 8 LE1 CA 1 1
4 507 1 1 8 . CB C 0.858 -8.376 5.730 1.00 . A A . 8 LE1 CB 1 1
4 508 1 1 8 . H8 H 1.852 -7.846 7.635 1.00 . A A . 8 LE1 H8 1 1
4 509 1 1 8 . H8A H 1.326 -6.442 6.681 1.00 . A A . 8 LE1 H8A 1 1
4 510 1 1 8 . H8B H 0.128 -7.388 7.577 1.00 . A A . 8 LE1 H8B 1 1
4 511 1 1 8 . H9 H 0.123 -10.440 5.415 1.00 . A A . 8 LE1 H9 1 1
4 512 1 1 8 . H9A H 0.969 -10.212 6.961 1.00 . A A . 8 LE1 H9A 1 1
4 513 1 1 8 . H9B H -0.685 -9.592 6.745 1.00 . A A . 8 LE1 H9B 1 1
4 514 1 1 8 . HA H 2.682 -9.476 5.284 1.00 . A A . 8 LE1 HA 1 1
4 515 1 1 8 . HN H 2.807 -6.635 4.169 1.00 . A A . 8 LE1 HN 1 1
4 516 1 1 8 . HXT H 1.780 -10.518 2.202 1.00 . A A . 8 LE1 HXT 1 1
4 517 1 1 8 . N N 3.067 -7.459 4.721 1.00 . A A . 8 LE1 N 1 1
4 518 1 1 8 . O O 1.316 -8.270 2.526 1.00 . A A . 8 LE1 O 1 1
4 519 1 1 8 . OXT O 1.999 -10.358 3.122 1.00 . A A . 8 LE1 OXT 1 1
4 520 1 1 8 . SG S -0.452 -7.641 4.716 1.00 . A A . 8 LE1 SG 1 1
5 521 1 1 1 ACE C C 1.604 -2.178 6.404 1.00 . A A . 1 ACE C 1 1
5 522 1 1 1 ACE CH3 C 2.241 -3.514 6.718 1.00 . A A . 1 ACE CH3 1 1
5 523 1 1 1 ACE H1 H 1.628 -4.061 7.456 1.00 . A A . 1 ACE H1 1 1
5 524 1 1 1 ACE H2 H 2.292 -4.133 5.806 1.00 . A A . 1 ACE H2 1 1
5 525 1 1 1 ACE H3 H 3.260 -3.429 7.135 1.00 . A A . 1 ACE H3 1 1
5 526 1 1 1 ACE O O 0.380 -2.061 6.426 1.00 . A A . 1 ACE O 1 1
5 527 1 1 2 ARG C C 0.947 0.423 4.625 1.00 . A A . 2 ARG C 1 1
5 528 1 1 2 ARG CA C 1.976 0.209 5.797 1.00 . A A . 2 ARG CA 1 1
5 529 1 1 2 ARG CB C 3.218 1.163 5.776 1.00 . A A . 2 ARG CB 1 1
5 530 1 1 2 ARG CD C 5.140 2.356 4.473 1.00 . A A . 2 ARG CD 1 1
5 531 1 1 2 ARG CG C 3.773 1.645 4.403 1.00 . A A . 2 ARG CG 1 1
5 532 1 1 2 ARG CZ C 7.500 1.597 4.899 1.00 . A A . 2 ARG CZ 1 1
5 533 1 1 2 ARG H H 3.426 -1.462 6.111 1.00 . A A . 2 ARG H 1 1
5 534 1 1 2 ARG HA H 1.403 0.503 6.701 1.00 . A A . 2 ARG HA 1 1
5 535 1 1 2 ARG HB2 H 2.949 2.070 6.351 1.00 . A A . 2 ARG HB2 1 1
5 536 1 1 2 ARG HB3 H 4.044 0.732 6.377 1.00 . A A . 2 ARG HB3 1 1
5 537 1 1 2 ARG HD2 H 5.286 2.961 3.553 1.00 . A A . 2 ARG HD2 1 1
5 538 1 1 2 ARG HD3 H 5.146 3.078 5.316 1.00 . A A . 2 ARG HD3 1 1
5 539 1 1 2 ARG HE H 6.049 0.349 4.427 1.00 . A A . 2 ARG HE 1 1
5 540 1 1 2 ARG HG2 H 3.805 0.817 3.670 1.00 . A A . 2 ARG HG2 1 1
5 541 1 1 2 ARG HG3 H 3.037 2.351 3.969 1.00 . A A . 2 ARG HG3 1 1
5 542 1 1 2 ARG HH11 H 9.292 0.768 5.190 1.00 . A A . 2 ARG HH11 1 1
5 543 1 1 2 ARG HH12 H 7.906 -0.329 4.720 1.00 . A A . 2 ARG HH12 1 1
5 544 1 1 2 ARG HH21 H 8.957 2.881 5.405 1.00 . A A . 2 ARG HH21 1 1
5 545 1 1 2 ARG HH22 H 7.275 3.537 5.102 1.00 . A A . 2 ARG HH22 1 1
5 546 1 1 2 ARG N N 2.439 -1.193 6.062 1.00 . A A . 2 ARG N 1 1
5 547 1 1 2 ARG NE N 6.232 1.349 4.586 1.00 . A A . 2 ARG NE 1 1
5 548 1 1 2 ARG NH1 N 8.317 0.585 4.947 1.00 . A A . 2 ARG NH1 1 1
5 549 1 1 2 ARG NH2 N 7.969 2.790 5.161 1.00 . A A . 2 ARG NH2 1 1
5 550 1 1 2 ARG O O 0.112 1.325 4.703 1.00 . A A . 2 ARG O 1 1
5 551 1 1 3 ALA C C -0.813 -1.669 2.220 1.00 . A A . 3 ALA C 1 1
5 552 1 1 3 ALA CA C 0.058 -0.377 2.428 1.00 . A A . 3 ALA CA 1 1
5 553 1 1 3 ALA CB C 0.929 -0.060 1.191 1.00 . A A . 3 ALA CB 1 1
5 554 1 1 3 ALA H H 1.728 -1.127 3.674 1.00 . A A . 3 ALA H 1 1
5 555 1 1 3 ALA HA H -0.669 0.451 2.541 1.00 . A A . 3 ALA HA 1 1
5 556 1 1 3 ALA HB1 H 1.731 -0.806 1.027 1.00 . A A . 3 ALA HB1 1 1
5 557 1 1 3 ALA HB2 H 0.329 -0.027 0.264 1.00 . A A . 3 ALA HB2 1 1
5 558 1 1 3 ALA HB3 H 1.418 0.930 1.275 1.00 . A A . 3 ALA HB3 1 1
5 559 1 1 3 ALA N N 1.029 -0.390 3.556 1.00 . A A . 3 ALA N 1 1
5 560 1 1 3 ALA O O -1.525 -1.736 1.212 1.00 . A A . 3 ALA O 1 1
5 561 1 1 4 . C C -1.120 -4.703 1.471 1.00 . A A . 4 DCY C 1 1
5 562 1 1 4 . CA C -1.439 -4.027 2.854 1.00 . A A . 4 DCY CA 1 1
5 563 1 1 4 . CB C -1.193 -4.955 4.082 1.00 . A A . 4 DCY CB 1 1
5 564 1 1 4 . H H -0.340 -2.463 3.998 1.00 . A A . 4 DCY H 1 1
5 565 1 1 4 . HA H -2.531 -3.837 2.826 1.00 . A A . 4 DCY HA 1 1
5 566 1 1 4 . HB2 H -0.303 -4.652 4.663 1.00 . A A . 4 DCY HB2 1 1
5 567 1 1 4 . HB3 H -2.043 -4.899 4.788 1.00 . A A . 4 DCY HB3 1 1
5 568 1 1 4 . N N -0.777 -2.701 3.099 1.00 . A A . 4 DCY N 1 1
5 569 1 1 4 . O O -2.050 -5.007 0.721 1.00 . A A . 4 DCY O 1 1
5 570 1 1 4 . SG S -0.952 -6.683 3.579 1.00 . A A . 4 DCY SG 1 1
5 571 1 1 5 ARG C C 1.952 -6.239 -0.082 1.00 . A A . 5 ARG C 1 1
5 572 1 1 5 ARG CA C 0.626 -5.408 -0.189 1.00 . A A . 5 ARG CA 1 1
5 573 1 1 5 ARG CB C 0.758 -4.223 -1.202 1.00 . A A . 5 ARG CB 1 1
5 574 1 1 5 ARG CD C -0.718 -2.310 -2.139 1.00 . A A . 5 ARG CD 1 1
5 575 1 1 5 ARG CG C -0.536 -3.832 -1.961 1.00 . A A . 5 ARG CG 1 1
5 576 1 1 5 ARG CZ C -3.212 -1.967 -2.188 1.00 . A A . 5 ARG CZ 1 1
5 577 1 1 5 ARG H H 0.809 -4.730 1.922 1.00 . A A . 5 ARG H 1 1
5 578 1 1 5 ARG HA H -0.123 -6.126 -0.582 1.00 . A A . 5 ARG HA 1 1
5 579 1 1 5 ARG HB2 H 1.196 -3.347 -0.683 1.00 . A A . 5 ARG HB2 1 1
5 580 1 1 5 ARG HB3 H 1.513 -4.470 -1.974 1.00 . A A . 5 ARG HB3 1 1
5 581 1 1 5 ARG HD2 H -0.616 -1.782 -1.170 1.00 . A A . 5 ARG HD2 1 1
5 582 1 1 5 ARG HD3 H 0.111 -1.911 -2.756 1.00 . A A . 5 ARG HD3 1 1
5 583 1 1 5 ARG HE H -2.065 -1.815 -3.801 1.00 . A A . 5 ARG HE 1 1
5 584 1 1 5 ARG HG2 H -0.550 -4.335 -2.949 1.00 . A A . 5 ARG HG2 1 1
5 585 1 1 5 ARG HG3 H -1.423 -4.244 -1.449 1.00 . A A . 5 ARG HG3 1 1
5 586 1 1 5 ARG HH11 H -5.167 -1.725 -2.436 1.00 . A A . 5 ARG HH11 1 1
5 587 1 1 5 ARG HH12 H -4.116 -1.574 -3.915 1.00 . A A . 5 ARG HH12 1 1
5 588 1 1 5 ARG HH21 H -4.341 -2.147 -0.534 1.00 . A A . 5 ARG HH21 1 1
5 589 1 1 5 ARG HH22 H -2.532 -2.285 -0.347 1.00 . A A . 5 ARG HH22 1 1
5 590 1 1 5 ARG N N 0.170 -4.899 1.141 1.00 . A A . 5 ARG N 1 1
5 591 1 1 5 ARG NE N -2.020 -1.992 -2.794 1.00 . A A . 5 ARG NE 1 1
5 592 1 1 5 ARG NH1 N -4.266 -1.733 -2.917 1.00 . A A . 5 ARG NH1 1 1
5 593 1 1 5 ARG NH2 N -3.391 -2.168 -0.905 1.00 . A A . 5 ARG NH2 1 1
5 594 1 1 5 ARG O O 1.989 -7.381 -0.543 1.00 . A A . 5 ARG O 1 1
5 595 1 1 6 NAL C1 C 5.477 -2.710 0.219 1.00 . A A . 6 NAL C1 1 1
5 596 1 1 6 NAL C2 C 5.095 -3.785 -0.587 1.00 . A A . 6 NAL C2 1 1
5 597 1 1 6 NAL C3 C 4.290 -3.560 -1.707 1.00 . A A . 6 NAL C3 1 1
5 598 1 1 6 NAL C4 C 3.810 -2.287 -1.999 1.00 . A A . 6 NAL C4 1 1
5 599 1 1 6 NAL C4A C 4.155 -1.208 -1.190 1.00 . A A . 6 NAL C4A 1 1
5 600 1 1 6 NAL C5 C 3.675 0.077 -1.454 1.00 . A A . 6 NAL C5 1 1
5 601 1 1 6 NAL C6 C 4.052 1.144 -0.646 1.00 . A A . 6 NAL C6 1 1
5 602 1 1 6 NAL C7 C 4.918 0.948 0.426 1.00 . A A . 6 NAL C7 1 1
5 603 1 1 6 NAL C8 C 5.412 -0.321 0.711 1.00 . A A . 6 NAL C8 1 1
5 604 1 1 6 NAL C8A C 5.030 -1.416 -0.067 1.00 . A A . 6 NAL C8A 1 1
5 605 1 1 6 NAL C9 C 5.487 -5.242 -0.224 1.00 . A A . 6 NAL C9 1 1
5 606 1 1 6 NAL H1 H 6.116 -2.889 1.074 1.00 . A A . 6 NAL H1 1 1
5 607 1 1 6 NAL H3 H 3.995 -4.389 -2.335 1.00 . A A . 6 NAL H3 1 1
5 608 1 1 6 NAL H4 H 3.165 -2.159 -2.857 1.00 . A A . 6 NAL H4 1 1
5 609 1 1 6 NAL H5 H 3.011 0.262 -2.287 1.00 . A A . 6 NAL H5 1 1
5 610 1 1 6 NAL H6 H 3.680 2.136 -0.861 1.00 . A A . 6 NAL H6 1 1
5 611 1 1 6 NAL H7 H 5.219 1.791 1.030 1.00 . A A . 6 NAL H7 1 1
5 612 1 1 6 NAL H8 H 6.101 -0.437 1.535 1.00 . A A . 6 NAL H8 1 1
5 613 1 1 6 NAL H91 H 6.390 -5.216 0.417 1.00 . A A . 6 NAL H91 1 1
5 614 1 1 6 NAL H92 H 5.885 -5.709 -1.145 1.00 . A A . 6 NAL H92 1 1
5 615 1 1 6 NAL N N 3.039 -5.658 0.465 1.00 . A A . 6 NAL N 1 1
5 616 1 1 7 HIS C C 4.387 -7.605 4.787 1.00 . A A . 7 HIS C 1 1
5 617 1 1 7 HIS CA C 5.346 -6.508 4.202 1.00 . A A . 7 HIS CA 1 1
5 618 1 1 7 HIS CB C 5.510 -5.301 5.204 1.00 . A A . 7 HIS CB 1 1
5 619 1 1 7 HIS CD2 C 6.506 -2.907 4.782 1.00 . A A . 7 HIS CD2 1 1
5 620 1 1 7 HIS CE1 C 4.885 -2.067 3.745 1.00 . A A . 7 HIS CE1 1 1
5 621 1 1 7 HIS CG C 5.470 -3.848 4.705 1.00 . A A . 7 HIS CG 1 1
5 622 1 1 7 HIS H H 4.956 -5.069 2.573 1.00 . A A . 7 HIS H 1 1
5 623 1 1 7 HIS HA H 6.339 -6.997 4.139 1.00 . A A . 7 HIS HA 1 1
5 624 1 1 7 HIS HB2 H 4.748 -5.360 6.003 1.00 . A A . 7 HIS HB2 1 1
5 625 1 1 7 HIS HB3 H 6.451 -5.457 5.765 1.00 . A A . 7 HIS HB3 1 1
5 626 1 1 7 HIS HD1 H 3.499 -3.734 3.778 1.00 . A A . 7 HIS HD1 1 1
5 627 1 1 7 HIS HD2 H 7.466 -3.094 5.242 1.00 . A A . 7 HIS HD2 1 1
5 628 1 1 7 HIS HE1 H 4.298 -1.384 3.147 1.00 . A A . 7 HIS HE1 1 1
5 629 1 1 7 HIS N N 5.025 -6.064 2.804 1.00 . A A . 7 HIS N 1 1
5 630 1 1 7 HIS ND1 N 4.387 -3.297 4.046 1.00 . A A . 7 HIS ND1 1 1
5 631 1 1 7 HIS NE2 N 6.147 -1.718 4.156 1.00 . A A . 7 HIS NE2 1 1
5 632 1 1 7 HIS O O 4.843 -8.688 5.156 1.00 . A A . 7 HIS O 1 1
5 633 1 1 8 . C C 1.607 -8.702 3.420 1.00 . A A . 8 LE1 C 1 1
5 634 1 1 8 . C8 C 0.869 -6.815 6.737 1.00 . A A . 8 LE1 C8 1 1
5 635 1 1 8 . C9 C 0.656 -9.267 6.893 1.00 . A A . 8 LE1 C9 1 1
5 636 1 1 8 . CA C 2.011 -8.389 4.889 1.00 . A A . 8 LE1 CA 1 1
5 637 1 1 8 . CB C 0.800 -8.102 5.886 1.00 . A A . 8 LE1 CB 1 1
5 638 1 1 8 . H8 H -0.001 -6.707 7.412 1.00 . A A . 8 LE1 H8 1 1
5 639 1 1 8 . H8A H 1.781 -6.769 7.360 1.00 . A A . 8 LE1 H8A 1 1
5 640 1 1 8 . H8B H 0.869 -5.926 6.088 1.00 . A A . 8 LE1 H8B 1 1
5 641 1 1 8 . H9 H -0.245 -9.162 7.526 1.00 . A A . 8 LE1 H9 1 1
5 642 1 1 8 . H9A H 0.565 -10.244 6.382 1.00 . A A . 8 LE1 H9A 1 1
5 643 1 1 8 . H9B H 1.525 -9.339 7.575 1.00 . A A . 8 LE1 H9B 1 1
5 644 1 1 8 . HA H 2.503 -9.319 5.243 1.00 . A A . 8 LE1 HA 1 1
5 645 1 1 8 . HN H 2.853 -6.409 4.428 1.00 . A A . 8 LE1 HN 1 1
5 646 1 1 8 . HXT H 1.551 -10.119 2.170 1.00 . A A . 8 LE1 HXT 1 1
5 647 1 1 8 . N N 3.067 -7.328 4.822 1.00 . A A . 8 LE1 N 1 1
5 648 1 1 8 . O O 1.294 -7.852 2.589 1.00 . A A . 8 LE1 O 1 1
5 649 1 1 8 . OXT O 1.702 -10.026 3.113 1.00 . A A . 8 LE1 OXT 1 1
5 650 1 1 8 . SG S -0.838 -7.998 5.092 1.00 . A A . 8 LE1 SG 1 1
6 651 1 1 1 ACE C C 1.630 -2.250 6.388 1.00 . A A . 1 ACE C 1 1
6 652 1 1 1 ACE CH3 C 2.278 -3.582 6.699 1.00 . A A . 1 ACE CH3 1 1
6 653 1 1 1 ACE H1 H 2.340 -4.198 5.785 1.00 . A A . 1 ACE H1 1 1
6 654 1 1 1 ACE H2 H 3.294 -3.489 7.123 1.00 . A A . 1 ACE H2 1 1
6 655 1 1 1 ACE H3 H 1.667 -4.133 7.435 1.00 . A A . 1 ACE H3 1 1
6 656 1 1 1 ACE O O 0.408 -2.134 6.420 1.00 . A A . 1 ACE O 1 1
6 657 1 1 2 ARG C C 0.970 0.370 4.633 1.00 . A A . 2 ARG C 1 1
6 658 1 1 2 ARG CA C 2.007 0.139 5.795 1.00 . A A . 2 ARG CA 1 1
6 659 1 1 2 ARG CB C 3.262 1.077 5.771 1.00 . A A . 2 ARG CB 1 1
6 660 1 1 2 ARG CD C 5.228 2.142 4.391 1.00 . A A . 2 ARG CD 1 1
6 661 1 1 2 ARG CG C 3.784 1.600 4.401 1.00 . A A . 2 ARG CG 1 1
6 662 1 1 2 ARG CZ C 6.492 4.055 5.407 1.00 . A A . 2 ARG CZ 1 1
6 663 1 1 2 ARG H H 3.451 -1.542 6.064 1.00 . A A . 2 ARG H 1 1
6 664 1 1 2 ARG HA H 1.445 0.428 6.706 1.00 . A A . 2 ARG HA 1 1
6 665 1 1 2 ARG HB2 H 3.025 1.962 6.391 1.00 . A A . 2 ARG HB2 1 1
6 666 1 1 2 ARG HB3 H 4.104 0.612 6.326 1.00 . A A . 2 ARG HB3 1 1
6 667 1 1 2 ARG HD2 H 5.923 1.348 4.735 1.00 . A A . 2 ARG HD2 1 1
6 668 1 1 2 ARG HD3 H 5.514 2.362 3.341 1.00 . A A . 2 ARG HD3 1 1
6 669 1 1 2 ARG HE H 4.557 3.736 5.737 1.00 . A A . 2 ARG HE 1 1
6 670 1 1 2 ARG HG2 H 3.728 0.789 3.654 1.00 . A A . 2 ARG HG2 1 1
6 671 1 1 2 ARG HG3 H 3.087 2.367 4.007 1.00 . A A . 2 ARG HG3 1 1
6 672 1 1 2 ARG HH11 H 7.342 5.592 6.338 1.00 . A A . 2 ARG HH11 1 1
6 673 1 1 2 ARG HH12 H 5.573 5.301 6.651 1.00 . A A . 2 ARG HH12 1 1
6 674 1 1 2 ARG HH21 H 8.447 4.331 5.023 1.00 . A A . 2 ARG HH21 1 1
6 675 1 1 2 ARG HH22 H 7.583 2.935 4.217 1.00 . A A . 2 ARG HH22 1 1
6 676 1 1 2 ARG N N 2.464 -1.267 6.042 1.00 . A A . 2 ARG N 1 1
6 677 1 1 2 ARG NE N 5.364 3.371 5.222 1.00 . A A . 2 ARG NE 1 1
6 678 1 1 2 ARG NH1 N 6.466 5.084 6.204 1.00 . A A . 2 ARG NH1 1 1
6 679 1 1 2 ARG NH2 N 7.629 3.751 4.830 1.00 . A A . 2 ARG NH2 1 1
6 680 1 1 2 ARG O O 0.136 1.272 4.733 1.00 . A A . 2 ARG O 1 1
6 681 1 1 3 ALA C C -0.850 -1.661 2.235 1.00 . A A . 3 ALA C 1 1
6 682 1 1 3 ALA CA C 0.057 -0.390 2.431 1.00 . A A . 3 ALA CA 1 1
6 683 1 1 3 ALA CB C 0.920 -0.111 1.179 1.00 . A A . 3 ALA CB 1 1
6 684 1 1 3 ALA H H 1.743 -1.164 3.644 1.00 . A A . 3 ALA H 1 1
6 685 1 1 3 ALA HA H -0.642 0.461 2.549 1.00 . A A . 3 ALA HA 1 1
6 686 1 1 3 ALA HB1 H 1.608 -0.946 0.942 1.00 . A A . 3 ALA HB1 1 1
6 687 1 1 3 ALA HB2 H 0.291 0.052 0.285 1.00 . A A . 3 ALA HB2 1 1
6 688 1 1 3 ALA HB3 H 1.538 0.801 1.289 1.00 . A A . 3 ALA HB3 1 1
6 689 1 1 3 ALA N N 1.040 -0.425 3.550 1.00 . A A . 3 ALA N 1 1
6 690 1 1 3 ALA O O -1.591 -1.705 1.248 1.00 . A A . 3 ALA O 1 1
6 691 1 1 4 . C C -1.127 -4.688 1.454 1.00 . A A . 4 DCY C 1 1
6 692 1 1 4 . CA C -1.452 -4.029 2.844 1.00 . A A . 4 DCY CA 1 1
6 693 1 1 4 . CB C -1.191 -4.960 4.067 1.00 . A A . 4 DCY CB 1 1
6 694 1 1 4 . H H -0.332 -2.482 3.988 1.00 . A A . 4 DCY H 1 1
6 695 1 1 4 . HA H -2.545 -3.850 2.821 1.00 . A A . 4 DCY HA 1 1
6 696 1 1 4 . HB2 H -0.299 -4.655 4.645 1.00 . A A . 4 DCY HB2 1 1
6 697 1 1 4 . HB3 H -2.037 -4.911 4.779 1.00 . A A . 4 DCY HB3 1 1
6 698 1 1 4 . N N -0.798 -2.703 3.099 1.00 . A A . 4 DCY N 1 1
6 699 1 1 4 . O O -2.053 -4.973 0.692 1.00 . A A . 4 DCY O 1 1
6 700 1 1 4 . SG S -0.940 -6.685 3.561 1.00 . A A . 4 DCY SG 1 1
6 701 1 1 5 ARG C C 1.946 -6.238 -0.085 1.00 . A A . 5 ARG C 1 1
6 702 1 1 5 ARG CA C 0.625 -5.403 -0.198 1.00 . A A . 5 ARG CA 1 1
6 703 1 1 5 ARG CB C 0.768 -4.224 -1.216 1.00 . A A . 5 ARG CB 1 1
6 704 1 1 5 ARG CD C -0.715 -2.297 -2.109 1.00 . A A . 5 ARG CD 1 1
6 705 1 1 5 ARG CG C -0.519 -3.821 -1.980 1.00 . A A . 5 ARG CG 1 1
6 706 1 1 5 ARG CZ C -3.212 -1.986 -2.188 1.00 . A A . 5 ARG CZ 1 1
6 707 1 1 5 ARG H H 0.800 -4.737 1.917 1.00 . A A . 5 ARG H 1 1
6 708 1 1 5 ARG HA H -0.126 -6.118 -0.591 1.00 . A A . 5 ARG HA 1 1
6 709 1 1 5 ARG HB2 H 1.219 -3.351 -0.701 1.00 . A A . 5 ARG HB2 1 1
6 710 1 1 5 ARG HB3 H 1.521 -4.483 -1.986 1.00 . A A . 5 ARG HB3 1 1
6 711 1 1 5 ARG HD2 H -0.633 -1.799 -1.122 1.00 . A A . 5 ARG HD2 1 1
6 712 1 1 5 ARG HD3 H 0.119 -1.868 -2.700 1.00 . A A . 5 ARG HD3 1 1
6 713 1 1 5 ARG HE H -2.042 -1.764 -3.776 1.00 . A A . 5 ARG HE 1 1
6 714 1 1 5 ARG HG2 H -0.511 -4.289 -2.985 1.00 . A A . 5 ARG HG2 1 1
6 715 1 1 5 ARG HG3 H -1.408 -4.263 -1.497 1.00 . A A . 5 ARG HG3 1 1
6 716 1 1 5 ARG HH11 H -5.166 -1.773 -2.460 1.00 . A A . 5 ARG HH11 1 1
6 717 1 1 5 ARG HH12 H -4.096 -1.561 -3.916 1.00 . A A . 5 ARG HH12 1 1
6 718 1 1 5 ARG HH21 H -4.361 -2.234 -0.557 1.00 . A A . 5 ARG HH21 1 1
6 719 1 1 5 ARG HH22 H -2.552 -2.343 -0.347 1.00 . A A . 5 ARG HH22 1 1
6 720 1 1 5 ARG N N 0.164 -4.888 1.129 1.00 . A A . 5 ARG N 1 1
6 721 1 1 5 ARG NE N -2.010 -1.972 -2.774 1.00 . A A . 5 ARG NE 1 1
6 722 1 1 5 ARG NH1 N -4.257 -1.749 -2.926 1.00 . A A . 5 ARG NH1 1 1
6 723 1 1 5 ARG NH2 N -3.406 -2.228 -0.914 1.00 . A A . 5 ARG NH2 1 1
6 724 1 1 5 ARG O O 1.981 -7.381 -0.546 1.00 . A A . 5 ARG O 1 1
6 725 1 1 6 NAL C1 C 5.471 -2.727 0.203 1.00 . A A . 6 NAL C1 1 1
6 726 1 1 6 NAL C2 C 5.093 -3.804 -0.602 1.00 . A A . 6 NAL C2 1 1
6 727 1 1 6 NAL C3 C 4.295 -3.580 -1.728 1.00 . A A . 6 NAL C3 1 1
6 728 1 1 6 NAL C4 C 3.817 -2.309 -2.024 1.00 . A A . 6 NAL C4 1 1
6 729 1 1 6 NAL C4A C 4.159 -1.228 -1.218 1.00 . A A . 6 NAL C4A 1 1
6 730 1 1 6 NAL C5 C 3.682 0.057 -1.489 1.00 . A A . 6 NAL C5 1 1
6 731 1 1 6 NAL C6 C 4.062 1.127 -0.688 1.00 . A A . 6 NAL C6 1 1
6 732 1 1 6 NAL C7 C 4.925 0.935 0.388 1.00 . A A . 6 NAL C7 1 1
6 733 1 1 6 NAL C8 C 5.412 -0.336 0.683 1.00 . A A . 6 NAL C8 1 1
6 734 1 1 6 NAL C8A C 5.028 -1.434 -0.090 1.00 . A A . 6 NAL C8A 1 1
6 735 1 1 6 NAL C9 C 5.480 -5.259 -0.236 1.00 . A A . 6 NAL C9 1 1
6 736 1 1 6 NAL H1 H 6.104 -2.905 1.064 1.00 . A A . 6 NAL H1 1 1
6 737 1 1 6 NAL H3 H 4.003 -4.411 -2.355 1.00 . A A . 6 NAL H3 1 1
6 738 1 1 6 NAL H4 H 3.176 -2.182 -2.887 1.00 . A A . 6 NAL H4 1 1
6 739 1 1 6 NAL H5 H 3.021 0.240 -2.326 1.00 . A A . 6 NAL H5 1 1
6 740 1 1 6 NAL H6 H 3.695 2.120 -0.909 1.00 . A A . 6 NAL H6 1 1
6 741 1 1 6 NAL H7 H 5.230 1.782 0.983 1.00 . A A . 6 NAL H7 1 1
6 742 1 1 6 NAL H8 H 6.098 -0.451 1.511 1.00 . A A . 6 NAL H8 1 1
6 743 1 1 6 NAL H91 H 6.392 -5.236 0.393 1.00 . A A . 6 NAL H91 1 1
6 744 1 1 6 NAL H92 H 5.863 -5.737 -1.158 1.00 . A A . 6 NAL H92 1 1
6 745 1 1 6 NAL N N 3.034 -5.659 0.464 1.00 . A A . 6 NAL N 1 1
6 746 1 1 7 HIS C C 4.377 -7.538 4.814 1.00 . A A . 7 HIS C 1 1
6 747 1 1 7 HIS CA C 5.335 -6.448 4.212 1.00 . A A . 7 HIS CA 1 1
6 748 1 1 7 HIS CB C 5.510 -5.230 5.199 1.00 . A A . 7 HIS CB 1 1
6 749 1 1 7 HIS CD2 C 6.494 -2.806 4.884 1.00 . A A . 7 HIS CD2 1 1
6 750 1 1 7 HIS CE1 C 4.929 -1.969 3.771 1.00 . A A . 7 HIS CE1 1 1
6 751 1 1 7 HIS CG C 5.496 -3.776 4.694 1.00 . A A . 7 HIS CG 1 1
6 752 1 1 7 HIS H H 4.961 -5.030 2.561 1.00 . A A . 7 HIS H 1 1
6 753 1 1 7 HIS HA H 6.326 -6.940 4.153 1.00 . A A . 7 HIS HA 1 1
6 754 1 1 7 HIS HB2 H 4.740 -5.272 5.993 1.00 . A A . 7 HIS HB2 1 1
6 755 1 1 7 HIS HB3 H 6.444 -5.395 5.769 1.00 . A A . 7 HIS HB3 1 1
6 756 1 1 7 HIS HD1 H 3.571 -3.659 3.676 1.00 . A A . 7 HIS HD1 1 1
6 757 1 1 7 HIS HD2 H 7.417 -2.970 5.423 1.00 . A A . 7 HIS HD2 1 1
6 758 1 1 7 HIS HE1 H 4.362 -1.277 3.166 1.00 . A A . 7 HIS HE1 1 1
6 759 1 1 7 HIS N N 5.013 -6.023 2.810 1.00 . A A . 7 HIS N 1 1
6 760 1 1 7 HIS ND1 N 4.446 -3.224 3.984 1.00 . A A . 7 HIS ND1 1 1
6 761 1 1 7 HIS NE2 N 6.143 -1.601 4.284 1.00 . A A . 7 HIS NE2 1 1
6 762 1 1 7 HIS O O 4.843 -8.603 5.223 1.00 . A A . 7 HIS O 1 1
6 763 1 1 8 . C C 1.607 -8.699 3.426 1.00 . A A . 8 LE1 C 1 1
6 764 1 1 8 . C8 C 0.853 -6.835 6.758 1.00 . A A . 8 LE1 C8 1 1
6 765 1 1 8 . C9 C 0.650 -9.291 6.864 1.00 . A A . 8 LE1 C9 1 1
6 766 1 1 8 . CA C 2.013 -8.365 4.890 1.00 . A A . 8 LE1 CA 1 1
6 767 1 1 8 . CB C 0.795 -8.105 5.883 1.00 . A A . 8 LE1 CB 1 1
6 768 1 1 8 . H8 H -0.012 -6.753 7.443 1.00 . A A . 8 LE1 H8 1 1
6 769 1 1 8 . H8A H 1.770 -6.788 7.374 1.00 . A A . 8 LE1 H8A 1 1
6 770 1 1 8 . H8B H 0.832 -5.935 6.125 1.00 . A A . 8 LE1 H8B 1 1
6 771 1 1 8 . H9 H 0.545 -10.254 6.331 1.00 . A A . 8 LE1 H9 1 1
6 772 1 1 8 . H9A H 1.526 -9.387 7.535 1.00 . A A . 8 LE1 H9A 1 1
6 773 1 1 8 . H9B H -0.243 -9.193 7.510 1.00 . A A . 8 LE1 H9B 1 1
6 774 1 1 8 . HA H 2.524 -9.284 5.245 1.00 . A A . 8 LE1 HA 1 1
6 775 1 1 8 . HN H 2.831 -6.383 4.387 1.00 . A A . 8 LE1 HN 1 1
6 776 1 1 8 . HXT H 1.480 -10.146 2.215 1.00 . A A . 8 LE1 HXT 1 1
6 777 1 1 8 . N N 3.051 -7.284 4.817 1.00 . A A . 8 LE1 N 1 1
6 778 1 1 8 . O O 1.321 -7.860 2.574 1.00 . A A . 8 LE1 O 1 1
6 779 1 1 8 . OXT O 1.647 -10.033 3.154 1.00 . A A . 8 LE1 OXT 1 1
6 780 1 1 8 . SG S -0.839 -7.995 5.079 1.00 . A A . 8 LE1 SG 1 1
7 781 1 1 1 ACE C C 2.112 -1.862 7.168 1.00 . A A . 1 ACE C 1 1
7 782 1 1 1 ACE CH3 C 2.644 -3.274 7.298 1.00 . A A . 1 ACE CH3 1 1
7 783 1 1 1 ACE H1 H 3.222 -3.388 8.232 1.00 . A A . 1 ACE H1 1 1
7 784 1 1 1 ACE H2 H 1.791 -3.967 7.361 1.00 . A A . 1 ACE H2 1 1
7 785 1 1 1 ACE H3 H 3.281 -3.604 6.462 1.00 . A A . 1 ACE H3 1 1
7 786 1 1 1 ACE O O 1.338 -1.433 8.020 1.00 . A A . 1 ACE O 1 1
7 787 1 1 2 ARG C C 0.934 0.339 4.649 1.00 . A A . 2 ARG C 1 1
7 788 1 1 2 ARG CA C 1.987 0.219 5.807 1.00 . A A . 2 ARG CA 1 1
7 789 1 1 2 ARG CB C 3.174 1.230 5.739 1.00 . A A . 2 ARG CB 1 1
7 790 1 1 2 ARG CD C 5.170 2.299 4.436 1.00 . A A . 2 ARG CD 1 1
7 791 1 1 2 ARG CG C 3.847 1.502 4.368 1.00 . A A . 2 ARG CG 1 1
7 792 1 1 2 ARG CZ C 4.848 4.591 5.441 1.00 . A A . 2 ARG CZ 1 1
7 793 1 1 2 ARG H H 3.251 -1.620 5.572 1.00 . A A . 2 ARG H 1 1
7 794 1 1 2 ARG HA H 1.406 0.558 6.689 1.00 . A A . 2 ARG HA 1 1
7 795 1 1 2 ARG HB2 H 2.802 2.197 6.126 1.00 . A A . 2 ARG HB2 1 1
7 796 1 1 2 ARG HB3 H 3.944 0.924 6.477 1.00 . A A . 2 ARG HB3 1 1
7 797 1 1 2 ARG HD2 H 5.802 1.973 5.286 1.00 . A A . 2 ARG HD2 1 1
7 798 1 1 2 ARG HD3 H 5.782 2.019 3.556 1.00 . A A . 2 ARG HD3 1 1
7 799 1 1 2 ARG HE H 4.971 4.274 3.492 1.00 . A A . 2 ARG HE 1 1
7 800 1 1 2 ARG HG2 H 4.054 0.539 3.876 1.00 . A A . 2 ARG HG2 1 1
7 801 1 1 2 ARG HG3 H 3.128 2.002 3.687 1.00 . A A . 2 ARG HG3 1 1
7 802 1 1 2 ARG HH11 H 4.652 6.475 6.043 1.00 . A A . 2 ARG HH11 1 1
7 803 1 1 2 ARG HH12 H 4.780 6.183 4.252 1.00 . A A . 2 ARG HH12 1 1
7 804 1 1 2 ARG HH21 H 4.706 4.858 7.430 1.00 . A A . 2 ARG HH21 1 1
7 805 1 1 2 ARG HH22 H 4.887 3.158 6.772 1.00 . A A . 2 ARG HH22 1 1
7 806 1 1 2 ARG N N 2.501 -1.161 6.098 1.00 . A A . 2 ARG N 1 1
7 807 1 1 2 ARG NE N 4.972 3.779 4.389 1.00 . A A . 2 ARG NE 1 1
7 808 1 1 2 ARG NH1 N 4.746 5.870 5.224 1.00 . A A . 2 ARG NH1 1 1
7 809 1 1 2 ARG NH2 N 4.822 4.173 6.681 1.00 . A A . 2 ARG NH2 1 1
7 810 1 1 2 ARG O O 0.085 1.231 4.712 1.00 . A A . 2 ARG O 1 1
7 811 1 1 3 ALA C C -0.866 -1.712 2.183 1.00 . A A . 3 ALA C 1 1
7 812 1 1 3 ALA CA C 0.044 -0.453 2.442 1.00 . A A . 3 ALA CA 1 1
7 813 1 1 3 ALA CB C 0.944 -0.143 1.224 1.00 . A A . 3 ALA CB 1 1
7 814 1 1 3 ALA H H 1.734 -1.203 3.668 1.00 . A A . 3 ALA H 1 1
7 815 1 1 3 ALA HA H -0.662 0.395 2.549 1.00 . A A . 3 ALA HA 1 1
7 816 1 1 3 ALA HB1 H 1.652 -0.964 0.997 1.00 . A A . 3 ALA HB1 1 1
7 817 1 1 3 ALA HB2 H 0.344 0.022 0.311 1.00 . A A . 3 ALA HB2 1 1
7 818 1 1 3 ALA HB3 H 1.543 0.777 1.366 1.00 . A A . 3 ALA HB3 1 1
7 819 1 1 3 ALA N N 0.990 -0.506 3.599 1.00 . A A . 3 ALA N 1 1
7 820 1 1 3 ALA O O -1.535 -1.756 1.146 1.00 . A A . 3 ALA O 1 1
7 821 1 1 4 . C C -1.155 -4.776 1.463 1.00 . A A . 4 DCY C 1 1
7 822 1 1 4 . CA C -1.547 -4.061 2.805 1.00 . A A . 4 DCY CA 1 1
7 823 1 1 4 . CB C -1.339 -4.949 4.066 1.00 . A A . 4 DCY CB 1 1
7 824 1 1 4 . H H -0.428 -2.516 3.955 1.00 . A A . 4 DCY H 1 1
7 825 1 1 4 . HA H -2.637 -3.878 2.722 1.00 . A A . 4 DCY HA 1 1
7 826 1 1 4 . HB2 H -0.415 -4.676 4.602 1.00 . A A . 4 DCY HB2 1 1
7 827 1 1 4 . HB3 H -2.160 -4.804 4.793 1.00 . A A . 4 DCY HB3 1 1
7 828 1 1 4 . N N -0.892 -2.735 3.068 1.00 . A A . 4 DCY N 1 1
7 829 1 1 4 . O O -2.044 -5.170 0.705 1.00 . A A . 4 DCY O 1 1
7 830 1 1 4 . SG S -1.196 -6.711 3.654 1.00 . A A . 4 DCY SG 1 1
7 831 1 1 5 ARG C C 1.964 -6.204 -0.069 1.00 . A A . 5 ARG C 1 1
7 832 1 1 5 ARG CA C 0.648 -5.361 -0.171 1.00 . A A . 5 ARG CA 1 1
7 833 1 1 5 ARG CB C 0.803 -4.125 -1.117 1.00 . A A . 5 ARG CB 1 1
7 834 1 1 5 ARG CD C -0.351 -2.230 -2.422 1.00 . A A . 5 ARG CD 1 1
7 835 1 1 5 ARG CG C -0.494 -3.635 -1.804 1.00 . A A . 5 ARG CG 1 1
7 836 1 1 5 ARG CZ C -1.667 -2.169 -4.564 1.00 . A A . 5 ARG CZ 1 1
7 837 1 1 5 ARG H H 0.767 -4.695 1.949 1.00 . A A . 5 ARG H 1 1
7 838 1 1 5 ARG HA H -0.092 -6.051 -0.625 1.00 . A A . 5 ARG HA 1 1
7 839 1 1 5 ARG HB2 H 1.277 -3.293 -0.557 1.00 . A A . 5 ARG HB2 1 1
7 840 1 1 5 ARG HB3 H 1.525 -4.364 -1.920 1.00 . A A . 5 ARG HB3 1 1
7 841 1 1 5 ARG HD2 H -0.275 -1.492 -1.597 1.00 . A A . 5 ARG HD2 1 1
7 842 1 1 5 ARG HD3 H 0.602 -2.116 -2.975 1.00 . A A . 5 ARG HD3 1 1
7 843 1 1 5 ARG HE H -2.350 -1.432 -2.848 1.00 . A A . 5 ARG HE 1 1
7 844 1 1 5 ARG HG2 H -0.802 -4.379 -2.565 1.00 . A A . 5 ARG HG2 1 1
7 845 1 1 5 ARG HG3 H -1.333 -3.606 -1.082 1.00 . A A . 5 ARG HG3 1 1
7 846 1 1 5 ARG HH11 H -2.844 -2.033 -6.158 1.00 . A A . 5 ARG HH11 1 1
7 847 1 1 5 ARG HH12 H -3.467 -1.329 -4.600 1.00 . A A . 5 ARG HH12 1 1
7 848 1 1 5 ARG HH21 H -0.931 -2.973 -6.257 1.00 . A A . 5 ARG HH21 1 1
7 849 1 1 5 ARG HH22 H 0.063 -3.071 -4.724 1.00 . A A . 5 ARG HH22 1 1
7 850 1 1 5 ARG N N 0.149 -4.906 1.161 1.00 . A A . 5 ARG N 1 1
7 851 1 1 5 ARG NE N -1.535 -1.895 -3.263 1.00 . A A . 5 ARG NE 1 1
7 852 1 1 5 ARG NH1 N -2.763 -1.807 -5.165 1.00 . A A . 5 ARG NH1 1 1
7 853 1 1 5 ARG NH2 N -0.754 -2.791 -5.268 1.00 . A A . 5 ARG NH2 1 1
7 854 1 1 5 ARG O O 1.988 -7.342 -0.541 1.00 . A A . 5 ARG O 1 1
7 855 1 1 6 NAL C1 C 5.511 -2.714 0.283 1.00 . A A . 6 NAL C1 1 1
7 856 1 1 6 NAL C2 C 5.127 -3.775 -0.540 1.00 . A A . 6 NAL C2 1 1
7 857 1 1 6 NAL C3 C 4.331 -3.528 -1.662 1.00 . A A . 6 NAL C3 1 1
7 858 1 1 6 NAL C4 C 3.862 -2.250 -1.940 1.00 . A A . 6 NAL C4 1 1
7 859 1 1 6 NAL C4A C 4.207 -1.184 -1.113 1.00 . A A . 6 NAL C4A 1 1
7 860 1 1 6 NAL C5 C 3.735 0.106 -1.361 1.00 . A A . 6 NAL C5 1 1
7 861 1 1 6 NAL C6 C 4.115 1.161 -0.539 1.00 . A A . 6 NAL C6 1 1
7 862 1 1 6 NAL C7 C 4.974 0.946 0.535 1.00 . A A . 6 NAL C7 1 1
7 863 1 1 6 NAL C8 C 5.455 -0.332 0.808 1.00 . A A . 6 NAL C8 1 1
7 864 1 1 6 NAL C8A C 5.072 -1.413 0.012 1.00 . A A . 6 NAL C8A 1 1
7 865 1 1 6 NAL C9 C 5.509 -5.238 -0.197 1.00 . A A . 6 NAL C9 1 1
7 866 1 1 6 NAL H1 H 6.145 -2.908 1.138 1.00 . A A . 6 NAL H1 1 1
7 867 1 1 6 NAL H3 H 4.036 -4.347 -2.304 1.00 . A A . 6 NAL H3 1 1
7 868 1 1 6 NAL H4 H 3.227 -2.103 -2.803 1.00 . A A . 6 NAL H4 1 1
7 869 1 1 6 NAL H5 H 3.077 0.309 -2.196 1.00 . A A . 6 NAL H5 1 1
7 870 1 1 6 NAL H6 H 3.752 2.159 -0.743 1.00 . A A . 6 NAL H6 1 1
7 871 1 1 6 NAL H7 H 5.280 1.780 1.148 1.00 . A A . 6 NAL H7 1 1
7 872 1 1 6 NAL H8 H 6.139 -0.463 1.637 1.00 . A A . 6 NAL H8 1 1
7 873 1 1 6 NAL H91 H 6.407 -5.225 0.452 1.00 . A A . 6 NAL H91 1 1
7 874 1 1 6 NAL H92 H 5.915 -5.693 -1.120 1.00 . A A . 6 NAL H92 1 1
7 875 1 1 6 NAL N N 3.059 -5.647 0.490 1.00 . A A . 6 NAL N 1 1
7 876 1 1 7 HIS C C 4.432 -7.675 4.764 1.00 . A A . 7 HIS C 1 1
7 877 1 1 7 HIS CA C 5.447 -6.630 4.175 1.00 . A A . 7 HIS CA 1 1
7 878 1 1 7 HIS CB C 5.727 -5.437 5.172 1.00 . A A . 7 HIS CB 1 1
7 879 1 1 7 HIS CD2 C 6.604 -2.971 4.887 1.00 . A A . 7 HIS CD2 1 1
7 880 1 1 7 HIS CE1 C 4.984 -2.166 3.831 1.00 . A A . 7 HIS CE1 1 1
7 881 1 1 7 HIS CG C 5.618 -3.962 4.731 1.00 . A A . 7 HIS CG 1 1
7 882 1 1 7 HIS H H 5.126 -5.147 2.573 1.00 . A A . 7 HIS H 1 1
7 883 1 1 7 HIS HA H 6.400 -7.189 4.086 1.00 . A A . 7 HIS HA 1 1
7 884 1 1 7 HIS HB2 H 5.081 -5.527 6.066 1.00 . A A . 7 HIS HB2 1 1
7 885 1 1 7 HIS HB3 H 6.736 -5.594 5.599 1.00 . A A . 7 HIS HB3 1 1
7 886 1 1 7 HIS HD1 H 3.687 -3.898 3.721 1.00 . A A . 7 HIS HD1 1 1
7 887 1 1 7 HIS HD2 H 7.559 -3.124 5.369 1.00 . A A . 7 HIS HD2 1 1
7 888 1 1 7 HIS HE1 H 4.414 -1.505 3.195 1.00 . A A . 7 HIS HE1 1 1
7 889 1 1 7 HIS N N 5.130 -6.149 2.789 1.00 . A A . 7 HIS N 1 1
7 890 1 1 7 HIS ND1 N 4.524 -3.424 4.076 1.00 . A A . 7 HIS ND1 1 1
7 891 1 1 7 HIS NE2 N 6.209 -1.774 4.300 1.00 . A A . 7 HIS NE2 1 1
7 892 1 1 7 HIS O O 4.791 -8.827 5.015 1.00 . A A . 7 HIS O 1 1
7 893 1 1 8 . C C 1.546 -8.349 3.437 1.00 . A A . 8 LE1 C 1 1
7 894 1 1 8 . C8 C 0.902 -6.419 6.587 1.00 . A A . 8 LE1 C8 1 1
7 895 1 1 8 . C9 C 0.785 -8.826 7.111 1.00 . A A . 8 LE1 C9 1 1
7 896 1 1 8 . CA C 1.987 -8.213 4.920 1.00 . A A . 8 LE1 CA 1 1
7 897 1 1 8 . CB C 0.825 -7.819 5.938 1.00 . A A . 8 LE1 CB 1 1
7 898 1 1 8 . H8 H 1.755 -6.335 7.288 1.00 . A A . 8 LE1 H8 1 1
7 899 1 1 8 . H8A H 1.045 -5.636 5.826 1.00 . A A . 8 LE1 H8A 1 1
7 900 1 1 8 . H8B H -0.015 -6.167 7.151 1.00 . A A . 8 LE1 H8B 1 1
7 901 1 1 8 . H9 H -0.022 -8.597 7.832 1.00 . A A . 8 LE1 H9 1 1
7 902 1 1 8 . H9A H 0.600 -9.858 6.758 1.00 . A A . 8 LE1 H9A 1 1
7 903 1 1 8 . H9B H 1.734 -8.843 7.680 1.00 . A A . 8 LE1 H9B 1 1
7 904 1 1 8 . HA H 2.352 -9.223 5.201 1.00 . A A . 8 LE1 HA 1 1
7 905 1 1 8 . HN H 3.027 -6.295 4.656 1.00 . A A . 8 LE1 HN 1 1
7 906 1 1 8 . HXT H 1.421 -9.624 2.041 1.00 . A A . 8 LE1 HXT 1 1
7 907 1 1 8 . N N 3.157 -7.274 4.916 1.00 . A A . 8 LE1 N 1 1
7 908 1 1 8 . O O 1.265 -7.398 2.713 1.00 . A A . 8 LE1 O 1 1
7 909 1 1 8 . OXT O 1.578 -9.635 2.987 1.00 . A A . 8 LE1 OXT 1 1
7 910 1 1 8 . SG S -0.867 -7.896 5.251 1.00 . A A . 8 LE1 SG 1 1
8 911 1 1 1 ACE C C 1.721 -2.015 6.855 1.00 . A A . 1 ACE C 1 1
8 912 1 1 1 ACE CH3 C 2.285 -3.413 7.025 1.00 . A A . 1 ACE CH3 1 1
8 913 1 1 1 ACE H1 H 2.008 -3.820 8.014 1.00 . A A . 1 ACE H1 1 1
8 914 1 1 1 ACE H2 H 1.869 -4.091 6.260 1.00 . A A . 1 ACE H2 1 1
8 915 1 1 1 ACE H3 H 3.387 -3.444 6.960 1.00 . A A . 1 ACE H3 1 1
8 916 1 1 1 ACE O O 0.683 -1.692 7.428 1.00 . A A . 1 ACE O 1 1
8 917 1 1 2 ARG C C 0.961 0.394 4.593 1.00 . A A . 2 ARG C 1 1
8 918 1 1 2 ARG CA C 1.984 0.209 5.768 1.00 . A A . 2 ARG CA 1 1
8 919 1 1 2 ARG CB C 3.246 1.137 5.754 1.00 . A A . 2 ARG CB 1 1
8 920 1 1 2 ARG CD C 3.067 2.832 3.780 1.00 . A A . 2 ARG CD 1 1
8 921 1 1 2 ARG CG C 3.855 1.667 4.425 1.00 . A A . 2 ARG CG 1 1
8 922 1 1 2 ARG CZ C 3.619 5.016 2.681 1.00 . A A . 2 ARG CZ 1 1
8 923 1 1 2 ARG H H 3.285 -1.610 5.716 1.00 . A A . 2 ARG H 1 1
8 924 1 1 2 ARG HA H 1.412 0.553 6.654 1.00 . A A . 2 ARG HA 1 1
8 925 1 1 2 ARG HB2 H 3.022 2.016 6.388 1.00 . A A . 2 ARG HB2 1 1
8 926 1 1 2 ARG HB3 H 4.065 0.654 6.327 1.00 . A A . 2 ARG HB3 1 1
8 927 1 1 2 ARG HD2 H 2.358 2.428 3.027 1.00 . A A . 2 ARG HD2 1 1
8 928 1 1 2 ARG HD3 H 2.433 3.329 4.544 1.00 . A A . 2 ARG HD3 1 1
8 929 1 1 2 ARG HE H 4.999 3.686 3.182 1.00 . A A . 2 ARG HE 1 1
8 930 1 1 2 ARG HG2 H 4.893 1.980 4.657 1.00 . A A . 2 ARG HG2 1 1
8 931 1 1 2 ARG HG3 H 3.981 0.852 3.691 1.00 . A A . 2 ARG HG3 1 1
8 932 1 1 2 ARG HH11 H 4.248 6.761 1.964 1.00 . A A . 2 ARG HH11 1 1
8 933 1 1 2 ARG HH12 H 5.518 5.543 2.421 1.00 . A A . 2 ARG HH12 1 1
8 934 1 1 2 ARG HH21 H 2.173 6.333 2.203 1.00 . A A . 2 ARG HH21 1 1
8 935 1 1 2 ARG HH22 H 1.689 4.702 2.877 1.00 . A A . 2 ARG HH22 1 1
8 936 1 1 2 ARG N N 2.401 -1.205 6.041 1.00 . A A . 2 ARG N 1 1
8 937 1 1 2 ARG NE N 3.985 3.826 3.156 1.00 . A A . 2 ARG NE 1 1
8 938 1 1 2 ARG NH1 N 4.549 5.846 2.307 1.00 . A A . 2 ARG NH1 1 1
8 939 1 1 2 ARG NH2 N 2.370 5.400 2.570 1.00 . A A . 2 ARG NH2 1 1
8 940 1 1 2 ARG O O 0.070 1.239 4.696 1.00 . A A . 2 ARG O 1 1
8 941 1 1 3 ALA C C -0.806 -1.586 2.188 1.00 . A A . 3 ALA C 1 1
8 942 1 1 3 ALA CA C 0.132 -0.336 2.349 1.00 . A A . 3 ALA CA 1 1
8 943 1 1 3 ALA CB C 0.995 -0.118 1.090 1.00 . A A . 3 ALA CB 1 1
8 944 1 1 3 ALA H H 1.866 -1.031 3.541 1.00 . A A . 3 ALA H 1 1
8 945 1 1 3 ALA HA H -0.549 0.535 2.433 1.00 . A A . 3 ALA HA 1 1
8 946 1 1 3 ALA HB1 H 1.667 -0.974 0.881 1.00 . A A . 3 ALA HB1 1 1
8 947 1 1 3 ALA HB2 H 0.368 0.025 0.190 1.00 . A A . 3 ALA HB2 1 1
8 948 1 1 3 ALA HB3 H 1.629 0.785 1.166 1.00 . A A . 3 ALA HB3 1 1
8 949 1 1 3 ALA N N 1.103 -0.353 3.482 1.00 . A A . 3 ALA N 1 1
8 950 1 1 3 ALA O O -1.595 -1.612 1.238 1.00 . A A . 3 ALA O 1 1
8 951 1 1 4 . C C -1.190 -4.710 1.557 1.00 . A A . 4 DCY C 1 1
8 952 1 1 4 . CA C -1.511 -3.889 2.863 1.00 . A A . 4 DCY CA 1 1
8 953 1 1 4 . CB C -1.400 -4.721 4.164 1.00 . A A . 4 DCY CB 1 1
8 954 1 1 4 . H H -0.188 -2.431 3.893 1.00 . A A . 4 DCY H 1 1
8 955 1 1 4 . HA H -2.577 -3.597 2.778 1.00 . A A . 4 DCY HA 1 1
8 956 1 1 4 . HB2 H -1.427 -4.102 5.082 1.00 . A A . 4 DCY HB2 1 1
8 957 1 1 4 . HB3 H -2.274 -5.394 4.241 1.00 . A A . 4 DCY HB3 1 1
8 958 1 1 4 . N N -0.731 -2.627 3.045 1.00 . A A . 4 DCY N 1 1
8 959 1 1 4 . O O -2.117 -5.135 0.864 1.00 . A A . 4 DCY O 1 1
8 960 1 1 4 . SG S 0.074 -5.760 4.154 1.00 . A A . 4 DCY SG 1 1
8 961 1 1 5 ARG C C 1.897 -6.247 0.034 1.00 . A A . 5 ARG C 1 1
8 962 1 1 5 ARG CA C 0.566 -5.429 -0.100 1.00 . A A . 5 ARG CA 1 1
8 963 1 1 5 ARG CB C 0.705 -4.274 -1.146 1.00 . A A . 5 ARG CB 1 1
8 964 1 1 5 ARG CD C -0.712 -2.306 -2.047 1.00 . A A . 5 ARG CD 1 1
8 965 1 1 5 ARG CG C -0.599 -3.833 -1.859 1.00 . A A . 5 ARG CG 1 1
8 966 1 1 5 ARG CZ C -3.191 -1.875 -2.174 1.00 . A A . 5 ARG CZ 1 1
8 967 1 1 5 ARG H H 0.745 -4.483 1.905 1.00 . A A . 5 ARG H 1 1
8 968 1 1 5 ARG HA H -0.182 -6.158 -0.477 1.00 . A A . 5 ARG HA 1 1
8 969 1 1 5 ARG HB2 H 1.207 -3.410 -0.665 1.00 . A A . 5 ARG HB2 1 1
8 970 1 1 5 ARG HB3 H 1.416 -4.573 -1.942 1.00 . A A . 5 ARG HB3 1 1
8 971 1 1 5 ARG HD2 H -0.607 -1.779 -1.078 1.00 . A A . 5 ARG HD2 1 1
8 972 1 1 5 ARG HD3 H 0.150 -1.945 -2.647 1.00 . A A . 5 ARG HD3 1 1
8 973 1 1 5 ARG HE H -1.980 -1.700 -3.736 1.00 . A A . 5 ARG HE 1 1
8 974 1 1 5 ARG HG2 H -0.673 -4.344 -2.839 1.00 . A A . 5 ARG HG2 1 1
8 975 1 1 5 ARG HG3 H -1.482 -4.196 -1.303 1.00 . A A . 5 ARG HG3 1 1
8 976 1 1 5 ARG HH11 H -5.124 -1.547 -2.482 1.00 . A A . 5 ARG HH11 1 1
8 977 1 1 5 ARG HH12 H -4.012 -1.375 -3.913 1.00 . A A . 5 ARG HH12 1 1
8 978 1 1 5 ARG HH21 H -4.385 -2.075 -0.569 1.00 . A A . 5 ARG HH21 1 1
8 979 1 1 5 ARG HH22 H -2.586 -2.258 -0.323 1.00 . A A . 5 ARG HH22 1 1
8 980 1 1 5 ARG N N 0.103 -4.869 1.207 1.00 . A A . 5 ARG N 1 1
8 981 1 1 5 ARG NE N -1.978 -1.920 -2.735 1.00 . A A . 5 ARG NE 1 1
8 982 1 1 5 ARG NH1 N -4.206 -1.573 -2.929 1.00 . A A . 5 ARG NH1 1 1
8 983 1 1 5 ARG NH2 N -3.423 -2.116 -0.907 1.00 . A A . 5 ARG NH2 1 1
8 984 1 1 5 ARG O O 1.939 -7.408 -0.375 1.00 . A A . 5 ARG O 1 1
8 985 1 1 6 NAL C1 C 5.443 -2.676 0.308 1.00 . A A . 6 NAL C1 1 1
8 986 1 1 6 NAL C2 C 5.041 -3.737 -0.507 1.00 . A A . 6 NAL C2 1 1
8 987 1 1 6 NAL C3 C 4.232 -3.488 -1.621 1.00 . A A . 6 NAL C3 1 1
8 988 1 1 6 NAL C4 C 3.780 -2.204 -1.902 1.00 . A A . 6 NAL C4 1 1
8 989 1 1 6 NAL C4A C 4.155 -1.136 -1.091 1.00 . A A . 6 NAL C4A 1 1
8 990 1 1 6 NAL C5 C 3.710 0.163 -1.352 1.00 . A A . 6 NAL C5 1 1
8 991 1 1 6 NAL C6 C 4.114 1.217 -0.540 1.00 . A A . 6 NAL C6 1 1
8 992 1 1 6 NAL C7 C 4.969 0.993 0.535 1.00 . A A . 6 NAL C7 1 1
8 993 1 1 6 NAL C8 C 5.429 -0.290 0.815 1.00 . A A . 6 NAL C8 1 1
8 994 1 1 6 NAL C8A C 5.023 -1.371 0.031 1.00 . A A . 6 NAL C8A 1 1
8 995 1 1 6 NAL C9 C 5.433 -5.199 -0.178 1.00 . A A . 6 NAL C9 1 1
8 996 1 1 6 NAL H1 H 6.084 -2.874 1.158 1.00 . A A . 6 NAL H1 1 1
8 997 1 1 6 NAL H3 H 3.923 -4.304 -2.256 1.00 . A A . 6 NAL H3 1 1
8 998 1 1 6 NAL H4 H 3.138 -2.055 -2.760 1.00 . A A . 6 NAL H4 1 1
8 999 1 1 6 NAL H5 H 3.054 0.368 -2.188 1.00 . A A . 6 NAL H5 1 1
8 1000 1 1 6 NAL H6 H 3.768 2.218 -0.751 1.00 . A A . 6 NAL H6 1 1
8 1001 1 1 6 NAL H7 H 5.289 1.824 1.146 1.00 . A A . 6 NAL H7 1 1
8 1002 1 1 6 NAL H8 H 6.113 -0.428 1.643 1.00 . A A . 6 NAL H8 1 1
8 1003 1 1 6 NAL H91 H 6.353 -5.189 0.438 1.00 . A A . 6 NAL H91 1 1
8 1004 1 1 6 NAL H92 H 5.805 -5.654 -1.117 1.00 . A A . 6 NAL H92 1 1
8 1005 1 1 6 NAL N N 2.993 -5.633 0.533 1.00 . A A . 6 NAL N 1 1
8 1006 1 1 7 HIS C C 4.402 -7.598 4.829 1.00 . A A . 7 HIS C 1 1
8 1007 1 1 7 HIS CA C 5.314 -6.458 4.254 1.00 . A A . 7 HIS CA 1 1
8 1008 1 1 7 HIS CB C 5.402 -5.264 5.276 1.00 . A A . 7 HIS CB 1 1
8 1009 1 1 7 HIS CD2 C 6.417 -2.849 4.977 1.00 . A A . 7 HIS CD2 1 1
8 1010 1 1 7 HIS CE1 C 4.868 -2.003 3.848 1.00 . A A . 7 HIS CE1 1 1
8 1011 1 1 7 HIS CG C 5.403 -3.803 4.795 1.00 . A A . 7 HIS CG 1 1
8 1012 1 1 7 HIS H H 4.952 -5.017 2.619 1.00 . A A . 7 HIS H 1 1
8 1013 1 1 7 HIS HA H 6.329 -6.901 4.203 1.00 . A A . 7 HIS HA 1 1
8 1014 1 1 7 HIS HB2 H 4.575 -5.328 6.009 1.00 . A A . 7 HIS HB2 1 1
8 1015 1 1 7 HIS HB3 H 6.294 -5.428 5.909 1.00 . A A . 7 HIS HB3 1 1
8 1016 1 1 7 HIS HD1 H 3.498 -3.688 3.749 1.00 . A A . 7 HIS HD1 1 1
8 1017 1 1 7 HIS HD2 H 7.339 -3.025 5.512 1.00 . A A . 7 HIS HD2 1 1
8 1018 1 1 7 HIS HE1 H 4.326 -1.315 3.218 1.00 . A A . 7 HIS HE1 1 1
8 1019 1 1 7 HIS N N 5.001 -6.013 2.854 1.00 . A A . 7 HIS N 1 1
8 1020 1 1 7 HIS ND1 N 4.356 -3.242 4.088 1.00 . A A . 7 HIS ND1 1 1
8 1021 1 1 7 HIS NE2 N 6.086 -1.648 4.360 1.00 . A A . 7 HIS NE2 1 1
8 1022 1 1 7 HIS O O 4.919 -8.583 5.359 1.00 . A A . 7 HIS O 1 1
8 1023 1 1 8 . C C 1.811 -9.033 3.317 1.00 . A A . 8 LE1 C 1 1
8 1024 1 1 8 . C8 C 1.058 -7.534 6.955 1.00 . A A . 8 LE1 C8 1 1
8 1025 1 1 8 . C9 C 0.264 -9.747 6.150 1.00 . A A . 8 LE1 C9 1 1
8 1026 1 1 8 . CA C 2.134 -8.633 4.792 1.00 . A A . 8 LE1 CA 1 1
8 1027 1 1 8 . CB C 0.853 -8.395 5.686 1.00 . A A . 8 LE1 CB 1 1
8 1028 1 1 8 . H8 H 1.358 -6.502 6.698 1.00 . A A . 8 LE1 H8 1 1
8 1029 1 1 8 . H8A H 0.135 -7.449 7.558 1.00 . A A . 8 LE1 H8A 1 1
8 1030 1 1 8 . H8B H 1.847 -7.945 7.611 1.00 . A A . 8 LE1 H8B 1 1
8 1031 1 1 8 . H9 H -0.690 -9.617 6.693 1.00 . A A . 8 LE1 H9 1 1
8 1032 1 1 8 . H9A H 0.051 -10.421 5.298 1.00 . A A . 8 LE1 H9A 1 1
8 1033 1 1 8 . H9B H 0.951 -10.289 6.828 1.00 . A A . 8 LE1 H9B 1 1
8 1034 1 1 8 . HA H 2.675 -9.490 5.242 1.00 . A A . 8 LE1 HA 1 1
8 1035 1 1 8 . HN H 2.809 -6.637 4.155 1.00 . A A . 8 LE1 HN 1 1
8 1036 1 1 8 . HXT H 2.237 -10.324 2.006 1.00 . A A . 8 LE1 HXT 1 1
8 1037 1 1 8 . N N 3.066 -7.468 4.694 1.00 . A A . 8 LE1 N 1 1
8 1038 1 1 8 . O O 1.146 -8.348 2.540 1.00 . A A . 8 LE1 O 1 1
8 1039 1 1 8 . OXT O 2.393 -10.207 2.945 1.00 . A A . 8 LE1 OXT 1 1
8 1040 1 1 8 . SG S -0.445 -7.613 4.696 1.00 . A A . 8 LE1 SG 1 1
9 1041 1 1 1 ACE C C 1.928 -1.892 7.133 1.00 . A A . 1 ACE C 1 1
9 1042 1 1 1 ACE CH3 C 2.466 -3.295 7.320 1.00 . A A . 1 ACE CH3 1 1
9 1043 1 1 1 ACE H1 H 1.624 -4.000 7.262 1.00 . A A . 1 ACE H1 1 1
9 1044 1 1 1 ACE H2 H 3.216 -3.603 6.572 1.00 . A A . 1 ACE H2 1 1
9 1045 1 1 1 ACE H3 H 2.917 -3.410 8.320 1.00 . A A . 1 ACE H3 1 1
9 1046 1 1 1 ACE O O 1.039 -1.477 7.872 1.00 . A A . 1 ACE O 1 1
9 1047 1 1 2 ARG C C 0.985 0.369 4.648 1.00 . A A . 2 ARG C 1 1
9 1048 1 1 2 ARG CA C 2.027 0.218 5.819 1.00 . A A . 2 ARG CA 1 1
9 1049 1 1 2 ARG CB C 3.306 1.120 5.744 1.00 . A A . 2 ARG CB 1 1
9 1050 1 1 2 ARG CD C 3.205 2.963 3.917 1.00 . A A . 2 ARG CD 1 1
9 1051 1 1 2 ARG CG C 3.816 1.610 4.359 1.00 . A A . 2 ARG CG 1 1
9 1052 1 1 2 ARG CZ C 2.166 3.939 1.856 1.00 . A A . 2 ARG CZ 1 1
9 1053 1 1 2 ARG H H 3.278 -1.632 5.720 1.00 . A A . 2 ARG H 1 1
9 1054 1 1 2 ARG HA H 1.468 0.609 6.694 1.00 . A A . 2 ARG HA 1 1
9 1055 1 1 2 ARG HB2 H 3.141 2.002 6.394 1.00 . A A . 2 ARG HB2 1 1
9 1056 1 1 2 ARG HB3 H 4.155 0.628 6.264 1.00 . A A . 2 ARG HB3 1 1
9 1057 1 1 2 ARG HD2 H 2.394 3.274 4.609 1.00 . A A . 2 ARG HD2 1 1
9 1058 1 1 2 ARG HD3 H 3.983 3.748 4.005 1.00 . A A . 2 ARG HD3 1 1
9 1059 1 1 2 ARG HE H 2.539 2.000 2.063 1.00 . A A . 2 ARG HE 1 1
9 1060 1 1 2 ARG HG2 H 4.917 1.728 4.408 1.00 . A A . 2 ARG HG2 1 1
9 1061 1 1 2 ARG HG3 H 3.680 0.812 3.606 1.00 . A A . 2 ARG HG3 1 1
9 1062 1 1 2 ARG HH11 H 1.257 4.530 0.193 1.00 . A A . 2 ARG HH11 1 1
9 1063 1 1 2 ARG HH12 H 1.623 2.754 0.360 1.00 . A A . 2 ARG HH12 1 1
9 1064 1 1 2 ARG HH21 H 1.788 5.912 1.721 1.00 . A A . 2 ARG HH21 1 1
9 1065 1 1 2 ARG HH22 H 2.612 5.275 3.224 1.00 . A A . 2 ARG HH22 1 1
9 1066 1 1 2 ARG N N 2.454 -1.185 6.133 1.00 . A A . 2 ARG N 1 1
9 1067 1 1 2 ARG NE N 2.661 2.901 2.533 1.00 . A A . 2 ARG NE 1 1
9 1068 1 1 2 ARG NH1 N 1.634 3.719 0.689 1.00 . A A . 2 ARG NH1 1 1
9 1069 1 1 2 ARG NH2 N 2.186 5.171 2.301 1.00 . A A . 2 ARG NH2 1 1
9 1070 1 1 2 ARG O O 0.206 1.323 4.661 1.00 . A A . 2 ARG O 1 1
9 1071 1 1 3 ALA C C -0.904 -1.686 2.243 1.00 . A A . 3 ALA C 1 1
9 1072 1 1 3 ALA CA C 0.058 -0.460 2.464 1.00 . A A . 3 ALA CA 1 1
9 1073 1 1 3 ALA CB C 0.935 -0.191 1.208 1.00 . A A . 3 ALA CB 1 1
9 1074 1 1 3 ALA H H 1.662 -1.282 3.767 1.00 . A A . 3 ALA H 1 1
9 1075 1 1 3 ALA HA H -0.627 0.404 2.574 1.00 . A A . 3 ALA HA 1 1
9 1076 1 1 3 ALA HB1 H 0.955 -1.047 0.508 1.00 . A A . 3 ALA HB1 1 1
9 1077 1 1 3 ALA HB2 H 0.538 0.663 0.633 1.00 . A A . 3 ALA HB2 1 1
9 1078 1 1 3 ALA HB3 H 1.998 0.033 1.419 1.00 . A A . 3 ALA HB3 1 1
9 1079 1 1 3 ALA N N 0.993 -0.520 3.632 1.00 . A A . 3 ALA N 1 1
9 1080 1 1 3 ALA O O -1.653 -1.683 1.262 1.00 . A A . 3 ALA O 1 1
9 1081 1 1 4 . C C -1.162 -4.718 1.404 1.00 . A A . 4 DCY C 1 1
9 1082 1 1 4 . CA C -1.535 -4.062 2.782 1.00 . A A . 4 DCY CA 1 1
9 1083 1 1 4 . CB C -1.323 -4.984 4.018 1.00 . A A . 4 DCY CB 1 1
9 1084 1 1 4 . H H -0.360 -2.575 3.945 1.00 . A A . 4 DCY H 1 1
9 1085 1 1 4 . HA H -2.626 -3.873 2.722 1.00 . A A . 4 DCY HA 1 1
9 1086 1 1 4 . HB2 H -0.424 -4.698 4.591 1.00 . A A . 4 DCY HB2 1 1
9 1087 1 1 4 . HB3 H -2.166 -4.888 4.728 1.00 . A A . 4 DCY HB3 1 1
9 1088 1 1 4 . N N -0.871 -2.750 3.074 1.00 . A A . 4 DCY N 1 1
9 1089 1 1 4 . O O -2.066 -5.004 0.617 1.00 . A A . 4 DCY O 1 1
9 1090 1 1 4 . SG S -1.117 -6.726 3.566 1.00 . A A . 4 DCY SG 1 1
9 1091 1 1 5 ARG C C 1.960 -6.230 -0.086 1.00 . A A . 5 ARG C 1 1
9 1092 1 1 5 ARG CA C 0.629 -5.412 -0.216 1.00 . A A . 5 ARG CA 1 1
9 1093 1 1 5 ARG CB C 0.769 -4.237 -1.241 1.00 . A A . 5 ARG CB 1 1
9 1094 1 1 5 ARG CD C -0.753 -2.315 -2.088 1.00 . A A . 5 ARG CD 1 1
9 1095 1 1 5 ARG CG C -0.515 -3.838 -2.016 1.00 . A A . 5 ARG CG 1 1
9 1096 1 1 5 ARG CZ C -3.254 -2.036 -2.171 1.00 . A A . 5 ARG CZ 1 1
9 1097 1 1 5 ARG H H 0.754 -4.793 1.915 1.00 . A A . 5 ARG H 1 1
9 1098 1 1 5 ARG HA H -0.106 -6.138 -0.619 1.00 . A A . 5 ARG HA 1 1
9 1099 1 1 5 ARG HB2 H 1.220 -3.363 -0.731 1.00 . A A . 5 ARG HB2 1 1
9 1100 1 1 5 ARG HB3 H 1.524 -4.502 -2.008 1.00 . A A . 5 ARG HB3 1 1
9 1101 1 1 5 ARG HD2 H -0.692 -1.854 -1.082 1.00 . A A . 5 ARG HD2 1 1
9 1102 1 1 5 ARG HD3 H 0.076 -1.843 -2.654 1.00 . A A . 5 ARG HD3 1 1
9 1103 1 1 5 ARG HE H -2.078 -1.732 -3.741 1.00 . A A . 5 ARG HE 1 1
9 1104 1 1 5 ARG HG2 H -0.474 -4.260 -3.040 1.00 . A A . 5 ARG HG2 1 1
9 1105 1 1 5 ARG HG3 H -1.401 -4.327 -1.574 1.00 . A A . 5 ARG HG3 1 1
9 1106 1 1 5 ARG HH11 H -5.206 -1.797 -2.433 1.00 . A A . 5 ARG HH11 1 1
9 1107 1 1 5 ARG HH12 H -4.133 -1.500 -3.873 1.00 . A A . 5 ARG HH12 1 1
9 1108 1 1 5 ARG HH21 H -4.408 -2.377 -0.560 1.00 . A A . 5 ARG HH21 1 1
9 1109 1 1 5 ARG HH22 H -2.598 -2.506 -0.361 1.00 . A A . 5 ARG HH22 1 1
9 1110 1 1 5 ARG N N 0.140 -4.904 1.105 1.00 . A A . 5 ARG N 1 1
9 1111 1 1 5 ARG NE N -2.049 -1.989 -2.751 1.00 . A A . 5 ARG NE 1 1
9 1112 1 1 5 ARG NH1 N -4.296 -1.752 -2.897 1.00 . A A . 5 ARG NH1 1 1
9 1113 1 1 5 ARG NH2 N -3.452 -2.351 -0.914 1.00 . A A . 5 ARG NH2 1 1
9 1114 1 1 5 ARG O O 2.014 -7.370 -0.551 1.00 . A A . 5 ARG O 1 1
9 1115 1 1 6 NAL C1 C 5.450 -2.663 0.317 1.00 . A A . 6 NAL C1 1 1
9 1116 1 1 6 NAL C2 C 5.078 -3.726 -0.510 1.00 . A A . 6 NAL C2 1 1
9 1117 1 1 6 NAL C3 C 4.288 -3.483 -1.637 1.00 . A A . 6 NAL C3 1 1
9 1118 1 1 6 NAL C4 C 3.821 -2.206 -1.922 1.00 . A A . 6 NAL C4 1 1
9 1119 1 1 6 NAL C4A C 4.167 -1.136 -1.100 1.00 . A A . 6 NAL C4A 1 1
9 1120 1 1 6 NAL C5 C 3.726 0.160 -1.377 1.00 . A A . 6 NAL C5 1 1
9 1121 1 1 6 NAL C6 C 4.126 1.221 -0.571 1.00 . A A . 6 NAL C6 1 1
9 1122 1 1 6 NAL C7 C 4.959 1.005 0.520 1.00 . A A . 6 NAL C7 1 1
9 1123 1 1 6 NAL C8 C 5.406 -0.277 0.824 1.00 . A A . 6 NAL C8 1 1
9 1124 1 1 6 NAL C8A C 5.017 -1.363 0.037 1.00 . A A . 6 NAL C8A 1 1
9 1125 1 1 6 NAL C9 C 5.483 -5.185 -0.178 1.00 . A A . 6 NAL C9 1 1
9 1126 1 1 6 NAL H1 H 6.080 -2.855 1.176 1.00 . A A . 6 NAL H1 1 1
9 1127 1 1 6 NAL H3 H 4.003 -4.303 -2.282 1.00 . A A . 6 NAL H3 1 1
9 1128 1 1 6 NAL H4 H 3.195 -2.064 -2.792 1.00 . A A . 6 NAL H4 1 1
9 1129 1 1 6 NAL H5 H 3.093 0.360 -2.232 1.00 . A A . 6 NAL H5 1 1
9 1130 1 1 6 NAL H6 H 3.812 2.227 -0.817 1.00 . A A . 6 NAL H6 1 1
9 1131 1 1 6 NAL H7 H 5.285 1.842 1.122 1.00 . A A . 6 NAL H7 1 1
9 1132 1 1 6 NAL H8 H 6.077 -0.409 1.663 1.00 . A A . 6 NAL H8 1 1
9 1133 1 1 6 NAL H91 H 6.382 -5.165 0.468 1.00 . A A . 6 NAL H91 1 1
9 1134 1 1 6 NAL H92 H 5.894 -5.628 -1.105 1.00 . A A . 6 NAL H92 1 1
9 1135 1 1 6 NAL N N 3.036 -5.645 0.481 1.00 . A A . 6 NAL N 1 1
9 1136 1 1 7 HIS C C 4.411 -7.622 4.782 1.00 . A A . 7 HIS C 1 1
9 1137 1 1 7 HIS CA C 5.406 -6.556 4.196 1.00 . A A . 7 HIS CA 1 1
9 1138 1 1 7 HIS CB C 5.652 -5.358 5.196 1.00 . A A . 7 HIS CB 1 1
9 1139 1 1 7 HIS CD2 C 6.517 -2.892 4.904 1.00 . A A . 7 HIS CD2 1 1
9 1140 1 1 7 HIS CE1 C 4.885 -2.084 3.868 1.00 . A A . 7 HIS CE1 1 1
9 1141 1 1 7 HIS CG C 5.536 -3.886 4.750 1.00 . A A . 7 HIS CG 1 1
9 1142 1 1 7 HIS H H 5.077 -5.084 2.584 1.00 . A A . 7 HIS H 1 1
9 1143 1 1 7 HIS HA H 6.373 -7.094 4.117 1.00 . A A . 7 HIS HA 1 1
9 1144 1 1 7 HIS HB2 H 4.990 -5.456 6.077 1.00 . A A . 7 HIS HB2 1 1
9 1145 1 1 7 HIS HB3 H 6.654 -5.505 5.643 1.00 . A A . 7 HIS HB3 1 1
9 1146 1 1 7 HIS HD1 H 3.597 -3.829 3.755 1.00 . A A . 7 HIS HD1 1 1
9 1147 1 1 7 HIS HD2 H 7.474 -3.041 5.383 1.00 . A A . 7 HIS HD2 1 1
9 1148 1 1 7 HIS HE1 H 4.296 -1.402 3.273 1.00 . A A . 7 HIS HE1 1 1
9 1149 1 1 7 HIS N N 5.090 -6.084 2.807 1.00 . A A . 7 HIS N 1 1
9 1150 1 1 7 HIS ND1 N 4.434 -3.350 4.103 1.00 . A A . 7 HIS ND1 1 1
9 1151 1 1 7 HIS NE2 N 6.111 -1.693 4.330 1.00 . A A . 7 HIS NE2 1 1
9 1152 1 1 7 HIS O O 4.809 -8.747 5.089 1.00 . A A . 7 HIS O 1 1
9 1153 1 1 8 . C C 1.558 -8.502 3.448 1.00 . A A . 8 LE1 C 1 1
9 1154 1 1 8 . C8 C 0.855 -6.482 6.573 1.00 . A A . 8 LE1 C8 1 1
9 1155 1 1 8 . C9 C 0.718 -8.888 7.072 1.00 . A A . 8 LE1 C9 1 1
9 1156 1 1 8 . CA C 1.989 -8.257 4.921 1.00 . A A . 8 LE1 CA 1 1
9 1157 1 1 8 . CB C 0.798 -7.875 5.907 1.00 . A A . 8 LE1 CB 1 1
9 1158 1 1 8 . H8 H -0.074 -6.240 7.124 1.00 . A A . 8 LE1 H8 1 1
9 1159 1 1 8 . H8A H 1.696 -6.397 7.287 1.00 . A A . 8 LE1 H8A 1 1
9 1160 1 1 8 . H8B H 1.003 -5.693 5.819 1.00 . A A . 8 LE1 H8B 1 1
9 1161 1 1 8 . H9 H 0.580 -9.923 6.708 1.00 . A A . 8 LE1 H9 1 1
9 1162 1 1 8 . H9A H 1.635 -8.883 7.693 1.00 . A A . 8 LE1 H9A 1 1
9 1163 1 1 8 . H9B H -0.132 -8.681 7.750 1.00 . A A . 8 LE1 H9B 1 1
9 1164 1 1 8 . HA H 2.401 -9.230 5.259 1.00 . A A . 8 LE1 HA 1 1
9 1165 1 1 8 . HN H 2.952 -6.312 4.556 1.00 . A A . 8 LE1 HN 1 1
9 1166 1 1 8 . HXT H 1.389 -9.886 2.165 1.00 . A A . 8 LE1 HXT 1 1
9 1167 1 1 8 . N N 3.116 -7.270 4.876 1.00 . A A . 8 LE1 N 1 1
9 1168 1 1 8 . O O 1.301 -7.608 2.643 1.00 . A A . 8 LE1 O 1 1
9 1169 1 1 8 . OXT O 1.557 -9.822 3.107 1.00 . A A . 8 LE1 OXT 1 1
9 1170 1 1 8 . SG S -0.866 -7.938 5.155 1.00 . A A . 8 LE1 SG 1 1
10 1171 1 1 1 ACE C C 1.792 -1.974 6.897 1.00 . A A . 1 ACE C 1 1
10 1172 1 1 1 ACE CH3 C 2.372 -3.369 7.047 1.00 . A A . 1 ACE CH3 1 1
10 1173 1 1 1 ACE H1 H 2.126 -3.782 8.042 1.00 . A A . 1 ACE H1 1 1
10 1174 1 1 1 ACE H2 H 1.941 -4.049 6.292 1.00 . A A . 1 ACE H2 1 1
10 1175 1 1 1 ACE H3 H 3.472 -3.389 6.952 1.00 . A A . 1 ACE H3 1 1
10 1176 1 1 1 ACE O O 0.777 -1.659 7.513 1.00 . A A . 1 ACE O 1 1
10 1177 1 1 2 ARG C C 0.915 0.368 4.612 1.00 . A A . 2 ARG C 1 1
10 1178 1 1 2 ARG CA C 1.969 0.238 5.770 1.00 . A A . 2 ARG CA 1 1
10 1179 1 1 2 ARG CB C 3.204 1.198 5.682 1.00 . A A . 2 ARG CB 1 1
10 1180 1 1 2 ARG CD C 5.168 2.215 4.289 1.00 . A A . 2 ARG CD 1 1
10 1181 1 1 2 ARG CG C 3.758 1.580 4.281 1.00 . A A . 2 ARG CG 1 1
10 1182 1 1 2 ARG CZ C 6.174 4.420 3.636 1.00 . A A . 2 ARG CZ 1 1
10 1183 1 1 2 ARG H H 3.301 -1.561 5.687 1.00 . A A . 2 ARG H 1 1
10 1184 1 1 2 ARG HA H 1.417 0.588 6.666 1.00 . A A . 2 ARG HA 1 1
10 1185 1 1 2 ARG HB2 H 2.940 2.141 6.198 1.00 . A A . 2 ARG HB2 1 1
10 1186 1 1 2 ARG HB3 H 4.025 0.792 6.308 1.00 . A A . 2 ARG HB3 1 1
10 1187 1 1 2 ARG HD2 H 5.669 2.063 5.268 1.00 . A A . 2 ARG HD2 1 1
10 1188 1 1 2 ARG HD3 H 5.797 1.665 3.560 1.00 . A A . 2 ARG HD3 1 1
10 1189 1 1 2 ARG HE H 4.229 4.172 3.957 1.00 . A A . 2 ARG HE 1 1
10 1190 1 1 2 ARG HG2 H 3.794 0.679 3.648 1.00 . A A . 2 ARG HG2 1 1
10 1191 1 1 2 ARG HG3 H 3.018 2.217 3.754 1.00 . A A . 2 ARG HG3 1 1
10 1192 1 1 2 ARG HH11 H 6.797 6.233 3.115 1.00 . A A . 2 ARG HH11 1 1
10 1193 1 1 2 ARG HH12 H 5.013 6.014 3.387 1.00 . A A . 2 ARG HH12 1 1
10 1194 1 1 2 ARG HH21 H 8.157 4.613 3.351 1.00 . A A . 2 ARG HH21 1 1
10 1195 1 1 2 ARG HH22 H 7.498 2.982 3.850 1.00 . A A . 2 ARG HH22 1 1
10 1196 1 1 2 ARG N N 2.432 -1.160 6.053 1.00 . A A . 2 ARG N 1 1
10 1197 1 1 2 ARG NE N 5.119 3.666 3.953 1.00 . A A . 2 ARG NE 1 1
10 1198 1 1 2 ARG NH1 N 5.976 5.675 3.351 1.00 . A A . 2 ARG NH1 1 1
10 1199 1 1 2 ARG NH2 N 7.404 3.967 3.598 1.00 . A A . 2 ARG NH2 1 1
10 1200 1 1 2 ARG O O -0.028 1.151 4.734 1.00 . A A . 2 ARG O 1 1
10 1201 1 1 3 ALA C C -0.785 -1.613 2.156 1.00 . A A . 3 ALA C 1 1
10 1202 1 1 3 ALA CA C 0.140 -0.357 2.343 1.00 . A A . 3 ALA CA 1 1
10 1203 1 1 3 ALA CB C 1.038 -0.133 1.107 1.00 . A A . 3 ALA CB 1 1
10 1204 1 1 3 ALA H H 1.881 -1.009 3.547 1.00 . A A . 3 ALA H 1 1
10 1205 1 1 3 ALA HA H -0.547 0.511 2.410 1.00 . A A . 3 ALA HA 1 1
10 1206 1 1 3 ALA HB1 H 1.674 0.768 1.205 1.00 . A A . 3 ALA HB1 1 1
10 1207 1 1 3 ALA HB2 H 1.709 -0.990 0.907 1.00 . A A . 3 ALA HB2 1 1
10 1208 1 1 3 ALA HB3 H 0.432 0.022 0.196 1.00 . A A . 3 ALA HB3 1 1
10 1209 1 1 3 ALA N N 1.087 -0.367 3.495 1.00 . A A . 3 ALA N 1 1
10 1210 1 1 3 ALA O O -1.535 -1.655 1.175 1.00 . A A . 3 ALA O 1 1
10 1211 1 1 4 . C C -1.179 -4.771 1.601 1.00 . A A . 4 DCY C 1 1
10 1212 1 1 4 . CA C -1.519 -3.902 2.869 1.00 . A A . 4 DCY CA 1 1
10 1213 1 1 4 . CB C -1.425 -4.696 4.195 1.00 . A A . 4 DCY CB 1 1
10 1214 1 1 4 . H H -0.218 -2.422 3.894 1.00 . A A . 4 DCY H 1 1
10 1215 1 1 4 . HA H -2.582 -3.609 2.754 1.00 . A A . 4 DCY HA 1 1
10 1216 1 1 4 . HB2 H -1.488 -4.052 5.094 1.00 . A A . 4 DCY HB2 1 1
10 1217 1 1 4 . HB3 H -2.288 -5.385 4.270 1.00 . A A . 4 DCY HB3 1 1
10 1218 1 1 4 . N N -0.736 -2.639 3.036 1.00 . A A . 4 DCY N 1 1
10 1219 1 1 4 . O O -2.089 -5.265 0.934 1.00 . A A . 4 DCY O 1 1
10 1220 1 1 4 . SG S 0.072 -5.701 4.251 1.00 . A A . 4 DCY SG 1 1
10 1221 1 1 5 ARG C C 1.905 -6.225 -0.003 1.00 . A A . 5 ARG C 1 1
10 1222 1 1 5 ARG CA C 0.575 -5.396 -0.084 1.00 . A A . 5 ARG CA 1 1
10 1223 1 1 5 ARG CB C 0.716 -4.183 -1.060 1.00 . A A . 5 ARG CB 1 1
10 1224 1 1 5 ARG CD C -0.436 -2.227 -2.254 1.00 . A A . 5 ARG CD 1 1
10 1225 1 1 5 ARG CG C -0.596 -3.649 -1.684 1.00 . A A . 5 ARG CG 1 1
10 1226 1 1 5 ARG CZ C -1.855 -1.968 -4.314 1.00 . A A . 5 ARG CZ 1 1
10 1227 1 1 5 ARG H H 0.737 -4.421 1.906 1.00 . A A . 5 ARG H 1 1
10 1228 1 1 5 ARG HA H -0.178 -6.097 -0.502 1.00 . A A . 5 ARG HA 1 1
10 1229 1 1 5 ARG HB2 H 1.254 -3.364 -0.540 1.00 . A A . 5 ARG HB2 1 1
10 1230 1 1 5 ARG HB3 H 1.386 -4.458 -1.898 1.00 . A A . 5 ARG HB3 1 1
10 1231 1 1 5 ARG HD2 H -0.285 -1.527 -1.408 1.00 . A A . 5 ARG HD2 1 1
10 1232 1 1 5 ARG HD3 H 0.488 -2.122 -2.857 1.00 . A A . 5 ARG HD3 1 1
10 1233 1 1 5 ARG HE H -2.436 -1.364 -2.510 1.00 . A A . 5 ARG HE 1 1
10 1234 1 1 5 ARG HG2 H -0.943 -4.356 -2.462 1.00 . A A . 5 ARG HG2 1 1
10 1235 1 1 5 ARG HG3 H -1.409 -3.633 -0.932 1.00 . A A . 5 ARG HG3 1 1
10 1236 1 1 5 ARG HH11 H -3.101 -1.664 -5.831 1.00 . A A . 5 ARG HH11 1 1
10 1237 1 1 5 ARG HH12 H -3.627 -1.083 -4.189 1.00 . A A . 5 ARG HH12 1 1
10 1238 1 1 5 ARG HH21 H -1.223 -2.639 -6.104 1.00 . A A . 5 ARG HH21 1 1
10 1239 1 1 5 ARG HH22 H -0.159 -2.896 -4.637 1.00 . A A . 5 ARG HH22 1 1
10 1240 1 1 5 ARG N N 0.116 -4.898 1.248 1.00 . A A . 5 ARG N 1 1
10 1241 1 1 5 ARG NE N -1.655 -1.809 -3.003 1.00 . A A . 5 ARG NE 1 1
10 1242 1 1 5 ARG NH1 N -2.967 -1.529 -4.827 1.00 . A A . 5 ARG NH1 1 1
10 1243 1 1 5 ARG NH2 N -0.993 -2.549 -5.113 1.00 . A A . 5 ARG NH2 1 1
10 1244 1 1 5 ARG O O 1.943 -7.356 -0.490 1.00 . A A . 5 ARG O 1 1
10 1245 1 1 6 NAL C1 C 5.485 -2.707 0.292 1.00 . A A . 6 NAL C1 1 1
10 1246 1 1 6 NAL C2 C 5.060 -3.763 -0.518 1.00 . A A . 6 NAL C2 1 1
10 1247 1 1 6 NAL C3 C 4.246 -3.504 -1.624 1.00 . A A . 6 NAL C3 1 1
10 1248 1 1 6 NAL C4 C 3.810 -2.216 -1.905 1.00 . A A . 6 NAL C4 1 1
10 1249 1 1 6 NAL C4A C 4.204 -1.152 -1.098 1.00 . A A . 6 NAL C4A 1 1
10 1250 1 1 6 NAL C5 C 3.773 0.151 -1.357 1.00 . A A . 6 NAL C5 1 1
10 1251 1 1 6 NAL C6 C 4.201 1.202 -0.552 1.00 . A A . 6 NAL C6 1 1
10 1252 1 1 6 NAL C7 C 5.065 0.971 0.513 1.00 . A A . 6 NAL C7 1 1
10 1253 1 1 6 NAL C8 C 5.511 -0.318 0.793 1.00 . A A . 6 NAL C8 1 1
10 1254 1 1 6 NAL C8A C 5.080 -1.396 0.016 1.00 . A A . 6 NAL C8A 1 1
10 1255 1 1 6 NAL C9 C 5.441 -5.229 -0.197 1.00 . A A . 6 NAL C9 1 1
10 1256 1 1 6 NAL H1 H 6.131 -2.912 1.136 1.00 . A A . 6 NAL H1 1 1
10 1257 1 1 6 NAL H3 H 3.922 -4.318 -2.257 1.00 . A A . 6 NAL H3 1 1
10 1258 1 1 6 NAL H4 H 3.165 -2.058 -2.759 1.00 . A A . 6 NAL H4 1 1
10 1259 1 1 6 NAL H5 H 3.111 0.365 -2.185 1.00 . A A . 6 NAL H5 1 1
10 1260 1 1 6 NAL H6 H 3.865 2.208 -0.763 1.00 . A A . 6 NAL H6 1 1
10 1261 1 1 6 NAL H7 H 5.403 1.802 1.114 1.00 . A A . 6 NAL H7 1 1
10 1262 1 1 6 NAL H8 H 6.200 -0.464 1.614 1.00 . A A . 6 NAL H8 1 1
10 1263 1 1 6 NAL H91 H 6.367 -5.230 0.411 1.00 . A A . 6 NAL H91 1 1
10 1264 1 1 6 NAL H92 H 5.799 -5.686 -1.139 1.00 . A A . 6 NAL H92 1 1
10 1265 1 1 6 NAL N N 3.000 -5.646 0.534 1.00 . A A . 6 NAL N 1 1
10 1266 1 1 7 HIS C C 4.406 -7.609 4.818 1.00 . A A . 7 HIS C 1 1
10 1267 1 1 7 HIS CA C 5.323 -6.474 4.242 1.00 . A A . 7 HIS CA 1 1
10 1268 1 1 7 HIS CB C 5.417 -5.279 5.264 1.00 . A A . 7 HIS CB 1 1
10 1269 1 1 7 HIS CD2 C 6.479 -2.883 4.958 1.00 . A A . 7 HIS CD2 1 1
10 1270 1 1 7 HIS CE1 C 4.940 -2.013 3.837 1.00 . A A . 7 HIS CE1 1 1
10 1271 1 1 7 HIS CG C 5.447 -3.820 4.781 1.00 . A A . 7 HIS CG 1 1
10 1272 1 1 7 HIS H H 4.958 -5.033 2.607 1.00 . A A . 7 HIS H 1 1
10 1273 1 1 7 HIS HA H 6.337 -6.921 4.191 1.00 . A A . 7 HIS HA 1 1
10 1274 1 1 7 HIS HB2 H 4.578 -5.330 5.984 1.00 . A A . 7 HIS HB2 1 1
10 1275 1 1 7 HIS HB3 H 6.298 -5.457 5.910 1.00 . A A . 7 HIS HB3 1 1
10 1276 1 1 7 HIS HD1 H 3.537 -3.671 3.750 1.00 . A A . 7 HIS HD1 1 1
10 1277 1 1 7 HIS HD2 H 7.401 -3.076 5.488 1.00 . A A . 7 HIS HD2 1 1
10 1278 1 1 7 HIS HE1 H 4.417 -1.331 3.186 1.00 . A A . 7 HIS HE1 1 1
10 1279 1 1 7 HIS N N 5.009 -6.028 2.843 1.00 . A A . 7 HIS N 1 1
10 1280 1 1 7 HIS ND1 N 4.407 -3.241 4.082 1.00 . A A . 7 HIS ND1 1 1
10 1281 1 1 7 HIS NE2 N 6.168 -1.677 4.340 1.00 . A A . 7 HIS NE2 1 1
10 1282 1 1 7 HIS O O 4.918 -8.596 5.351 1.00 . A A . 7 HIS O 1 1
10 1283 1 1 8 . C C 1.743 -9.015 3.335 1.00 . A A . 8 LE1 C 1 1
10 1284 1 1 8 . C8 C 1.110 -7.524 6.988 1.00 . A A . 8 LE1 C8 1 1
10 1285 1 1 8 . C9 C 0.269 -9.721 6.185 1.00 . A A . 8 LE1 C9 1 1
10 1286 1 1 8 . CA C 2.127 -8.625 4.796 1.00 . A A . 8 LE1 CA 1 1
10 1287 1 1 8 . CB C 0.869 -8.374 5.717 1.00 . A A . 8 LE1 CB 1 1
10 1288 1 1 8 . H8 H 1.896 -7.960 7.633 1.00 . A A . 8 LE1 H8 1 1
10 1289 1 1 8 . H8A H 1.434 -6.499 6.734 1.00 . A A . 8 LE1 H8A 1 1
10 1290 1 1 8 . H8B H 0.196 -7.419 7.602 1.00 . A A . 8 LE1 H8B 1 1
10 1291 1 1 8 . H9 H 0.971 -10.289 6.826 1.00 . A A . 8 LE1 H9 1 1
10 1292 1 1 8 . H9A H -0.660 -9.581 6.768 1.00 . A A . 8 LE1 H9A 1 1
10 1293 1 1 8 . H9B H 0.009 -10.377 5.334 1.00 . A A . 8 LE1 H9B 1 1
10 1294 1 1 8 . HA H 2.668 -9.493 5.227 1.00 . A A . 8 LE1 HA 1 1
10 1295 1 1 8 . HN H 2.820 -6.647 4.133 1.00 . A A . 8 LE1 HN 1 1
10 1296 1 1 8 . HXT H 1.850 -10.437 2.098 1.00 . A A . 8 LE1 HXT 1 1
10 1297 1 1 8 . N N 3.070 -7.471 4.685 1.00 . A A . 8 LE1 N 1 1
10 1298 1 1 8 . O O 1.216 -8.248 2.528 1.00 . A A . 8 LE1 O 1 1
10 1299 1 1 8 . OXT O 2.066 -10.300 3.022 1.00 . A A . 8 LE1 OXT 1 1
10 1300 1 1 8 . SG S -0.435 -7.569 4.752 1.00 . A A . 8 LE1 SG 1 1
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