NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
585896 |
2muz   |
25236 | cing | 3-converted-DOCR | STAR | entry | full |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2muz
# This DOCR archive file contains, for PDB entry <2muz>:
#
# - 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, minor 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_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_2muz
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2muz"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 2muz"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2muz "Master copy" rr_2muz
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2muz
_Assembly.ID 1
_Assembly.Name 2muz
_Assembly.Number_of_components 4
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 11813.265212
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 "designed rocker protein" 1 $designed_rocker_protein A . no . . . . . . rr_2muz 1
2 "designed rocker protein" 1 $designed_rocker_protein B . no . . . . . . rr_2muz 1
3 "designed rocker protein" 1 $designed_rocker_protein C . no . . . . . . rr_2muz 1
4 "designed rocker protein" 1 $designed_rocker_protein D . no . . . . . . rr_2muz 1
stop_
save_
save_designed_rocker_protein
_Entity.Sf_category entity
_Entity.Sf_framecode designed_rocker_protein
_Entity.Entry_ID rr_2muz
_Entity.ID 1
_Entity.Name designed_rocker_protein
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A,B,C,D
_Entity.Polymer_seq_one_letter_code
;YYKEIAHALFSALXALSELY
IAVRYX
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 26
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2953.316303
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . TYR . rr_2muz 1
2 . TYR . rr_2muz 1
3 . LYS . rr_2muz 1
4 . GLU . rr_2muz 1
5 . ILE . rr_2muz 1
6 . ALA . rr_2muz 1
7 . HIS . rr_2muz 1
8 . ALA . rr_2muz 1
9 . LEU . rr_2muz 1
10 . PHE . rr_2muz 1
11 . SER . rr_2muz 1
12 . ALA . rr_2muz 1
13 . LEU . rr_2muz 1
14 . . . rr_2muz 1
15 . ALA . rr_2muz 1
16 . LEU . rr_2muz 1
17 . SER . rr_2muz 1
18 . GLU . rr_2muz 1
19 . LEU . rr_2muz 1
20 . TYR . rr_2muz 1
21 . ILE . rr_2muz 1
22 . ALA . rr_2muz 1
23 . VAL . rr_2muz 1
24 . ARG . rr_2muz 1
25 . TYR . rr_2muz 1
26 . NH2 . rr_2muz 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. TYR 1 1 rr_2muz 1
. TYR 2 2 rr_2muz 1
. LYS 3 3 rr_2muz 1
. GLU 4 4 rr_2muz 1
. ILE 5 5 rr_2muz 1
. ALA 6 6 rr_2muz 1
. HIS 7 7 rr_2muz 1
. ALA 8 8 rr_2muz 1
. LEU 9 9 rr_2muz 1
. PHE 10 10 rr_2muz 1
. SER 11 11 rr_2muz 1
. ALA 12 12 rr_2muz 1
. LEU 13 13 rr_2muz 1
. . 14 14 rr_2muz 1
. ALA 15 15 rr_2muz 1
. LEU 16 16 rr_2muz 1
. SER 17 17 rr_2muz 1
. GLU 18 18 rr_2muz 1
. LEU 19 19 rr_2muz 1
. TYR 20 20 rr_2muz 1
. ILE 21 21 rr_2muz 1
. ALA 22 22 rr_2muz 1
. VAL 23 23 rr_2muz 1
. ARG 24 24 rr_2muz 1
. TYR 25 25 rr_2muz 1
. NH2 26 26 rr_2muz 1
stop_
save_
save_chem_comp_PFF
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_PFF
_Chem_comp.Entry_ID rr_2muz
_Chem_comp.ID 1
_Chem_comp.Name Pff
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C9 F N O"
_Chem_comp.Formula_weight 157.103503
save_
save_chem_comp_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NH2
_Chem_comp.Entry_ID rr_2muz
_Chem_comp.ID NH2
_Chem_comp.Name "AMINO GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code NH2
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "H2 N"
_Chem_comp.Formula_weight 16.0225
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2muz
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 1
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_2muz
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . rr_2muz 1
stop_
loop_
_Conformer_family_software.Software_ID
_Conformer_family_software.Software_label
_Conformer_family_software.Method_ID
_Conformer_family_software.Method_label
_Conformer_family_software.Entry_ID
_Conformer_family_software.Conformer_family_coord_set_ID
. . . . rr_2muz 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_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.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_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.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 TYR C C -11.984 -0.708 10.579 . . . 1.0 . . . . . . . . . . . . A . 1 TYR C . . . . . . . . . rr_2muz 1
. 1 . 2 . 1 1 1 TYR CA C -13.016 -1.044 11.608 . . . 1.0 . . . . . . . . . . . . A . 1 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 3 . 1 1 1 TYR N N -12.456 -2.079 12.450 . . . 1.0 . . . . . . . . . . . . A . 1 TYR N . . . . . . . . . rr_2muz 1
. 1 . 4 . 1 1 1 TYR O O -12.298 -0.357 9.455 . . . 1.0 . . . . . . . . . . . . A . 1 TYR O . . . . . . . . . rr_2muz 1
. 1 . 5 . 1 1 2 TYR C C -9.522 -1.455 8.857 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . rr_2muz 1
. 1 . 6 . 1 1 2 TYR CA C -9.779 -0.458 9.902 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 7 . 1 1 2 TYR N N -10.726 -0.904 10.867 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . rr_2muz 1
. 1 . 8 . 1 1 2 TYR O O -9.694 -1.176 7.677 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . rr_2muz 1
. 1 . 9 . 1 1 3 LYS C C -9.458 -3.664 7.104 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . rr_2muz 1
. 1 . 10 . 1 1 3 LYS CA C -8.664 -3.633 8.358 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . rr_2muz 1
. 1 . 11 . 1 1 3 LYS N N -9.140 -2.637 9.275 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . rr_2muz 1
. 1 . 12 . 1 1 3 LYS O O -8.920 -3.687 6.033 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . rr_2muz 1
. 1 . 13 . 1 1 4 GLU C C -11.404 -2.334 5.297 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_2muz 1
. 1 . 14 . 1 1 4 GLU CA C -11.625 -3.499 6.156 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_2muz 1
. 1 . 15 . 1 1 4 GLU N N -10.736 -3.455 7.261 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_2muz 1
. 1 . 16 . 1 1 4 GLU O O -11.451 -2.443 4.092 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_2muz 1
. 1 . 17 . 1 1 5 ILE C C -9.768 -0.233 4.314 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . rr_2muz 1
. 1 . 18 . 1 1 5 ILE CA C -10.990 0.002 5.151 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . rr_2muz 1
. 1 . 19 . 1 1 5 ILE N N -11.196 -1.204 5.907 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . rr_2muz 1
. 1 . 20 . 1 1 5 ILE O O -9.791 -0.037 3.113 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . rr_2muz 1
. 1 . 21 . 1 1 6 ALA C C -7.618 -1.733 3.073 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2muz 1
. 1 . 22 . 1 1 6 ALA CA C -7.435 -0.890 4.305 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 23 . 1 1 6 ALA N N -8.710 -0.690 4.960 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2muz 1
. 1 . 24 . 1 1 6 ALA O O -7.247 -1.350 1.968 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2muz 1
. 1 . 25 . 1 1 7 HIS C C -9.216 -3.146 1.051 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2muz 1
. 1 . 26 . 1 1 7 HIS CA C -8.471 -3.799 2.180 . . . 0.5 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2muz 1
. 1 . 27 . 1 1 7 HIS N N -8.227 -2.885 3.274 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2muz 1
. 1 . 28 . 1 1 7 HIS O O -8.721 -3.071 -0.070 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2muz 1
. 1 . 29 . 1 1 8 ALA C C -10.434 -1.032 -0.426 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2muz 1
. 1 . 30 . 1 1 8 ALA CA C -11.230 -2.043 0.370 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 31 . 1 1 8 ALA N N -10.403 -2.670 1.361 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2muz 1
. 1 . 32 . 1 1 8 ALA O O -10.581 -0.935 -1.631 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2muz 1
. 1 . 33 . 1 1 9 LEU C C -7.839 0.053 -1.380 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_2muz 1
. 1 . 34 . 1 1 9 LEU CA C -8.767 0.708 -0.411 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 35 . 1 1 9 LEU N N -9.556 -0.310 0.246 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_2muz 1
. 1 . 36 . 1 1 9 LEU O O -7.716 0.491 -2.504 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_2muz 1
. 1 . 37 . 1 1 10 PHE C C -6.960 -2.061 -3.057 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2muz 1
. 1 . 38 . 1 1 10 PHE CA C -6.246 -1.704 -1.779 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2muz 1
. 1 . 39 . 1 1 10 PHE N N -7.180 -1.003 -0.929 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2muz 1
. 1 . 40 . 1 1 10 PHE O O -6.571 -1.627 -4.139 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2muz 1
. 1 . 41 . 1 1 11 SER C C -9.191 -2.157 -4.960 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_2muz 1
. 1 . 42 . 1 1 11 SER CA C -8.806 -3.294 -4.050 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_2muz 1
. 1 . 43 . 1 1 11 SER N N -8.039 -2.817 -2.912 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_2muz 1
. 1 . 44 . 1 1 11 SER O O -9.130 -2.259 -6.188 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_2muz 1
. 1 . 45 . 1 1 12 ALA C C -8.879 0.612 -5.920 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_2muz 1
. 1 . 46 . 1 1 12 ALA CA C -10.005 0.112 -5.061 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 47 . 1 1 12 ALA N N -9.571 -1.056 -4.339 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_2muz 1
. 1 . 48 . 1 1 12 ALA O O -9.079 1.012 -7.062 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_2muz 1
. 1 . 49 . 1 1 13 LEU C C -6.202 0.197 -7.226 . . . 1.0 . . . . . . . . . . . . A . 13 LEU C . . . . . . . . . rr_2muz 1
. 1 . 50 . 1 1 13 LEU CA C -6.532 1.080 -6.059 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 51 . 1 1 13 LEU N N -7.683 0.572 -5.367 . . . 1.0 . . . . . . . . . . . . A . 13 LEU N . . . . . . . . . rr_2muz 1
. 1 . 52 . 1 1 13 LEU O O -5.995 0.680 -8.329 . . . 1.0 . . . . . . . . . . . . A . 13 LEU O . . . . . . . . . rr_2muz 1
. 1 . 53 . 1 1 14 . C C -6.859 -1.759 -9.205 . . . 1.0 . . . . . . . . . . . . A . 14 PFF C . . . . . . . . . rr_2muz 1
. 1 . 54 . 1 1 14 . CA C -5.911 -2.028 -8.070 . . . 1.0 . . . . . . . . . . . . A . 14 PFF CA . . . . . . . . . rr_2muz 1
. 1 . 55 . 1 1 14 . CB C -6.064 -3.458 -7.598 . . . 1.0 . . . . . . . . . . . . A . 14 PFF CB . . . . . . . . . rr_2muz 1
. 1 . 56 . 1 1 14 . CD1 C -4.811 -4.875 -9.199 . . . 1.0 . . . . . . . . . . . . A . 14 PFF CD1 . . . . . . . . . rr_2muz 1
. 1 . 57 . 1 1 14 . CD2 C -7.168 -4.965 -9.235 . . . 1.0 . . . . . . . . . . . . A . 14 PFF CD2 . . . . . . . . . rr_2muz 1
. 1 . 58 . 1 1 14 . CE1 C -4.762 -5.783 -10.215 . . . 1.0 . . . . . . . . . . . . A . 14 PFF CE1 . . . . . . . . . rr_2muz 1
. 1 . 59 . 1 1 14 . CE2 C -7.116 -5.871 -10.253 . . . 1.0 . . . . . . . . . . . . A . 14 PFF CE2 . . . . . . . . . rr_2muz 1
. 1 . 60 . 1 1 14 . CG C -6.014 -4.458 -8.693 . . . 1.0 . . . . . . . . . . . . A . 14 PFF CG . . . . . . . . . rr_2muz 1
. 1 . 61 . 1 1 14 . CZ C -5.915 -6.279 -10.737 . . . 1.0 . . . . . . . . . . . . A . 14 PFF CZ . . . . . . . . . rr_2muz 1
. 1 . 62 . 1 1 14 . F F -5.874 -7.008 -11.548 . . . 1.0 . . . . . . . . . . . . A . 14 PFF F . . . . . . . . . rr_2muz 1
. 1 . 63 . 1 1 14 . N N -6.171 -1.103 -6.988 . . . 1.0 . . . . . . . . . . . . A . 14 PFF N . . . . . . . . . rr_2muz 1
. 1 . 64 . 1 1 14 . O O -6.458 -1.697 -10.363 . . . 1.0 . . . . . . . . . . . . A . 14 PFF O . . . . . . . . . rr_2muz 1
. 1 . 65 . 1 1 15 ALA C C -8.910 -0.021 -10.650 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_2muz 1
. 1 . 66 . 1 1 15 ALA CA C -9.119 -1.321 -9.894 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 67 . 1 1 15 ALA N N -8.119 -1.549 -8.867 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_2muz 1
. 1 . 68 . 1 1 15 ALA O O -9.036 0.026 -11.870 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_2muz 1
. 1 . 69 . 1 1 16 LEU C C -7.251 2.278 -11.514 . . . 1.0 . . . . . . . . . . . . A . 16 LEU C . . . . . . . . . rr_2muz 1
. 1 . 70 . 1 1 16 LEU CA C -8.417 2.330 -10.561 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 71 . 1 1 16 LEU N N -8.594 1.040 -9.925 . . . 1.0 . . . . . . . . . . . . A . 16 LEU N . . . . . . . . . rr_2muz 1
. 1 . 72 . 1 1 16 LEU O O -7.336 2.739 -12.641 . . . 1.0 . . . . . . . . . . . . A . 16 LEU O . . . . . . . . . rr_2muz 1
. 1 . 73 . 1 1 17 SER C C -5.259 0.757 -13.083 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_2muz 1
. 1 . 74 . 1 1 17 SER CA C -4.957 1.536 -11.831 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_2muz 1
. 1 . 75 . 1 1 17 SER N N -6.161 1.698 -11.043 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_2muz 1
. 1 . 76 . 1 1 17 SER O O -4.879 1.148 -14.184 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_2muz 1
. 1 . 77 . 1 1 18 GLU C C -7.137 -0.362 -15.035 . . . 1.0 . . . . . . . . . . . . A . 18 GLU C . . . . . . . . . rr_2muz 1
. 1 . 78 . 1 1 18 GLU CA C -6.368 -1.174 -14.013 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CA . . . . . . . . . rr_2muz 1
. 1 . 79 . 1 1 18 GLU N N -5.946 -0.355 -12.901 . . . 1.0 . . . . . . . . . . . . A . 18 GLU N . . . . . . . . . rr_2muz 1
. 1 . 80 . 1 1 18 GLU O O -6.960 -0.523 -16.242 . . . 1.0 . . . . . . . . . . . . A . 18 GLU O . . . . . . . . . rr_2muz 1
. 1 . 81 . 1 1 19 LEU C C -7.832 2.246 -16.252 . . . 1.0 . . . . . . . . . . . . A . 19 LEU C . . . . . . . . . rr_2muz 1
. 1 . 82 . 1 1 19 LEU CA C -8.758 1.349 -15.471 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 83 . 1 1 19 LEU N N -8.000 0.520 -14.558 . . . 1.0 . . . . . . . . . . . . A . 19 LEU N . . . . . . . . . rr_2muz 1
. 1 . 84 . 1 1 19 LEU O O -7.823 2.243 -17.480 . . . 1.0 . . . . . . . . . . . . A . 19 LEU O . . . . . . . . . rr_2muz 1
. 1 . 85 . 1 1 20 TYR C C -5.355 3.343 -17.198 . . . 1.0 . . . . . . . . . . . . A . 20 TYR C . . . . . . . . . rr_2muz 1
. 1 . 86 . 1 1 20 TYR CA C -6.134 3.971 -16.081 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 87 . 1 1 20 TYR N N -7.067 3.029 -15.511 . . . 1.0 . . . . . . . . . . . . A . 20 TYR N . . . . . . . . . rr_2muz 1
. 1 . 88 . 1 1 20 TYR O O -5.335 3.853 -18.317 . . . 1.0 . . . . . . . . . . . . A . 20 TYR O . . . . . . . . . rr_2muz 1
. 1 . 89 . 1 1 21 ILE C C -4.836 1.170 -19.096 . . . 1.0 . . . . . . . . . . . . A . 21 ILE C . . . . . . . . . rr_2muz 1
. 1 . 90 . 1 1 21 ILE CA C -3.942 1.564 -17.935 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CA . . . . . . . . . rr_2muz 1
. 1 . 91 . 1 1 21 ILE N N -4.724 2.216 -16.904 . . . 1.0 . . . . . . . . . . . . A . 21 ILE N . . . . . . . . . rr_2muz 1
. 1 . 92 . 1 1 21 ILE O O -4.494 1.415 -20.252 . . . 1.0 . . . . . . . . . . . . A . 21 ILE O . . . . . . . . . rr_2muz 1
. 1 . 93 . 1 1 22 ALA C C -7.223 1.265 -20.790 . . . 1.0 . . . . . . . . . . . . A . 22 ALA C . . . . . . . . . rr_2muz 1
. 1 . 94 . 1 1 22 ALA CA C -6.901 0.141 -19.822 . . . 1.0 . . . . . . . . . . . . A . 22 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 95 . 1 1 22 ALA N N -5.996 0.602 -18.786 . . . 1.0 . . . . . . . . . . . . A . 22 ALA N . . . . . . . . . rr_2muz 1
. 1 . 96 . 1 1 22 ALA O O -7.503 1.023 -21.958 . . . 1.0 . . . . . . . . . . . . A . 22 ALA O . . . . . . . . . rr_2muz 1
. 1 . 97 . 1 1 23 VAL C C -5.974 3.828 -21.951 . . . 1.0 . . . . . . . . . . . . A . 23 VAL C . . . . . . . . . rr_2muz 1
. 1 . 98 . 1 1 23 VAL CA C -7.278 3.628 -21.214 . . . 1.0 . . . . . . . . . . . . A . 23 VAL CA . . . . . . . . . rr_2muz 1
. 1 . 99 . 1 1 23 VAL N N -7.157 2.499 -20.312 . . . 1.0 . . . . . . . . . . . . A . 23 VAL N . . . . . . . . . rr_2muz 1
. 1 . 100 . 1 1 23 VAL O O -5.941 3.856 -23.171 . . . 1.0 . . . . . . . . . . . . A . 23 VAL O . . . . . . . . . rr_2muz 1
. 1 . 101 . 1 1 24 ARG C C -3.050 3.413 -22.742 . . . 1.0 . . . . . . . . . . . . A . 24 ARG C . . . . . . . . . rr_2muz 1
. 1 . 102 . 1 1 24 ARG CA C -3.649 4.424 -21.796 . . . 1.0 . . . . . . . . . . . . A . 24 ARG CA . . . . . . . . . rr_2muz 1
. 1 . 103 . 1 1 24 ARG N N -4.895 3.975 -21.202 . . . 1.0 . . . . . . . . . . . . A . 24 ARG N . . . . . . . . . rr_2muz 1
. 1 . 104 . 1 1 24 ARG O O -2.559 3.762 -23.806 . . . 1.0 . . . . . . . . . . . . A . 24 ARG O . . . . . . . . . rr_2muz 1
. 1 . 105 . 1 1 25 TYR C C -3.402 -0.029 -23.379 . . . 1.0 . . . . . . . . . . . . A . 25 TYR C . . . . . . . . . rr_2muz 1
. 1 . 106 . 1 1 25 TYR CA C -2.438 1.111 -23.116 . . . 1.0 . . . . . . . . . . . . A . 25 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 107 . 1 1 25 TYR N N -3.089 2.152 -22.347 . . . 1.0 . . . . . . . . . . . . A . 25 TYR N . . . . . . . . . rr_2muz 1
. 1 . 108 . 1 1 25 TYR O O -3.041 -1.195 -23.269 . . . 1.0 . . . . . . . . . . . . A . 25 TYR O . . . . . . . . . rr_2muz 1
. 1 . 109 . 1 1 26 NH2 N N -4.633 0.317 -23.722 . . . 1.0 . . . . . . . . . . . . A . 26 NH2 N . . . . . . . . . rr_2muz 1
. 1 . 110 . 2 1 1 TYR C C -11.076 -0.399 -24.848 . . . 1.0 . . . . . . . . . . . . B . 1 TYR C . . . . . . . . . rr_2muz 1
. 1 . 111 . 2 1 1 TYR CA C -9.760 -0.640 -25.594 . . . 1.0 . . . . . . . . . . . . B . 1 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 112 . 2 1 1 TYR N N -9.736 -1.990 -26.143 . . . 1.0 . . . . . . . . . . . . B . 1 TYR N . . . . . . . . . rr_2muz 1
. 1 . 113 . 2 1 1 TYR O O -11.085 0.171 -23.757 . . . 1.0 . . . . . . . . . . . . B . 1 TYR O . . . . . . . . . rr_2muz 1
. 1 . 114 . 2 1 2 TYR C C -14.188 -1.508 -24.042 . . . 1.0 . . . . . . . . . . . . B . 2 TYR C . . . . . . . . . rr_2muz 1
. 1 . 115 . 2 1 2 TYR CA C -13.531 -0.516 -25.006 . . . 1.0 . . . . . . . . . . . . B . 2 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 116 . 2 1 2 TYR N N -12.173 -0.876 -25.429 . . . 1.0 . . . . . . . . . . . . B . 2 TYR N . . . . . . . . . rr_2muz 1
. 1 . 117 . 2 1 2 TYR O O -14.617 -1.129 -22.946 . . . 1.0 . . . . . . . . . . . . B . 2 TYR O . . . . . . . . . rr_2muz 1
. 1 . 118 . 2 1 3 LYS C C -13.977 -3.806 -22.337 . . . 1.0 . . . . . . . . . . . . B . 3 LYS C . . . . . . . . . rr_2muz 1
. 1 . 119 . 2 1 3 LYS CA C -14.774 -3.848 -23.628 . . . 1.0 . . . . . . . . . . . . B . 3 LYS CA . . . . . . . . . rr_2muz 1
. 1 . 120 . 2 1 3 LYS N N -14.303 -2.762 -24.478 . . . 1.0 . . . . . . . . . . . . B . 3 LYS N . . . . . . . . . rr_2muz 1
. 1 . 121 . 2 1 3 LYS O O -14.536 -3.876 -21.234 . . . 1.0 . . . . . . . . . . . . B . 3 LYS O . . . . . . . . . rr_2muz 1
. 1 . 122 . 2 1 4 GLU C C -12.253 -2.381 -20.482 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_2muz 1
. 1 . 123 . 2 1 4 GLU CA C -11.765 -3.495 -21.381 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_2muz 1
. 1 . 124 . 2 1 4 GLU N N -12.662 -3.664 -22.496 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_2muz 1
. 1 . 125 . 2 1 4 GLU O O -12.592 -2.636 -19.334 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_2muz 1
. 1 . 126 . 2 1 5 ILE C C -13.982 -0.123 -19.436 . . . 1.0 . . . . . . . . . . . . B . 5 ILE C . . . . . . . . . rr_2muz 1
. 1 . 127 . 2 1 5 ILE CA C -12.617 -0.001 -20.100 . . . 1.0 . . . . . . . . . . . . B . 5 ILE CA . . . . . . . . . rr_2muz 1
. 1 . 128 . 2 1 5 ILE N N -12.293 -1.139 -20.975 . . . 1.0 . . . . . . . . . . . . B . 5 ILE N . . . . . . . . . rr_2muz 1
. 1 . 129 . 2 1 5 ILE O O -14.228 0.485 -18.399 . . . 1.0 . . . . . . . . . . . . B . 5 ILE O . . . . . . . . . rr_2muz 1
. 1 . 130 . 2 1 6 ALA C C -15.905 -2.133 -18.206 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_2muz 1
. 1 . 131 . 2 1 6 ALA CA C -16.139 -1.231 -19.417 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 132 . 2 1 6 ALA N N -14.865 -0.907 -20.043 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_2muz 1
. 1 . 133 . 2 1 6 ALA O O -16.407 -1.862 -17.105 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_2muz 1
. 1 . 134 . 2 1 7 HIS C C -14.139 -3.379 -16.173 . . . 1.0 . . . . . . . . . . . . B . 7 HIS C . . . . . . . . . rr_2muz 1
. 1 . 135 . 2 1 7 HIS CA C -14.783 -4.128 -17.342 . . . 1.0 . . . . . . . . . . . . B . 7 HIS CA . . . . . . . . . rr_2muz 1
. 1 . 136 . 2 1 7 HIS N N -15.136 -3.204 -18.418 . . . 1.0 . . . . . . . . . . . . B . 7 HIS N . . . . . . . . . rr_2muz 1
. 1 . 137 . 2 1 7 HIS O O -14.552 -3.526 -15.021 . . . 1.0 . . . . . . . . . . . . B . 7 HIS O . . . . . . . . . rr_2muz 1
. 1 . 138 . 2 1 8 ALA C C -13.276 -0.761 -14.783 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_2muz 1
. 1 . 139 . 2 1 8 ALA CA C -12.400 -1.815 -15.468 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 140 . 2 1 8 ALA N N -13.126 -2.575 -16.482 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_2muz 1
. 1 . 141 . 2 1 8 ALA O O -13.146 -0.527 -13.578 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_2muz 1
. 1 . 142 . 2 1 9 LEU C C -15.965 0.177 -13.950 . . . 1.0 . . . . . . . . . . . . B . 9 LEU C . . . . . . . . . rr_2muz 1
. 1 . 143 . 2 1 9 LEU CA C -15.119 0.837 -15.031 . . . 1.0 . . . . . . . . . . . . B . 9 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 144 . 2 1 9 LEU N N -14.146 -0.121 -15.560 . . . 1.0 . . . . . . . . . . . . B . 9 LEU N . . . . . . . . . rr_2muz 1
. 1 . 145 . 2 1 9 LEU O O -16.039 0.664 -12.818 . . . 1.0 . . . . . . . . . . . . B . 9 LEU O . . . . . . . . . rr_2muz 1
. 1 . 146 . 2 1 10 PHE C C -16.493 -2.059 -12.139 . . . 1.0 . . . . . . . . . . . . B . 10 PHE C . . . . . . . . . rr_2muz 1
. 1 . 147 . 2 1 10 PHE CA C -17.341 -1.764 -13.378 . . . 1.0 . . . . . . . . . . . . B . 10 PHE CA . . . . . . . . . rr_2muz 1
. 1 . 148 . 2 1 10 PHE N N -16.601 -0.932 -14.321 . . . 1.0 . . . . . . . . . . . . B . 10 PHE N . . . . . . . . . rr_2muz 1
. 1 . 149 . 2 1 10 PHE O O -16.903 -1.741 -11.018 . . . 1.0 . . . . . . . . . . . . B . 10 PHE O . . . . . . . . . rr_2muz 1
. 1 . 150 . 2 1 11 SER C C -14.215 -1.907 -10.253 . . . 1.0 . . . . . . . . . . . . B . 11 SER C . . . . . . . . . rr_2muz 1
. 1 . 151 . 2 1 11 SER CA C -14.424 -3.038 -11.258 . . . 1.0 . . . . . . . . . . . . B . 11 SER CA . . . . . . . . . rr_2muz 1
. 1 . 152 . 2 1 11 SER N N -15.321 -2.655 -12.348 . . . 1.0 . . . . . . . . . . . . B . 11 SER N . . . . . . . . . rr_2muz 1
. 1 . 153 . 2 1 11 SER O O -14.440 -2.077 -9.050 . . . 1.0 . . . . . . . . . . . . B . 11 SER O . . . . . . . . . rr_2muz 1
. 1 . 154 . 2 1 12 ALA C C -14.832 0.895 -9.223 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_2muz 1
. 1 . 155 . 2 1 12 ALA CA C -13.565 0.427 -9.933 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 156 . 2 1 12 ALA N N -13.800 -0.750 -10.761 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_2muz 1
. 1 . 157 . 2 1 12 ALA O O -14.773 1.368 -8.090 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_2muz 1
. 1 . 158 . 2 1 13 LEU C C -17.596 0.298 -8.086 . . . 1.0 . . . . . . . . . . . . B . 13 LEU C . . . . . . . . . rr_2muz 1
. 1 . 159 . 2 1 13 LEU CA C -17.248 1.168 -9.300 . . . 1.0 . . . . . . . . . . . . B . 13 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 160 . 2 1 13 LEU N N -15.973 0.777 -9.895 . . . 1.0 . . . . . . . . . . . . B . 13 LEU N . . . . . . . . . rr_2muz 1
. 1 . 161 . 2 1 13 LEU O O -17.831 0.818 -6.990 . . . 1.0 . . . . . . . . . . . . B . 13 LEU O . . . . . . . . . rr_2muz 1
. 1 . 162 . 2 1 14 . C C -16.908 -1.782 -6.054 . . . 1.0 . . . . . . . . . . . . B . 14 PFF C . . . . . . . . . rr_2muz 1
. 1 . 163 . 2 1 14 . CA C -17.909 -1.948 -7.196 . . . 1.0 . . . . . . . . . . . . B . 14 PFF CA . . . . . . . . . rr_2muz 1
. 1 . 164 . 2 1 14 . CB C -17.922 -3.395 -7.692 . . . 1.0 . . . . . . . . . . . . B . 14 PFF CB . . . . . . . . . rr_2muz 1
. 1 . 165 . 2 1 14 . CD1 C -19.250 -4.731 -6.016 . . . 1.0 . . . . . . . . . . . . B . 14 PFF CD1 . . . . . . . . . rr_2muz 1
. 1 . 166 . 2 1 14 . CD2 C -16.888 -5.084 -6.133 . . . 1.0 . . . . . . . . . . . . B . 14 PFF CD2 . . . . . . . . . rr_2muz 1
. 1 . 167 . 2 1 14 . CE1 C -19.348 -5.678 -5.002 . . . 1.0 . . . . . . . . . . . . B . 14 PFF CE1 . . . . . . . . . rr_2muz 1
. 1 . 168 . 2 1 14 . CE2 C -16.975 -6.033 -5.122 . . . 1.0 . . . . . . . . . . . . B . 14 PFF CE2 . . . . . . . . . rr_2muz 1
. 1 . 169 . 2 1 14 . CG C -18.022 -4.421 -6.587 . . . 1.0 . . . . . . . . . . . . B . 14 PFF CG . . . . . . . . . rr_2muz 1
. 1 . 170 . 2 1 14 . CZ C -18.207 -6.329 -4.556 . . . 1.0 . . . . . . . . . . . . B . 14 PFF CZ . . . . . . . . . rr_2muz 1
. 1 . 171 . 2 1 14 . F F -18.279 -7.073 -3.762 . . . 1.0 . . . . . . . . . . . . B . 14 PFF F . . . . . . . . . rr_2muz 1
. 1 . 172 . 2 1 14 . N N -17.613 -1.019 -8.282 . . . 1.0 . . . . . . . . . . . . B . 14 PFF N . . . . . . . . . rr_2muz 1
. 1 . 173 . 2 1 14 . O O -17.296 -1.692 -4.891 . . . 1.0 . . . . . . . . . . . . B . 14 PFF O . . . . . . . . . rr_2muz 1
. 1 . 174 . 2 1 15 ALA C C -14.692 -0.295 -4.559 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_2muz 1
. 1 . 175 . 2 1 15 ALA CA C -14.577 -1.585 -5.378 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 176 . 2 1 15 ALA N N -15.623 -1.723 -6.393 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_2muz 1
. 1 . 177 . 2 1 15 ALA O O -14.654 -0.330 -3.326 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_2muz 1
. 1 . 178 . 2 1 16 LEU C C -16.222 2.158 -3.712 . . . 1.0 . . . . . . . . . . . . B . 16 LEU C . . . . . . . . . rr_2muz 1
. 1 . 179 . 2 1 16 LEU CA C -14.976 2.132 -4.593 . . . 1.0 . . . . . . . . . . . . B . 16 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 180 . 2 1 16 LEU N N -14.810 0.837 -5.249 . . . 1.0 . . . . . . . . . . . . B . 16 LEU N . . . . . . . . . rr_2muz 1
. 1 . 181 . 2 1 16 LEU O O -16.197 2.709 -2.612 . . . 1.0 . . . . . . . . . . . . B . 16 LEU O . . . . . . . . . rr_2muz 1
. 1 . 182 . 2 1 17 SER C C -18.256 0.643 -2.114 . . . 1.0 . . . . . . . . . . . . B . 17 SER C . . . . . . . . . rr_2muz 1
. 1 . 183 . 2 1 17 SER CA C -18.519 1.460 -3.382 . . . 1.0 . . . . . . . . . . . . B . 17 SER CA . . . . . . . . . rr_2muz 1
. 1 . 184 . 2 1 17 SER N N -17.312 1.563 -4.194 . . . 1.0 . . . . . . . . . . . . B . 17 SER N . . . . . . . . . rr_2muz 1
. 1 . 185 . 2 1 17 SER O O -18.645 1.051 -1.021 . . . 1.0 . . . . . . . . . . . . B . 17 SER O . . . . . . . . . rr_2muz 1
. 1 . 186 . 2 1 18 GLU C C -16.376 -0.555 -0.103 . . . 1.0 . . . . . . . . . . . . B . 18 GLU C . . . . . . . . . rr_2muz 1
. 1 . 187 . 2 1 18 GLU CA C -17.201 -1.334 -1.126 . . . 1.0 . . . . . . . . . . . . B . 18 GLU CA . . . . . . . . . rr_2muz 1
. 1 . 188 . 2 1 18 GLU N N -17.579 -0.495 -2.266 . . . 1.0 . . . . . . . . . . . . B . 18 GLU N . . . . . . . . . rr_2muz 1
. 1 . 189 . 2 1 18 GLU O O -16.590 -0.681 1.104 . . . 1.0 . . . . . . . . . . . . B . 18 GLU O . . . . . . . . . rr_2muz 1
. 1 . 190 . 2 1 19 LEU C C -15.462 2.113 1.033 . . . 1.0 . . . . . . . . . . . . B . 19 LEU C . . . . . . . . . rr_2muz 1
. 1 . 191 . 2 1 19 LEU CA C -14.618 1.102 0.265 . . . 1.0 . . . . . . . . . . . . B . 19 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 192 . 2 1 19 LEU N N -15.437 0.250 -0.598 . . . 1.0 . . . . . . . . . . . . B . 19 LEU N . . . . . . . . . rr_2muz 1
. 1 . 193 . 2 1 19 LEU O O -15.391 2.180 2.256 . . . 1.0 . . . . . . . . . . . . B . 19 LEU O . . . . . . . . . rr_2muz 1
. 1 . 194 . 2 1 20 TYR C C -18.010 3.211 2.016 . . . 1.0 . . . . . . . . . . . . B . 20 TYR C . . . . . . . . . rr_2muz 1
. 1 . 195 . 2 1 20 TYR CA C -17.191 3.848 0.890 . . . 1.0 . . . . . . . . . . . . B . 20 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 196 . 2 1 20 TYR N N -16.249 2.898 0.301 . . . 1.0 . . . . . . . . . . . . B . 20 TYR N . . . . . . . . . rr_2muz 1
. 1 . 197 . 2 1 20 TYR O O -17.995 3.677 3.163 . . . 1.0 . . . . . . . . . . . . B . 20 TYR O . . . . . . . . . rr_2muz 1
. 1 . 198 . 2 1 21 ILE C C -18.757 0.988 3.836 . . . 1.0 . . . . . . . . . . . . B . 21 ILE C . . . . . . . . . rr_2muz 1
. 1 . 199 . 2 1 21 ILE CA C -19.553 1.392 2.592 . . . 1.0 . . . . . . . . . . . . B . 21 ILE CA . . . . . . . . . rr_2muz 1
. 1 . 200 . 2 1 21 ILE N N -18.727 2.148 1.661 . . . 1.0 . . . . . . . . . . . . B . 21 ILE N . . . . . . . . . rr_2muz 1
. 1 . 201 . 2 1 21 ILE O O -19.197 1.200 4.968 . . . 1.0 . . . . . . . . . . . . B . 21 ILE O . . . . . . . . . rr_2muz 1
. 1 . 202 . 2 1 22 ALA C C -16.240 1.060 5.623 . . . 1.0 . . . . . . . . . . . . B . 22 ALA C . . . . . . . . . rr_2muz 1
. 1 . 203 . 2 1 22 ALA CA C -16.738 -0.063 4.712 . . . 1.0 . . . . . . . . . . . . B . 22 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 204 . 2 1 22 ALA N N -17.578 0.414 3.617 . . . 1.0 . . . . . . . . . . . . B . 22 ALA N . . . . . . . . . rr_2muz 1
. 1 . 205 . 2 1 22 ALA O O -15.981 0.838 6.808 . . . 1.0 . . . . . . . . . . . . B . 22 ALA O . . . . . . . . . rr_2muz 1
. 1 . 206 . 2 1 23 VAL C C -16.799 3.987 6.674 . . . 1.0 . . . . . . . . . . . . B . 23 VAL C . . . . . . . . . rr_2muz 1
. 1 . 207 . 2 1 23 VAL CA C -15.658 3.419 5.828 . . . 1.0 . . . . . . . . . . . . B . 23 VAL CA . . . . . . . . . rr_2muz 1
. 1 . 208 . 2 1 23 VAL N N -16.095 2.259 5.062 . . . 1.0 . . . . . . . . . . . . B . 23 VAL N . . . . . . . . . rr_2muz 1
. 1 . 209 . 2 1 23 VAL O O -16.597 4.315 7.844 . . . 1.0 . . . . . . . . . . . . B . 23 VAL O . . . . . . . . . rr_2muz 1
. 1 . 210 . 2 1 24 ARG C C -20.047 3.734 7.545 . . . 1.0 . . . . . . . . . . . . B . 24 ARG C . . . . . . . . . rr_2muz 1
. 1 . 211 . 2 1 24 ARG CA C -19.117 4.710 6.808 . . . 1.0 . . . . . . . . . . . . B . 24 ARG CA . . . . . . . . . rr_2muz 1
. 1 . 212 . 2 1 24 ARG N N -17.995 4.088 6.095 . . . 1.0 . . . . . . . . . . . . B . 24 ARG N . . . . . . . . . rr_2muz 1
. 1 . 213 . 2 1 24 ARG O O -20.769 4.139 8.456 . . . 1.0 . . . . . . . . . . . . B . 24 ARG O . . . . . . . . . rr_2muz 1
. 1 . 214 . 2 1 25 TYR C C -20.102 0.406 8.513 . . . 1.0 . . . . . . . . . . . . B . 25 TYR C . . . . . . . . . rr_2muz 1
. 1 . 215 . 2 1 25 TYR CA C -20.912 1.476 7.780 . . . 1.0 . . . . . . . . . . . . B . 25 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 216 . 2 1 25 TYR N N -20.046 2.466 7.146 . . . 1.0 . . . . . . . . . . . . B . 25 TYR N . . . . . . . . . rr_2muz 1
. 1 . 217 . 2 1 25 TYR O O -20.652 -0.597 8.981 . . . 1.0 . . . . . . . . . . . . B . 25 TYR O . . . . . . . . . rr_2muz 1
. 1 . 218 . 2 1 26 NH2 N N -18.795 0.631 8.608 . . . 1.0 . . . . . . . . . . . . B . 26 NH2 N . . . . . . . . . rr_2muz 1
. 1 . 219 . 3 1 1 TYR C C -24.225 -11.116 6.133 . . . 1.0 . . . . . . . . . . . . C . 1 TYR C . . . . . . . . . rr_2muz 1
. 1 . 220 . 3 1 1 TYR CA C -24.168 -10.685 7.564 . . . 1.0 . . . . . . . . . . . . C . 1 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 221 . 3 1 1 TYR N N -25.125 -9.610 7.723 . . . 1.0 . . . . . . . . . . . . C . 1 TYR N . . . . . . . . . rr_2muz 1
. 1 . 222 . 3 1 1 TYR O O -23.237 -11.533 5.555 . . . 1.0 . . . . . . . . . . . . C . 1 TYR O . . . . . . . . . rr_2muz 1
. 1 . 223 . 3 1 2 TYR C C -24.822 -10.551 3.148 . . . 1.0 . . . . . . . . . . . . C . 2 TYR C . . . . . . . . . rr_2muz 1
. 1 . 224 . 3 1 2 TYR CA C -25.376 -11.469 4.150 . . . 1.0 . . . . . . . . . . . . C . 2 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 225 . 3 1 2 TYR N N -25.335 -10.935 5.469 . . . 1.0 . . . . . . . . . . . . C . 2 TYR N . . . . . . . . . rr_2muz 1
. 1 . 226 . 3 1 2 TYR O O -23.897 -10.905 2.427 . . . 1.0 . . . . . . . . . . . . C . 2 TYR O . . . . . . . . . rr_2muz 1
. 1 . 227 . 3 1 3 LYS C C -23.611 -8.468 1.682 . . . 1.0 . . . . . . . . . . . . C . 3 LYS C . . . . . . . . . rr_2muz 1
. 1 . 228 . 3 1 3 LYS CA C -25.048 -8.436 2.053 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CA . . . . . . . . . rr_2muz 1
. 1 . 229 . 3 1 3 LYS N N -25.355 -9.355 3.111 . . . 1.0 . . . . . . . . . . . . C . 3 LYS N . . . . . . . . . rr_2muz 1
. 1 . 230 . 3 1 3 LYS O O -23.270 -8.531 0.536 . . . 1.0 . . . . . . . . . . . . C . 3 LYS O . . . . . . . . . rr_2muz 1
. 1 . 231 . 3 1 4 GLU C C -20.992 -9.864 1.791 . . . 1.0 . . . . . . . . . . . . C . 4 GLU C . . . . . . . . . rr_2muz 1
. 1 . 232 . 3 1 4 GLU CA C -21.388 -8.638 2.487 . . . 1.0 . . . . . . . . . . . . C . 4 GLU CA . . . . . . . . . rr_2muz 1
. 1 . 233 . 3 1 4 GLU N N -22.793 -8.631 2.685 . . . 1.0 . . . . . . . . . . . . C . 4 GLU N . . . . . . . . . rr_2muz 1
. 1 . 234 . 3 1 4 GLU O O -20.131 -9.835 0.940 . . . 1.0 . . . . . . . . . . . . C . 4 GLU O . . . . . . . . . rr_2muz 1
. 1 . 235 . 3 1 5 ILE C C -21.568 -12.069 0.097 . . . 1.0 . . . . . . . . . . . . C . 5 ILE C . . . . . . . . . rr_2muz 1
. 1 . 236 . 3 1 5 ILE CA C -21.257 -12.215 1.558 . . . 1.0 . . . . . . . . . . . . C . 5 ILE CA . . . . . . . . . rr_2muz 1
. 1 . 237 . 3 1 5 ILE N N -21.591 -10.955 2.167 . . . 1.0 . . . . . . . . . . . . C . 5 ILE N . . . . . . . . . rr_2muz 1
. 1 . 238 . 3 1 5 ILE O O -20.735 -12.344 -0.745 . . . 1.0 . . . . . . . . . . . . C . 5 ILE O . . . . . . . . . rr_2muz 1
. 1 . 239 . 3 1 6 ALA C C -22.247 -10.713 -2.375 . . . 1.0 . . . . . . . . . . . . C . 6 ALA C . . . . . . . . . rr_2muz 1
. 1 . 240 . 3 1 6 ALA CA C -23.245 -11.476 -1.548 . . . 1.0 . . . . . . . . . . . . C . 6 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 241 . 3 1 6 ALA N N -22.769 -11.598 -0.187 . . . 1.0 . . . . . . . . . . . . C . 6 ALA N . . . . . . . . . rr_2muz 1
. 1 . 242 . 3 1 6 ALA O O -21.772 -11.179 -3.405 . . . 1.0 . . . . . . . . . . . . C . 6 ALA O . . . . . . . . . rr_2muz 1
. 1 . 243 . 3 1 7 HIS C C -19.661 -9.397 -2.845 . . . 1.0 . . . . . . . . . . . . C . 7 HIS C . . . . . . . . . rr_2muz 1
. 1 . 244 . 3 1 7 HIS CA C -20.959 -8.689 -2.578 . . . 0.5 . . . . . . . . . . . . C . 7 HIS CA . . . . . . . . . rr_2muz 1
. 1 . 245 . 3 1 7 HIS N N -21.910 -9.534 -1.889 . . . 1.0 . . . . . . . . . . . . C . 7 HIS N . . . . . . . . . rr_2muz 1
. 1 . 246 . 3 1 7 HIS O O -19.257 -9.559 -3.993 . . . 1.0 . . . . . . . . . . . . C . 7 HIS O . . . . . . . . . rr_2muz 1
. 1 . 247 . 3 1 8 ALA C C -17.819 -11.572 -2.944 . . . 1.0 . . . . . . . . . . . . C . 8 ALA C . . . . . . . . . rr_2muz 1
. 1 . 248 . 3 1 8 ALA CA C -17.757 -10.489 -1.888 . . . 1.0 . . . . . . . . . . . . C . 8 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 249 . 3 1 8 ALA N N -19.021 -9.819 -1.776 . . . 1.0 . . . . . . . . . . . . C . 8 ALA N . . . . . . . . . rr_2muz 1
. 1 . 250 . 3 1 8 ALA O O -16.890 -11.745 -3.712 . . . 1.0 . . . . . . . . . . . . C . 8 ALA O . . . . . . . . . rr_2muz 1
. 1 . 251 . 3 1 9 LEU C C -19.088 -12.786 -5.338 . . . 1.0 . . . . . . . . . . . . C . 9 LEU C . . . . . . . . . rr_2muz 1
. 1 . 252 . 3 1 9 LEU CA C -19.091 -13.350 -3.955 . . . 1.0 . . . . . . . . . . . . C . 9 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 253 . 3 1 9 LEU N N -18.938 -12.270 -3.007 . . . 1.0 . . . . . . . . . . . . C . 9 LEU N . . . . . . . . . rr_2muz 1
. 1 . 254 . 3 1 9 LEU O O -18.420 -13.302 -6.210 . . . 1.0 . . . . . . . . . . . . C . 9 LEU O . . . . . . . . . rr_2muz 1
. 1 . 255 . 3 1 10 PHE C C -18.525 -10.814 -7.299 . . . 1.0 . . . . . . . . . . . . C . 10 PHE C . . . . . . . . . rr_2muz 1
. 1 . 256 . 3 1 10 PHE CA C -19.929 -11.103 -6.835 . . . 1.0 . . . . . . . . . . . . C . 10 PHE CA . . . . . . . . . rr_2muz 1
. 1 . 257 . 3 1 10 PHE N N -19.848 -11.720 -5.532 . . . 1.0 . . . . . . . . . . . . C . 10 PHE N . . . . . . . . . rr_2muz 1
. 1 . 258 . 3 1 10 PHE O O -18.080 -11.329 -8.323 . . . 1.0 . . . . . . . . . . . . C . 10 PHE O . . . . . . . . . rr_2muz 1
. 1 . 259 . 3 1 11 SER C C -15.594 -10.787 -7.162 . . . 1.0 . . . . . . . . . . . . C . 11 SER C . . . . . . . . . rr_2muz 1
. 1 . 260 . 3 1 11 SER CA C -16.467 -9.602 -6.840 . . . 1.0 . . . . . . . . . . . . C . 11 SER CA . . . . . . . . . rr_2muz 1
. 1 . 261 . 3 1 11 SER N N -17.818 -10.021 -6.507 . . . 1.0 . . . . . . . . . . . . C . 11 SER N . . . . . . . . . rr_2muz 1
. 1 . 262 . 3 1 11 SER O O -14.797 -10.769 -8.103 . . . 1.0 . . . . . . . . . . . . C . 11 SER O . . . . . . . . . rr_2muz 1
. 1 . 263 . 3 1 12 ALA C C -15.238 -13.621 -7.887 . . . 1.0 . . . . . . . . . . . . C . 12 ALA C . . . . . . . . . rr_2muz 1
. 1 . 264 . 3 1 12 ALA CA C -14.992 -13.034 -6.526 . . . 1.0 . . . . . . . . . . . . C . 12 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 265 . 3 1 12 ALA N N -15.772 -11.833 -6.377 . . . 1.0 . . . . . . . . . . . . C . 12 ALA N . . . . . . . . . rr_2muz 1
. 1 . 266 . 3 1 12 ALA O O -14.323 -14.090 -8.553 . . . 1.0 . . . . . . . . . . . . C . 12 ALA O . . . . . . . . . rr_2muz 1
. 1 . 267 . 3 1 13 LEU C C -16.285 -13.365 -10.695 . . . 1.0 . . . . . . . . . . . . C . 13 LEU C . . . . . . . . . rr_2muz 1
. 1 . 268 . 3 1 13 LEU CA C -16.867 -14.159 -9.562 . . . 1.0 . . . . . . . . . . . . C . 13 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 269 . 3 1 13 LEU N N -16.488 -13.576 -8.306 . . . 1.0 . . . . . . . . . . . . C . 13 LEU N . . . . . . . . . rr_2muz 1
. 1 . 270 . 3 1 13 LEU O O -15.696 -13.926 -11.605 . . . 1.0 . . . . . . . . . . . . C . 13 LEU O . . . . . . . . . rr_2muz 1
. 1 . 271 . 3 1 14 . C C -14.400 -11.530 -11.815 . . . 1.0 . . . . . . . . . . . . C . 14 PFF C . . . . . . . . . rr_2muz 1
. 1 . 272 . 3 1 14 . CA C -15.861 -11.210 -11.656 . . . 1.0 . . . . . . . . . . . . C . 14 PFF CA . . . . . . . . . rr_2muz 1
. 1 . 273 . 3 1 14 . CB C -16.034 -9.748 -11.304 . . . 1.0 . . . . . . . . . . . . C . 14 PFF CB . . . . . . . . . rr_2muz 1
. 1 . 274 . 3 1 14 . CD1 C -15.840 -8.480 -13.425 . . . 1.0 . . . . . . . . . . . . C . 14 PFF CD1 . . . . . . . . . rr_2muz 1
. 1 . 275 . 3 1 14 . CD2 C -14.079 -8.320 -11.863 . . . 1.0 . . . . . . . . . . . . C . 14 PFF CD2 . . . . . . . . . rr_2muz 1
. 1 . 276 . 3 1 14 . CE1 C -15.168 -7.644 -14.266 . . . 1.0 . . . . . . . . . . . . C . 14 PFF CE1 . . . . . . . . . rr_2muz 1
. 1 . 277 . 3 1 14 . CE2 C -13.409 -7.486 -12.708 . . . 1.0 . . . . . . . . . . . . C . 14 PFF CE2 . . . . . . . . . rr_2muz 1
. 1 . 278 . 3 1 14 . CG C -15.306 -8.825 -12.211 . . . 1.0 . . . . . . . . . . . . C . 14 PFF CG . . . . . . . . . rr_2muz 1
. 1 . 279 . 3 1 14 . CZ C -13.955 -7.148 -13.904 . . . 1.0 . . . . . . . . . . . . C . 14 PFF CZ . . . . . . . . . rr_2muz 1
. 1 . 280 . 3 1 14 . F F -13.419 -6.477 -14.578 . . . 1.0 . . . . . . . . . . . . C . 14 PFF F . . . . . . . . . rr_2muz 1
. 1 . 281 . 3 1 14 . N N -16.437 -12.053 -10.630 . . . 1.0 . . . . . . . . . . . . C . 14 PFF N . . . . . . . . . rr_2muz 1
. 1 . 282 . 3 1 14 . O O -13.904 -11.679 -12.925 . . . 1.0 . . . . . . . . . . . . C . 14 PFF O . . . . . . . . . rr_2muz 1
. 1 . 283 . 3 1 15 ALA C C -11.964 -13.306 -11.344 . . . 1.0 . . . . . . . . . . . . C . 15 ALA C . . . . . . . . . rr_2muz 1
. 1 . 284 . 3 1 15 ALA CA C -12.294 -11.953 -10.739 . . . 1.0 . . . . . . . . . . . . C . 15 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 285 . 3 1 15 ALA N N -13.719 -11.683 -10.693 . . . 1.0 . . . . . . . . . . . . C . 15 ALA N . . . . . . . . . rr_2muz 1
. 1 . 286 . 3 1 15 ALA O O -11.039 -13.430 -12.141 . . . 1.0 . . . . . . . . . . . . C . 15 ALA O . . . . . . . . . rr_2muz 1
. 1 . 287 . 3 1 16 LEU C C -12.643 -15.701 -12.953 . . . 1.0 . . . . . . . . . . . . C . 16 LEU C . . . . . . . . . rr_2muz 1
. 1 . 288 . 3 1 16 LEU CA C -12.446 -15.657 -11.459 . . . 1.0 . . . . . . . . . . . . C . 16 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 289 . 3 1 16 LEU N N -12.718 -14.324 -10.962 . . . 1.0 . . . . . . . . . . . . C . 16 LEU N . . . . . . . . . rr_2muz 1
. 1 . 290 . 3 1 16 LEU O O -11.823 -16.234 -13.683 . . . 1.0 . . . . . . . . . . . . C . 16 LEU O . . . . . . . . . rr_2muz 1
. 1 . 291 . 3 1 17 SER C C -12.982 -14.341 -15.556 . . . 1.0 . . . . . . . . . . . . C . 17 SER C . . . . . . . . . rr_2muz 1
. 1 . 292 . 3 1 17 SER CA C -14.079 -15.043 -14.803 . . . 1.0 . . . . . . . . . . . . C . 17 SER CA . . . . . . . . . rr_2muz 1
. 1 . 293 . 3 1 17 SER N N -13.744 -15.120 -13.396 . . . 1.0 . . . . . . . . . . . . C . 17 SER N . . . . . . . . . rr_2muz 1
. 1 . 294 . 3 1 17 SER O O -12.517 -14.815 -16.590 . . . 1.0 . . . . . . . . . . . . C . 17 SER O . . . . . . . . . rr_2muz 1
. 1 . 295 . 3 1 18 GLU C C -10.247 -13.307 -15.765 . . . 1.0 . . . . . . . . . . . . C . 18 GLU C . . . . . . . . . rr_2muz 1
. 1 . 296 . 3 1 18 GLU CA C -11.486 -12.448 -15.603 . . . 1.0 . . . . . . . . . . . . C . 18 GLU CA . . . . . . . . . rr_2muz 1
. 1 . 297 . 3 1 18 GLU N N -12.576 -13.202 -15.029 . . . 1.0 . . . . . . . . . . . . C . 18 GLU N . . . . . . . . . rr_2muz 1
. 1 . 298 . 3 1 18 GLU O O -9.547 -13.232 -16.774 . . . 1.0 . . . . . . . . . . . . C . 18 GLU O . . . . . . . . . rr_2muz 1
. 1 . 299 . 3 1 19 LEU C C -8.979 -15.970 -16.000 . . . 1.0 . . . . . . . . . . . . C . 19 LEU C . . . . . . . . . rr_2muz 1
. 1 . 300 . 3 1 19 LEU CA C -8.814 -14.999 -14.859 . . . 1.0 . . . . . . . . . . . . C . 19 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 301 . 3 1 19 LEU N N -9.968 -14.131 -14.769 . . . 1.0 . . . . . . . . . . . . C . 19 LEU N . . . . . . . . . rr_2muz 1
. 1 . 302 . 3 1 19 LEU O O -8.144 -16.049 -16.897 . . . 1.0 . . . . . . . . . . . . C . 19 LEU O . . . . . . . . . rr_2muz 1
. 1 . 303 . 3 1 20 TYR C C -10.165 -17.193 -18.307 . . . 1.0 . . . . . . . . . . . . C . 20 TYR C . . . . . . . . . rr_2muz 1
. 1 . 304 . 3 1 20 TYR CA C -10.379 -17.724 -16.922 . . . 1.0 . . . . . . . . . . . . C . 20 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 305 . 3 1 20 TYR N N -10.063 -16.722 -15.932 . . . 1.0 . . . . . . . . . . . . C . 20 TYR N . . . . . . . . . rr_2muz 1
. 1 . 306 . 3 1 20 TYR O O -9.429 -17.778 -19.099 . . . 1.0 . . . . . . . . . . . . C . 20 TYR O . . . . . . . . . rr_2muz 1
. 1 . 307 . 3 1 21 ILE C C -9.189 -15.166 -20.187 . . . 1.0 . . . . . . . . . . . . C . 21 ILE C . . . . . . . . . rr_2muz 1
. 1 . 308 . 3 1 21 ILE CA C -10.645 -15.507 -19.928 . . . 1.0 . . . . . . . . . . . . C . 21 ILE CA . . . . . . . . . rr_2muz 1
. 1 . 309 . 3 1 21 ILE N N -10.797 -16.067 -18.601 . . . 1.0 . . . . . . . . . . . . C . 21 ILE N . . . . . . . . . rr_2muz 1
. 1 . 310 . 3 1 21 ILE O O -8.653 -15.499 -21.244 . . . 1.0 . . . . . . . . . . . . C . 21 ILE O . . . . . . . . . rr_2muz 1
. 1 . 311 . 3 1 22 ALA C C -6.292 -15.312 -19.778 . . . 1.0 . . . . . . . . . . . . C . 22 ALA C . . . . . . . . . rr_2muz 1
. 1 . 312 . 3 1 22 ALA CA C -7.159 -14.135 -19.370 . . . 1.0 . . . . . . . . . . . . C . 22 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 313 . 3 1 22 ALA N N -8.540 -14.549 -19.206 . . . 1.0 . . . . . . . . . . . . C . 22 ALA N . . . . . . . . . rr_2muz 1
. 1 . 314 . 3 1 22 ALA O O -5.284 -15.142 -20.451 . . . 1.0 . . . . . . . . . . . . C . 22 ALA O . . . . . . . . . rr_2muz 1
. 1 . 315 . 3 1 23 VAL C C -6.476 -17.980 -21.303 . . . 1.0 . . . . . . . . . . . . C . 23 VAL C . . . . . . . . . rr_2muz 1
. 1 . 316 . 3 1 23 VAL CA C -6.025 -17.697 -19.890 . . . 1.0 . . . . . . . . . . . . C . 23 VAL CA . . . . . . . . . rr_2muz 1
. 1 . 317 . 3 1 23 VAL N N -6.700 -16.513 -19.393 . . . 1.0 . . . . . . . . . . . . C . 23 VAL N . . . . . . . . . rr_2muz 1
. 1 . 318 . 3 1 23 VAL O O -5.666 -18.090 -22.210 . . . 1.0 . . . . . . . . . . . . C . 23 VAL O . . . . . . . . . rr_2muz 1
. 1 . 319 . 3 1 24 ARG C C -8.056 -17.696 -23.906 . . . 1.0 . . . . . . . . . . . . C . 24 ARG C . . . . . . . . . rr_2muz 1
. 1 . 320 . 3 1 24 ARG CA C -8.292 -18.625 -22.741 . . . 1.0 . . . . . . . . . . . . C . 24 ARG CA . . . . . . . . . rr_2muz 1
. 1 . 321 . 3 1 24 ARG N N -7.780 -18.105 -21.487 . . . 1.0 . . . . . . . . . . . . C . 24 ARG N . . . . . . . . . rr_2muz 1
. 1 . 322 . 3 1 24 ARG O O -7.696 -18.129 -24.991 . . . 1.0 . . . . . . . . . . . . C . 24 ARG O . . . . . . . . . rr_2muz 1
. 1 . 323 . 3 1 25 TYR C C -7.272 -14.296 -24.358 . . . 1.0 . . . . . . . . . . . . C . 25 TYR C . . . . . . . . . rr_2muz 1
. 1 . 324 . 3 1 25 TYR CA C -8.185 -15.442 -24.751 . . . 1.0 . . . . . . . . . . . . C . 25 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 325 . 3 1 25 TYR N N -8.264 -16.410 -23.677 . . . 1.0 . . . . . . . . . . . . C . 25 TYR N . . . . . . . . . rr_2muz 1
. 1 . 326 . 3 1 25 TYR O O -7.579 -13.136 -24.604 . . . 1.0 . . . . . . . . . . . . C . 25 TYR O . . . . . . . . . rr_2muz 1
. 1 . 327 . 3 1 26 NH2 N N -6.149 -14.631 -23.742 . . . 1.0 . . . . . . . . . . . . C . 26 NH2 N . . . . . . . . . rr_2muz 1
. 1 . 328 . 4 1 1 TYR C C -0.664 -13.823 -20.201 . . . 1.0 . . . . . . . . . . . . D . 1 TYR C . . . . . . . . . rr_2muz 1
. 1 . 329 . 4 1 1 TYR CA C -1.106 -13.666 -21.660 . . . 1.0 . . . . . . . . . . . . D . 1 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 330 . 4 1 1 TYR N N -0.712 -12.358 -22.165 . . . 1.0 . . . . . . . . . . . . D . 1 TYR N . . . . . . . . . rr_2muz 1
. 1 . 331 . 4 1 1 TYR O O -1.417 -14.317 -19.364 . . . 1.0 . . . . . . . . . . . . D . 1 TYR O . . . . . . . . . rr_2muz 1
. 1 . 332 . 4 1 2 TYR C C 1.084 -12.580 -17.561 . . . 1.0 . . . . . . . . . . . . D . 2 TYR C . . . . . . . . . rr_2muz 1
. 1 . 333 . 4 1 2 TYR CA C 1.238 -13.651 -18.645 . . . 1.0 . . . . . . . . . . . . D . 2 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 334 . 4 1 2 TYR N N 0.546 -13.357 -19.906 . . . 1.0 . . . . . . . . . . . . D . 2 TYR N . . . . . . . . . rr_2muz 1
. 1 . 335 . 4 1 2 TYR O O 0.636 -12.872 -16.447 . . . 1.0 . . . . . . . . . . . . D . 2 TYR O . . . . . . . . . rr_2muz 1
. 1 . 336 . 4 1 3 LYS C C -0.176 -10.179 -16.621 . . . 1.0 . . . . . . . . . . . . D . 3 LYS C . . . . . . . . . rr_2muz 1
. 1 . 337 . 4 1 3 LYS CA C 1.290 -10.202 -17.017 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CA . . . . . . . . . rr_2muz 1
. 1 . 338 . 4 1 3 LYS N N 1.500 -11.355 -17.883 . . . 1.0 . . . . . . . . . . . . D . 3 LYS N . . . . . . . . . rr_2muz 1
. 1 . 339 . 4 1 3 LYS O O -0.521 -10.020 -15.442 . . . 1.0 . . . . . . . . . . . . D . 3 LYS O . . . . . . . . . rr_2muz 1
. 1 . 340 . 4 1 4 GLU C C -2.739 -11.521 -16.357 . . . 1.0 . . . . . . . . . . . . D . 4 GLU C . . . . . . . . . rr_2muz 1
. 1 . 341 . 4 1 4 GLU CA C -2.450 -10.484 -17.419 . . . 1.0 . . . . . . . . . . . . D . 4 GLU CA . . . . . . . . . rr_2muz 1
. 1 . 342 . 4 1 4 GLU N N -1.030 -10.366 -17.627 . . . 1.0 . . . . . . . . . . . . D . 4 GLU N . . . . . . . . . rr_2muz 1
. 1 . 343 . 4 1 4 GLU O O -3.270 -11.180 -15.309 . . . 1.0 . . . . . . . . . . . . D . 4 GLU O . . . . . . . . . rr_2muz 1
. 1 . 344 . 4 1 5 ILE C C -2.254 -13.658 -14.263 . . . 1.0 . . . . . . . . . . . . D . 5 ILE C . . . . . . . . . rr_2muz 1
. 1 . 345 . 4 1 5 ILE CA C -2.799 -13.860 -15.672 . . . 1.0 . . . . . . . . . . . . D . 5 ILE CA . . . . . . . . . rr_2muz 1
. 1 . 346 . 4 1 5 ILE N N -2.404 -12.792 -16.605 . . . 1.0 . . . . . . . . . . . . D . 5 ILE N . . . . . . . . . rr_2muz 1
. 1 . 347 . 4 1 5 ILE O O -2.800 -14.188 -13.302 . . . 1.0 . . . . . . . . . . . . D . 5 ILE O . . . . . . . . . rr_2muz 1
. 1 . 348 . 4 1 6 ALA C C -1.640 -11.519 -12.190 . . . 1.0 . . . . . . . . . . . . D . 6 ALA C . . . . . . . . . rr_2muz 1
. 1 . 349 . 4 1 6 ALA CA C -0.665 -12.493 -12.849 . . . 1.0 . . . . . . . . . . . . D . 6 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 350 . 4 1 6 ALA N N -1.174 -12.893 -14.154 . . . 1.0 . . . . . . . . . . . . D . 6 ALA N . . . . . . . . . rr_2muz 1
. 1 . 351 . 4 1 6 ALA O O -2.033 -11.702 -11.028 . . . 1.0 . . . . . . . . . . . . D . 6 ALA O . . . . . . . . . rr_2muz 1
. 1 . 352 . 4 1 7 HIS C C -4.285 -10.187 -12.005 . . . 1.0 . . . . . . . . . . . . D . 7 HIS C . . . . . . . . . rr_2muz 1
. 1 . 353 . 4 1 7 HIS CA C -2.996 -9.502 -12.463 . . . 1.0 . . . . . . . . . . . . D . 7 HIS CA . . . . . . . . . rr_2muz 1
. 1 . 354 . 4 1 7 HIS N N -2.027 -10.486 -12.941 . . . 1.0 . . . . . . . . . . . . D . 7 HIS N . . . . . . . . . rr_2muz 1
. 1 . 355 . 4 1 7 HIS O O -4.768 -9.953 -10.895 . . . 1.0 . . . . . . . . . . . . D . 7 HIS O . . . . . . . . . rr_2muz 1
. 1 . 356 . 4 1 8 ALA C C -5.935 -12.728 -11.410 . . . 1.0 . . . . . . . . . . . . D . 8 ALA C . . . . . . . . . rr_2muz 1
. 1 . 357 . 4 1 8 ALA CA C -6.075 -11.746 -12.576 . . . 1.0 . . . . . . . . . . . . D . 8 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 358 . 4 1 8 ALA N N -4.833 -11.037 -12.868 . . . 1.0 . . . . . . . . . . . . D . 8 ALA N . . . . . . . . . rr_2muz 1
. 1 . 359 . 4 1 8 ALA O O -6.860 -12.885 -10.608 . . . 1.0 . . . . . . . . . . . . D . 8 ALA O . . . . . . . . . rr_2muz 1
. 1 . 360 . 4 1 9 LEU C C -4.569 -13.536 -8.903 . . . 1.0 . . . . . . . . . . . . D . 9 LEU C . . . . . . . . . rr_2muz 1
. 1 . 361 . 4 1 9 LEU CA C -4.463 -14.290 -10.222 . . . 1.0 . . . . . . . . . . . . D . 9 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 362 . 4 1 9 LEU N N -4.786 -13.396 -11.336 . . . 1.0 . . . . . . . . . . . . D . 9 LEU N . . . . . . . . . rr_2muz 1
. 1 . 363 . 4 1 9 LEU O O -5.302 -13.945 -7.997 . . . 1.0 . . . . . . . . . . . . D . 9 LEU O . . . . . . . . . rr_2muz 1
. 1 . 364 . 4 1 10 PHE C C -5.363 -11.171 -7.375 . . . 1.0 . . . . . . . . . . . . D . 10 PHE C . . . . . . . . . rr_2muz 1
. 1 . 365 . 4 1 10 PHE CA C -3.904 -11.526 -7.675 . . . 1.0 . . . . . . . . . . . . D . 10 PHE CA . . . . . . . . . rr_2muz 1
. 1 . 366 . 4 1 10 PHE N N -3.822 -12.439 -8.811 . . . 1.0 . . . . . . . . . . . . D . 10 PHE N . . . . . . . . . rr_2muz 1
. 1 . 367 . 4 1 10 PHE O O -5.840 -11.402 -6.260 . . . 1.0 . . . . . . . . . . . . D . 10 PHE O . . . . . . . . . rr_2muz 1
. 1 . 368 . 4 1 11 SER C C -8.318 -11.257 -7.553 . . . 1.0 . . . . . . . . . . . . D . 11 SER C . . . . . . . . . rr_2muz 1
. 1 . 369 . 4 1 11 SER CA C -7.448 -10.191 -8.217 . . . 1.0 . . . . . . . . . . . . D . 11 SER CA . . . . . . . . . rr_2muz 1
. 1 . 370 . 4 1 11 SER N N -6.059 -10.622 -8.369 . . . 1.0 . . . . . . . . . . . . D . 11 SER N . . . . . . . . . rr_2muz 1
. 1 . 371 . 4 1 11 SER O O -8.972 -11.000 -6.537 . . . 1.0 . . . . . . . . . . . . D . 11 SER O . . . . . . . . . rr_2muz 1
. 1 . 372 . 4 1 12 ALA C C -8.647 -13.967 -6.196 . . . 1.0 . . . . . . . . . . . . D . 12 ALA C . . . . . . . . . rr_2muz 1
. 1 . 373 . 4 1 12 ALA CA C -9.073 -13.580 -7.609 . . . 1.0 . . . . . . . . . . . . D . 12 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 374 . 4 1 12 ALA N N -8.304 -12.455 -8.129 . . . 1.0 . . . . . . . . . . . . D . 12 ALA N . . . . . . . . . rr_2muz 1
. 1 . 375 . 4 1 12 ALA O O -9.478 -14.364 -5.381 . . . 1.0 . . . . . . . . . . . . D . 12 ALA O . . . . . . . . . rr_2muz 1
. 1 . 376 . 4 1 13 LEU C C -7.394 -13.221 -3.519 . . . 1.0 . . . . . . . . . . . . D . 13 LEU C . . . . . . . . . rr_2muz 1
. 1 . 377 . 4 1 13 LEU CA C -6.840 -14.180 -4.581 . . . 1.0 . . . . . . . . . . . . D . 13 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 378 . 4 1 13 LEU N N -7.353 -13.863 -5.912 . . . 1.0 . . . . . . . . . . . . D . 13 LEU N . . . . . . . . . rr_2muz 1
. 1 . 379 . 4 1 13 LEU O O -7.987 -13.660 -2.527 . . . 1.0 . . . . . . . . . . . . D . 13 LEU O . . . . . . . . . rr_2muz 1
. 1 . 380 . 4 1 14 . C C -9.230 -11.029 -2.653 . . . 1.0 . . . . . . . . . . . . D . 14 PFF C . . . . . . . . . rr_2muz 1
. 1 . 381 . 4 1 14 . CA C -7.716 -10.912 -2.810 . . . 1.0 . . . . . . . . . . . . D . 14 PFF CA . . . . . . . . . rr_2muz 1
. 1 . 382 . 4 1 14 . CB C -7.328 -9.502 -3.257 . . . 1.0 . . . . . . . . . . . . D . 14 PFF CB . . . . . . . . . rr_2muz 1
. 1 . 383 . 4 1 14 . CD1 C -7.471 -8.022 -1.221 . . . 1.0 . . . . . . . . . . . . D . 14 PFF CD1 . . . . . . . . . rr_2muz 1
. 1 . 384 . 4 1 14 . CD2 C -9.103 -7.741 -2.946 . . . 1.0 . . . . . . . . . . . . D . 14 PFF CD2 . . . . . . . . . rr_2muz 1
. 1 . 385 . 4 1 14 . CE1 C -8.069 -7.007 -0.482 . . . 1.0 . . . . . . . . . . . . D . 14 PFF CE1 . . . . . . . . . rr_2muz 1
. 1 . 386 . 4 1 14 . CE2 C -9.706 -6.725 -2.216 . . . 1.0 . . . . . . . . . . . . D . 14 PFF CE2 . . . . . . . . . rr_2muz 1
. 1 . 387 . 4 1 14 . CG C -7.984 -8.404 -2.456 . . . 1.0 . . . . . . . . . . . . D . 14 PFF CG . . . . . . . . . rr_2muz 1
. 1 . 388 . 4 1 14 . CZ C -9.189 -6.358 -0.981 . . . 1.0 . . . . . . . . . . . . D . 14 PFF CZ . . . . . . . . . rr_2muz 1
. 1 . 389 . 4 1 14 . F F -9.660 -5.562 -0.406 . . . 1.0 . . . . . . . . . . . . D . 14 PFF F . . . . . . . . . rr_2muz 1
. 1 . 390 . 4 1 14 . N N -7.214 -11.919 -3.738 . . . 1.0 . . . . . . . . . . . . D . 14 PFF N . . . . . . . . . rr_2muz 1
. 1 . 391 . 4 1 14 . O O -9.745 -11.030 -1.537 . . . 1.0 . . . . . . . . . . . . D . 14 PFF O . . . . . . . . . rr_2muz 1
. 1 . 392 . 4 1 15 ALA C C -11.908 -12.471 -2.983 . . . 1.0 . . . . . . . . . . . . D . 15 ALA C . . . . . . . . . rr_2muz 1
. 1 . 393 . 4 1 15 ALA CA C -11.397 -11.242 -3.743 . . . 1.0 . . . . . . . . . . . . D . 15 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 394 . 4 1 15 ALA N N -9.937 -11.144 -3.774 . . . 1.0 . . . . . . . . . . . . D . 15 ALA N . . . . . . . . . rr_2muz 1
. 1 . 395 . 4 1 15 ALA O O -12.778 -12.354 -2.116 . . . 1.0 . . . . . . . . . . . . D . 15 ALA O . . . . . . . . . rr_2muz 1
. 1 . 396 . 4 1 16 LEU C C -11.437 -14.820 -1.157 . . . 1.0 . . . . . . . . . . . . D . 16 LEU C . . . . . . . . . rr_2muz 1
. 1 . 397 . 4 1 16 LEU CA C -11.742 -14.886 -2.651 . . . 1.0 . . . . . . . . . . . . D . 16 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 398 . 4 1 16 LEU N N -11.380 -13.643 -3.328 . . . 1.0 . . . . . . . . . . . . D . 16 LEU N . . . . . . . . . rr_2muz 1
. 1 . 399 . 4 1 16 LEU O O -12.223 -15.296 -0.338 . . . 1.0 . . . . . . . . . . . . D . 16 LEU O . . . . . . . . . rr_2muz 1
. 1 . 400 . 4 1 17 SER C C -11.007 -13.148 1.292 . . . 1.0 . . . . . . . . . . . . D . 17 SER C . . . . . . . . . rr_2muz 1
. 1 . 401 . 4 1 17 SER CA C -9.969 -14.040 0.607 . . . 1.0 . . . . . . . . . . . . D . 17 SER CA . . . . . . . . . rr_2muz 1
. 1 . 402 . 4 1 17 SER N N -10.297 -14.230 -0.802 . . . 1.0 . . . . . . . . . . . . D . 17 SER N . . . . . . . . . rr_2muz 1
. 1 . 403 . 4 1 17 SER O O -11.482 -13.471 2.381 . . . 1.0 . . . . . . . . . . . . D . 17 SER O . . . . . . . . . rr_2muz 1
. 1 . 404 . 4 1 18 GLU C C -13.722 -11.866 1.388 . . . 1.0 . . . . . . . . . . . . D . 18 GLU C . . . . . . . . . rr_2muz 1
. 1 . 405 . 4 1 18 GLU CA C -12.399 -11.138 1.157 . . . 1.0 . . . . . . . . . . . . D . 18 GLU CA . . . . . . . . . rr_2muz 1
. 1 . 406 . 4 1 18 GLU N N -11.367 -12.041 0.644 . . . 1.0 . . . . . . . . . . . . D . 18 GLU N . . . . . . . . . rr_2muz 1
. 1 . 407 . 4 1 18 GLU O O -14.387 -11.655 2.403 . . . 1.0 . . . . . . . . . . . . D . 18 GLU O . . . . . . . . . rr_2muz 1
. 1 . 408 . 4 1 19 LEU C C -15.235 -14.477 1.767 . . . 1.0 . . . . . . . . . . . . D . 19 LEU C . . . . . . . . . rr_2muz 1
. 1 . 409 . 4 1 19 LEU CA C -15.299 -13.543 0.564 . . . 1.0 . . . . . . . . . . . . D . 19 LEU CA . . . . . . . . . rr_2muz 1
. 1 . 410 . 4 1 19 LEU N N -14.089 -12.729 0.440 . . . 1.0 . . . . . . . . . . . . D . 19 LEU N . . . . . . . . . rr_2muz 1
. 1 . 411 . 4 1 19 LEU O O -16.126 -14.464 2.611 . . . 1.0 . . . . . . . . . . . . D . 19 LEU O . . . . . . . . . rr_2muz 1
. 1 . 412 . 4 1 20 TYR C C -14.079 -15.439 4.297 . . . 1.0 . . . . . . . . . . . . D . 20 TYR C . . . . . . . . . rr_2muz 1
. 1 . 413 . 4 1 20 TYR CA C -13.924 -16.171 2.962 . . . 1.0 . . . . . . . . . . . . D . 20 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 414 . 4 1 20 TYR N N -14.181 -15.289 1.826 . . . 1.0 . . . . . . . . . . . . D . 20 TYR N . . . . . . . . . rr_2muz 1
. 1 . 415 . 4 1 20 TYR O O -14.887 -15.826 5.151 . . . 1.0 . . . . . . . . . . . . D . 20 TYR O . . . . . . . . . rr_2muz 1
. 1 . 416 . 4 1 21 ILE C C -14.721 -13.080 5.981 . . . 1.0 . . . . . . . . . . . . D . 21 ILE C . . . . . . . . . rr_2muz 1
. 1 . 417 . 4 1 21 ILE CA C -13.301 -13.545 5.649 . . . 1.0 . . . . . . . . . . . . D . 21 ILE CA . . . . . . . . . rr_2muz 1
. 1 . 418 . 4 1 21 ILE N N -13.285 -14.383 4.459 . . . 1.0 . . . . . . . . . . . . D . 21 ILE N . . . . . . . . . rr_2muz 1
. 1 . 419 . 4 1 21 ILE O O -15.179 -13.203 7.119 . . . 1.0 . . . . . . . . . . . . D . 21 ILE O . . . . . . . . . rr_2muz 1
. 1 . 420 . 4 1 22 ALA C C -17.780 -13.099 5.562 . . . 1.0 . . . . . . . . . . . . D . 22 ALA C . . . . . . . . . rr_2muz 1
. 1 . 421 . 4 1 22 ALA CA C -16.764 -12.025 5.166 . . . 1.0 . . . . . . . . . . . . D . 22 ALA CA . . . . . . . . . rr_2muz 1
. 1 . 422 . 4 1 22 ALA N N -15.415 -12.553 4.976 . . . 1.0 . . . . . . . . . . . . D . 22 ALA N . . . . . . . . . rr_2muz 1
. 1 . 423 . 4 1 22 ALA O O -18.773 -12.804 6.231 . . . 1.0 . . . . . . . . . . . . D . 22 ALA O . . . . . . . . . rr_2muz 1
. 1 . 424 . 4 1 23 VAL C C -18.169 -15.933 6.904 . . . 1.0 . . . . . . . . . . . . D . 23 VAL C . . . . . . . . . rr_2muz 1
. 1 . 425 . 4 1 23 VAL CA C -18.407 -15.453 5.472 . . . 1.0 . . . . . . . . . . . . D . 23 VAL CA . . . . . . . . . rr_2muz 1
. 1 . 426 . 4 1 23 VAL N N -17.533 -14.336 5.135 . . . 1.0 . . . . . . . . . . . . D . 23 VAL N . . . . . . . . . rr_2muz 1
. 1 . 427 . 4 1 23 VAL O O -19.126 -16.187 7.639 . . . 1.0 . . . . . . . . . . . . D . 23 VAL O . . . . . . . . . rr_2muz 1
. 1 . 428 . 4 1 24 ARG C C -16.390 -15.536 9.742 . . . 1.0 . . . . . . . . . . . . D . 24 ARG C . . . . . . . . . rr_2muz 1
. 1 . 429 . 4 1 24 ARG CA C -16.590 -16.583 8.636 . . . 1.0 . . . . . . . . . . . . D . 24 ARG CA . . . . . . . . . rr_2muz 1
. 1 . 430 . 4 1 24 ARG N N -16.904 -16.040 7.309 . . . 1.0 . . . . . . . . . . . . D . 24 ARG N . . . . . . . . . rr_2muz 1
. 1 . 431 . 4 1 24 ARG O O -16.498 -15.859 10.925 . . . 1.0 . . . . . . . . . . . . D . 24 ARG O . . . . . . . . . rr_2muz 1
. 1 . 432 . 4 1 25 TYR C C -16.924 -12.150 10.259 . . . 1.0 . . . . . . . . . . . . D . 25 TYR C . . . . . . . . . rr_2muz 1
. 1 . 433 . 4 1 25 TYR CA C -15.862 -13.246 10.352 . . . 1.0 . . . . . . . . . . . . D . 25 TYR CA . . . . . . . . . rr_2muz 1
. 1 . 434 . 4 1 25 TYR N N -16.085 -14.297 9.366 . . . 1.0 . . . . . . . . . . . . D . 25 TYR N . . . . . . . . . rr_2muz 1
. 1 . 435 . 4 1 25 TYR O O -16.816 -11.103 10.908 . . . 1.0 . . . . . . . . . . . . D . 25 TYR O . . . . . . . . . rr_2muz 1
. 1 . 436 . 4 1 26 NH2 N N -17.949 -12.404 9.450 . . . 1.0 . . . . . . . . . . . . D . 26 NH2 N . . . . . . . . . rr_2muz 1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_framecode global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID rr_2muz
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2muz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2muz 1
1 2muz.mr . . XPLOR/CNS 2 distance "general distance" ambi 2 rr_2muz 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID rr_2muz
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 "From CCPN project: '2muz'" . . . . distance "general distance" . 0 rr_2muz 1
stop_
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2muz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2muz 1
1 2muz.mr . . XPLOR/CNS 2 distance "general distance" ambi 2 rr_2muz 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_2muz
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type "general distance"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2muz 1
stop_
loop_
_Gen_dist_constraint_parse_err.ID
_Gen_dist_constraint_parse_err.Content
_Gen_dist_constraint_parse_err.Begin_line
_Gen_dist_constraint_parse_err.Begin_column
_Gen_dist_constraint_parse_err.End_line
_Gen_dist_constraint_parse_err.End_column
_Gen_dist_constraint_parse_err.Entry_ID
_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID
1 "# Model-independent best-fit of the data using a rectangular structure gives a short distance of 8+-1 A and a long distance of 13 (+2 and -1) A.So, it is a combination of 7-9 A with 12-15A." 1 1 1 190 rr_2muz 1
2 "Entry H atom name Submitted Coord H atom name" 15 3 15 55 rr_2muz 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "a short distance of 8+-1 A" 3 1 3 29 rr_2muz 1
2 "a long distance of 13 (+2 and -1) A" 9 1 9 38 rr_2muz 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'a.14.F19' (nmrStar names),'b.14.F19' (nmrStar names) not linked" rr_2muz 1
2 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'a.14.F19' (nmrStar names),'c.14.F19' (nmrStar names) not linked" rr_2muz 1
3 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'a.14.F19' (nmrStar names),'d.14.F19' (nmrStar names) not linked" rr_2muz 1
4 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'a.14.F19' (nmrStar names),'b.14.F19' (nmrStar names) not linked" rr_2muz 1
5 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'a.14.F19' (nmrStar names),'c.14.F19' (nmrStar names) not linked" rr_2muz 1
6 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'a.14.F19' (nmrStar names),'d.14.F19' (nmrStar names) not linked" rr_2muz 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_2muz
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_2muz 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Model-independent best-fit of the data using a rectangular structure gives a short distance of 8+-1 A and a long distance of 13 (+2 and -1) A.So, it is a combination of 7-9 A with 12-15A." 1 1 1 190 rr_2muz 1
2 "Entry H atom name Submitted Coord H atom name" 15 3 15 55 rr_2muz 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "a short distance of 8+-1 A" 3 1 3 29 rr_2muz 1
2 "a long distance of 13 (+2 and -1) A" 9 1 9 38 rr_2muz 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'a.14.F19' (nmrStar names),'b.14.F19' (nmrStar names) not linked" rr_2muz 1
2 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'a.14.F19' (nmrStar names),'c.14.F19' (nmrStar names) not linked" rr_2muz 1
3 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'a.14.F19' (nmrStar names),'d.14.F19' (nmrStar names) not linked" rr_2muz 1
4 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'a.14.F19' (nmrStar names),'b.14.F19' (nmrStar names) not linked" rr_2muz 1
5 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'a.14.F19' (nmrStar names),'c.14.F19' (nmrStar names) not linked" rr_2muz 1
6 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'a.14.F19' (nmrStar names),'d.14.F19' (nmrStar names) not linked" rr_2muz 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_2muz
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "*HEADER DE NOVO PROTEIN 18-SEP-14 2MUZ *TITLE SSNMR STRUCTURE OF A DESIGNED ROCKER PROTEIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DESIGNED ROCKER PROTEIN; *COMPND 3 CHAIN: A, B, C, D; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630 *KEYWDS SSNMR, ROCKER PROTEIN, DE NOVO DESGIN, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR T.WANG, N.JOH, Y.WU, W.F.DEGRADO, M.HONG *REVDAT 1 24-DEC-14 2MUZ 0"
save_
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