NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
627120 |
6fce   |
34222 | cing | 3-converted-DOCR | STAR | entry | full | 44 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6fce
# This DOCR archive file contains, for PDB entry <6fce>:
#
# - 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_6fce
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6fce"
_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 6fce"
_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 6fce "Master copy" rr_6fce
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6fce
_Assembly.ID 1
_Assembly.Name 6fce
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 886.9861
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 "ACP HIS DPHE ARG TRP ASP NH2" 1 $ACP_HIS_DPHE_ARG_TRP_ASP_NH2 A . no . . . . . . rr_6fce 1
stop_
save_
save_ACP_HIS_DPHE_ARG_TRP_ASP_NH2
_Entity.Sf_category entity
_Entity.Sf_framecode ACP_HIS_DPHE_ARG_TRP_ASP_NH2
_Entity.Entry_ID rr_6fce
_Entity.ID 1
_Entity.Name ACP_HIS_DPHE_ARG_TRP_ASP_NH2
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code XHXRWDX
_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 7
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 886.9861
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 . AC5 . rr_6fce 1
2 . HIS . rr_6fce 1
3 . . . rr_6fce 1
4 . ARG . rr_6fce 1
5 . TRP . rr_6fce 1
6 . ASP . rr_6fce 1
7 . NH2 . rr_6fce 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
. AC5 1 1 rr_6fce 1
. HIS 2 2 rr_6fce 1
. . 3 3 rr_6fce 1
. ARG 4 4 rr_6fce 1
. TRP 5 5 rr_6fce 1
. ASP 6 6 rr_6fce 1
. NH2 7 7 rr_6fce 1
stop_
save_
save_chem_comp_AC5
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_AC5
_Chem_comp.Entry_ID rr_6fce
_Chem_comp.ID AC5
_Chem_comp.Name "1-AMINOCYCLOPENTANECARBOXYLIC ACID"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code AC5
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C6 H11 N O2"
_Chem_comp.Formula_weight 129.1584
save_
save_chem_comp_DPN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DPN
_Chem_comp.Entry_ID rr_6fce
_Chem_comp.ID 1
_Chem_comp.Name Dpn
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C9 H9 N O"
_Chem_comp.Formula_weight 147.1762
save_
save_chem_comp_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NH2
_Chem_comp.Entry_ID rr_6fce
_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_6fce
_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 10
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_6fce
_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_6fce 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_6fce 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 AC5 C C -1.011 -4.404 2.323 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 C . . . . . . . . . rr_6fce 1
. 1 . 2 . 1 1 1 AC5 CA C -0.297 -5.290 1.209 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CA . . . . . . . . . rr_6fce 1
. 1 . 3 . 1 1 1 AC5 CB1 C -1.287 -6.145 0.389 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB1 . . . . . . . . . rr_6fce 1
. 1 . 4 . 1 1 1 AC5 CB2 C 0.514 -6.420 1.894 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB2 . . . . . . . . . rr_6fce 1
. 1 . 5 . 1 1 1 AC5 CG1 C -0.631 -7.486 0.017 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG1 . . . . . . . . . rr_6fce 1
. 1 . 6 . 1 1 1 AC5 CG2 C 0.570 -7.638 0.956 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG2 . . . . . . . . . rr_6fce 1
. 1 . 7 . 1 1 1 AC5 HB11 H -1.653 -5.583 -0.489 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB11 . . . . . . . . . rr_6fce 1
. 1 . 8 . 1 1 1 AC5 HB12 H -2.177 -6.343 1.005 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB12 . . . . . . . . . rr_6fce 1
. 1 . 9 . 1 1 1 AC5 HB21 H 0.008 -6.736 2.829 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB21 . . . . . . . . . rr_6fce 1
. 1 . 10 . 1 1 1 AC5 HB22 H 1.521 -6.085 2.215 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB22 . . . . . . . . . rr_6fce 1
. 1 . 11 . 1 1 1 AC5 HG11 H -1.345 -8.326 0.119 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG11 . . . . . . . . . rr_6fce 1
. 1 . 12 . 1 1 1 AC5 HG12 H -0.300 -7.482 -1.039 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG12 . . . . . . . . . rr_6fce 1
. 1 . 13 . 1 1 1 AC5 HG21 H 1.513 -7.639 0.376 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG21 . . . . . . . . . rr_6fce 1
. 1 . 14 . 1 1 1 AC5 HG22 H 0.546 -8.593 1.516 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG22 . . . . . . . . . rr_6fce 1
. 1 . 15 . 1 1 1 AC5 N N 0.636 -4.615 0.232 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 N . . . . . . . . . rr_6fce 1
. 1 . 16 . 1 1 1 AC5 O O -2.100 -4.714 2.817 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 O . . . . . . . . . rr_6fce 1
. 1 . 17 . 1 1 2 HIS C C -1.362 -0.938 3.092 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . rr_6fce 1
. 1 . 18 . 1 1 2 HIS CA C -0.885 -2.314 3.694 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . rr_6fce 1
. 1 . 19 . 1 1 2 HIS CB C 0.229 -2.165 4.774 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . rr_6fce 1
. 1 . 20 . 1 1 2 HIS CD2 C -0.672 -2.506 7.169 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . rr_6fce 1
. 1 . 21 . 1 1 2 HIS CE1 C -0.687 -0.521 7.838 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . rr_6fce 1
. 1 . 22 . 1 1 2 HIS CG C -0.231 -1.673 6.138 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . rr_6fce 1
. 1 . 23 . 1 1 2 HIS H H 0.409 -3.177 2.054 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . rr_6fce 1
. 1 . 24 . 1 1 2 HIS HA H -1.788 -2.723 4.185 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . rr_6fce 1
. 1 . 25 . 1 1 2 HIS HB2 H 0.745 -3.129 4.946 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . rr_6fce 1
. 1 . 26 . 1 1 2 HIS HB3 H 1.029 -1.503 4.408 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . rr_6fce 1
. 1 . 27 . 1 1 2 HIS HD1 H -0.030 0.491 6.025 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . rr_6fce 1
. 1 . 28 . 1 1 2 HIS HD2 H -0.734 -3.579 7.070 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . rr_6fce 1
. 1 . 29 . 1 1 2 HIS HE1 H -0.845 0.338 8.476 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . rr_6fce 1
. 1 . 30 . 1 1 2 HIS N N -0.348 -3.322 2.728 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . rr_6fce 1
. 1 . 31 . 1 1 2 HIS ND1 N -0.212 -0.362 6.563 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . rr_6fce 1
. 1 . 32 . 1 1 2 HIS NE2 N -0.986 -1.776 8.307 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . rr_6fce 1
. 1 . 33 . 1 1 2 HIS O O -1.830 -0.075 3.840 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . rr_6fce 1
. 1 . 34 . 1 1 3 . C C -0.304 0.943 0.164 . . . 1.0 . . . . . . . . . . . . A . 7 DPN C . . . . . . . . . rr_6fce 1
. 1 . 35 . 1 1 3 . CA C -1.493 0.608 1.124 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CA . . . . . . . . . rr_6fce 1
. 1 . 36 . 1 1 3 . CB C -2.867 0.562 0.409 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CB . . . . . . . . . rr_6fce 1
. 1 . 37 . 1 1 3 . CD1 C -4.029 2.794 0.799 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD1 . . . . . . . . . rr_6fce 1
. 1 . 38 . 1 1 3 . CD2 C -3.171 2.323 -1.409 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD2 . . . . . . . . . rr_6fce 1
. 1 . 39 . 1 1 3 . CE1 C -4.465 4.044 0.363 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE1 . . . . . . . . . rr_6fce 1
. 1 . 40 . 1 1 3 . CE2 C -3.607 3.574 -1.844 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE2 . . . . . . . . . rr_6fce 1
. 1 . 41 . 1 1 3 . CG C -3.378 1.926 -0.084 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CG . . . . . . . . . rr_6fce 1
. 1 . 42 . 1 1 3 . CZ C -4.252 4.431 -0.957 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CZ . . . . . . . . . rr_6fce 1
. 1 . 43 . 1 1 3 . H H -0.972 -1.548 1.241 . . . 1.0 . . . . . . . . . . . . A . 7 DPN H . . . . . . . . . rr_6fce 1
. 1 . 44 . 1 1 3 . HA H -1.552 1.395 1.905 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HA . . . . . . . . . rr_6fce 1
. 1 . 45 . 1 1 3 . HB2 H -2.810 -0.157 -0.427 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB2 . . . . . . . . . rr_6fce 1
. 1 . 46 . 1 1 3 . HB3 H -3.629 0.126 1.087 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB3 . . . . . . . . . rr_6fce 1
. 1 . 47 . 1 1 3 . HD1 H -4.197 2.505 1.828 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD1 . . . . . . . . . rr_6fce 1
. 1 . 48 . 1 1 3 . HD2 H -2.665 1.667 -2.103 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD2 . . . . . . . . . rr_6fce 1
. 1 . 49 . 1 1 3 . HE1 H -4.968 4.711 1.047 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE1 . . . . . . . . . rr_6fce 1
. 1 . 50 . 1 1 3 . HE2 H -3.444 3.876 -2.869 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE2 . . . . . . . . . rr_6fce 1
. 1 . 51 . 1 1 3 . HZ H -4.593 5.400 -1.297 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HZ . . . . . . . . . rr_6fce 1
. 1 . 52 . 1 1 3 . N N -1.239 -0.708 1.773 . . . 1.0 . . . . . . . . . . . . A . 7 DPN N . . . . . . . . . rr_6fce 1
. 1 . 53 . 1 1 3 . O O 0.143 0.113 -0.635 . . . 1.0 . . . . . . . . . . . . A . 7 DPN O . . . . . . . . . rr_6fce 1
. 1 . 54 . 1 1 4 ARG C C 2.791 1.626 -0.223 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . rr_6fce 1
. 1 . 55 . 1 1 4 ARG CA C 1.536 2.559 -0.385 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . rr_6fce 1
. 1 . 56 . 1 1 4 ARG CB C 1.845 4.041 -0.026 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . rr_6fce 1
. 1 . 57 . 1 1 4 ARG CD C 2.668 5.780 1.706 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . rr_6fce 1
. 1 . 58 . 1 1 4 ARG CG C 2.161 4.346 1.461 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . rr_6fce 1
. 1 . 59 . 1 1 4 ARG CZ C 4.062 5.671 3.801 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . rr_6fce 1
. 1 . 60 . 1 1 4 ARG H H -0.297 2.808 0.862 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . rr_6fce 1
. 1 . 61 . 1 1 4 ARG HA H 1.329 2.531 -1.464 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . rr_6fce 1
. 1 . 62 . 1 1 4 ARG HB2 H 2.691 4.375 -0.658 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . rr_6fce 1
. 1 . 63 . 1 1 4 ARG HB3 H 0.996 4.670 -0.349 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . rr_6fce 1
. 1 . 64 . 1 1 4 ARG HD2 H 3.555 6.008 1.076 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . rr_6fce 1
. 1 . 65 . 1 1 4 ARG HD3 H 1.900 6.502 1.362 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . rr_6fce 1
. 1 . 66 . 1 1 4 ARG HE H 2.265 6.511 3.738 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . rr_6fce 1
. 1 . 67 . 1 1 4 ARG HG2 H 1.257 4.160 2.071 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . rr_6fce 1
. 1 . 68 . 1 1 4 ARG HG3 H 2.910 3.624 1.835 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . rr_6fce 1
. 1 . 69 . 1 1 4 ARG HH11 H 5.859 4.766 3.818 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . rr_6fce 1
. 1 . 70 . 1 1 4 ARG HH12 H 4.888 4.775 2.267 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . rr_6fce 1
. 1 . 71 . 1 1 4 ARG HH21 H 3.399 6.522 5.470 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . rr_6fce 1
. 1 . 72 . 1 1 4 ARG HH22 H 5.038 5.731 5.530 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . rr_6fce 1
. 1 . 73 . 1 1 4 ARG N N 0.255 2.158 0.294 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . rr_6fce 1
. 1 . 74 . 1 1 4 ARG NE N 2.946 6.018 3.153 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . rr_6fce 1
. 1 . 75 . 1 1 4 ARG NH1 N 5.049 5.013 3.246 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . rr_6fce 1
. 1 . 76 . 1 1 4 ARG NH2 N 4.174 6.000 5.056 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . rr_6fce 1
. 1 . 77 . 1 1 4 ARG O O 3.567 1.422 -1.158 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . rr_6fce 1
. 1 . 78 . 1 1 5 TRP C C 3.931 -1.304 0.369 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_6fce 1
. 1 . 79 . 1 1 5 TRP CA C 3.868 -0.057 1.320 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_6fce 1
. 1 . 80 . 1 1 5 TRP CB C 3.486 -0.519 2.754 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_6fce 1
. 1 . 81 . 1 1 5 TRP CD1 C 4.662 0.879 4.688 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_6fce 1
. 1 . 82 . 1 1 5 TRP CD2 C 2.536 1.336 4.287 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_6fce 1
. 1 . 83 . 1 1 5 TRP CE2 C 2.988 2.166 5.334 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_6fce 1
. 1 . 84 . 1 1 5 TRP CE3 C 1.226 1.446 3.792 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_6fce 1
. 1 . 85 . 1 1 5 TRP CG C 3.564 0.524 3.884 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_6fce 1
. 1 . 86 . 1 1 5 TRP CH2 C 0.802 3.215 5.403 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_6fce 1
. 1 . 87 . 1 1 5 TRP CZ2 C 2.104 3.116 5.911 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_6fce 1
. 1 . 88 . 1 1 5 TRP CZ3 C 0.374 2.392 4.351 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_6fce 1
. 1 . 89 . 1 1 5 TRP H H 2.152 1.292 1.592 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_6fce 1
. 1 . 90 . 1 1 5 TRP HA H 4.883 0.373 1.380 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_6fce 1
. 1 . 91 . 1 1 5 TRP HB2 H 2.470 -0.957 2.730 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_6fce 1
. 1 . 92 . 1 1 5 TRP HB3 H 4.097 -1.370 3.052 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_6fce 1
. 1 . 93 . 1 1 5 TRP HD1 H 5.641 0.427 4.594 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_6fce 1
. 1 . 94 . 1 1 5 TRP HE1 H 4.890 2.264 6.384 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_6fce 1
. 1 . 95 . 1 1 5 TRP HE3 H 0.919 0.803 2.983 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_6fce 1
. 1 . 96 . 1 1 5 TRP HH2 H 0.114 3.932 5.826 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_6fce 1
. 1 . 97 . 1 1 5 TRP HZ2 H 2.432 3.752 6.719 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_6fce 1
. 1 . 98 . 1 1 5 TRP HZ3 H -0.622 2.457 3.945 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_6fce 1
. 1 . 99 . 1 1 5 TRP N N 2.924 1.039 0.970 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_6fce 1
. 1 . 100 . 1 1 5 TRP NE1 N 4.324 1.903 5.606 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_6fce 1
. 1 . 101 . 1 1 5 TRP O O 4.996 -1.908 0.236 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_6fce 1
. 1 . 102 . 1 1 6 ASP C C 3.592 -2.574 -2.598 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_6fce 1
. 1 . 103 . 1 1 6 ASP CA C 2.779 -2.797 -1.278 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_6fce 1
. 1 . 104 . 1 1 6 ASP CB C 1.294 -3.133 -1.619 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_6fce 1
. 1 . 105 . 1 1 6 ASP CG C 0.332 -3.523 -0.484 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_6fce 1
. 1 . 106 . 1 1 6 ASP H H 2.003 -1.073 -0.127 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_6fce 1
. 1 . 107 . 1 1 6 ASP HA H 3.233 -3.692 -0.810 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_6fce 1
. 1 . 108 . 1 1 6 ASP HB2 H 0.843 -2.268 -2.144 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_6fce 1
. 1 . 109 . 1 1 6 ASP HB3 H 1.261 -3.948 -2.366 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_6fce 1
. 1 . 110 . 1 1 6 ASP N N 2.811 -1.691 -0.276 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_6fce 1
. 1 . 111 . 1 1 6 ASP O O 4.116 -3.522 -3.177 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_6fce 1
. 1 . 112 . 1 1 6 ASP OD1 O -0.672 -2.847 -0.275 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_6fce 1
. 1 . 113 . 1 1 7 NH2 HN1 H 4.372 -1.391 -3.943 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . rr_6fce 1
. 1 . 114 . 1 1 7 NH2 HN2 H 3.466 -0.583 -2.561 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . rr_6fce 1
. 1 . 115 . 1 1 7 NH2 N N 3.728 -1.382 -3.149 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . rr_6fce 1
. 2 . 116 . 1 1 1 AC5 C C -0.801 -4.440 2.488 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 C . . . . . . . . . rr_6fce 1
. 2 . 117 . 1 1 1 AC5 CA C -0.167 -5.285 1.287 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CA . . . . . . . . . rr_6fce 1
. 2 . 118 . 1 1 1 AC5 CB1 C -1.253 -6.051 0.477 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB1 . . . . . . . . . rr_6fce 1
. 2 . 119 . 1 1 1 AC5 CB2 C 0.671 -6.450 1.890 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB2 . . . . . . . . . rr_6fce 1
. 2 . 120 . 1 1 1 AC5 CG1 C -1.125 -7.549 0.781 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG1 . . . . . . . . . rr_6fce 1
. 2 . 121 . 1 1 1 AC5 CG2 C 0.358 -7.720 1.088 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG2 . . . . . . . . . rr_6fce 1
. 2 . 122 . 1 1 1 AC5 HB11 H -1.142 -5.881 -0.610 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB11 . . . . . . . . . rr_6fce 1
. 2 . 123 . 1 1 1 AC5 HB12 H -2.265 -5.672 0.709 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB12 . . . . . . . . . rr_6fce 1
. 2 . 124 . 1 1 1 AC5 HB21 H 0.376 -6.638 2.943 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB21 . . . . . . . . . rr_6fce 1
. 2 . 125 . 1 1 1 AC5 HB22 H 1.756 -6.235 1.952 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB22 . . . . . . . . . rr_6fce 1
. 2 . 126 . 1 1 1 AC5 HG11 H -1.740 -7.818 1.664 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG11 . . . . . . . . . rr_6fce 1
. 2 . 127 . 1 1 1 AC5 HG12 H -1.468 -8.189 -0.056 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG12 . . . . . . . . . rr_6fce 1
. 2 . 128 . 1 1 1 AC5 HG21 H 0.954 -7.763 0.154 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG21 . . . . . . . . . rr_6fce 1
. 2 . 129 . 1 1 1 AC5 HG22 H 0.572 -8.650 1.652 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG22 . . . . . . . . . rr_6fce 1
. 2 . 130 . 1 1 1 AC5 N N 0.757 -4.618 0.294 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 N . . . . . . . . . rr_6fce 1
. 2 . 131 . 1 1 1 AC5 O O -1.747 -4.868 3.155 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 O . . . . . . . . . rr_6fce 1
. 2 . 132 . 1 1 2 HIS C C -1.255 -0.903 3.262 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . rr_6fce 1
. 2 . 133 . 1 1 2 HIS CA C -0.756 -2.305 3.797 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . rr_6fce 1
. 2 . 134 . 1 1 2 HIS CB C 0.395 -2.201 4.845 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . rr_6fce 1
. 2 . 135 . 1 1 2 HIS CD2 C -0.030 -2.733 7.343 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . rr_6fce 1
. 2 . 136 . 1 1 2 HIS CE1 C -0.601 -0.831 8.015 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . rr_6fce 1
. 2 . 137 . 1 1 2 HIS CG C -0.012 -1.840 6.266 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . rr_6fce 1
. 2 . 138 . 1 1 2 HIS H H 0.365 -3.044 1.971 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . rr_6fce 1
. 2 . 139 . 1 1 2 HIS HA H -1.647 -2.734 4.295 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . rr_6fce 1
. 2 . 140 . 1 1 2 HIS HB2 H 0.953 -3.158 4.914 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . rr_6fce 1
. 2 . 141 . 1 1 2 HIS HB3 H 1.156 -1.484 4.507 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . rr_6fce 1
. 2 . 142 . 1 1 2 HIS HD1 H -0.665 0.207 6.112 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . rr_6fce 1
. 2 . 143 . 1 1 2 HIS HD2 H 0.224 -3.780 7.253 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . rr_6fce 1
. 2 . 144 . 1 1 2 HIS HE1 H -0.992 -0.057 8.662 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . rr_6fce 1
. 2 . 145 . 1 1 2 HIS N N -0.237 -3.267 2.769 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . rr_6fce 1
. 2 . 146 . 1 1 2 HIS ND1 N -0.349 -0.577 6.694 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . rr_6fce 1
. 2 . 147 . 1 1 2 HIS NE2 N -0.415 -2.095 8.514 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . rr_6fce 1
. 2 . 148 . 1 1 2 HIS O O -1.633 -0.034 4.052 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . rr_6fce 1
. 2 . 149 . 1 1 3 . C C -0.322 1.048 0.358 . . . 1.0 . . . . . . . . . . . . A . 7 DPN C . . . . . . . . . rr_6fce 1
. 2 . 150 . 1 1 3 . CA C -1.492 0.687 1.339 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CA . . . . . . . . . rr_6fce 1
. 2 . 151 . 1 1 3 . CB C -2.888 0.670 0.667 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CB . . . . . . . . . rr_6fce 1
. 2 . 152 . 1 1 3 . CD1 C -3.218 2.485 -1.092 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD1 . . . . . . . . . rr_6fce 1
. 2 . 153 . 1 1 3 . CD2 C -4.021 2.900 1.148 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD2 . . . . . . . . . rr_6fce 1
. 2 . 154 . 1 1 3 . CE1 C -3.652 3.752 -1.481 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE1 . . . . . . . . . rr_6fce 1
. 2 . 155 . 1 1 3 . CE2 C -4.457 4.164 0.757 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE2 . . . . . . . . . rr_6fce 1
. 2 . 156 . 1 1 3 . CG C -3.398 2.052 0.226 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CG . . . . . . . . . rr_6fce 1
. 2 . 157 . 1 1 3 . CZ C -4.270 4.589 -0.556 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CZ . . . . . . . . . rr_6fce 1
. 2 . 158 . 1 1 3 . H H -1.009 -1.480 1.383 . . . 1.0 . . . . . . . . . . . . A . 7 DPN H . . . . . . . . . rr_6fce 1
. 2 . 159 . 1 1 3 . HA H -1.524 1.455 2.142 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HA . . . . . . . . . rr_6fce 1
. 2 . 160 . 1 1 3 . HB2 H -2.866 -0.027 -0.189 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB2 . . . . . . . . . rr_6fce 1
. 2 . 161 . 1 1 3 . HB3 H -3.633 0.225 1.356 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB3 . . . . . . . . . rr_6fce 1
. 2 . 162 . 1 1 3 . HD1 H -2.741 1.842 -1.819 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD1 . . . . . . . . . rr_6fce 1
. 2 . 163 . 1 1 3 . HD2 H -4.178 2.576 2.169 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD2 . . . . . . . . . rr_6fce 1
. 2 . 164 . 1 1 3 . HE1 H -3.520 4.078 -2.503 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE1 . . . . . . . . . rr_6fce 1
. 2 . 165 . 1 1 3 . HE2 H -4.949 4.812 1.469 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE2 . . . . . . . . . rr_6fce 1
. 2 . 166 . 1 1 3 . HZ H -4.620 5.566 -0.862 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HZ . . . . . . . . . rr_6fce 1
. 2 . 167 . 1 1 3 . N N -1.239 -0.649 1.944 . . . 1.0 . . . . . . . . . . . . A . 7 DPN N . . . . . . . . . rr_6fce 1
. 2 . 168 . 1 1 3 . O O 0.137 0.231 -0.447 . . . 1.0 . . . . . . . . . . . . A . 7 DPN O . . . . . . . . . rr_6fce 1
. 2 . 169 . 1 1 4 ARG C C 2.800 1.784 -0.046 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . rr_6fce 1
. 2 . 170 . 1 1 4 ARG CA C 1.505 2.675 -0.196 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . rr_6fce 1
. 2 . 171 . 1 1 4 ARG CB C 1.794 4.151 0.196 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . rr_6fce 1
. 2 . 172 . 1 1 4 ARG CD C 2.958 5.683 1.935 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . rr_6fce 1
. 2 . 173 . 1 1 4 ARG CG C 2.108 4.421 1.694 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . rr_6fce 1
. 2 . 174 . 1 1 4 ARG CZ C 4.370 5.126 3.943 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . rr_6fce 1
. 2 . 175 . 1 1 4 ARG H H -0.363 2.915 1.016 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . rr_6fce 1
. 2 . 176 . 1 1 4 ARG HA H 1.300 2.652 -1.277 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . rr_6fce 1
. 2 . 177 . 1 1 4 ARG HB2 H 2.635 4.495 -0.437 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . rr_6fce 1
. 2 . 178 . 1 1 4 ARG HB3 H 0.944 4.783 -0.119 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . rr_6fce 1
. 2 . 179 . 1 1 4 ARG HD2 H 3.840 5.709 1.259 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . rr_6fce 1
. 2 . 180 . 1 1 4 ARG HD3 H 2.369 6.579 1.644 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . rr_6fce 1
. 2 . 181 . 1 1 4 ARG HE H 2.886 6.435 4.003 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . rr_6fce 1
. 2 . 182 . 1 1 4 ARG HG2 H 1.159 4.477 2.263 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . rr_6fce 1
. 2 . 183 . 1 1 4 ARG HG3 H 2.625 3.543 2.121 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . rr_6fce 1
. 2 . 184 . 1 1 4 ARG HH11 H 5.799 3.725 3.862 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . rr_6fce 1
. 2 . 185 . 1 1 4 ARG HH12 H 4.828 4.082 2.352 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . rr_6fce 1
. 2 . 186 . 1 1 4 ARG HH21 H 5.385 4.823 5.610 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . rr_6fce 1
. 2 . 187 . 1 1 4 ARG HH22 H 4.044 6.056 5.658 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . rr_6fce 1
. 2 . 188 . 1 1 4 ARG N N 0.229 2.265 0.491 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . rr_6fce 1
. 2 . 189 . 1 1 4 ARG NE N 3.370 5.792 3.367 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . rr_6fce 1
. 2 . 190 . 1 1 4 ARG NH1 N 5.103 4.244 3.323 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . rr_6fce 1
. 2 . 191 . 1 1 4 ARG NH2 N 4.626 5.363 5.188 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . rr_6fce 1
. 2 . 192 . 1 1 4 ARG O O 3.700 1.801 -0.883 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . rr_6fce 1
. 2 . 193 . 1 1 5 TRP C C 3.984 -1.224 0.336 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_6fce 1
. 2 . 194 . 1 1 5 TRP CA C 3.876 -0.019 1.340 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_6fce 1
. 2 . 195 . 1 1 5 TRP CB C 3.519 -0.548 2.758 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_6fce 1
. 2 . 196 . 1 1 5 TRP CD1 C 4.753 0.657 4.778 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_6fce 1
. 2 . 197 . 1 1 5 TRP CD2 C 2.655 1.251 4.406 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_6fce 1
. 2 . 198 . 1 1 5 TRP CE2 C 3.133 1.952 5.532 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_6fce 1
. 2 . 199 . 1 1 5 TRP CE3 C 1.345 1.442 3.938 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_6fce 1
. 2 . 200 . 1 1 5 TRP CG C 3.649 0.433 3.935 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_6fce 1
. 2 . 201 . 1 1 5 TRP CH2 C 0.973 3.041 5.726 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_6fce 1
. 2 . 202 . 1 1 5 TRP CZ2 C 2.274 2.851 6.217 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_6fce 1
. 2 . 203 . 1 1 5 TRP CZ3 C 0.524 2.347 4.594 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_6fce 1
. 2 . 204 . 1 1 5 TRP H H 1.984 1.093 1.566 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_6fce 1
. 2 . 205 . 1 1 5 TRP HA H 4.875 0.448 1.407 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_6fce 1
. 2 . 206 . 1 1 5 TRP HB2 H 2.497 -0.978 2.741 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_6fce 1
. 2 . 207 . 1 1 5 TRP HB3 H 4.126 -1.425 2.994 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_6fce 1
. 2 . 208 . 1 1 5 TRP HD1 H 5.689 0.126 4.674 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_6fce 1
. 2 . 209 . 1 1 5 TRP HE1 H 4.946 1.718 6.682 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_6fce 1
. 2 . 210 . 1 1 5 TRP HE3 H 1.006 0.870 3.088 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_6fce 1
. 2 . 211 . 1 1 5 TRP HH2 H 0.296 3.713 6.233 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_6fce 1
. 2 . 212 . 1 1 5 TRP HZ2 H 2.611 3.373 7.100 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_6fce 1
. 2 . 213 . 1 1 5 TRP HZ3 H -0.476 2.467 4.207 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_6fce 1
. 2 . 214 . 1 1 5 TRP N N 2.864 1.035 1.051 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_6fce 1
. 2 . 215 . 1 1 5 TRP NE1 N 4.460 1.615 5.783 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_6fce 1
. 2 . 216 . 1 1 5 TRP O O 5.062 -1.808 0.220 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_6fce 1
. 2 . 217 . 1 1 6 ASP C C 3.700 -2.697 -2.594 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_6fce 1
. 2 . 218 . 1 1 6 ASP CA C 2.875 -2.800 -1.264 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_6fce 1
. 2 . 219 . 1 1 6 ASP CB C 1.392 -3.160 -1.569 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_6fce 1
. 2 . 220 . 1 1 6 ASP CG C 0.462 -3.516 -0.402 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_6fce 1
. 2 . 221 . 1 1 6 ASP H H 2.057 -1.045 -0.187 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_6fce 1
. 2 . 222 . 1 1 6 ASP HA H 3.332 -3.657 -0.729 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_6fce 1
. 2 . 223 . 1 1 6 ASP HB2 H 0.922 -2.325 -2.123 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_6fce 1
. 2 . 224 . 1 1 6 ASP HB3 H 1.354 -4.005 -2.283 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_6fce 1
. 2 . 225 . 1 1 6 ASP N N 2.893 -1.620 -0.346 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_6fce 1
. 2 . 226 . 1 1 6 ASP O O 4.203 -3.696 -3.100 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_6fce 1
. 2 . 227 . 1 1 6 ASP OD1 O -0.503 -2.803 -0.145 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_6fce 1
. 2 . 228 . 1 1 7 NH2 HN1 H 4.523 -1.654 -4.017 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . rr_6fce 1
. 2 . 229 . 1 1 7 NH2 HN2 H 3.625 -0.713 -2.713 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . rr_6fce 1
. 2 . 230 . 1 1 7 NH2 N N 3.866 -1.560 -3.237 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . rr_6fce 1
. 3 . 231 . 1 1 1 AC5 C C -1.160 -4.349 2.199 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 C . . . . . . . . . rr_6fce 1
. 3 . 232 . 1 1 1 AC5 CA C -0.394 -5.246 1.124 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CA . . . . . . . . . rr_6fce 1
. 3 . 233 . 1 1 1 AC5 CB1 C -1.366 -6.079 0.265 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB1 . . . . . . . . . rr_6fce 1
. 3 . 234 . 1 1 1 AC5 CB2 C 0.373 -6.401 1.821 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB2 . . . . . . . . . rr_6fce 1
. 3 . 235 . 1 1 1 AC5 CG1 C -1.718 -7.368 1.027 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG1 . . . . . . . . . rr_6fce 1
. 3 . 236 . 1 1 1 AC5 CG2 C -0.654 -7.505 2.120 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG2 . . . . . . . . . rr_6fce 1
. 3 . 237 . 1 1 1 AC5 HB11 H -0.888 -6.344 -0.693 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB11 . . . . . . . . . rr_6fce 1
. 3 . 238 . 1 1 1 AC5 HB12 H -2.251 -5.470 0.007 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB12 . . . . . . . . . rr_6fce 1
. 3 . 239 . 1 1 1 AC5 HB21 H 0.900 -6.069 2.736 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB21 . . . . . . . . . rr_6fce 1
. 3 . 240 . 1 1 1 AC5 HB22 H 1.155 -6.835 1.166 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB22 . . . . . . . . . rr_6fce 1
. 3 . 241 . 1 1 1 AC5 HG11 H -2.728 -7.298 1.476 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG11 . . . . . . . . . rr_6fce 1
. 3 . 242 . 1 1 1 AC5 HG12 H -1.730 -8.245 0.351 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG12 . . . . . . . . . rr_6fce 1
. 3 . 243 . 1 1 1 AC5 HG21 H -0.195 -8.512 2.144 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG21 . . . . . . . . . rr_6fce 1
. 3 . 244 . 1 1 1 AC5 HG22 H -1.111 -7.342 3.117 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG22 . . . . . . . . . rr_6fce 1
. 3 . 245 . 1 1 1 AC5 N N 0.580 -4.562 0.194 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 N . . . . . . . . . rr_6fce 1
. 3 . 246 . 1 1 1 AC5 O O -2.323 -4.566 2.552 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 O . . . . . . . . . rr_6fce 1
. 3 . 247 . 1 1 2 HIS C C -1.470 -0.941 3.003 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . rr_6fce 1
. 3 . 248 . 1 1 2 HIS CA C -1.012 -2.308 3.631 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . rr_6fce 1
. 3 . 249 . 1 1 2 HIS CB C 0.079 -2.083 4.716 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . rr_6fce 1
. 3 . 250 . 1 1 2 HIS CD2 C 1.361 -4.082 5.767 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . rr_6fce 1
. 3 . 251 . 1 1 2 HIS CE1 C 0.026 -4.590 7.301 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . rr_6fce 1
. 3 . 252 . 1 1 2 HIS CG C 0.266 -3.211 5.728 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . rr_6fce 1
. 3 . 253 . 1 1 2 HIS H H 0.402 -3.247 2.157 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . rr_6fce 1
. 3 . 254 . 1 1 2 HIS HA H -1.920 -2.696 4.125 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . rr_6fce 1
. 3 . 255 . 1 1 2 HIS HB2 H 1.047 -1.835 4.243 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . rr_6fce 1
. 3 . 256 . 1 1 2 HIS HB3 H -0.154 -1.178 5.288 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . rr_6fce 1
. 3 . 257 . 1 1 2 HIS HD1 H -1.524 -3.096 6.972 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . rr_6fce 1
. 3 . 258 . 1 1 2 HIS HD2 H 2.191 -4.029 5.083 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . rr_6fce 1
. 3 . 259 . 1 1 2 HIS HE1 H -0.408 -5.111 8.145 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . rr_6fce 1
. 3 . 260 . 1 1 2 HIS N N -0.457 -3.336 2.703 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . rr_6fce 1
. 3 . 261 . 1 1 2 HIS ND1 N -0.623 -3.522 6.737 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . rr_6fce 1
. 3 . 262 . 1 1 2 HIS NE2 N 1.232 -5.008 6.795 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . rr_6fce 1
. 3 . 263 . 1 1 2 HIS O O -1.968 -0.084 3.737 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . rr_6fce 1
. 3 . 264 . 1 1 3 . C C -0.286 0.949 0.132 . . . 1.0 . . . . . . . . . . . . A . 7 DPN C . . . . . . . . . rr_6fce 1
. 3 . 265 . 1 1 3 . CA C -1.514 0.612 1.040 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CA . . . . . . . . . rr_6fce 1
. 3 . 266 . 1 1 3 . CB C -2.857 0.571 0.268 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CB . . . . . . . . . rr_6fce 1
. 3 . 267 . 1 1 3 . CD1 C -3.076 2.328 -1.566 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD1 . . . . . . . . . rr_6fce 1
. 3 . 268 . 1 1 3 . CD2 C -4.029 2.807 0.602 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD2 . . . . . . . . . rr_6fce 1
. 3 . 269 . 1 1 3 . CE1 C -3.488 3.578 -2.022 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE1 . . . . . . . . . rr_6fce 1
. 3 . 270 . 1 1 3 . CE2 C -4.442 4.056 0.143 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE2 . . . . . . . . . rr_6fce 1
. 3 . 271 . 1 1 3 . CG C -3.341 1.935 -0.249 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CG . . . . . . . . . rr_6fce 1
. 3 . 272 . 1 1 3 . CZ C -4.170 4.441 -1.168 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CZ . . . . . . . . . rr_6fce 1
. 3 . 273 . 1 1 3 . H H -1.024 -1.550 1.163 . . . 1.0 . . . . . . . . . . . . A . 7 DPN H . . . . . . . . . rr_6fce 1
. 3 . 274 . 1 1 3 . HA H -1.605 1.396 1.823 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HA . . . . . . . . . rr_6fce 1
. 3 . 275 . 1 1 3 . HB2 H -2.764 -0.150 -0.565 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB2 . . . . . . . . . rr_6fce 1
. 3 . 276 . 1 1 3 . HB3 H -3.648 0.138 0.913 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB3 . . . . . . . . . rr_6fce 1
. 3 . 277 . 1 1 3 . HD1 H -2.541 1.670 -2.236 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD1 . . . . . . . . . rr_6fce 1
. 3 . 278 . 1 1 3 . HD2 H -4.243 2.519 1.622 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD2 . . . . . . . . . rr_6fce 1
. 3 . 279 . 1 1 3 . HE1 H -3.280 3.878 -3.039 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE1 . . . . . . . . . rr_6fce 1
. 3 . 280 . 1 1 3 . HE2 H -4.973 4.727 0.805 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE2 . . . . . . . . . rr_6fce 1
. 3 . 281 . 1 1 3 . HZ H -4.494 5.410 -1.522 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HZ . . . . . . . . . rr_6fce 1
. 3 . 282 . 1 1 3 . N N -1.289 -0.707 1.692 . . . 1.0 . . . . . . . . . . . . A . 7 DPN N . . . . . . . . . rr_6fce 1
. 3 . 283 . 1 1 3 . O O 0.174 0.129 -0.671 . . . 1.0 . . . . . . . . . . . . A . 7 DPN O . . . . . . . . . rr_6fce 1
. 3 . 284 . 1 1 4 ARG C C 2.820 1.624 -0.203 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . rr_6fce 1
. 3 . 285 . 1 1 4 ARG CA C 1.569 2.566 -0.352 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . rr_6fce 1
. 3 . 286 . 1 1 4 ARG CB C 1.877 4.039 0.042 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . rr_6fce 1
. 3 . 287 . 1 1 4 ARG CD C 2.663 5.750 1.814 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . rr_6fce 1
. 3 . 288 . 1 1 4 ARG CG C 2.204 4.306 1.534 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . rr_6fce 1
. 3 . 289 . 1 1 4 ARG CZ C 4.110 5.647 3.872 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . rr_6fce 1
. 3 . 290 . 1 1 4 ARG H H -0.279 2.796 0.873 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . rr_6fce 1
. 3 . 291 . 1 1 4 ARG HA H 1.372 2.566 -1.434 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . rr_6fce 1
. 3 . 292 . 1 1 4 ARG HB2 H 2.718 4.392 -0.587 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . rr_6fce 1
. 3 . 293 . 1 1 4 ARG HB3 H 1.024 4.674 -0.259 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . rr_6fce 1
. 3 . 294 . 1 1 4 ARG HD2 H 3.524 6.032 1.173 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . rr_6fce 1
. 3 . 295 . 1 1 4 ARG HD3 H 1.859 6.451 1.511 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . rr_6fce 1
. 3 . 296 . 1 1 4 ARG HE H 2.272 6.394 3.877 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . rr_6fce 1
. 3 . 297 . 1 1 4 ARG HG2 H 1.317 4.069 2.151 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . rr_6fce 1
. 3 . 298 . 1 1 4 ARG HG3 H 2.985 3.599 1.873 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . rr_6fce 1
. 3 . 299 . 1 1 4 ARG HH11 H 5.129 5.710 5.576 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . rr_6fce 1
. 3 . 300 . 1 1 4 ARG HH12 H 3.452 6.420 5.579 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . rr_6fce 1
. 3 . 301 . 1 1 4 ARG HH21 H 5.951 4.834 3.817 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . rr_6fce 1
. 3 . 302 . 1 1 4 ARG HH22 H 4.937 4.833 2.293 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . rr_6fce 1
. 3 . 303 . 1 1 4 ARG N N 0.280 2.156 0.304 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . rr_6fce 1
. 3 . 304 . 1 1 4 ARG NE N 2.962 5.955 3.261 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . rr_6fce 1
. 3 . 305 . 1 1 4 ARG NH1 N 4.240 5.947 5.132 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . rr_6fce 1
. 3 . 306 . 1 1 4 ARG NH2 N 5.114 5.055 3.275 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . rr_6fce 1
. 3 . 307 . 1 1 4 ARG O O 3.605 1.446 -1.136 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . rr_6fce 1
. 3 . 308 . 1 1 5 TRP C C 3.935 -1.331 0.335 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_6fce 1
. 3 . 309 . 1 1 5 TRP CA C 3.890 -0.094 1.300 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_6fce 1
. 3 . 310 . 1 1 5 TRP CB C 3.532 -0.576 2.734 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_6fce 1
. 3 . 311 . 1 1 5 TRP CD1 C 4.699 0.856 4.648 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_6fce 1
. 3 . 312 . 1 1 5 TRP CD2 C 2.551 1.244 4.283 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_6fce 1
. 3 . 313 . 1 1 5 TRP CE2 C 3.001 2.106 5.305 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_6fce 1
. 3 . 314 . 1 1 5 TRP CE3 C 1.234 1.319 3.798 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_6fce 1
. 3 . 315 . 1 1 5 TRP CG C 3.597 0.459 3.871 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_6fce 1
. 3 . 316 . 1 1 5 TRP CH2 C 0.797 3.120 5.371 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_6fce 1
. 3 . 317 . 1 1 5 TRP CZ2 C 2.108 3.055 5.867 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_6fce 1
. 3 . 318 . 1 1 5 TRP CZ3 C 0.374 2.263 4.344 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_6fce 1
. 3 . 319 . 1 1 5 TRP H H 2.170 1.247 1.600 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_6fce 1
. 3 . 320 . 1 1 5 TRP HA H 4.905 0.336 1.348 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_6fce 1
. 3 . 321 . 1 1 5 TRP HB2 H 2.526 -1.036 2.715 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_6fce 1
. 3 . 322 . 1 1 5 TRP HB3 H 4.166 -1.418 3.016 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_6fce 1
. 3 . 323 . 1 1 5 TRP HD1 H 5.692 0.442 4.535 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_6fce 1
. 3 . 324 . 1 1 5 TRP HE1 H 4.920 2.279 6.313 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_6fce 1
. 3 . 325 . 1 1 5 TRP HE3 H 0.934 0.659 2.999 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_6fce 1
. 3 . 326 . 1 1 5 TRP HH2 H 0.103 3.836 5.781 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_6fce 1
. 3 . 327 . 1 1 5 TRP HZ2 H 2.434 3.719 6.654 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_6fce 1
. 3 . 328 . 1 1 5 TRP HZ3 H -0.625 2.309 3.939 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_6fce 1
. 3 . 329 . 1 1 5 TRP N N 2.941 1.005 0.973 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_6fce 1
. 3 . 330 . 1 1 5 TRP NE1 N 4.348 1.883 5.559 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_6fce 1
. 3 . 331 . 1 1 5 TRP O O 4.992 -1.948 0.195 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_6fce 1
. 3 . 332 . 1 1 6 ASP C C 3.576 -2.578 -2.635 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_6fce 1
. 3 . 333 . 1 1 6 ASP CA C 2.754 -2.794 -1.317 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_6fce 1
. 3 . 334 . 1 1 6 ASP CB C 1.267 -3.098 -1.665 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_6fce 1
. 3 . 335 . 1 1 6 ASP CG C 0.284 -3.482 -0.546 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_6fce 1
. 3 . 336 . 1 1 6 ASP H H 2.017 -1.056 -0.158 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_6fce 1
. 3 . 337 . 1 1 6 ASP HA H 3.192 -3.700 -0.857 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_6fce 1
. 3 . 338 . 1 1 6 ASP HB2 H 0.835 -2.218 -2.185 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_6fce 1
. 3 . 339 . 1 1 6 ASP HB3 H 1.219 -3.903 -2.421 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_6fce 1
. 3 . 340 . 1 1 6 ASP N N 2.809 -1.696 -0.310 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_6fce 1
. 3 . 341 . 1 1 6 ASP O O 4.096 -3.530 -3.211 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_6fce 1
. 3 . 342 . 1 1 6 ASP OD1 O -0.740 -2.821 -0.380 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_6fce 1
. 3 . 343 . 1 1 7 NH2 HN1 H 4.371 -1.400 -3.975 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . rr_6fce 1
. 3 . 344 . 1 1 7 NH2 HN2 H 3.463 -0.585 -2.599 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . rr_6fce 1
. 3 . 345 . 1 1 7 NH2 N N 3.723 -1.387 -3.185 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . rr_6fce 1
. 4 . 346 . 1 1 1 AC5 C C -1.029 -4.387 2.343 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 C . . . . . . . . . rr_6fce 1
. 4 . 347 . 1 1 1 AC5 CA C -0.323 -5.273 1.221 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CA . . . . . . . . . rr_6fce 1
. 4 . 348 . 1 1 1 AC5 CB1 C -1.371 -6.047 0.375 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB1 . . . . . . . . . rr_6fce 1
. 4 . 349 . 1 1 1 AC5 CB2 C 0.474 -6.428 1.902 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB2 . . . . . . . . . rr_6fce 1
. 4 . 350 . 1 1 1 AC5 CG1 C -1.398 -7.498 0.866 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG1 . . . . . . . . . rr_6fce 1
. 4 . 351 . 1 1 1 AC5 CG2 C 0.059 -7.749 1.237 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG2 . . . . . . . . . rr_6fce 1
. 4 . 352 . 1 1 1 AC5 HB11 H -1.105 -6.032 -0.698 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB11 . . . . . . . . . rr_6fce 1
. 4 . 353 . 1 1 1 AC5 HB12 H -2.361 -5.560 0.425 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB12 . . . . . . . . . rr_6fce 1
. 4 . 354 . 1 1 1 AC5 HB21 H 0.228 -6.502 2.980 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB21 . . . . . . . . . rr_6fce 1
. 4 . 355 . 1 1 1 AC5 HB22 H 1.573 -6.289 1.889 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB22 . . . . . . . . . rr_6fce 1
. 4 . 356 . 1 1 1 AC5 HG11 H -2.053 -7.596 1.755 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG11 . . . . . . . . . rr_6fce 1
. 4 . 357 . 1 1 1 AC5 HG12 H -1.776 -8.204 0.103 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG12 . . . . . . . . . rr_6fce 1
. 4 . 358 . 1 1 1 AC5 HG21 H 0.668 -7.939 0.329 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG21 . . . . . . . . . rr_6fce 1
. 4 . 359 . 1 1 1 AC5 HG22 H 0.186 -8.623 1.903 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG22 . . . . . . . . . rr_6fce 1
. 4 . 360 . 1 1 1 AC5 N N 0.635 -4.609 0.260 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 N . . . . . . . . . rr_6fce 1
. 4 . 361 . 1 1 1 AC5 O O -2.091 -4.728 2.874 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 O . . . . . . . . . rr_6fce 1
. 4 . 362 . 1 1 2 HIS C C -1.468 -0.897 2.970 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . rr_6fce 1
. 4 . 363 . 1 1 2 HIS CA C -0.971 -2.239 3.620 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . rr_6fce 1
. 4 . 364 . 1 1 2 HIS CB C 0.132 -1.968 4.682 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . rr_6fce 1
. 4 . 365 . 1 1 2 HIS CD2 C 1.454 -3.929 5.756 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . rr_6fce 1
. 4 . 366 . 1 1 2 HIS CE1 C 0.156 -4.407 7.331 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . rr_6fce 1
. 4 . 367 . 1 1 2 HIS CG C 0.351 -3.066 5.719 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . rr_6fce 1
. 4 . 368 . 1 1 2 HIS H H 0.373 -3.110 2.055 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . rr_6fce 1
. 4 . 369 . 1 1 2 HIS HA H -1.864 -2.634 4.135 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . rr_6fce 1
. 4 . 370 . 1 1 2 HIS HB2 H 1.089 -1.720 4.186 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . rr_6fce 1
. 4 . 371 . 1 1 2 HIS HB3 H -0.106 -1.051 5.232 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . rr_6fce 1
. 4 . 372 . 1 1 2 HIS HD1 H -1.414 -2.936 6.996 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . rr_6fce 1
. 4 . 373 . 1 1 2 HIS HD2 H 2.266 -3.892 5.051 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . rr_6fce 1
. 4 . 374 . 1 1 2 HIS HE1 H -0.256 -4.910 8.195 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . rr_6fce 1
. 4 . 375 . 1 1 2 HIS N N -0.404 -3.266 2.699 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . rr_6fce 1
. 4 . 376 . 1 1 2 HIS ND1 N -0.512 -3.358 6.755 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . rr_6fce 1
. 4 . 377 . 1 1 2 HIS NE2 N 1.354 -4.829 6.809 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . rr_6fce 1
. 4 . 378 . 1 1 2 HIS O O -1.947 -0.023 3.697 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . rr_6fce 1
. 4 . 379 . 1 1 3 . C C -0.394 0.963 0.068 . . . 1.0 . . . . . . . . . . . . A . 7 DPN C . . . . . . . . . rr_6fce 1
. 4 . 380 . 1 1 3 . CA C -1.619 0.594 0.963 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CA . . . . . . . . . rr_6fce 1
. 4 . 381 . 1 1 3 . CB C -2.943 0.480 0.168 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CB . . . . . . . . . rr_6fce 1
. 4 . 382 . 1 1 3 . CD1 C -4.235 2.657 0.453 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD1 . . . . . . . . . rr_6fce 1
. 4 . 383 . 1 1 3 . CD2 C -3.189 2.220 -1.681 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD2 . . . . . . . . . rr_6fce 1
. 4 . 384 . 1 1 3 . CE1 C -4.693 3.884 -0.025 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE1 . . . . . . . . . rr_6fce 1
. 4 . 385 . 1 1 3 . CE2 C -3.645 3.447 -2.156 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE2 . . . . . . . . . rr_6fce 1
. 4 . 386 . 1 1 3 . CG C -3.478 1.818 -0.372 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CG . . . . . . . . . rr_6fce 1
. 4 . 387 . 1 1 3 . CZ C -4.397 4.278 -1.327 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CZ . . . . . . . . . rr_6fce 1
. 4 . 388 . 1 1 3 . H H -1.064 -1.551 1.135 . . . 1.0 . . . . . . . . . . . . A . 7 DPN H . . . . . . . . . rr_6fce 1
. 4 . 389 . 1 1 3 . HA H -1.766 1.389 1.723 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HA . . . . . . . . . rr_6fce 1
. 4 . 390 . 1 1 3 . HB2 H -2.799 -0.240 -0.656 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB2 . . . . . . . . . rr_6fce 1
. 4 . 391 . 1 1 3 . HB3 H -3.727 0.015 0.801 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB3 . . . . . . . . . rr_6fce 1
. 4 . 392 . 1 1 3 . HD1 H -4.469 2.364 1.466 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD1 . . . . . . . . . rr_6fce 1
. 4 . 393 . 1 1 3 . HD2 H -2.599 1.588 -2.328 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD2 . . . . . . . . . rr_6fce 1
. 4 . 394 . 1 1 3 . HE1 H -5.278 4.529 0.615 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE1 . . . . . . . . . rr_6fce 1
. 4 . 395 . 1 1 3 . HE2 H -3.417 3.753 -3.166 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE2 . . . . . . . . . rr_6fce 1
. 4 . 396 . 1 1 3 . HZ H -4.754 5.228 -1.698 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HZ . . . . . . . . . rr_6fce 1
. 4 . 397 . 1 1 3 . N N -1.346 -0.702 1.645 . . . 1.0 . . . . . . . . . . . . A . 7 DPN N . . . . . . . . . rr_6fce 1
. 4 . 398 . 1 1 3 . O O 0.020 0.201 -0.813 . . . 1.0 . . . . . . . . . . . . A . 7 DPN O . . . . . . . . . rr_6fce 1
. 4 . 399 . 1 1 4 ARG C C 2.685 1.576 -0.310 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . rr_6fce 1
. 4 . 400 . 1 1 4 ARG CA C 1.483 2.590 -0.327 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . rr_6fce 1
. 4 . 401 . 1 1 4 ARG CB C 1.974 3.945 0.284 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . rr_6fce 1
. 4 . 402 . 1 1 4 ARG CD C 1.591 6.329 1.258 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . rr_6fce 1
. 4 . 403 . 1 1 4 ARG CG C 0.952 5.027 0.734 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . rr_6fce 1
. 4 . 404 . 1 1 4 ARG CZ C 3.160 6.972 3.112 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . rr_6fce 1
. 4 . 405 . 1 1 4 ARG H H -0.311 2.717 0.989 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . rr_6fce 1
. 4 . 406 . 1 1 4 ARG HA H 1.251 2.741 -1.394 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . rr_6fce 1
. 4 . 407 . 1 1 4 ARG HB2 H 2.605 3.726 1.166 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . rr_6fce 1
. 4 . 408 . 1 1 4 ARG HB3 H 2.679 4.403 -0.438 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . rr_6fce 1
. 4 . 409 . 1 1 4 ARG HD2 H 2.242 6.752 0.467 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . rr_6fce 1
. 4 . 410 . 1 1 4 ARG HD3 H 0.789 7.073 1.435 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . rr_6fce 1
. 4 . 411 . 1 1 4 ARG HE H 2.345 5.167 2.960 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . rr_6fce 1
. 4 . 412 . 1 1 4 ARG HG2 H 0.282 5.269 -0.113 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . rr_6fce 1
. 4 . 413 . 1 1 4 ARG HG3 H 0.283 4.623 1.520 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . rr_6fce 1
. 4 . 414 . 1 1 4 ARG HH11 H 4.475 7.259 4.572 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . rr_6fce 1
. 4 . 415 . 1 1 4 ARG HH12 H 3.772 5.590 4.392 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . rr_6fce 1
. 4 . 416 . 1 1 4 ARG HH21 H 3.922 8.829 3.235 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . rr_6fce 1
. 4 . 417 . 1 1 4 ARG HH22 H 2.698 8.466 1.923 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . rr_6fce 1
. 4 . 418 . 1 1 4 ARG N N 0.210 2.133 0.332 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . rr_6fce 1
. 4 . 419 . 1 1 4 ARG NE N 2.354 6.091 2.519 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . rr_6fce 1
. 4 . 420 . 1 1 4 ARG NH1 N 3.858 6.574 4.134 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . rr_6fce 1
. 4 . 421 . 1 1 4 ARG NH2 N 3.284 8.216 2.722 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . rr_6fce 1
. 4 . 422 . 1 1 4 ARG O O 3.358 1.324 -1.311 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . rr_6fce 1
. 4 . 423 . 1 1 5 TRP C C 3.961 -1.326 0.363 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_6fce 1
. 4 . 424 . 1 1 5 TRP CA C 3.914 -0.018 1.225 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_6fce 1
. 4 . 425 . 1 1 5 TRP CB C 3.661 -0.362 2.724 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_6fce 1
. 4 . 426 . 1 1 5 TRP CD1 C 4.784 1.426 4.349 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_6fce 1
. 4 . 427 . 1 1 5 TRP CD2 C 2.588 1.556 4.097 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_6fce 1
. 4 . 428 . 1 1 5 TRP CE2 C 3.017 2.630 4.908 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_6fce 1
. 4 . 429 . 1 1 5 TRP CE3 C 1.249 1.464 3.671 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_6fce 1
. 4 . 430 . 1 1 5 TRP CG C 3.679 0.800 3.742 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_6fce 1
. 4 . 431 . 1 1 5 TRP CH2 C 0.758 3.512 4.882 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_6fce 1
. 4 . 432 . 1 1 5 TRP CZ2 C 2.086 3.626 5.304 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_6fce 1
. 4 . 433 . 1 1 5 TRP CZ3 C 0.350 2.444 4.072 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_6fce 1
. 4 . 434 . 1 1 5 TRP H H 2.213 1.318 1.574 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_6fce 1
. 4 . 435 . 1 1 5 TRP HA H 4.906 0.462 1.165 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_6fce 1
. 4 . 436 . 1 1 5 TRP HB2 H 2.699 -0.902 2.808 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_6fce 1
. 4 . 437 . 1 1 5 TRP HB3 H 4.377 -1.114 3.054 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_6fce 1
. 4 . 438 . 1 1 5 TRP HD1 H 5.807 1.107 4.204 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_6fce 1
. 4 . 439 . 1 1 5 TRP HE1 H 4.983 3.156 5.692 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_6fce 1
. 4 . 440 . 1 1 5 TRP HE3 H 0.968 0.670 2.996 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_6fce 1
. 4 . 441 . 1 1 5 TRP HH2 H 0.035 4.259 5.179 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_6fce 1
. 4 . 442 . 1 1 5 TRP HZ2 H 2.393 4.467 5.905 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_6fce 1
. 4 . 443 . 1 1 5 TRP HZ3 H -0.668 2.355 3.725 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_6fce 1
. 4 . 444 . 1 1 5 TRP N N 2.893 1.003 0.878 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_6fce 1
. 4 . 445 . 1 1 5 TRP NE1 N 4.393 2.568 5.090 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_6fce 1
. 4 . 446 . 1 1 5 TRP O O 5.017 -1.958 0.275 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_6fce 1
. 4 . 447 . 1 1 6 ASP C C 3.625 -2.630 -2.578 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_6fce 1
. 4 . 448 . 1 1 6 ASP CA C 2.801 -2.839 -1.260 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_6fce 1
. 4 . 449 . 1 1 6 ASP CB C 1.317 -3.158 -1.608 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_6fce 1
. 4 . 450 . 1 1 6 ASP CG C 0.340 -3.529 -0.482 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_6fce 1
. 4 . 451 . 1 1 6 ASP H H 2.066 -1.056 -0.165 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_6fce 1
. 4 . 452 . 1 1 6 ASP HA H 3.245 -3.734 -0.784 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_6fce 1
. 4 . 453 . 1 1 6 ASP HB2 H 0.880 -2.292 -2.143 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_6fce 1
. 4 . 454 . 1 1 6 ASP HB3 H 1.279 -3.978 -2.350 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_6fce 1
. 4 . 455 . 1 1 6 ASP N N 2.841 -1.725 -0.269 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_6fce 1
. 4 . 456 . 1 1 6 ASP O O 4.176 -3.578 -3.128 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_6fce 1
. 4 . 457 . 1 1 6 ASP OD1 O -0.674 -2.855 -0.305 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_6fce 1
. 4 . 458 . 1 1 7 NH2 HN1 H 4.388 -1.459 -3.944 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . rr_6fce 1
. 4 . 459 . 1 1 7 NH2 HN2 H 3.444 -0.637 -2.595 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . rr_6fce 1
. 4 . 460 . 1 1 7 NH2 N N 3.738 -1.447 -3.156 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . rr_6fce 1
. 5 . 461 . 1 1 1 AC5 C C -0.921 -4.461 2.411 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 C . . . . . . . . . rr_6fce 1
. 5 . 462 . 1 1 1 AC5 CA C -0.253 -5.327 1.254 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CA . . . . . . . . . rr_6fce 1
. 5 . 463 . 1 1 1 AC5 CB1 C -1.314 -6.124 0.443 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB1 . . . . . . . . . rr_6fce 1
. 5 . 464 . 1 1 1 AC5 CB2 C 0.589 -6.462 1.910 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB2 . . . . . . . . . rr_6fce 1
. 5 . 465 . 1 1 1 AC5 CG1 C -1.213 -7.601 0.841 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG1 . . . . . . . . . rr_6fce 1
. 5 . 466 . 1 1 1 AC5 CG2 C 0.266 -7.768 1.172 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG2 . . . . . . . . . rr_6fce 1
. 5 . 467 . 1 1 1 AC5 HB11 H -1.144 -6.026 -0.645 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB11 . . . . . . . . . rr_6fce 1
. 5 . 468 . 1 1 1 AC5 HB12 H -2.328 -5.717 0.602 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB12 . . . . . . . . . rr_6fce 1
. 5 . 469 . 1 1 1 AC5 HB21 H 0.308 -6.600 2.975 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB21 . . . . . . . . . rr_6fce 1
. 5 . 470 . 1 1 1 AC5 HB22 H 1.675 -6.249 1.946 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB22 . . . . . . . . . rr_6fce 1
. 5 . 471 . 1 1 1 AC5 HG11 H -1.839 -7.805 1.732 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG11 . . . . . . . . . rr_6fce 1
. 5 . 472 . 1 1 1 AC5 HG12 H -1.554 -8.286 0.042 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG12 . . . . . . . . . rr_6fce 1
. 5 . 473 . 1 1 1 AC5 HG21 H 0.870 -7.860 0.247 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG21 . . . . . . . . . rr_6fce 1
. 5 . 474 . 1 1 1 AC5 HG22 H 0.468 -8.668 1.785 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG22 . . . . . . . . . rr_6fce 1
. 5 . 475 . 1 1 1 AC5 N N 0.666 -4.651 0.260 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 N . . . . . . . . . rr_6fce 1
. 5 . 476 . 1 1 1 AC5 O O -1.926 -4.847 3.017 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 O . . . . . . . . . rr_6fce 1
. 5 . 477 . 1 1 2 HIS C C -1.333 -0.941 3.120 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . rr_6fce 1
. 5 . 478 . 1 1 2 HIS CA C -0.845 -2.320 3.707 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . rr_6fce 1
. 5 . 479 . 1 1 2 HIS CB C 0.283 -2.173 4.772 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . rr_6fce 1
. 5 . 480 . 1 1 2 HIS CD2 C -0.539 -2.587 7.183 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . rr_6fce 1
. 5 . 481 . 1 1 2 HIS CE1 C -0.636 -0.613 7.879 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . rr_6fce 1
. 5 . 482 . 1 1 2 HIS CG C -0.166 -1.719 6.152 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . rr_6fce 1
. 5 . 483 . 1 1 2 HIS H H 0.364 -3.132 1.977 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . rr_6fce 1
. 5 . 484 . 1 1 2 HIS HA H -1.743 -2.734 4.202 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . rr_6fce 1
. 5 . 485 . 1 1 2 HIS HB2 H 0.820 -3.131 4.916 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . rr_6fce 1
. 5 . 486 . 1 1 2 HIS HB3 H 1.066 -1.490 4.412 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . rr_6fce 1
. 5 . 487 . 1 1 2 HIS HD1 H -0.081 0.451 6.059 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . rr_6fce 1
. 5 . 488 . 1 1 2 HIS HD2 H -0.551 -3.661 7.071 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . rr_6fce 1
. 5 . 489 . 1 1 2 HIS HE1 H -0.820 0.231 8.530 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . rr_6fce 1
. 5 . 490 . 1 1 2 HIS N N -0.315 -3.314 2.723 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . rr_6fce 1
. 5 . 491 . 1 1 2 HIS ND1 N -0.199 -0.416 6.595 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . rr_6fce 1
. 5 . 492 . 1 1 2 HIS NE2 N -0.861 -1.888 8.338 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . rr_6fce 1
. 5 . 493 . 1 1 2 HIS O O -1.777 -0.077 3.880 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . rr_6fce 1
. 5 . 494 . 1 1 3 . C C -0.309 0.940 0.191 . . . 1.0 . . . . . . . . . . . . A . 7 DPN C . . . . . . . . . rr_6fce 1
. 5 . 495 . 1 1 3 . CA C -1.493 0.612 1.158 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CA . . . . . . . . . rr_6fce 1
. 5 . 496 . 1 1 3 . CB C -2.874 0.584 0.458 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CB . . . . . . . . . rr_6fce 1
. 5 . 497 . 1 1 3 . CD1 C -3.178 2.359 -1.348 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD1 . . . . . . . . . rr_6fce 1
. 5 . 498 . 1 1 3 . CD2 C -4.008 2.827 0.873 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD2 . . . . . . . . . rr_6fce 1
. 5 . 499 . 1 1 3 . CE1 C -3.604 3.617 -1.771 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE1 . . . . . . . . . rr_6fce 1
. 5 . 500 . 1 1 3 . CE2 C -4.434 4.084 0.448 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE2 . . . . . . . . . rr_6fce 1
. 5 . 501 . 1 1 3 . CG C -3.375 1.957 -0.022 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CG . . . . . . . . . rr_6fce 1
. 5 . 502 . 1 1 3 . CZ C -4.231 4.478 -0.873 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CZ . . . . . . . . . rr_6fce 1
. 5 . 503 . 1 1 3 . H H -0.986 -1.547 1.258 . . . 1.0 . . . . . . . . . . . . A . 7 DPN H . . . . . . . . . rr_6fce 1
. 5 . 504 . 1 1 3 . HA H -1.537 1.395 1.946 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HA . . . . . . . . . rr_6fce 1
. 5 . 505 . 1 1 3 . HB2 H -2.833 -0.130 -0.384 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB2 . . . . . . . . . rr_6fce 1
. 5 . 506 . 1 1 3 . HB3 H -3.633 0.152 1.141 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB3 . . . . . . . . . rr_6fce 1
. 5 . 507 . 1 1 3 . HD1 H -2.685 1.703 -2.051 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD1 . . . . . . . . . rr_6fce 1
. 5 . 508 . 1 1 3 . HD2 H -4.170 2.532 1.901 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD2 . . . . . . . . . rr_6fce 1
. 5 . 509 . 1 1 3 . HE1 H -3.447 3.923 -2.794 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE1 . . . . . . . . . rr_6fce 1
. 5 . 510 . 1 1 3 . HE2 H -4.924 4.753 1.141 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE2 . . . . . . . . . rr_6fce 1
. 5 . 511 . 1 1 3 . HZ H -4.563 5.452 -1.204 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HZ . . . . . . . . . rr_6fce 1
. 5 . 512 . 1 1 3 . N N -1.246 -0.709 1.798 . . . 1.0 . . . . . . . . . . . . A . 7 DPN N . . . . . . . . . rr_6fce 1
. 5 . 513 . 1 1 3 . O O 0.127 0.107 -0.612 . . . 1.0 . . . . . . . . . . . . A . 7 DPN O . . . . . . . . . rr_6fce 1
. 5 . 514 . 1 1 4 ARG C C 2.787 1.612 -0.225 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . rr_6fce 1
. 5 . 515 . 1 1 4 ARG CA C 1.532 2.548 -0.374 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . rr_6fce 1
. 5 . 516 . 1 1 4 ARG CB C 1.850 4.029 -0.019 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . rr_6fce 1
. 5 . 517 . 1 1 4 ARG CD C 2.693 5.765 1.707 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . rr_6fce 1
. 5 . 518 . 1 1 4 ARG CG C 2.182 4.332 1.466 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . rr_6fce 1
. 5 . 519 . 1 1 4 ARG CZ C 4.107 5.653 3.788 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . rr_6fce 1
. 5 . 520 . 1 1 4 ARG H H -0.288 2.805 0.887 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . rr_6fce 1
. 5 . 521 . 1 1 4 ARG HA H 1.316 2.521 -1.452 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . rr_6fce 1
. 5 . 522 . 1 1 4 ARG HB2 H 2.691 4.361 -0.659 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . rr_6fce 1
. 5 . 523 . 1 1 4 ARG HB3 H 0.999 4.662 -0.332 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . rr_6fce 1
. 5 . 524 . 1 1 4 ARG HD2 H 3.572 5.994 1.068 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . rr_6fce 1
. 5 . 525 . 1 1 4 ARG HD3 H 1.921 6.488 1.373 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . rr_6fce 1
. 5 . 526 . 1 1 4 ARG HE H 2.310 6.495 3.744 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . rr_6fce 1
. 5 . 527 . 1 1 4 ARG HG2 H 1.283 4.145 2.085 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . rr_6fce 1
. 5 . 528 . 1 1 4 ARG HG3 H 2.934 3.609 1.831 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . rr_6fce 1
. 5 . 529 . 1 1 4 ARG HH11 H 4.917 4.759 2.244 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . rr_6fce 1
. 5 . 530 . 1 1 4 ARG HH12 H 5.904 4.747 3.784 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . rr_6fce 1
. 5 . 531 . 1 1 4 ARG HH21 H 3.463 6.502 5.464 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . rr_6fce 1
. 5 . 532 . 1 1 4 ARG HH22 H 5.101 5.710 5.506 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . rr_6fce 1
. 5 . 533 . 1 1 4 ARG N N 0.257 2.153 0.316 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . rr_6fce 1
. 5 . 534 . 1 1 4 ARG NE N 2.986 6.002 3.151 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . rr_6fce 1
. 5 . 535 . 1 1 4 ARG NH1 N 5.089 4.996 3.223 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . rr_6fce 1
. 5 . 536 . 1 1 4 ARG NH2 N 4.233 5.980 5.042 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . rr_6fce 1
. 5 . 537 . 1 1 4 ARG O O 3.554 1.407 -1.167 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . rr_6fce 1
. 5 . 538 . 1 1 5 TRP C C 3.937 -1.315 0.358 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_6fce 1
. 5 . 539 . 1 1 5 TRP CA C 3.881 -0.069 1.308 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_6fce 1
. 5 . 540 . 1 1 5 TRP CB C 3.511 -0.530 2.747 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_6fce 1
. 5 . 541 . 1 1 5 TRP CD1 C 4.708 0.869 4.667 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_6fce 1
. 5 . 542 . 1 1 5 TRP CD2 C 2.576 1.325 4.289 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_6fce 1
. 5 . 543 . 1 1 5 TRP CE2 C 3.041 2.154 5.331 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_6fce 1
. 5 . 544 . 1 1 5 TRP CE3 C 1.261 1.435 3.807 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_6fce 1
. 5 . 545 . 1 1 5 TRP CG C 3.602 0.514 3.875 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_6fce 1
. 5 . 546 . 1 1 5 TRP CH2 C 0.855 3.203 5.422 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_6fce 1
. 5 . 547 . 1 1 5 TRP CZ2 C 2.162 3.103 5.916 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_6fce 1
. 5 . 548 . 1 1 5 TRP CZ3 C 0.417 2.380 4.375 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_6fce 1
. 5 . 549 . 1 1 5 TRP H H 2.166 1.279 1.596 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_6fce 1
. 5 . 550 . 1 1 5 TRP HA H 4.895 0.365 1.358 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_6fce 1
. 5 . 551 . 1 1 5 TRP HB2 H 2.496 -0.970 2.732 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_6fce 1
. 5 . 552 . 1 1 5 TRP HB3 H 4.128 -1.382 3.038 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_6fce 1
. 5 . 553 . 1 1 5 TRP HD1 H 5.685 0.417 4.563 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_6fce 1
. 5 . 554 . 1 1 5 TRP HE1 H 4.952 2.251 6.362 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_6fce 1
. 5 . 555 . 1 1 5 TRP HE3 H 0.947 0.791 3.000 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_6fce 1
. 5 . 556 . 1 1 5 TRP HH2 H 0.172 3.920 5.852 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_6fce 1
. 5 . 557 . 1 1 5 TRP HZ2 H 2.500 3.739 6.722 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_6fce 1
. 5 . 558 . 1 1 5 TRP HZ3 H -0.583 2.447 3.978 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_6fce 1
. 5 . 559 . 1 1 5 TRP N N 2.929 1.024 0.965 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_6fce 1
. 5 . 560 . 1 1 5 TRP NE1 N 4.379 1.891 5.590 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_6fce 1
. 5 . 561 . 1 1 5 TRP O O 5.004 -1.918 0.217 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_6fce 1
. 5 . 562 . 1 1 6 ASP C C 3.571 -2.588 -2.607 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_6fce 1
. 5 . 563 . 1 1 6 ASP CA C 2.775 -2.814 -1.276 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_6fce 1
. 5 . 564 . 1 1 6 ASP CB C 1.291 -3.163 -1.598 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_6fce 1
. 5 . 565 . 1 1 6 ASP CG C 0.346 -3.560 -0.452 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_6fce 1
. 5 . 566 . 1 1 6 ASP H H 2.009 -1.086 -0.125 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_6fce 1
. 5 . 567 . 1 1 6 ASP HA H 3.244 -3.706 -0.815 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_6fce 1
. 5 . 568 . 1 1 6 ASP HB2 H 0.827 -2.302 -2.120 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_6fce 1
. 5 . 569 . 1 1 6 ASP HB3 H 1.255 -3.979 -2.346 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_6fce 1
. 5 . 570 . 1 1 6 ASP N N 2.814 -1.707 -0.277 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_6fce 1
. 5 . 571 . 1 1 6 ASP O O 4.092 -3.532 -3.194 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_6fce 1
. 5 . 572 . 1 1 6 ASP OD1 O -0.660 -2.890 -0.230 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_6fce 1
. 5 . 573 . 1 1 7 NH2 HN1 H 4.330 -1.399 -3.960 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . rr_6fce 1
. 5 . 574 . 1 1 7 NH2 HN2 H 3.439 -0.596 -2.567 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . rr_6fce 1
. 5 . 575 . 1 1 7 NH2 N N 3.695 -1.393 -3.159 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . rr_6fce 1
. 6 . 576 . 1 1 1 AC5 C C -1.010 -4.429 2.335 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 C . . . . . . . . . rr_6fce 1
. 6 . 577 . 1 1 1 AC5 CA C -0.299 -5.289 1.198 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CA . . . . . . . . . rr_6fce 1
. 6 . 578 . 1 1 1 AC5 CB1 C -1.340 -6.058 0.340 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB1 . . . . . . . . . rr_6fce 1
. 6 . 579 . 1 1 1 AC5 CB2 C 0.509 -6.450 1.859 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB2 . . . . . . . . . rr_6fce 1
. 6 . 580 . 1 1 1 AC5 CG1 C -1.353 -7.517 0.805 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG1 . . . . . . . . . rr_6fce 1
. 6 . 581 . 1 1 1 AC5 CG2 C 0.107 -7.761 1.169 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG2 . . . . . . . . . rr_6fce 1
. 6 . 582 . 1 1 1 AC5 HB11 H -1.078 -6.018 -0.733 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB11 . . . . . . . . . rr_6fce 1
. 6 . 583 . 1 1 1 AC5 HB12 H -2.335 -5.583 0.402 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB12 . . . . . . . . . rr_6fce 1
. 6 . 584 . 1 1 1 AC5 HB21 H 0.259 -6.545 2.936 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB21 . . . . . . . . . rr_6fce 1
. 6 . 585 . 1 1 1 AC5 HB22 H 1.606 -6.300 1.851 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB22 . . . . . . . . . rr_6fce 1
. 6 . 586 . 1 1 1 AC5 HG11 H -2.005 -7.639 1.691 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG11 . . . . . . . . . rr_6fce 1
. 6 . 587 . 1 1 1 AC5 HG12 H -1.723 -8.213 0.026 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG12 . . . . . . . . . rr_6fce 1
. 6 . 588 . 1 1 1 AC5 HG21 H 0.717 -7.928 0.259 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG21 . . . . . . . . . rr_6fce 1
. 6 . 589 . 1 1 1 AC5 HG22 H 0.242 -8.647 1.819 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG22 . . . . . . . . . rr_6fce 1
. 6 . 590 . 1 1 1 AC5 N N 0.655 -4.605 0.246 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 N . . . . . . . . . rr_6fce 1
. 6 . 591 . 1 1 1 AC5 O O -2.068 -4.789 2.863 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 O . . . . . . . . . rr_6fce 1
. 6 . 592 . 1 1 2 HIS C C -1.452 -0.941 3.034 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . rr_6fce 1
. 6 . 593 . 1 1 2 HIS CA C -0.969 -2.304 3.653 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . rr_6fce 1
. 6 . 594 . 1 1 2 HIS CB C 0.122 -2.069 4.735 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . rr_6fce 1
. 6 . 595 . 1 1 2 HIS CD2 C 1.424 -4.065 5.766 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . rr_6fce 1
. 6 . 596 . 1 1 2 HIS CE1 C 0.105 -4.589 7.308 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . rr_6fce 1
. 6 . 597 . 1 1 2 HIS CG C 0.325 -3.199 5.740 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . rr_6fce 1
. 6 . 598 . 1 1 2 HIS H H 0.379 -3.132 2.068 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . rr_6fce 1
. 6 . 599 . 1 1 2 HIS HA H -1.871 -2.708 4.146 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . rr_6fce 1
. 6 . 600 . 1 1 2 HIS HB2 H 1.086 -1.808 4.259 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . rr_6fce 1
. 6 . 601 . 1 1 2 HIS HB3 H -0.121 -1.168 5.309 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . rr_6fce 1
. 6 . 602 . 1 1 2 HIS HD1 H -1.455 -3.102 6.999 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . rr_6fce 1
. 6 . 603 . 1 1 2 HIS HD2 H 2.246 -4.007 5.071 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . rr_6fce 1
. 6 . 604 . 1 1 2 HIS HE1 H -0.319 -5.117 8.151 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . rr_6fce 1
. 6 . 605 . 1 1 2 HIS N N -0.395 -3.308 2.708 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . rr_6fce 1
. 6 . 606 . 1 1 2 HIS ND1 N -0.552 -3.519 6.756 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . rr_6fce 1
. 6 . 607 . 1 1 2 HIS NE2 N 1.309 -4.998 6.789 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . rr_6fce 1
. 6 . 608 . 1 1 2 HIS O O -1.938 -0.086 3.779 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . rr_6fce 1
. 6 . 609 . 1 1 3 . C C -0.317 0.955 0.159 . . . 1.0 . . . . . . . . . . . . A . 7 DPN C . . . . . . . . . rr_6fce 1
. 6 . 610 . 1 1 3 . CA C -1.540 0.613 1.073 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CA . . . . . . . . . rr_6fce 1
. 6 . 611 . 1 1 3 . CB C -2.886 0.569 0.307 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CB . . . . . . . . . rr_6fce 1
. 6 . 612 . 1 1 3 . CD1 C -3.120 2.333 -1.519 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD1 . . . . . . . . . rr_6fce 1
. 6 . 613 . 1 1 3 . CD2 C -4.063 2.801 0.656 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD2 . . . . . . . . . rr_6fce 1
. 6 . 614 . 1 1 3 . CE1 C -3.541 3.583 -1.968 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE1 . . . . . . . . . rr_6fce 1
. 6 . 615 . 1 1 3 . CE2 C -4.484 4.051 0.204 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE2 . . . . . . . . . rr_6fce 1
. 6 . 616 . 1 1 3 . CG C -3.377 1.935 -0.202 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CG . . . . . . . . . rr_6fce 1
. 6 . 617 . 1 1 3 . CZ C -4.221 4.441 -1.107 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CZ . . . . . . . . . rr_6fce 1
. 6 . 618 . 1 1 3 . H H -1.028 -1.545 1.186 . . . 1.0 . . . . . . . . . . . . A . 7 DPN H . . . . . . . . . rr_6fce 1
. 6 . 619 . 1 1 3 . HA H -1.630 1.394 1.856 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HA . . . . . . . . . rr_6fce 1
. 6 . 620 . 1 1 3 . HB2 H -2.796 -0.147 -0.528 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB2 . . . . . . . . . rr_6fce 1
. 6 . 621 . 1 1 3 . HB3 H -3.673 0.132 0.954 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB3 . . . . . . . . . rr_6fce 1
. 6 . 622 . 1 1 3 . HD1 H -2.587 1.679 -2.194 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD1 . . . . . . . . . rr_6fce 1
. 6 . 623 . 1 1 3 . HD2 H -4.271 2.510 1.676 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD2 . . . . . . . . . rr_6fce 1
. 6 . 624 . 1 1 3 . HE1 H -3.339 3.887 -2.985 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE1 . . . . . . . . . rr_6fce 1
. 6 . 625 . 1 1 3 . HE2 H -5.014 4.717 0.869 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE2 . . . . . . . . . rr_6fce 1
. 6 . 626 . 1 1 3 . HZ H -4.549 5.409 -1.458 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HZ . . . . . . . . . rr_6fce 1
. 6 . 627 . 1 1 3 . N N -1.307 -0.708 1.718 . . . 1.0 . . . . . . . . . . . . A . 7 DPN N . . . . . . . . . rr_6fce 1
. 6 . 628 . 1 1 3 . O O 0.132 0.142 -0.657 . . . 1.0 . . . . . . . . . . . . A . 7 DPN O . . . . . . . . . rr_6fce 1
. 6 . 629 . 1 1 4 ARG C C 2.792 1.652 -0.202 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . rr_6fce 1
. 6 . 630 . 1 1 4 ARG CA C 1.529 2.575 -0.342 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . rr_6fce 1
. 6 . 631 . 1 1 4 ARG CB C 1.828 4.054 0.027 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . rr_6fce 1
. 6 . 632 . 1 1 4 ARG CD C 2.579 5.815 1.807 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . rr_6fce 1
. 6 . 633 . 1 1 4 ARG CG C 2.199 4.352 1.507 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . rr_6fce 1
. 6 . 634 . 1 1 4 ARG CZ C 4.556 7.300 1.377 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . rr_6fce 1
. 6 . 635 . 1 1 4 ARG H H -0.293 2.793 0.923 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . rr_6fce 1
. 6 . 636 . 1 1 4 ARG HA H 1.318 2.556 -1.420 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . rr_6fce 1
. 6 . 637 . 1 1 4 ARG HB2 H 2.644 4.410 -0.631 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . rr_6fce 1
. 6 . 638 . 1 1 4 ARG HB3 H 0.958 4.675 -0.258 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . rr_6fce 1
. 6 . 639 . 1 1 4 ARG HD2 H 1.813 6.498 1.386 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . rr_6fce 1
. 6 . 640 . 1 1 4 ARG HD3 H 2.557 5.966 2.907 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . rr_6fce 1
. 6 . 641 . 1 1 4 ARG HE H 4.478 5.400 0.795 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . rr_6fce 1
. 6 . 642 . 1 1 4 ARG HG2 H 1.331 4.082 2.139 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . rr_6fce 1
. 6 . 643 . 1 1 4 ARG HG3 H 3.007 3.676 1.851 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . rr_6fce 1
. 6 . 644 . 1 1 4 ARG HH11 H 6.209 8.323 0.951 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . rr_6fce 1
. 6 . 645 . 1 1 4 ARG HH12 H 6.141 6.585 0.414 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . rr_6fce 1
. 6 . 646 . 1 1 4 ARG HH21 H 4.574 9.213 1.996 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . rr_6fce 1
. 6 . 647 . 1 1 4 ARG HH22 H 3.098 8.191 2.342 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . rr_6fce 1
. 6 . 648 . 1 1 4 ARG N N 0.253 2.159 0.335 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . rr_6fce 1
. 6 . 649 . 1 1 4 ARG NE N 3.938 6.124 1.277 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . rr_6fce 1
. 6 . 650 . 1 1 4 ARG NH1 N 5.748 7.415 0.866 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . rr_6fce 1
. 6 . 651 . 1 1 4 ARG NH2 N 4.031 8.349 1.963 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . rr_6fce 1
. 6 . 652 . 1 1 4 ARG O O 3.588 1.506 -1.131 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . rr_6fce 1
. 6 . 653 . 1 1 5 TRP C C 3.970 -1.295 0.336 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_6fce 1
. 6 . 654 . 1 1 5 TRP CA C 3.909 -0.049 1.285 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_6fce 1
. 6 . 655 . 1 1 5 TRP CB C 3.607 -0.515 2.738 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_6fce 1
. 6 . 656 . 1 1 5 TRP CD1 C 4.792 1.055 4.528 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_6fce 1
. 6 . 657 . 1 1 5 TRP CD2 C 2.609 1.318 4.262 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_6fce 1
. 6 . 658 . 1 1 5 TRP CE2 C 3.074 2.281 5.182 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_6fce 1
. 6 . 659 . 1 1 5 TRP CE3 C 1.273 1.327 3.819 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_6fce 1
. 6 . 660 . 1 1 5 TRP CG C 3.668 0.550 3.846 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_6fce 1
. 6 . 661 . 1 1 5 TRP CH2 C 0.857 3.259 5.233 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_6fce 1
. 6 . 662 . 1 1 5 TRP CZ2 C 2.186 3.270 5.676 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_6fce 1
. 6 . 663 . 1 1 5 TRP CZ3 C 0.413 2.301 4.311 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_6fce 1
. 6 . 664 . 1 1 5 TRP H H 2.154 1.248 1.603 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_6fce 1
. 6 . 665 . 1 1 5 TRP HA H 4.911 0.415 1.294 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_6fce 1
. 6 . 666 . 1 1 5 TRP HB2 H 2.616 -1.011 2.757 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_6fce 1
. 6 . 667 . 1 1 5 TRP HB3 H 4.278 -1.326 3.019 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_6fce 1
. 6 . 668 . 1 1 5 TRP HD1 H 5.802 0.706 4.361 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_6fce 1
. 6 . 669 . 1 1 5 TRP HE1 H 5.057 2.699 5.972 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_6fce 1
. 6 . 670 . 1 1 5 TRP HE3 H 0.968 0.612 3.072 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_6fce 1
. 6 . 671 . 1 1 5 TRP HH2 H 0.166 4.007 5.596 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_6fce 1
. 6 . 672 . 1 1 5 TRP HZ2 H 2.532 4.025 6.367 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_6fce 1
. 6 . 673 . 1 1 5 TRP HZ3 H -0.599 2.296 3.938 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_6fce 1
. 6 . 674 . 1 1 5 TRP N N 2.916 1.014 0.962 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_6fce 1
. 6 . 675 . 1 1 5 TRP NE1 N 4.442 2.131 5.376 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_6fce 1
. 6 . 676 . 1 1 5 TRP O O 5.038 -1.894 0.193 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_6fce 1
. 6 . 677 . 1 1 6 ASP C C 3.614 -2.606 -2.610 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_6fce 1
. 6 . 678 . 1 1 6 ASP CA C 2.802 -2.807 -1.285 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_6fce 1
. 6 . 679 . 1 1 6 ASP CB C 1.316 -3.134 -1.615 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_6fce 1
. 6 . 680 . 1 1 6 ASP CG C 0.354 -3.515 -0.478 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_6fce 1
. 6 . 681 . 1 1 6 ASP H H 2.042 -1.071 -0.134 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_6fce 1
. 6 . 682 . 1 1 6 ASP HA H 3.252 -3.700 -0.809 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_6fce 1
. 6 . 683 . 1 1 6 ASP HB2 H 0.867 -2.269 -2.142 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_6fce 1
. 6 . 684 . 1 1 6 ASP HB3 H 1.273 -3.951 -2.359 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_6fce 1
. 6 . 685 . 1 1 6 ASP N N 2.846 -1.689 -0.296 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_6fce 1
. 6 . 686 . 1 1 6 ASP O O 4.149 -3.560 -3.166 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_6fce 1
. 6 . 687 . 1 1 6 ASP OD1 O -0.657 -2.844 -0.280 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_6fce 1
. 6 . 688 . 1 1 7 NH2 HN1 H 4.380 -1.443 -3.981 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . rr_6fce 1
. 6 . 689 . 1 1 7 NH2 HN2 H 3.455 -0.617 -2.620 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . rr_6fce 1
. 6 . 690 . 1 1 7 NH2 N N 3.733 -1.425 -3.188 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . rr_6fce 1
. 7 . 691 . 1 1 1 AC5 C C -1.143 -4.475 1.898 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 C . . . . . . . . . rr_6fce 1
. 7 . 692 . 1 1 1 AC5 CA C -0.023 -5.317 1.148 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CA . . . . . . . . . rr_6fce 1
. 7 . 693 . 1 1 1 AC5 CB1 C -0.572 -6.613 0.534 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB1 . . . . . . . . . rr_6fce 1
. 7 . 694 . 1 1 1 AC5 CB2 C 0.991 -5.934 2.156 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB2 . . . . . . . . . rr_6fce 1
. 7 . 695 . 1 1 1 AC5 CG1 C 0.548 -7.664 0.476 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG1 . . . . . . . . . rr_6fce 1
. 7 . 696 . 1 1 1 AC5 CG2 C 1.483 -7.298 1.631 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG2 . . . . . . . . . rr_6fce 1
. 7 . 697 . 1 1 1 AC5 HB11 H -1.027 -6.393 -0.445 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB11 . . . . . . . . . rr_6fce 1
. 7 . 698 . 1 1 1 AC5 HB12 H -1.376 -6.989 1.185 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB12 . . . . . . . . . rr_6fce 1
. 7 . 699 . 1 1 1 AC5 HB21 H 0.494 -6.104 3.131 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB21 . . . . . . . . . rr_6fce 1
. 7 . 700 . 1 1 1 AC5 HB22 H 1.831 -5.250 2.394 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB22 . . . . . . . . . rr_6fce 1
. 7 . 701 . 1 1 1 AC5 HG11 H 0.156 -8.698 0.555 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG11 . . . . . . . . . rr_6fce 1
. 7 . 702 . 1 1 1 AC5 HG12 H 1.084 -7.602 -0.490 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG12 . . . . . . . . . rr_6fce 1
. 7 . 703 . 1 1 1 AC5 HG21 H 2.532 -7.241 1.282 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG21 . . . . . . . . . rr_6fce 1
. 7 . 704 . 1 1 1 AC5 HG22 H 1.461 -8.066 2.429 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG22 . . . . . . . . . rr_6fce 1
. 7 . 705 . 1 1 1 AC5 N N 0.802 -4.615 0.103 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 N . . . . . . . . . rr_6fce 1
. 7 . 706 . 1 1 1 AC5 O O -2.317 -4.836 2.008 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 O . . . . . . . . . rr_6fce 1
. 7 . 707 . 1 1 2 HIS C C -1.463 -0.957 3.042 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . rr_6fce 1
. 7 . 708 . 1 1 2 HIS CA C -1.470 -2.488 3.375 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . rr_6fce 1
. 7 . 709 . 1 1 2 HIS CB C -1.007 -2.856 4.811 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . rr_6fce 1
. 7 . 710 . 1 1 2 HIS CD2 C 1.148 -1.648 5.597 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . rr_6fce 1
. 7 . 711 . 1 1 2 HIS CE1 C 2.466 -3.269 5.689 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . rr_6fce 1
. 7 . 712 . 1 1 2 HIS CG C 0.477 -2.794 5.185 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . rr_6fce 1
. 7 . 713 . 1 1 2 HIS H H 0.319 -3.340 2.348 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . rr_6fce 1
. 7 . 714 . 1 1 2 HIS HA H -2.545 -2.753 3.322 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . rr_6fce 1
. 7 . 715 . 1 1 2 HIS HB2 H -1.564 -2.205 5.495 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . rr_6fce 1
. 7 . 716 . 1 1 2 HIS HB3 H -1.367 -3.869 5.026 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . rr_6fce 1
. 7 . 717 . 1 1 2 HIS HD1 H 1.117 -4.878 5.126 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . rr_6fce 1
. 7 . 718 . 1 1 2 HIS HD2 H 0.666 -0.689 5.646 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . rr_6fce 1
. 7 . 719 . 1 1 2 HIS HE1 H 3.359 -3.849 5.886 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . rr_6fce 1
. 7 . 720 . 1 1 2 HIS N N -0.694 -3.348 2.442 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . rr_6fce 1
. 7 . 721 . 1 1 2 HIS ND1 N 1.327 -3.881 5.233 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . rr_6fce 1
. 7 . 722 . 1 1 2 HIS NE2 N 2.466 -1.920 5.934 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . rr_6fce 1
. 7 . 723 . 1 1 2 HIS O O -1.448 -0.109 3.939 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . rr_6fce 1
. 7 . 724 . 1 1 3 . C C -0.362 1.014 0.247 . . . 1.0 . . . . . . . . . . . . A . 7 DPN C . . . . . . . . . rr_6fce 1
. 7 . 725 . 1 1 3 . CA C -1.543 0.791 1.249 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CA . . . . . . . . . rr_6fce 1
. 7 . 726 . 1 1 3 . CB C -2.940 1.089 0.639 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CB . . . . . . . . . rr_6fce 1
. 7 . 727 . 1 1 3 . CD1 C -3.576 3.450 1.351 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD1 . . . . . . . . . rr_6fce 1
. 7 . 728 . 1 1 3 . CD2 C -3.024 3.066 -0.969 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD2 . . . . . . . . . rr_6fce 1
. 7 . 729 . 1 1 3 . CE1 C -3.771 4.803 1.080 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE1 . . . . . . . . . rr_6fce 1
. 7 . 730 . 1 1 3 . CE2 C -3.220 4.419 -1.238 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE2 . . . . . . . . . rr_6fce 1
. 7 . 731 . 1 1 3 . CG C -3.199 2.574 0.329 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CG . . . . . . . . . rr_6fce 1
. 7 . 732 . 1 1 3 . CZ C -3.593 5.287 -0.215 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CZ . . . . . . . . . rr_6fce 1
. 7 . 733 . 1 1 3 . H H -1.401 -1.425 1.141 . . . 1.0 . . . . . . . . . . . . A . 7 DPN H . . . . . . . . . rr_6fce 1
. 7 . 734 . 1 1 3 . HA H -1.409 1.483 2.105 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HA . . . . . . . . . rr_6fce 1
. 7 . 735 . 1 1 3 . HB2 H -3.081 0.470 -0.267 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB2 . . . . . . . . . rr_6fce 1
. 7 . 736 . 1 1 3 . HB3 H -3.732 0.736 1.328 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB3 . . . . . . . . . rr_6fce 1
. 7 . 737 . 1 1 3 . HD1 H -3.714 3.089 2.361 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD1 . . . . . . . . . rr_6fce 1
. 7 . 738 . 1 1 3 . HD2 H -2.726 2.405 -1.771 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD2 . . . . . . . . . rr_6fce 1
. 7 . 739 . 1 1 3 . HE1 H -4.065 5.478 1.872 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE1 . . . . . . . . . rr_6fce 1
. 7 . 740 . 1 1 3 . HE2 H -3.083 4.795 -2.242 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE2 . . . . . . . . . rr_6fce 1
. 7 . 741 . 1 1 3 . HZ H -3.748 6.335 -0.424 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HZ . . . . . . . . . rr_6fce 1
. 7 . 742 . 1 1 3 . N N -1.542 -0.611 1.748 . . . 1.0 . . . . . . . . . . . . A . 7 DPN N . . . . . . . . . rr_6fce 1
. 7 . 743 . 1 1 3 . O O -0.025 0.153 -0.573 . . . 1.0 . . . . . . . . . . . . A . 7 DPN O . . . . . . . . . rr_6fce 1
. 7 . 744 . 1 1 4 ARG C C 2.753 1.490 -0.337 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . rr_6fce 1
. 7 . 745 . 1 1 4 ARG CA C 1.551 2.500 -0.411 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . rr_6fce 1
. 7 . 746 . 1 1 4 ARG CB C 1.968 3.957 -0.058 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . rr_6fce 1
. 7 . 747 . 1 1 4 ARG CD C 2.894 5.644 1.675 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . rr_6fce 1
. 7 . 748 . 1 1 4 ARG CG C 2.530 4.186 1.369 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . rr_6fce 1
. 7 . 749 . 1 1 4 ARG CZ C 3.892 6.798 3.668 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . rr_6fce 1
. 7 . 750 . 1 1 4 ARG H H -0.155 2.859 0.972 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . rr_6fce 1
. 7 . 751 . 1 1 4 ARG HA H 1.269 2.495 -1.474 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . rr_6fce 1
. 7 . 752 . 1 1 4 ARG HB2 H 2.725 4.286 -0.794 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . rr_6fce 1
. 7 . 753 . 1 1 4 ARG HB3 H 1.104 4.630 -0.227 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . rr_6fce 1
. 7 . 754 . 1 1 4 ARG HD2 H 3.623 6.018 0.925 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . rr_6fce 1
. 7 . 755 . 1 1 4 ARG HD3 H 1.990 6.284 1.595 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . rr_6fce 1
. 7 . 756 . 1 1 4 ARG HE H 3.588 4.837 3.591 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . rr_6fce 1
. 7 . 757 . 1 1 4 ARG HG2 H 1.789 3.825 2.108 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . rr_6fce 1
. 7 . 758 . 1 1 4 ARG HG3 H 3.423 3.544 1.505 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . rr_6fce 1
. 7 . 759 . 1 1 4 ARG HH11 H 4.722 7.529 5.320 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . rr_6fce 1
. 7 . 760 . 1 1 4 ARG HH12 H 4.461 5.729 5.238 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . rr_6fce 1
. 7 . 761 . 1 1 4 ARG HH21 H 4.171 8.790 3.687 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . rr_6fce 1
. 7 . 762 . 1 1 4 ARG HH22 H 3.418 8.020 2.207 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . rr_6fce 1
. 7 . 763 . 1 1 4 ARG N N 0.300 2.180 0.357 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . rr_6fce 1
. 7 . 764 . 1 1 4 ARG NE N 3.471 5.697 3.047 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . rr_6fce 1
. 7 . 765 . 1 1 4 ARG NH1 N 4.401 6.676 4.859 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . rr_6fce 1
. 7 . 766 . 1 1 4 ARG NH2 N 3.825 7.998 3.144 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . rr_6fce 1
. 7 . 767 . 1 1 4 ARG O O 3.474 1.270 -1.312 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . rr_6fce 1
. 7 . 768 . 1 1 5 TRP C C 3.933 -1.460 0.231 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_6fce 1
. 7 . 769 . 1 1 5 TRP CA C 3.893 -0.195 1.157 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_6fce 1
. 7 . 770 . 1 1 5 TRP CB C 3.611 -0.606 2.629 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_6fce 1
. 7 . 771 . 1 1 5 TRP CD1 C 4.960 0.925 4.337 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_6fce 1
. 7 . 772 . 1 1 5 TRP CD2 C 2.792 1.327 4.141 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_6fce 1
. 7 . 773 . 1 1 5 TRP CE2 C 3.347 2.252 5.052 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_6fce 1
. 7 . 774 . 1 1 5 TRP CE3 C 1.429 1.387 3.789 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_6fce 1
. 7 . 775 . 1 1 5 TRP CG C 3.785 0.495 3.693 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_6fce 1
. 7 . 776 . 1 1 5 TRP CH2 C 1.174 3.299 5.269 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_6fce 1
. 7 . 777 . 1 1 5 TRP CZ2 C 2.525 3.250 5.634 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_6fce 1
. 7 . 778 . 1 1 5 TRP CZ3 C 0.640 2.380 4.355 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_6fce 1
. 7 . 779 . 1 1 5 TRP H H 2.194 1.162 1.510 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_6fce 1
. 7 . 780 . 1 1 5 TRP HA H 4.900 0.258 1.135 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_6fce 1
. 7 . 781 . 1 1 5 TRP HB2 H 2.595 -1.041 2.709 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_6fce 1
. 7 . 782 . 1 1 5 TRP HB3 H 4.244 -1.447 2.915 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_6fce 1
. 7 . 783 . 1 1 5 TRP HD1 H 5.933 0.484 4.168 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_6fce 1
. 7 . 784 . 1 1 5 TRP HE1 H 5.363 2.462 5.855 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_6fce 1
. 7 . 785 . 1 1 5 TRP HE3 H 1.032 0.655 3.094 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_6fce 1
. 7 . 786 . 1 1 5 TRP HH2 H 0.531 4.051 5.704 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_6fce 1
. 7 . 787 . 1 1 5 TRP HZ2 H 2.930 3.950 6.348 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_6fce 1
. 7 . 788 . 1 1 5 TRP HZ3 H -0.398 2.414 4.066 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_6fce 1
. 7 . 789 . 1 1 5 TRP N N 2.908 0.874 0.836 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_6fce 1
. 7 . 790 . 1 1 5 TRP NE1 N 4.710 2.024 5.194 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_6fce 1
. 7 . 791 . 1 1 5 TRP O O 4.981 -2.098 0.124 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_6fce 1
. 7 . 792 . 1 1 6 ASP C C 3.592 -2.530 -2.816 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_6fce 1
. 7 . 793 . 1 1 6 ASP CA C 2.797 -2.853 -1.505 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_6fce 1
. 7 . 794 . 1 1 6 ASP CB C 1.318 -3.205 -1.851 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_6fce 1
. 7 . 795 . 1 1 6 ASP CG C 0.353 -3.687 -0.758 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_6fce 1
. 7 . 796 . 1 1 6 ASP H H 2.041 -1.148 -0.294 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_6fce 1
. 7 . 797 . 1 1 6 ASP HA H 3.281 -3.763 -1.101 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_6fce 1
. 7 . 798 . 1 1 6 ASP HB2 H 0.846 -2.321 -2.322 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_6fce 1
. 7 . 799 . 1 1 6 ASP HB3 H 1.300 -3.981 -2.637 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_6fce 1
. 7 . 800 . 1 1 6 ASP N N 2.818 -1.808 -0.440 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_6fce 1
. 7 . 801 . 1 1 6 ASP O O 4.117 -3.431 -3.465 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_6fce 1
. 7 . 802 . 1 1 6 ASP OD1 O -0.788 -3.228 -0.724 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_6fce 1
. 7 . 803 . 1 1 7 NH2 HN1 H 4.345 -1.253 -4.088 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . rr_6fce 1
. 7 . 804 . 1 1 7 NH2 HN2 H 3.461 -0.543 -2.642 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . rr_6fce 1
. 7 . 805 . 1 1 7 NH2 N N 3.714 -1.302 -3.286 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . rr_6fce 1
. 8 . 806 . 1 1 1 AC5 C C -1.088 -4.382 2.245 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 C . . . . . . . . . rr_6fce 1
. 8 . 807 . 1 1 1 AC5 CA C -0.314 -5.269 1.172 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CA . . . . . . . . . rr_6fce 1
. 8 . 808 . 1 1 1 AC5 CB1 C -1.266 -6.147 0.337 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB1 . . . . . . . . . rr_6fce 1
. 8 . 809 . 1 1 1 AC5 CB2 C 0.506 -6.383 1.876 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB2 . . . . . . . . . rr_6fce 1
. 8 . 810 . 1 1 1 AC5 CG1 C -0.542 -7.439 -0.076 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG1 . . . . . . . . . rr_6fce 1
. 8 . 811 . 1 1 1 AC5 CG2 C 0.558 -7.632 0.973 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG2 . . . . . . . . . rr_6fce 1
. 8 . 812 . 1 1 1 AC5 HB11 H -1.664 -5.575 -0.519 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB11 . . . . . . . . . rr_6fce 1
. 8 . 813 . 1 1 1 AC5 HB12 H -2.135 -6.411 0.959 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB12 . . . . . . . . . rr_6fce 1
. 8 . 814 . 1 1 1 AC5 HB21 H 0.012 -6.675 2.824 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB21 . . . . . . . . . rr_6fce 1
. 8 . 815 . 1 1 1 AC5 HB22 H 1.518 -6.046 2.176 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB22 . . . . . . . . . rr_6fce 1
. 8 . 816 . 1 1 1 AC5 HG11 H -1.232 -8.303 -0.128 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG11 . . . . . . . . . rr_6fce 1
. 8 . 817 . 1 1 1 AC5 HG12 H -0.097 -7.326 -1.084 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG12 . . . . . . . . . rr_6fce 1
. 8 . 818 . 1 1 1 AC5 HG21 H 1.546 -7.729 0.485 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG21 . . . . . . . . . rr_6fce 1
. 8 . 819 . 1 1 1 AC5 HG22 H 0.407 -8.558 1.559 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG22 . . . . . . . . . rr_6fce 1
. 8 . 820 . 1 1 1 AC5 N N 0.626 -4.579 0.214 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 N . . . . . . . . . rr_6fce 1
. 8 . 821 . 1 1 1 AC5 O O -2.224 -4.658 2.645 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 O . . . . . . . . . rr_6fce 1
. 8 . 822 . 1 1 2 HIS C C -1.494 -0.950 3.008 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . rr_6fce 1
. 8 . 823 . 1 1 2 HIS CA C -1.016 -2.307 3.640 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . rr_6fce 1
. 8 . 824 . 1 1 2 HIS CB C 0.064 -2.060 4.731 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . rr_6fce 1
. 8 . 825 . 1 1 2 HIS CD2 C 1.381 -4.030 5.795 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . rr_6fce 1
. 8 . 826 . 1 1 2 HIS CE1 C 0.052 -4.558 7.325 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . rr_6fce 1
. 8 . 827 . 1 1 2 HIS CG C 0.269 -3.182 5.746 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . rr_6fce 1
. 8 . 828 . 1 1 2 HIS H H 0.417 -3.195 2.164 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . rr_6fce 1
. 8 . 829 . 1 1 2 HIS HA H -1.919 -2.713 4.130 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . rr_6fce 1
. 8 . 830 . 1 1 2 HIS HB2 H 1.030 -1.795 4.262 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . rr_6fce 1
. 8 . 831 . 1 1 2 HIS HB3 H -0.189 -1.158 5.300 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . rr_6fce 1
. 8 . 832 . 1 1 2 HIS HD1 H -1.527 -3.097 6.985 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . rr_6fce 1
. 8 . 833 . 1 1 2 HIS HD2 H 2.214 -3.963 5.112 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . rr_6fce 1
. 8 . 834 . 1 1 2 HIS HE1 H -0.374 -5.083 8.169 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . rr_6fce 1
. 8 . 835 . 1 1 2 HIS N N -0.431 -3.323 2.716 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . rr_6fce 1
. 8 . 836 . 1 1 2 HIS ND1 N -0.617 -3.506 6.753 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . rr_6fce 1
. 8 . 837 . 1 1 2 HIS NE2 N 1.267 -4.954 6.824 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . rr_6fce 1
. 8 . 838 . 1 1 2 HIS O O -1.991 -0.092 3.742 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . rr_6fce 1
. 8 . 839 . 1 1 3 . C C -0.319 0.924 0.125 . . . 1.0 . . . . . . . . . . . . A . 7 DPN C . . . . . . . . . rr_6fce 1
. 8 . 840 . 1 1 3 . CA C -1.542 0.601 1.045 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CA . . . . . . . . . rr_6fce 1
. 8 . 841 . 1 1 3 . CB C -2.894 0.589 0.287 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CB . . . . . . . . . rr_6fce 1
. 8 . 842 . 1 1 3 . CD1 C -3.100 2.402 -1.494 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD1 . . . . . . . . . rr_6fce 1
. 8 . 843 . 1 1 3 . CD2 C -4.040 2.828 0.691 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD2 . . . . . . . . . rr_6fce 1
. 8 . 844 . 1 1 3 . CE1 C -3.499 3.671 -1.912 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE1 . . . . . . . . . rr_6fce 1
. 8 . 845 . 1 1 3 . CE2 C -4.440 4.096 0.270 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE2 . . . . . . . . . rr_6fce 1
. 8 . 846 . 1 1 3 . CG C -3.367 1.973 -0.189 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CG . . . . . . . . . rr_6fce 1
. 8 . 847 . 1 1 3 . CZ C -4.169 4.515 -1.029 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CZ . . . . . . . . . rr_6fce 1
. 8 . 848 . 1 1 3 . H H -1.050 -1.563 1.166 . . . 1.0 . . . . . . . . . . . . A . 7 DPN H . . . . . . . . . rr_6fce 1
. 8 . 849 . 1 1 3 . HA H -1.611 1.383 1.830 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HA . . . . . . . . . rr_6fce 1
. 8 . 850 . 1 1 3 . HB2 H -2.820 -0.112 -0.563 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB2 . . . . . . . . . rr_6fce 1
. 8 . 851 . 1 1 3 . HB3 H -3.682 0.150 0.932 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB3 . . . . . . . . . rr_6fce 1
. 8 . 852 . 1 1 3 . HD1 H -2.575 1.757 -2.186 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD1 . . . . . . . . . rr_6fce 1
. 8 . 853 . 1 1 3 . HD2 H -4.255 2.512 1.702 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD2 . . . . . . . . . rr_6fce 1
. 8 . 854 . 1 1 3 . HE1 H -3.293 3.996 -2.921 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE1 . . . . . . . . . rr_6fce 1
. 8 . 855 . 1 1 3 . HE2 H -4.965 4.750 0.952 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE2 . . . . . . . . . rr_6fce 1
. 8 . 856 . 1 1 3 . HZ H -4.483 5.495 -1.357 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HZ . . . . . . . . . rr_6fce 1
. 8 . 857 . 1 1 3 . N N -1.330 -0.722 1.693 . . . 1.0 . . . . . . . . . . . . A . 7 DPN N . . . . . . . . . rr_6fce 1
. 8 . 858 . 1 1 3 . O O 0.124 0.100 -0.683 . . . 1.0 . . . . . . . . . . . . A . 7 DPN O . . . . . . . . . rr_6fce 1
. 8 . 859 . 1 1 4 ARG C C 2.788 1.608 -0.254 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . rr_6fce 1
. 8 . 860 . 1 1 4 ARG CA C 1.527 2.534 -0.408 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . rr_6fce 1
. 8 . 861 . 1 1 4 ARG CB C 1.807 4.025 -0.074 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . rr_6fce 1
. 8 . 862 . 1 1 4 ARG CD C 2.444 5.845 1.688 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . rr_6fce 1
. 8 . 863 . 1 1 4 ARG CG C 2.249 4.348 1.380 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . rr_6fce 1
. 8 . 864 . 1 1 4 ARG CZ C 0.520 6.858 2.963 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . rr_6fce 1
. 8 . 865 . 1 1 4 ARG H H -0.279 2.768 0.876 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . rr_6fce 1
. 8 . 866 . 1 1 4 ARG HA H 1.309 2.493 -1.485 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . rr_6fce 1
. 8 . 867 . 1 1 4 ARG HB2 H 2.585 4.395 -0.769 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . rr_6fce 1
. 8 . 868 . 1 1 4 ARG HB3 H 0.907 4.616 -0.327 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . rr_6fce 1
. 8 . 869 . 1 1 4 ARG HD2 H 3.088 5.970 2.582 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . rr_6fce 1
. 8 . 870 . 1 1 4 ARG HD3 H 3.036 6.319 0.878 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . rr_6fce 1
. 8 . 871 . 1 1 4 ARG HE H 0.604 6.783 0.980 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . rr_6fce 1
. 8 . 872 . 1 1 4 ARG HG2 H 1.532 3.911 2.100 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . rr_6fce 1
. 8 . 873 . 1 1 4 ARG HG3 H 3.206 3.828 1.577 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . rr_6fce 1
. 8 . 874 . 1 1 4 ARG HH11 H -1.078 7.715 3.781 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . rr_6fce 1
. 8 . 875 . 1 1 4 ARG HH12 H -0.979 7.696 1.964 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . rr_6fce 1
. 8 . 876 . 1 1 4 ARG HH21 H 0.470 6.870 4.972 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . rr_6fce 1
. 8 . 877 . 1 1 4 ARG HH22 H 1.889 6.076 4.134 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . rr_6fce 1
. 8 . 878 . 1 1 4 ARG N N 0.257 2.128 0.286 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . rr_6fce 1
. 8 . 879 . 1 1 4 ARG NE N 1.132 6.541 1.820 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . rr_6fce 1
. 8 . 880 . 1 1 4 ARG NH1 N -0.625 7.475 2.897 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . rr_6fce 1
. 8 . 881 . 1 1 4 ARG NH2 N 1.001 6.581 4.150 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . rr_6fce 1
. 8 . 882 . 1 1 4 ARG O O 3.545 1.394 -1.202 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . rr_6fce 1
. 8 . 883 . 1 1 5 TRP C C 3.936 -1.313 0.321 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_6fce 1
. 8 . 884 . 1 1 5 TRP CA C 3.883 -0.071 1.278 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_6fce 1
. 8 . 885 . 1 1 5 TRP CB C 3.517 -0.549 2.714 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_6fce 1
. 8 . 886 . 1 1 5 TRP CD1 C 4.679 0.922 4.601 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_6fce 1
. 8 . 887 . 1 1 5 TRP CD2 C 2.521 1.274 4.253 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_6fce 1
. 8 . 888 . 1 1 5 TRP CE2 C 2.973 2.164 5.249 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_6fce 1
. 8 . 889 . 1 1 5 TRP CE3 C 1.203 1.336 3.769 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_6fce 1
. 8 . 890 . 1 1 5 TRP CG C 3.573 0.492 3.845 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_6fce 1
. 8 . 891 . 1 1 5 TRP CH2 C 0.766 3.169 5.303 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_6fce 1
. 8 . 892 . 1 1 5 TRP CZ2 C 2.081 3.128 5.786 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_6fce 1
. 8 . 893 . 1 1 5 TRP CZ3 C 0.341 2.288 4.298 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_6fce 1
. 8 . 894 . 1 1 5 TRP H H 2.196 1.307 1.587 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_6fce 1
. 8 . 895 . 1 1 5 TRP HA H 4.898 0.359 1.330 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_6fce 1
. 8 . 896 . 1 1 5 TRP HB2 H 2.511 -1.011 2.691 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_6fce 1
. 8 . 897 . 1 1 5 TRP HB3 H 4.152 -1.386 3.006 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_6fce 1
. 8 . 898 . 1 1 5 TRP HD1 H 5.681 0.537 4.471 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_6fce 1
. 8 . 899 . 1 1 5 TRP HE1 H 4.928 2.463 6.156 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_6fce 1
. 8 . 900 . 1 1 5 TRP HE3 H 0.908 0.666 2.977 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_6fce 1
. 8 . 901 . 1 1 5 TRP HH2 H 0.069 3.888 5.706 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_6fce 1
. 8 . 902 . 1 1 5 TRP HZ2 H 2.412 3.815 6.552 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_6fce 1
. 8 . 903 . 1 1 5 TRP HZ3 H -0.660 2.321 3.899 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_6fce 1
. 8 . 904 . 1 1 5 TRP N N 2.940 1.032 0.942 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_6fce 1
. 8 . 905 . 1 1 5 TRP NE1 N 4.323 1.960 5.494 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_6fce 1
. 8 . 906 . 1 1 5 TRP O O 5.001 -1.917 0.172 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_6fce 1
. 8 . 907 . 1 1 6 ASP C C 3.565 -2.560 -2.649 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_6fce 1
. 8 . 908 . 1 1 6 ASP CA C 2.761 -2.791 -1.324 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_6fce 1
. 8 . 909 . 1 1 6 ASP CB C 1.273 -3.112 -1.656 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_6fce 1
. 8 . 910 . 1 1 6 ASP CG C 0.311 -3.501 -0.520 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_6fce 1
. 8 . 911 . 1 1 6 ASP H H 2.007 -1.075 -0.147 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_6fce 1
. 8 . 912 . 1 1 6 ASP HA H 3.216 -3.694 -0.870 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_6fce 1
. 8 . 913 . 1 1 6 ASP HB2 H 0.827 -2.242 -2.175 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_6fce 1
. 8 . 914 . 1 1 6 ASP HB3 H 1.230 -3.924 -2.406 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_6fce 1
. 8 . 915 . 1 1 6 ASP N N 2.810 -1.696 -0.311 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_6fce 1
. 8 . 916 . 1 1 6 ASP O O 4.071 -3.504 -3.246 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_6fce 1
. 8 . 917 . 1 1 6 ASP OD1 O -0.710 -2.843 -0.334 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_6fce 1
. 8 . 918 . 1 1 7 NH2 HN1 H 4.351 -1.365 -3.982 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . rr_6fce 1
. 8 . 919 . 1 1 7 NH2 HN2 H 3.470 -0.566 -2.579 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . rr_6fce 1
. 8 . 920 . 1 1 7 NH2 N N 3.711 -1.361 -3.184 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . rr_6fce 1
. 9 . 921 . 1 1 1 AC5 C C -1.134 -4.374 2.228 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 C . . . . . . . . . rr_6fce 1
. 9 . 922 . 1 1 1 AC5 CA C -0.370 -5.264 1.147 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CA . . . . . . . . . rr_6fce 1
. 9 . 923 . 1 1 1 AC5 CB1 C -1.342 -6.112 0.303 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB1 . . . . . . . . . rr_6fce 1
. 9 . 924 . 1 1 1 AC5 CB2 C 0.417 -6.407 1.841 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB2 . . . . . . . . . rr_6fce 1
. 9 . 925 . 1 1 1 AC5 CG1 C -1.663 -7.407 1.069 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG1 . . . . . . . . . rr_6fce 1
. 9 . 926 . 1 1 1 AC5 CG2 C -0.590 -7.523 2.155 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG2 . . . . . . . . . rr_6fce 1
. 9 . 927 . 1 1 1 AC5 HB11 H -0.876 -6.368 -0.663 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB11 . . . . . . . . . rr_6fce 1
. 9 . 928 . 1 1 1 AC5 HB12 H -2.241 -5.517 0.058 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB12 . . . . . . . . . rr_6fce 1
. 9 . 929 . 1 1 1 AC5 HB21 H 0.951 -6.062 2.749 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB21 . . . . . . . . . rr_6fce 1
. 9 . 930 . 1 1 1 AC5 HB22 H 1.200 -6.831 1.181 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB22 . . . . . . . . . rr_6fce 1
. 9 . 931 . 1 1 1 AC5 HG11 H -2.672 -7.357 1.524 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG11 . . . . . . . . . rr_6fce 1
. 9 . 932 . 1 1 1 AC5 HG12 H -1.663 -8.285 0.394 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG12 . . . . . . . . . rr_6fce 1
. 9 . 933 . 1 1 1 AC5 HG21 H -0.117 -8.523 2.184 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG21 . . . . . . . . . rr_6fce 1
. 9 . 934 . 1 1 1 AC5 HG22 H -1.043 -7.359 3.154 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG22 . . . . . . . . . rr_6fce 1
. 9 . 935 . 1 1 1 AC5 N N 0.587 -4.575 0.204 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 N . . . . . . . . . rr_6fce 1
. 9 . 936 . 1 1 1 AC5 O O -2.277 -4.630 2.626 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 O . . . . . . . . . rr_6fce 1
. 9 . 937 . 1 1 2 HIS C C -1.481 -0.943 2.994 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . rr_6fce 1
. 9 . 938 . 1 1 2 HIS CA C -1.018 -2.307 3.625 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . rr_6fce 1
. 9 . 939 . 1 1 2 HIS CB C 0.071 -2.074 4.713 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . rr_6fce 1
. 9 . 940 . 1 1 2 HIS CD2 C -0.290 -4.374 5.945 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . rr_6fce 1
. 9 . 941 . 1 1 2 HIS CE1 C 1.381 -4.319 7.203 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . rr_6fce 1
. 9 . 942 . 1 1 2 HIS CG C 0.415 -3.183 5.710 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . rr_6fce 1
. 9 . 943 . 1 1 2 HIS H H 0.398 -3.230 2.145 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . rr_6fce 1
. 9 . 944 . 1 1 2 HIS HA H -1.927 -2.695 4.118 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . rr_6fce 1
. 9 . 945 . 1 1 2 HIS HB2 H 1.008 -1.763 4.227 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . rr_6fce 1
. 9 . 946 . 1 1 2 HIS HB3 H -0.226 -1.204 5.312 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . rr_6fce 1
. 9 . 947 . 1 1 2 HIS HD1 H 2.229 -2.398 6.634 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . rr_6fce 1
. 9 . 948 . 1 1 2 HIS HD2 H -1.184 -4.644 5.407 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . rr_6fce 1
. 9 . 949 . 1 1 2 HIS HE1 H 2.100 -4.611 7.958 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . rr_6fce 1
. 9 . 950 . 1 1 2 HIS N N -0.454 -3.331 2.698 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . rr_6fce 1
. 9 . 951 . 1 1 2 HIS ND1 N 1.519 -3.130 6.535 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . rr_6fce 1
. 9 . 952 . 1 1 2 HIS NE2 N 0.324 -5.146 6.920 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . rr_6fce 1
. 9 . 953 . 1 1 2 HIS O O -1.982 -0.086 3.726 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . rr_6fce 1
. 9 . 954 . 1 1 3 . C C -0.297 0.945 0.121 . . . 1.0 . . . . . . . . . . . . A . 7 DPN C . . . . . . . . . rr_6fce 1
. 9 . 955 . 1 1 3 . CA C -1.524 0.609 1.032 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CA . . . . . . . . . rr_6fce 1
. 9 . 956 . 1 1 3 . CB C -2.867 0.570 0.259 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CB . . . . . . . . . rr_6fce 1
. 9 . 957 . 1 1 3 . CD1 C -4.039 2.805 0.595 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD1 . . . . . . . . . rr_6fce 1
. 9 . 958 . 1 1 3 . CD2 C -3.084 2.329 -1.573 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD2 . . . . . . . . . rr_6fce 1
. 9 . 959 . 1 1 3 . CE1 C -4.452 4.055 0.137 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE1 . . . . . . . . . rr_6fce 1
. 9 . 960 . 1 1 3 . CE2 C -3.496 3.580 -2.028 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE2 . . . . . . . . . rr_6fce 1
. 9 . 961 . 1 1 3 . CG C -3.351 1.936 -0.257 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CG . . . . . . . . . rr_6fce 1
. 9 . 962 . 1 1 3 . CZ C -4.179 4.441 -1.173 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CZ . . . . . . . . . rr_6fce 1
. 9 . 963 . 1 1 3 . H H -1.034 -1.553 1.154 . . . 1.0 . . . . . . . . . . . . A . 7 DPN H . . . . . . . . . rr_6fce 1
. 9 . 964 . 1 1 3 . HA H -1.614 1.392 1.813 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HA . . . . . . . . . rr_6fce 1
. 9 . 965 . 1 1 3 . HB2 H -2.776 -0.151 -0.574 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB2 . . . . . . . . . rr_6fce 1
. 9 . 966 . 1 1 3 . HB3 H -3.658 0.136 0.904 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB3 . . . . . . . . . rr_6fce 1
. 9 . 967 . 1 1 3 . HD1 H -4.254 2.517 1.614 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD1 . . . . . . . . . rr_6fce 1
. 9 . 968 . 1 1 3 . HD2 H -2.548 1.671 -2.243 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD2 . . . . . . . . . rr_6fce 1
. 9 . 969 . 1 1 3 . HE1 H -4.985 4.724 0.797 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE1 . . . . . . . . . rr_6fce 1
. 9 . 970 . 1 1 3 . HE2 H -3.287 3.880 -3.046 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE2 . . . . . . . . . rr_6fce 1
. 9 . 971 . 1 1 3 . HZ H -4.502 5.409 -1.529 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HZ . . . . . . . . . rr_6fce 1
. 9 . 972 . 1 1 3 . N N -1.300 -0.711 1.683 . . . 1.0 . . . . . . . . . . . . A . 7 DPN N . . . . . . . . . rr_6fce 1
. 9 . 973 . 1 1 3 . O O 0.155 0.127 -0.688 . . . 1.0 . . . . . . . . . . . . A . 7 DPN O . . . . . . . . . rr_6fce 1
. 9 . 974 . 1 1 4 ARG C C 2.808 1.601 -0.228 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . rr_6fce 1
. 9 . 975 . 1 1 4 ARG CA C 1.564 2.555 -0.362 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . rr_6fce 1
. 9 . 976 . 1 1 4 ARG CB C 1.876 4.025 0.050 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . rr_6fce 1
. 9 . 977 . 1 1 4 ARG CD C 2.546 5.723 1.885 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . rr_6fce 1
. 9 . 978 . 1 1 4 ARG CG C 2.306 4.249 1.521 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . rr_6fce 1
. 9 . 979 . 1 1 4 ARG CZ C 3.264 6.900 3.981 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . rr_6fce 1
. 9 . 980 . 1 1 4 ARG H H -0.274 2.785 0.877 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . rr_6fce 1
. 9 . 981 . 1 1 4 ARG HA H 1.361 2.567 -1.443 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . rr_6fce 1
. 9 . 982 . 1 1 4 ARG HB2 H 2.671 4.411 -0.619 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . rr_6fce 1
. 9 . 983 . 1 1 4 ARG HB3 H 0.995 4.654 -0.178 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . rr_6fce 1
. 9 . 984 . 1 1 4 ARG HD2 H 3.318 6.156 1.215 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . rr_6fce 1
. 9 . 985 . 1 1 4 ARG HD3 H 1.614 6.306 1.724 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . rr_6fce 1
. 9 . 986 . 1 1 4 ARG HE H 3.095 4.924 3.851 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . rr_6fce 1
. 9 . 987 . 1 1 4 ARG HG2 H 1.535 3.823 2.189 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . rr_6fce 1
. 9 . 988 . 1 1 4 ARG HG3 H 3.228 3.666 1.717 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . rr_6fce 1
. 9 . 989 . 1 1 4 ARG HH11 H 3.412 8.905 4.050 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . rr_6fce 1
. 9 . 990 . 1 1 4 ARG HH12 H 2.868 8.116 2.491 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . rr_6fce 1
. 9 . 991 . 1 1 4 ARG HH21 H 3.731 5.843 5.593 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . rr_6fce 1
. 9 . 992 . 1 1 4 ARG HH22 H 3.870 7.653 5.717 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . rr_6fce 1
. 9 . 993 . 1 1 4 ARG N N 0.279 2.146 0.300 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . rr_6fce 1
. 9 . 994 . 1 1 4 ARG NE N 2.980 5.786 3.306 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . rr_6fce 1
. 9 . 995 . 1 1 4 ARG NH1 N 3.176 8.101 3.465 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . rr_6fce 1
. 9 . 996 . 1 1 4 ARG NH2 N 3.652 6.789 5.217 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . rr_6fce 1
. 9 . 997 . 1 1 4 ARG O O 3.571 1.401 -1.175 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . rr_6fce 1
. 9 . 998 . 1 1 5 TRP C C 3.928 -1.349 0.328 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_6fce 1
. 9 . 999 . 1 1 5 TRP CA C 3.892 -0.104 1.282 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_6fce 1
. 9 . 1000 . 1 1 5 TRP CB C 3.551 -0.571 2.725 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_6fce 1
. 9 . 1001 . 1 1 5 TRP CD1 C 4.726 0.920 4.593 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_6fce 1
. 9 . 1002 . 1 1 5 TRP CD2 C 2.562 1.253 4.268 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_6fce 1
. 9 . 1003 . 1 1 5 TRP CE2 C 3.015 2.148 5.260 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_6fce 1
. 9 . 1004 . 1 1 5 TRP CE3 C 1.237 1.301 3.801 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_6fce 1
. 9 . 1005 . 1 1 5 TRP CG C 3.615 0.480 3.849 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_6fce 1
. 9 . 1006 . 1 1 5 TRP CH2 C 0.801 3.133 5.336 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_6fce 1
. 9 . 1007 . 1 1 5 TRP CZ2 C 2.120 3.102 5.810 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_6fce 1
. 9 . 1008 . 1 1 5 TRP CZ3 C 0.372 2.244 4.340 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_6fce 1
. 9 . 1009 . 1 1 5 TRP H H 2.187 1.250 1.595 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_6fce 1
. 9 . 1010 . 1 1 5 TRP HA H 4.908 0.328 1.313 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_6fce 1
. 9 . 1011 . 1 1 5 TRP HB2 H 2.550 -1.041 2.721 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_6fce 1
. 9 . 1012 . 1 1 5 TRP HB3 H 4.196 -1.401 3.013 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_6fce 1
. 9 . 1013 . 1 1 5 TRP HD1 H 5.728 0.534 4.456 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_6fce 1
. 9 . 1014 . 1 1 5 TRP HE1 H 4.972 2.423 6.180 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_6fce 1
. 9 . 1015 . 1 1 5 TRP HE3 H 0.937 0.626 3.013 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_6fce 1
. 9 . 1016 . 1 1 5 TRP HH2 H 0.101 3.849 5.742 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_6fce 1
. 9 . 1017 . 1 1 5 TRP HZ2 H 2.446 3.785 6.580 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_6fce 1
. 9 . 1018 . 1 1 5 TRP HZ3 H -0.634 2.267 3.952 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_6fce 1
. 9 . 1019 . 1 1 5 TRP N N 2.939 0.992 0.953 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_6fce 1
. 9 . 1020 . 1 1 5 TRP NE1 N 4.372 1.958 5.487 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_6fce 1
. 9 . 1021 . 1 1 5 TRP O O 4.981 -1.973 0.186 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_6fce 1
. 9 . 1022 . 1 1 6 ASP C C 3.546 -2.574 -2.649 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_6fce 1
. 9 . 1023 . 1 1 6 ASP CA C 2.737 -2.803 -1.326 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_6fce 1
. 9 . 1024 . 1 1 6 ASP CB C 1.246 -3.107 -1.662 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_6fce 1
. 9 . 1025 . 1 1 6 ASP CG C 0.273 -3.501 -0.538 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_6fce 1
. 9 . 1026 . 1 1 6 ASP H H 2.013 -1.063 -0.160 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_6fce 1
. 9 . 1027 . 1 1 6 ASP HA H 3.180 -3.712 -0.877 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_6fce 1
. 9 . 1028 . 1 1 6 ASP HB2 H 0.810 -2.226 -2.174 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_6fce 1
. 9 . 1029 . 1 1 6 ASP HB3 H 1.196 -3.908 -2.423 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_6fce 1
. 9 . 1030 . 1 1 6 ASP N N 2.797 -1.714 -0.310 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_6fce 1
. 9 . 1031 . 1 1 6 ASP O O 4.053 -3.519 -3.245 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_6fce 1
. 9 . 1032 . 1 1 6 ASP OD1 O -0.758 -2.853 -0.370 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_6fce 1
. 9 . 1033 . 1 1 7 NH2 HN1 H 4.333 -1.380 -3.982 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . rr_6fce 1
. 9 . 1034 . 1 1 7 NH2 HN2 H 3.447 -0.579 -2.584 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . rr_6fce 1
. 9 . 1035 . 1 1 7 NH2 N N 3.694 -1.374 -3.185 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . rr_6fce 1
. 10 . 1036 . 1 1 1 AC5 C C -0.926 -4.461 2.410 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 C . . . . . . . . . rr_6fce 1
. 10 . 1037 . 1 1 1 AC5 CA C -0.260 -5.328 1.251 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CA . . . . . . . . . rr_6fce 1
. 10 . 1038 . 1 1 1 AC5 CB1 C -1.324 -6.123 0.440 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB1 . . . . . . . . . rr_6fce 1
. 10 . 1039 . 1 1 1 AC5 CB2 C 0.577 -6.467 1.908 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CB2 . . . . . . . . . rr_6fce 1
. 10 . 1040 . 1 1 1 AC5 CG1 C -1.228 -7.599 0.840 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG1 . . . . . . . . . rr_6fce 1
. 10 . 1041 . 1 1 1 AC5 CG2 C 0.251 -7.772 1.171 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 CG2 . . . . . . . . . rr_6fce 1
. 10 . 1042 . 1 1 1 AC5 HB11 H -1.152 -6.026 -0.647 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB11 . . . . . . . . . rr_6fce 1
. 10 . 1043 . 1 1 1 AC5 HB12 H -2.337 -5.712 0.598 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB12 . . . . . . . . . rr_6fce 1
. 10 . 1044 . 1 1 1 AC5 HB21 H 0.299 -6.603 2.972 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB21 . . . . . . . . . rr_6fce 1
. 10 . 1045 . 1 1 1 AC5 HB22 H 1.666 -6.257 1.941 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HB22 . . . . . . . . . rr_6fce 1
. 10 . 1046 . 1 1 1 AC5 HG11 H -1.855 -7.801 1.733 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG11 . . . . . . . . . rr_6fce 1
. 10 . 1047 . 1 1 1 AC5 HG12 H -1.572 -8.284 0.042 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG12 . . . . . . . . . rr_6fce 1
. 10 . 1048 . 1 1 1 AC5 HG21 H 0.853 -7.866 0.245 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG21 . . . . . . . . . rr_6fce 1
. 10 . 1049 . 1 1 1 AC5 HG22 H 0.450 -8.672 1.784 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 HG22 . . . . . . . . . rr_6fce 1
. 10 . 1050 . 1 1 1 AC5 N N 0.659 -4.655 0.259 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 N . . . . . . . . . rr_6fce 1
. 10 . 1051 . 1 1 1 AC5 O O -1.932 -4.844 3.015 . . . 1.0 . . . . . . . . . . . . A . 5 AC5 O . . . . . . . . . rr_6fce 1
. 10 . 1052 . 1 1 2 HIS C C -1.336 -0.944 3.118 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . rr_6fce 1
. 10 . 1053 . 1 1 2 HIS CA C -0.844 -2.321 3.705 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . rr_6fce 1
. 10 . 1054 . 1 1 2 HIS CB C 0.290 -2.169 4.764 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . rr_6fce 1
. 10 . 1055 . 1 1 2 HIS CD2 C -0.522 -2.584 7.179 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . rr_6fce 1
. 10 . 1056 . 1 1 2 HIS CE1 C -0.624 -0.609 7.871 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . rr_6fce 1
. 10 . 1057 . 1 1 2 HIS CG C -0.155 -1.716 6.146 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . rr_6fce 1
. 10 . 1058 . 1 1 2 HIS H H 0.365 -3.138 1.977 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . rr_6fce 1
. 10 . 1059 . 1 1 2 HIS HA H -1.737 -2.736 4.206 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . rr_6fce 1
. 10 . 1060 . 1 1 2 HIS HB2 H 0.829 -3.127 4.907 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . rr_6fce 1
. 10 . 1061 . 1 1 2 HIS HB3 H 1.070 -1.486 4.399 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . rr_6fce 1
. 10 . 1062 . 1 1 2 HIS HD1 H -0.081 0.455 6.049 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . rr_6fce 1
. 10 . 1063 . 1 1 2 HIS HD2 H -0.530 -3.658 7.069 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . rr_6fce 1
. 10 . 1064 . 1 1 2 HIS HE1 H -0.811 0.235 8.522 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . rr_6fce 1
. 10 . 1065 . 1 1 2 HIS N N -0.316 -3.318 2.721 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . rr_6fce 1
. 10 . 1066 . 1 1 2 HIS ND1 N -0.194 -0.411 6.587 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . rr_6fce 1
. 10 . 1067 . 1 1 2 HIS NE2 N -0.844 -1.883 8.335 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . rr_6fce 1
. 10 . 1068 . 1 1 2 HIS O O -1.784 -0.082 3.879 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . rr_6fce 1
. 10 . 1069 . 1 1 3 . C C -0.329 0.940 0.181 . . . 1.0 . . . . . . . . . . . . A . 7 DPN C . . . . . . . . . rr_6fce 1
. 10 . 1070 . 1 1 3 . CA C -1.505 0.609 1.157 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CA . . . . . . . . . rr_6fce 1
. 10 . 1071 . 1 1 3 . CB C -2.891 0.575 0.464 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CB . . . . . . . . . rr_6fce 1
. 10 . 1072 . 1 1 3 . CD1 C -3.212 2.349 -1.337 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD1 . . . . . . . . . rr_6fce 1
. 10 . 1073 . 1 1 3 . CD2 C -4.036 2.811 0.887 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CD2 . . . . . . . . . rr_6fce 1
. 10 . 1074 . 1 1 3 . CE1 C -3.647 3.605 -1.757 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE1 . . . . . . . . . rr_6fce 1
. 10 . 1075 . 1 1 3 . CE2 C -4.471 4.064 0.465 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CE2 . . . . . . . . . rr_6fce 1
. 10 . 1076 . 1 1 3 . CG C -3.402 1.944 -0.011 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CG . . . . . . . . . rr_6fce 1
. 10 . 1077 . 1 1 3 . CZ C -4.276 4.461 -0.856 . . . 1.0 . . . . . . . . . . . . A . 7 DPN CZ . . . . . . . . . rr_6fce 1
. 10 . 1078 . 1 1 3 . H H -0.987 -1.548 1.255 . . . 1.0 . . . . . . . . . . . . A . 7 DPN H . . . . . . . . . rr_6fce 1
. 10 . 1079 . 1 1 3 . HA H -1.548 1.392 1.943 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HA . . . . . . . . . rr_6fce 1
. 10 . 1080 . 1 1 3 . HB2 H -2.852 -0.139 -0.377 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB2 . . . . . . . . . rr_6fce 1
. 10 . 1081 . 1 1 3 . HB3 H -3.643 0.138 1.151 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HB3 . . . . . . . . . rr_6fce 1
. 10 . 1082 . 1 1 3 . HD1 H -2.718 1.697 -2.043 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD1 . . . . . . . . . rr_6fce 1
. 10 . 1083 . 1 1 3 . HD2 H -4.191 2.513 1.916 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HD2 . . . . . . . . . rr_6fce 1
. 10 . 1084 . 1 1 3 . HE1 H -3.498 3.914 -2.782 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE1 . . . . . . . . . rr_6fce 1
. 10 . 1085 . 1 1 3 . HE2 H -4.962 4.730 1.162 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HE2 . . . . . . . . . rr_6fce 1
. 10 . 1086 . 1 1 3 . HZ H -4.616 5.433 -1.183 . . . 1.0 . . . . . . . . . . . . A . 7 DPN HZ . . . . . . . . . rr_6fce 1
. 10 . 1087 . 1 1 3 . N N -1.248 -0.711 1.796 . . . 1.0 . . . . . . . . . . . . A . 7 DPN N . . . . . . . . . rr_6fce 1
. 10 . 1088 . 1 1 3 . O O 0.093 0.112 -0.635 . . . 1.0 . . . . . . . . . . . . A . 7 DPN O . . . . . . . . . rr_6fce 1
. 10 . 1089 . 1 1 4 ARG C C 2.761 1.603 -0.259 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . rr_6fce 1
. 10 . 1090 . 1 1 4 ARG CA C 1.510 2.547 -0.395 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . rr_6fce 1
. 10 . 1091 . 1 1 4 ARG CB C 1.823 4.030 -0.031 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . rr_6fce 1
. 10 . 1092 . 1 1 4 ARG CD C 2.524 5.776 1.750 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . rr_6fce 1
. 10 . 1093 . 1 1 4 ARG CG C 2.286 4.294 1.424 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . rr_6fce 1
. 10 . 1094 . 1 1 4 ARG CZ C 3.278 7.000 3.806 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . rr_6fce 1
. 10 . 1095 . 1 1 4 ARG H H -0.291 2.799 0.895 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . rr_6fce 1
. 10 . 1096 . 1 1 4 ARG HA H 1.283 2.524 -1.470 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . rr_6fce 1
. 10 . 1097 . 1 1 4 ARG HB2 H 2.599 4.402 -0.727 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . rr_6fce 1
. 10 . 1098 . 1 1 4 ARG HB3 H 0.932 4.647 -0.254 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . rr_6fce 1
. 10 . 1099 . 1 1 4 ARG HD2 H 3.278 6.197 1.054 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . rr_6fce 1
. 10 . 1100 . 1 1 4 ARG HD3 H 1.585 6.350 1.596 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . rr_6fce 1
. 10 . 1101 . 1 1 4 ARG HE H 3.121 5.022 3.721 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . rr_6fce 1
. 10 . 1102 . 1 1 4 ARG HG2 H 1.533 3.878 2.120 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . rr_6fce 1
. 10 . 1103 . 1 1 4 ARG HG3 H 3.216 3.721 1.612 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . rr_6fce 1
. 10 . 1104 . 1 1 4 ARG HH11 H 3.917 7.792 5.514 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . rr_6fce 1
. 10 . 1105 . 1 1 4 ARG HH12 H 3.786 5.979 5.429 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . rr_6fce 1
. 10 . 1106 . 1 1 4 ARG HH21 H 2.841 8.184 2.301 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . rr_6fce 1
. 10 . 1107 . 1 1 4 ARG HH22 H 3.414 9.007 3.831 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . rr_6fce 1
. 10 . 1108 . 1 1 4 ARG N N 0.243 2.149 0.310 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . rr_6fce 1
. 10 . 1109 . 1 1 4 ARG NE N 2.987 5.871 3.161 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . rr_6fce 1
. 10 . 1110 . 1 1 4 ARG NH1 N 3.694 6.917 5.035 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . rr_6fce 1
. 10 . 1111 . 1 1 4 ARG NH2 N 3.169 8.191 3.268 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . rr_6fce 1
. 10 . 1112 . 1 1 4 ARG O O 3.508 1.382 -1.212 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . rr_6fce 1
. 10 . 1113 . 1 1 5 TRP C C 3.937 -1.315 0.355 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_6fce 1
. 10 . 1114 . 1 1 5 TRP CA C 3.886 -0.050 1.283 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_6fce 1
. 10 . 1115 . 1 1 5 TRP CB C 3.550 -0.484 2.738 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_6fce 1
. 10 . 1116 . 1 1 5 TRP CD1 C 4.757 1.019 4.573 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_6fce 1
. 10 . 1117 . 1 1 5 TRP CD2 C 2.597 1.381 4.258 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_6fce 1
. 10 . 1118 . 1 1 5 TRP CE2 C 3.070 2.275 5.243 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_6fce 1
. 10 . 1119 . 1 1 5 TRP CE3 C 1.268 1.437 3.811 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_6fce 1
. 10 . 1120 . 1 1 5 TRP CG C 3.636 0.589 3.839 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_6fce 1
. 10 . 1121 . 1 1 5 TRP CH2 C 0.863 3.273 5.349 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_6fce 1
. 10 . 1122 . 1 1 5 TRP CZ2 C 2.187 3.234 5.804 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_6fce 1
. 10 . 1123 . 1 1 5 TRP CZ3 C 0.415 2.387 4.359 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_6fce 1
. 10 . 1124 . 1 1 5 TRP H H 2.172 1.297 1.582 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_6fce 1
. 10 . 1125 . 1 1 5 TRP HA H 4.895 0.395 1.302 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_6fce 1
. 10 . 1126 . 1 1 5 TRP HB2 H 2.544 -0.947 2.751 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_6fce 1
. 10 . 1127 . 1 1 5 TRP HB3 H 4.189 -1.315 3.038 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_6fce 1
. 10 . 1128 . 1 1 5 TRP HD1 H 5.750 0.613 4.440 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_6fce 1
. 10 . 1129 . 1 1 5 TRP HE1 H 5.033 2.524 6.155 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_6fce 1
. 10 . 1130 . 1 1 5 TRP HE3 H 0.951 0.756 3.035 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_6fce 1
. 10 . 1131 . 1 1 5 TRP HH2 H 0.173 3.995 5.762 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_6fce 1
. 10 . 1132 . 1 1 5 TRP HZ2 H 2.528 3.915 6.571 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_6fce 1
. 10 . 1133 . 1 1 5 TRP HZ3 H -0.596 2.412 3.988 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_6fce 1
. 10 . 1134 . 1 1 5 TRP N N 2.917 1.027 0.937 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_6fce 1
. 10 . 1135 . 1 1 5 TRP NE1 N 4.425 2.069 5.462 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_6fce 1
. 10 . 1136 . 1 1 5 TRP O O 5.003 -1.920 0.221 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_6fce 1
. 10 . 1137 . 1 1 6 ASP C C 3.571 -2.590 -2.603 . . . 1.0 . . . . . . . . . . . . A . 10 ASP C . . . . . . . . . rr_6fce 1
. 10 . 1138 . 1 1 6 ASP CA C 2.774 -2.819 -1.273 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CA . . . . . . . . . rr_6fce 1
. 10 . 1139 . 1 1 6 ASP CB C 1.289 -3.166 -1.598 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CB . . . . . . . . . rr_6fce 1
. 10 . 1140 . 1 1 6 ASP CG C 0.341 -3.562 -0.454 . . . 1.0 . . . . . . . . . . . . A . 10 ASP CG . . . . . . . . . rr_6fce 1
. 10 . 1141 . 1 1 6 ASP H H 2.010 -1.087 -0.124 . . . 1.0 . . . . . . . . . . . . A . 10 ASP H . . . . . . . . . rr_6fce 1
. 10 . 1142 . 1 1 6 ASP HA H 3.241 -3.711 -0.812 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HA . . . . . . . . . rr_6fce 1
. 10 . 1143 . 1 1 6 ASP HB2 H 0.827 -2.302 -2.117 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB2 . . . . . . . . . rr_6fce 1
. 10 . 1144 . 1 1 6 ASP HB3 H 1.253 -3.979 -2.345 . . . 1.0 . . . . . . . . . . . . A . 10 ASP HB3 . . . . . . . . . rr_6fce 1
. 10 . 1145 . 1 1 6 ASP N N 2.812 -1.713 -0.272 . . . 1.0 . . . . . . . . . . . . A . 10 ASP N . . . . . . . . . rr_6fce 1
. 10 . 1146 . 1 1 6 ASP O O 4.090 -3.534 -3.189 . . . 1.0 . . . . . . . . . . . . A . 10 ASP O . . . . . . . . . rr_6fce 1
. 10 . 1147 . 1 1 6 ASP OD1 O -0.664 -2.891 -0.233 . . . 1.0 . . . . . . . . . . . . A . 10 ASP OD1 . . . . . . . . . rr_6fce 1
. 10 . 1148 . 1 1 7 NH2 HN1 H 4.331 -1.401 -3.953 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN1 . . . . . . . . . rr_6fce 1
. 10 . 1149 . 1 1 7 NH2 HN2 H 3.441 -0.598 -2.559 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 HN2 . . . . . . . . . rr_6fce 1
. 10 . 1150 . 1 1 7 NH2 N N 3.696 -1.397 -3.153 . . . 1.0 . . . . . . . . . . . . A . 11 NH2 N . . . . . . . . . rr_6fce 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_6fce
_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 6fce.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6fce 1
1 6fce.mr . . DYANA/DIANA 2 distance NOE simple 74 rr_6fce 1
1 6fce.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6fce 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_6fce
_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: '6fce'" . . . . distance "general distance" . 44 rr_6fce 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 6fce.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6fce 1
1 6fce.mr . . DYANA/DIANA 2 distance NOE simple 74 rr_6fce 1
1 6fce.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6fce 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_6fce
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_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_6fce 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 OR . 1 1 2 2 HIS H H . . . 1 1 1 1 AC5 HB12 H . . . . . . . 3.53 . . . . . A . 6 HIS H . . A . 5 AC5 HB12 . . . 6 HIS HN . . . . . 5 ACP QB1 . . rr_6fce 1
1 2 OR . 1 1 1 1 AC5 HB11 H . . . 1 1 2 2 HIS H H . . . . . . . 3.53 . . . . . A . 5 AC5 HB11 . . A . 6 HIS H . . . 5 ACP QB1 . . . . . 6 HIS HN . . rr_6fce 1
2 1 . . 1 1 2 2 HIS H H . . . 1 1 1 1 AC5 HB21 H . . . . . . . 3.70 . . . . . A . 6 HIS H . . A . 5 AC5 HB21 . . . 6 HIS HN . . . . . 5 ACP HB21 . . rr_6fce 1
3 1 . . 1 1 1 1 AC5 HB22 H . . . 1 1 2 2 HIS H H . . . . . . . 3.70 . . . . . A . 5 AC5 HB22 . . A . 6 HIS H . . . 5 ACP HB22 . . . . . 6 HIS HN . . rr_6fce 1
4 1 OR . 1 1 2 2 HIS H H . . . 1 1 1 1 AC5 HB21 H . . . . . . . 3.12 . . . . . A . 6 HIS H . . A . 5 AC5 HB21 . . . 6 HIS HN . . . . . 5 ACP QB2 . . rr_6fce 1
4 2 OR . 1 1 1 1 AC5 HB22 H . . . 1 1 2 2 HIS H H . . . . . . . 3.12 . . . . . A . 5 AC5 HB22 . . A . 6 HIS H . . . 5 ACP QB2 . . . . . 6 HIS HN . . rr_6fce 1
5 1 OR . 1 1 2 2 HIS HD2 H . . . 1 1 1 1 AC5 HB21 H . . . . . . . 5.34 . . . . . A . 6 HIS HD2 . . A . 5 AC5 HB21 . . . 6 HIS HD2 . . . . . 5 ACP QB2 . . rr_6fce 1
5 2 OR . 1 1 1 1 AC5 HB22 H . . . 1 1 2 2 HIS HD2 H . . . . . . . 5.34 . . . . . A . 5 AC5 HB22 . . A . 6 HIS HD2 . . . 5 ACP QB2 . . . . . 6 HIS HD2 . . rr_6fce 1
6 1 OR . 1 1 2 2 HIS H H . . . 1 1 1 1 AC5 HG12 H . . . . . . . 5.79 . . . . . A . 6 HIS H . . A . 5 AC5 HG12 . . . 6 HIS HN . . . . . 5 ACP QG1 . . rr_6fce 1
6 2 OR . 1 1 1 1 AC5 HG11 H . . . 1 1 2 2 HIS H H . . . . . . . 5.79 . . . . . A . 5 AC5 HG11 . . A . 6 HIS H . . . 5 ACP QG1 . . . . . 6 HIS HN . . rr_6fce 1
7 1 . . 1 1 2 2 HIS H H . . . 1 1 2 2 HIS HB2 H . . . . . . . 3.05 . . . . . A . 6 HIS H . . A . 6 HIS HB2 . . . 6 HIS HN . . . . . 6 HIS HB2 . . rr_6fce 1
8 1 . . 1 1 2 2 HIS H H . . . 1 1 2 2 HIS HB3 H . . . . . . . 3.05 . . . . . A . 6 HIS H . . A . 6 HIS HB3 . . . 6 HIS HN . . . . . 6 HIS HB3 . . rr_6fce 1
9 1 OR . 1 1 2 2 HIS H H . . . 1 1 6 6 ASP HB2 H . . . . . . . 4.64 . . . . . A . 6 HIS H . . A . 10 ASP HB2 . . . 6 HIS HN . . . . . 10 ASP QB . . rr_6fce 1
9 2 OR . 1 1 2 2 HIS H H . . . 1 1 6 6 ASP HB3 H . . . . . . . 4.64 . . . . . A . 6 HIS H . . A . 10 ASP HB3 . . . 6 HIS HN . . . . . 10 ASP QB . . rr_6fce 1
10 1 . . 1 1 2 2 HIS HD2 H . . . 1 1 2 2 HIS HA H . . . . . . . 4.38 . . . . . A . 6 HIS HD2 . . A . 6 HIS HA . . . 6 HIS HD2 . . . . . 6 HIS HA . . rr_6fce 1
11 1 . . 1 1 2 2 HIS HD2 H . . . 1 1 2 2 HIS HB2 H . . . . . . . 3.36 . . . . . A . 6 HIS HD2 . . A . 6 HIS HB2 . . . 6 HIS HD2 . . . . . 6 HIS HB2 . . rr_6fce 1
12 1 . . 1 1 2 2 HIS HD2 H . . . 1 1 2 2 HIS HB3 H . . . . . . . 3.36 . . . . . A . 6 HIS HD2 . . A . 6 HIS HB3 . . . 6 HIS HD2 . . . . . 6 HIS HB3 . . rr_6fce 1
13 1 OR . 1 1 5 5 TRP HE3 H . . . 1 1 2 2 HIS HB3 H . . . . . . . 4.68 . . . . . A . 9 TRP HE3 . . A . 6 HIS HB3 . . . 9 TRP HE3 . . . . . 6 HIS QB . . rr_6fce 1
13 2 OR . 1 1 2 2 HIS HB2 H . . . 1 1 5 5 TRP HE3 H . . . . . . . 4.68 . . . . . A . 6 HIS HB2 . . A . 9 TRP HE3 . . . 6 HIS QB . . . . . 9 TRP HE3 . . rr_6fce 1
14 1 . . 1 1 4 4 ARG H H . . . 1 1 5 5 TRP H H . . . . . . . 3.27 . . . . . A . 8 ARG H . . A . 9 TRP H . . . 8 ARG HN . . . . . 9 TRP HN . . rr_6fce 1
15 1 . . 1 1 6 6 ASP H H . . . 1 1 4 4 ARG H H . . . . . . . 4.33 . . . . . A . 10 ASP H . . A . 8 ARG H . . . 10 ASP HN . . . . . 8 ARG HN . . rr_6fce 1
16 1 OR . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HB3 H . . . . . . . 2.66 . . . . . A . 8 ARG HA . . A . 8 ARG HB3 . . . 8 ARG HA . . . . . 8 ARG QB . . rr_6fce 1
16 2 OR . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HB2 H . . . . . . . 2.66 . . . . . A . 8 ARG HA . . A . 8 ARG HB2 . . . 8 ARG HA . . . . . 8 ARG QB . . rr_6fce 1
17 1 . . 1 1 5 5 TRP H H . . . 1 1 4 4 ARG HA H . . . . . . . 2.99 . . . . . A . 9 TRP H . . A . 8 ARG HA . . . 9 TRP HN . . . . . 8 ARG HA . . rr_6fce 1
18 1 . . 1 1 6 6 ASP H H . . . 1 1 4 4 ARG HA H . . . . . . . 3.73 . . . . . A . 10 ASP H . . A . 8 ARG HA . . . 10 ASP HN . . . . . 8 ARG HA . . rr_6fce 1
19 1 . . 1 1 5 5 TRP H H . . . 1 1 4 4 ARG HB2 H . . . . . . . 3.89 . . . . . A . 9 TRP H . . A . 8 ARG HB2 . . . 9 TRP HN . . . . . 8 ARG HB2 . . rr_6fce 1
20 1 . . 1 1 5 5 TRP HE3 H . . . 1 1 4 4 ARG HB2 H . . . . . . . 5.50 . . . . . A . 9 TRP HE3 . . A . 8 ARG HB2 . . . 9 TRP HE3 . . . . . 8 ARG HB2 . . rr_6fce 1
21 1 . . 1 1 5 5 TRP H H . . . 1 1 4 4 ARG HB3 H . . . . . . . 3.89 . . . . . A . 9 TRP H . . A . 8 ARG HB3 . . . 9 TRP HN . . . . . 8 ARG HB3 . . rr_6fce 1
22 1 . . 1 1 5 5 TRP HE3 H . . . 1 1 4 4 ARG HB3 H . . . . . . . 5.50 . . . . . A . 9 TRP HE3 . . A . 8 ARG HB3 . . . 9 TRP HE3 . . . . . 8 ARG HB3 . . rr_6fce 1
23 1 OR . 1 1 5 5 TRP HZ3 H . . . 1 1 4 4 ARG HB3 H . . . . . . . 5.34 . . . . . A . 9 TRP HZ3 . . A . 8 ARG HB3 . . . 9 TRP HZ3 . . . . . 8 ARG QB . . rr_6fce 1
23 2 OR . 1 1 5 5 TRP HZ3 H . . . 1 1 4 4 ARG HB2 H . . . . . . . 5.34 . . . . . A . 9 TRP HZ3 . . A . 8 ARG HB2 . . . 9 TRP HZ3 . . . . . 8 ARG QB . . rr_6fce 1
24 1 OR . 1 1 5 5 TRP H H . . . 1 1 4 4 ARG HG2 H . . . . . . . 5.02 . . . . . A . 9 TRP H . . A . 8 ARG HG2 . . . 9 TRP HN . . . . . 8 ARG QG . . rr_6fce 1
24 2 OR . 1 1 4 4 ARG HG3 H . . . 1 1 5 5 TRP H H . . . . . . . 5.02 . . . . . A . 8 ARG HG3 . . A . 9 TRP H . . . 8 ARG QG . . . . . 9 TRP HN . . rr_6fce 1
25 1 OR . 1 1 5 5 TRP HE3 H . . . 1 1 4 4 ARG HG2 H . . . . . . . 5.34 . . . . . A . 9 TRP HE3 . . A . 8 ARG HG2 . . . 9 TRP HE3 . . . . . 8 ARG QG . . rr_6fce 1
25 2 OR . 1 1 5 5 TRP HE3 H . . . 1 1 4 4 ARG HG3 H . . . . . . . 5.34 . . . . . A . 9 TRP HE3 . . A . 8 ARG HG3 . . . 9 TRP HE3 . . . . . 8 ARG QG . . rr_6fce 1
26 1 OR . 1 1 5 5 TRP HZ3 H . . . 1 1 4 4 ARG HG2 H . . . . . . . 5.34 . . . . . A . 9 TRP HZ3 . . A . 8 ARG HG2 . . . 9 TRP HZ3 . . . . . 8 ARG QG . . rr_6fce 1
26 2 OR . 1 1 5 5 TRP HZ3 H . . . 1 1 4 4 ARG HG3 H . . . . . . . 5.34 . . . . . A . 9 TRP HZ3 . . A . 8 ARG HG3 . . . 9 TRP HZ3 . . . . . 8 ARG QG . . rr_6fce 1
27 1 OR . 1 1 5 5 TRP HZ2 H . . . 1 1 4 4 ARG HG2 H . . . . . . . 5.34 . . . . . A . 9 TRP HZ2 . . A . 8 ARG HG2 . . . 9 TRP HZ2 . . . . . 8 ARG QG . . rr_6fce 1
27 2 OR . 1 1 4 4 ARG HG3 H . . . 1 1 5 5 TRP HZ2 H . . . . . . . 5.34 . . . . . A . 8 ARG HG3 . . A . 9 TRP HZ2 . . . 8 ARG QG . . . . . 9 TRP HZ2 . . rr_6fce 1
28 1 OR . 1 1 5 5 TRP HE3 H . . . 1 1 4 4 ARG HD2 H . . . . . . . 6.38 . . . . . A . 9 TRP HE3 . . A . 8 ARG HD2 . . . 9 TRP HE3 . . . . . 8 ARG QD . . rr_6fce 1
28 2 OR . 1 1 5 5 TRP HE3 H . . . 1 1 4 4 ARG HD3 H . . . . . . . 6.38 . . . . . A . 9 TRP HE3 . . A . 8 ARG HD3 . . . 9 TRP HE3 . . . . . 8 ARG QD . . rr_6fce 1
29 1 OR . 1 1 5 5 TRP HZ3 H . . . 1 1 4 4 ARG HD2 H . . . . . . . 5.73 . . . . . A . 9 TRP HZ3 . . A . 8 ARG HD2 . . . 9 TRP HZ3 . . . . . 8 ARG QD . . rr_6fce 1
29 2 OR . 1 1 5 5 TRP HZ3 H . . . 1 1 4 4 ARG HD3 H . . . . . . . 5.73 . . . . . A . 9 TRP HZ3 . . A . 8 ARG HD3 . . . 9 TRP HZ3 . . . . . 8 ARG QD . . rr_6fce 1
30 1 OR . 1 1 5 5 TRP HZ2 H . . . 1 1 4 4 ARG HD2 H . . . . . . . 6.38 . . . . . A . 9 TRP HZ2 . . A . 8 ARG HD2 . . . 9 TRP HZ2 . . . . . 8 ARG QD . . rr_6fce 1
30 2 OR . 1 1 5 5 TRP HZ2 H . . . 1 1 4 4 ARG HD3 H . . . . . . . 6.38 . . . . . A . 9 TRP HZ2 . . A . 8 ARG HD3 . . . 9 TRP HZ2 . . . . . 8 ARG QD . . rr_6fce 1
31 1 OR . 1 1 5 5 TRP HH2 H . . . 1 1 4 4 ARG HD2 H . . . . . . . 6.38 . . . . . A . 9 TRP HH2 . . A . 8 ARG HD2 . . . 9 TRP HH2 . . . . . 8 ARG QD . . rr_6fce 1
31 2 OR . 1 1 5 5 TRP HH2 H . . . 1 1 4 4 ARG HD3 H . . . . . . . 6.38 . . . . . A . 9 TRP HH2 . . A . 8 ARG HD3 . . . 9 TRP HH2 . . . . . 8 ARG QD . . rr_6fce 1
32 1 . . 1 1 5 5 TRP H H . . . 1 1 5 5 TRP HB2 H . . . . . . . 3.11 . . . . . A . 9 TRP H . . A . 9 TRP HB2 . . . 9 TRP HN . . . . . 9 TRP HB2 . . rr_6fce 1
33 1 . . 1 1 5 5 TRP H H . . . 1 1 5 5 TRP HB3 H . . . . . . . 3.24 . . . . . A . 9 TRP H . . A . 9 TRP HB3 . . . 9 TRP HN . . . . . 9 TRP HB3 . . rr_6fce 1
34 1 . . 1 1 5 5 TRP HE3 H . . . 1 1 5 5 TRP H H . . . . . . . 3.67 . . . . . A . 9 TRP HE3 . . A . 9 TRP H . . . 9 TRP HE3 . . . . . 9 TRP HN . . rr_6fce 1
35 1 . . 1 1 5 5 TRP HA H . . . 1 1 5 5 TRP HD1 H . . . . . . . 3.02 . . . . . A . 9 TRP HA . . A . 9 TRP HD1 . . . 9 TRP HA . . . . . 9 TRP HD1 . . rr_6fce 1
36 1 . . 1 1 5 5 TRP HE3 H . . . 1 1 5 5 TRP HA H . . . . . . . 3.79 . . . . . A . 9 TRP HE3 . . A . 9 TRP HA . . . 9 TRP HE3 . . . . . 9 TRP HA . . rr_6fce 1
37 1 . . 1 1 5 5 TRP HE3 H . . . 1 1 5 5 TRP HB2 H . . . . . . . 3.27 . . . . . A . 9 TRP HE3 . . A . 9 TRP HB2 . . . 9 TRP HE3 . . . . . 9 TRP HB2 . . rr_6fce 1
38 1 . . 1 1 5 5 TRP HZ3 H . . . 1 1 5 5 TRP HB2 H . . . . . . . 5.07 . . . . . A . 9 TRP HZ3 . . A . 9 TRP HB2 . . . 9 TRP HZ3 . . . . . 9 TRP HB2 . . rr_6fce 1
39 1 . . 1 1 6 6 ASP H H . . . 1 1 5 5 TRP HB2 H . . . . . . . 3.55 . . . . . A . 10 ASP H . . A . 9 TRP HB2 . . . 10 ASP HN . . . . . 9 TRP HB2 . . rr_6fce 1
40 1 . . 1 1 5 5 TRP HB3 H . . . 1 1 5 5 TRP HD1 H . . . . . . . 3.48 . . . . . A . 9 TRP HB3 . . A . 9 TRP HD1 . . . 9 TRP HB3 . . . . . 9 TRP HD1 . . rr_6fce 1
41 1 . . 1 1 5 5 TRP HE3 H . . . 1 1 5 5 TRP HB3 H . . . . . . . 3.45 . . . . . A . 9 TRP HE3 . . A . 9 TRP HB3 . . . 9 TRP HE3 . . . . . 9 TRP HB3 . . rr_6fce 1
42 1 . . 1 1 5 5 TRP HZ3 H . . . 1 1 5 5 TRP HB3 H . . . . . . . 5.50 . . . . . A . 9 TRP HZ3 . . A . 9 TRP HB3 . . . 9 TRP HZ3 . . . . . 9 TRP HB3 . . rr_6fce 1
43 1 . . 1 1 6 6 ASP H H . . . 1 1 5 5 TRP HB3 H . . . . . . . 3.61 . . . . . A . 10 ASP H . . A . 9 TRP HB3 . . . 10 ASP HN . . . . . 9 TRP HB3 . . rr_6fce 1
44 1 OR . 1 1 6 6 ASP H H . . . 1 1 6 6 ASP HB2 H . . . . . . . 4.11 . . . . . A . 10 ASP H . . A . 10 ASP HB2 . . . 10 ASP HN . . . . . 10 ASP QB . . rr_6fce 1
44 2 OR . 1 1 6 6 ASP H H . . . 1 1 6 6 ASP HB3 H . . . . . . . 4.11 . . . . . A . 10 ASP H . . A . 10 ASP HB3 . . . 10 ASP HN . . . . . 10 ASP QB . . rr_6fce 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 "Restraints file 1: Peptide8.upl" 1 1 1 33 rr_6fce 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) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
2 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
3 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
4 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
5 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
6 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
7 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
8 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
9 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
10 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
11 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
12 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
13 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
14 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
15 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
16 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_6fce 1
17 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_6fce 1
18 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_6fce 1
19 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_6fce 1
20 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HB2' (nmrStar names) not linked" rr_6fce 1
21 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HB3' (nmrStar names) not linked" rr_6fce 1
22 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.QD' (nmrStar names) not linked" rr_6fce 1
23 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_6fce 1
24 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .7.QD' (nmrStar names),' .7.HA' (nmrStar names) not linked" rr_6fce 1
25 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .7.HA' (nmrStar names) not linked" rr_6fce 1
26 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .7.HA' (nmrStar names) not linked" rr_6fce 1
27 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .7.HA' (nmrStar names) not linked" rr_6fce 1
28 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_6fce 1
29 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_6fce 1
30 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_6fce 1
31 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_6fce 1
32 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_6fce 1
33 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_6fce 1
34 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .11.HN1' (nmrStar names) not linked" rr_6fce 1
35 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .11.HN2' (nmrStar names) not linked" rr_6fce 1
36 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .11.HN1' (nmrStar names) not linked" rr_6fce 1
37 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .11.HN1' (nmrStar names) not linked" rr_6fce 1
38 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .11.HN2' (nmrStar names) not linked" rr_6fce 1
39 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .11.HN2' (nmrStar names) not linked" rr_6fce 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_6fce
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_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_6fce 1
stop_
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 2 . OR rr_6fce 1
1 2 . 3 . rr_6fce 1
1 3 . . . rr_6fce 1
2 1 . . . rr_6fce 1
3 1 . . . rr_6fce 1
4 1 2 . OR rr_6fce 1
4 2 . 3 . rr_6fce 1
4 3 . . . rr_6fce 1
5 1 2 . OR rr_6fce 1
5 2 . 3 . rr_6fce 1
5 3 . . . rr_6fce 1
6 1 2 . OR rr_6fce 1
6 2 . 3 . rr_6fce 1
6 3 . . . rr_6fce 1
7 1 . . . rr_6fce 1
8 1 . . . rr_6fce 1
9 1 2 . OR rr_6fce 1
9 2 . 3 . rr_6fce 1
9 3 . . . rr_6fce 1
10 1 . . . rr_6fce 1
11 1 . . . rr_6fce 1
12 1 . . . rr_6fce 1
13 1 2 . OR rr_6fce 1
13 2 . 3 . rr_6fce 1
13 3 . . . rr_6fce 1
14 1 . . . rr_6fce 1
15 1 . . . rr_6fce 1
16 1 2 . OR rr_6fce 1
16 2 . 3 . rr_6fce 1
16 3 . . . rr_6fce 1
17 1 . . . rr_6fce 1
18 1 . . . rr_6fce 1
19 1 . . . rr_6fce 1
20 1 . . . rr_6fce 1
21 1 . . . rr_6fce 1
22 1 . . . rr_6fce 1
23 1 2 . OR rr_6fce 1
23 2 . 3 . rr_6fce 1
23 3 . . . rr_6fce 1
24 1 2 . OR rr_6fce 1
24 2 . 3 . rr_6fce 1
24 3 . . . rr_6fce 1
25 1 2 . OR rr_6fce 1
25 2 . 3 . rr_6fce 1
25 3 . . . rr_6fce 1
26 1 2 . OR rr_6fce 1
26 2 . 3 . rr_6fce 1
26 3 . . . rr_6fce 1
27 1 2 . OR rr_6fce 1
27 2 . 3 . rr_6fce 1
27 3 . . . rr_6fce 1
28 1 2 . OR rr_6fce 1
28 2 . 3 . rr_6fce 1
28 3 . . . rr_6fce 1
29 1 2 . OR rr_6fce 1
29 2 . 3 . rr_6fce 1
29 3 . . . rr_6fce 1
30 1 2 . OR rr_6fce 1
30 2 . 3 . rr_6fce 1
30 3 . . . rr_6fce 1
31 1 2 . OR rr_6fce 1
31 2 . 3 . rr_6fce 1
31 3 . . . rr_6fce 1
32 1 . . . rr_6fce 1
33 1 . . . rr_6fce 1
34 1 . . . rr_6fce 1
35 1 . . . rr_6fce 1
36 1 . . . rr_6fce 1
37 1 . . . rr_6fce 1
38 1 . . . rr_6fce 1
39 1 . . . rr_6fce 1
40 1 . . . rr_6fce 1
41 1 . . . rr_6fce 1
42 1 . . . rr_6fce 1
43 1 . . . rr_6fce 1
44 1 2 . OR rr_6fce 1
44 2 . 3 . rr_6fce 1
44 3 . . . rr_6fce 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_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 2 . 1 . 1 1 1 1 AC5 HB12 H . . . . 5 ACP QB1 rr_6fce 1
1 2 . 2 . 1 1 2 2 HIS H H . . . . 6 HIS HN rr_6fce 1
1 3 . 1 . 1 1 1 1 AC5 HB11 H . . . . 5 ACP QB1 rr_6fce 1
1 3 . 2 . 1 1 2 2 HIS H H . . . . 6 HIS HN rr_6fce 1
2 1 . 1 . 1 1 1 1 AC5 HB21 H . . . . 5 ACP HB21 rr_6fce 1
2 1 . 2 . 1 1 2 2 HIS H H . . . . 6 HIS HN rr_6fce 1
3 1 . 1 . 1 1 1 1 AC5 HB22 H . . . . 5 ACP HB22 rr_6fce 1
3 1 . 2 . 1 1 2 2 HIS H H . . . . 6 HIS HN rr_6fce 1
4 2 . 1 . 1 1 1 1 AC5 HB21 H . . . . 5 ACP QB2 rr_6fce 1
4 2 . 2 . 1 1 2 2 HIS H H . . . . 6 HIS HN rr_6fce 1
4 3 . 1 . 1 1 1 1 AC5 HB22 H . . . . 5 ACP QB2 rr_6fce 1
4 3 . 2 . 1 1 2 2 HIS H H . . . . 6 HIS HN rr_6fce 1
5 2 . 1 . 1 1 1 1 AC5 HB21 H . . . . 5 ACP QB2 rr_6fce 1
5 2 . 2 . 1 1 2 2 HIS HD2 H . . . . 6 HIS HD2 rr_6fce 1
5 3 . 1 . 1 1 1 1 AC5 HB22 H . . . . 5 ACP QB2 rr_6fce 1
5 3 . 2 . 1 1 2 2 HIS HD2 H . . . . 6 HIS HD2 rr_6fce 1
6 2 . 1 . 1 1 1 1 AC5 HG12 H . . . . 5 ACP QG1 rr_6fce 1
6 2 . 2 . 1 1 2 2 HIS H H . . . . 6 HIS HN rr_6fce 1
6 3 . 1 . 1 1 1 1 AC5 HG11 H . . . . 5 ACP QG1 rr_6fce 1
6 3 . 2 . 1 1 2 2 HIS H H . . . . 6 HIS HN rr_6fce 1
7 1 . 1 . 1 1 2 2 HIS H H . . . . 6 HIS HN rr_6fce 1
7 1 . 2 . 1 1 2 2 HIS HB2 H . . . . 6 HIS HB2 rr_6fce 1
8 1 . 1 . 1 1 2 2 HIS H H . . . . 6 HIS HN rr_6fce 1
8 1 . 2 . 1 1 2 2 HIS HB3 H . . . . 6 HIS HB3 rr_6fce 1
9 2 . 1 . 1 1 2 2 HIS H H . . . . 6 HIS HN rr_6fce 1
9 2 . 2 . 1 1 6 6 ASP HB2 H . . . . 10 ASP QB rr_6fce 1
9 3 . 1 . 1 1 2 2 HIS H H . . . . 6 HIS HN rr_6fce 1
9 3 . 2 . 1 1 6 6 ASP HB3 H . . . . 10 ASP QB rr_6fce 1
10 1 . 1 . 1 1 2 2 HIS HA H . . . . 6 HIS HA rr_6fce 1
10 1 . 2 . 1 1 2 2 HIS HD2 H . . . . 6 HIS HD2 rr_6fce 1
11 1 . 1 . 1 1 2 2 HIS HB2 H . . . . 6 HIS HB2 rr_6fce 1
11 1 . 2 . 1 1 2 2 HIS HD2 H . . . . 6 HIS HD2 rr_6fce 1
12 1 . 1 . 1 1 2 2 HIS HB3 H . . . . 6 HIS HB3 rr_6fce 1
12 1 . 2 . 1 1 2 2 HIS HD2 H . . . . 6 HIS HD2 rr_6fce 1
13 2 . 1 . 1 1 2 2 HIS HB3 H . . . . 6 HIS QB rr_6fce 1
13 2 . 2 . 1 1 5 5 TRP HE3 H . . . . 9 TRP HE3 rr_6fce 1
13 3 . 1 . 1 1 2 2 HIS HB2 H . . . . 6 HIS QB rr_6fce 1
13 3 . 2 . 1 1 5 5 TRP HE3 H . . . . 9 TRP HE3 rr_6fce 1
14 1 . 1 . 1 1 4 4 ARG H H . . . . 8 ARG HN rr_6fce 1
14 1 . 2 . 1 1 5 5 TRP H H . . . . 9 TRP HN rr_6fce 1
15 1 . 1 . 1 1 4 4 ARG H H . . . . 8 ARG HN rr_6fce 1
15 1 . 2 . 1 1 6 6 ASP H H . . . . 10 ASP HN rr_6fce 1
16 2 . 1 . 1 1 4 4 ARG HA H . . . . 8 ARG HA rr_6fce 1
16 2 . 2 . 1 1 4 4 ARG HB3 H . . . . 8 ARG QB rr_6fce 1
16 3 . 1 . 1 1 4 4 ARG HA H . . . . 8 ARG HA rr_6fce 1
16 3 . 2 . 1 1 4 4 ARG HB2 H . . . . 8 ARG QB rr_6fce 1
17 1 . 1 . 1 1 4 4 ARG HA H . . . . 8 ARG HA rr_6fce 1
17 1 . 2 . 1 1 5 5 TRP H H . . . . 9 TRP HN rr_6fce 1
18 1 . 1 . 1 1 4 4 ARG HA H . . . . 8 ARG HA rr_6fce 1
18 1 . 2 . 1 1 6 6 ASP H H . . . . 10 ASP HN rr_6fce 1
19 1 . 1 . 1 1 4 4 ARG HB2 H . . . . 8 ARG HB2 rr_6fce 1
19 1 . 2 . 1 1 5 5 TRP H H . . . . 9 TRP HN rr_6fce 1
20 1 . 1 . 1 1 4 4 ARG HB2 H . . . . 8 ARG HB2 rr_6fce 1
20 1 . 2 . 1 1 5 5 TRP HE3 H . . . . 9 TRP HE3 rr_6fce 1
21 1 . 1 . 1 1 4 4 ARG HB3 H . . . . 8 ARG HB3 rr_6fce 1
21 1 . 2 . 1 1 5 5 TRP H H . . . . 9 TRP HN rr_6fce 1
22 1 . 1 . 1 1 4 4 ARG HB3 H . . . . 8 ARG HB3 rr_6fce 1
22 1 . 2 . 1 1 5 5 TRP HE3 H . . . . 9 TRP HE3 rr_6fce 1
23 2 . 1 . 1 1 4 4 ARG HB3 H . . . . 8 ARG QB rr_6fce 1
23 2 . 2 . 1 1 5 5 TRP HZ3 H . . . . 9 TRP HZ3 rr_6fce 1
23 3 . 1 . 1 1 4 4 ARG HB2 H . . . . 8 ARG QB rr_6fce 1
23 3 . 2 . 1 1 5 5 TRP HZ3 H . . . . 9 TRP HZ3 rr_6fce 1
24 2 . 1 . 1 1 4 4 ARG HG2 H . . . . 8 ARG QG rr_6fce 1
24 2 . 2 . 1 1 5 5 TRP H H . . . . 9 TRP HN rr_6fce 1
24 3 . 1 . 1 1 4 4 ARG HG3 H . . . . 8 ARG QG rr_6fce 1
24 3 . 2 . 1 1 5 5 TRP H H . . . . 9 TRP HN rr_6fce 1
25 2 . 1 . 1 1 4 4 ARG HG2 H . . . . 8 ARG QG rr_6fce 1
25 2 . 2 . 1 1 5 5 TRP HE3 H . . . . 9 TRP HE3 rr_6fce 1
25 3 . 1 . 1 1 4 4 ARG HG3 H . . . . 8 ARG QG rr_6fce 1
25 3 . 2 . 1 1 5 5 TRP HE3 H . . . . 9 TRP HE3 rr_6fce 1
26 2 . 1 . 1 1 4 4 ARG HG2 H . . . . 8 ARG QG rr_6fce 1
26 2 . 2 . 1 1 5 5 TRP HZ3 H . . . . 9 TRP HZ3 rr_6fce 1
26 3 . 1 . 1 1 4 4 ARG HG3 H . . . . 8 ARG QG rr_6fce 1
26 3 . 2 . 1 1 5 5 TRP HZ3 H . . . . 9 TRP HZ3 rr_6fce 1
27 2 . 1 . 1 1 4 4 ARG HG2 H . . . . 8 ARG QG rr_6fce 1
27 2 . 2 . 1 1 5 5 TRP HZ2 H . . . . 9 TRP HZ2 rr_6fce 1
27 3 . 1 . 1 1 4 4 ARG HG3 H . . . . 8 ARG QG rr_6fce 1
27 3 . 2 . 1 1 5 5 TRP HZ2 H . . . . 9 TRP HZ2 rr_6fce 1
28 2 . 1 . 1 1 4 4 ARG HD2 H . . . . 8 ARG QD rr_6fce 1
28 2 . 2 . 1 1 5 5 TRP HE3 H . . . . 9 TRP HE3 rr_6fce 1
28 3 . 1 . 1 1 4 4 ARG HD3 H . . . . 8 ARG QD rr_6fce 1
28 3 . 2 . 1 1 5 5 TRP HE3 H . . . . 9 TRP HE3 rr_6fce 1
29 2 . 1 . 1 1 4 4 ARG HD2 H . . . . 8 ARG QD rr_6fce 1
29 2 . 2 . 1 1 5 5 TRP HZ3 H . . . . 9 TRP HZ3 rr_6fce 1
29 3 . 1 . 1 1 4 4 ARG HD3 H . . . . 8 ARG QD rr_6fce 1
29 3 . 2 . 1 1 5 5 TRP HZ3 H . . . . 9 TRP HZ3 rr_6fce 1
30 2 . 1 . 1 1 4 4 ARG HD2 H . . . . 8 ARG QD rr_6fce 1
30 2 . 2 . 1 1 5 5 TRP HZ2 H . . . . 9 TRP HZ2 rr_6fce 1
30 3 . 1 . 1 1 4 4 ARG HD3 H . . . . 8 ARG QD rr_6fce 1
30 3 . 2 . 1 1 5 5 TRP HZ2 H . . . . 9 TRP HZ2 rr_6fce 1
31 2 . 1 . 1 1 4 4 ARG HD2 H . . . . 8 ARG QD rr_6fce 1
31 2 . 2 . 1 1 5 5 TRP HH2 H . . . . 9 TRP HH2 rr_6fce 1
31 3 . 1 . 1 1 4 4 ARG HD3 H . . . . 8 ARG QD rr_6fce 1
31 3 . 2 . 1 1 5 5 TRP HH2 H . . . . 9 TRP HH2 rr_6fce 1
32 1 . 1 . 1 1 5 5 TRP H H . . . . 9 TRP HN rr_6fce 1
32 1 . 2 . 1 1 5 5 TRP HB2 H . . . . 9 TRP HB2 rr_6fce 1
33 1 . 1 . 1 1 5 5 TRP H H . . . . 9 TRP HN rr_6fce 1
33 1 . 2 . 1 1 5 5 TRP HB3 H . . . . 9 TRP HB3 rr_6fce 1
34 1 . 1 . 1 1 5 5 TRP H H . . . . 9 TRP HN rr_6fce 1
34 1 . 2 . 1 1 5 5 TRP HE3 H . . . . 9 TRP HE3 rr_6fce 1
35 1 . 1 . 1 1 5 5 TRP HA H . . . . 9 TRP HA rr_6fce 1
35 1 . 2 . 1 1 5 5 TRP HD1 H . . . . 9 TRP HD1 rr_6fce 1
36 1 . 1 . 1 1 5 5 TRP HA H . . . . 9 TRP HA rr_6fce 1
36 1 . 2 . 1 1 5 5 TRP HE3 H . . . . 9 TRP HE3 rr_6fce 1
37 1 . 1 . 1 1 5 5 TRP HB2 H . . . . 9 TRP HB2 rr_6fce 1
37 1 . 2 . 1 1 5 5 TRP HE3 H . . . . 9 TRP HE3 rr_6fce 1
38 1 . 1 . 1 1 5 5 TRP HB2 H . . . . 9 TRP HB2 rr_6fce 1
38 1 . 2 . 1 1 5 5 TRP HZ3 H . . . . 9 TRP HZ3 rr_6fce 1
39 1 . 1 . 1 1 5 5 TRP HB2 H . . . . 9 TRP HB2 rr_6fce 1
39 1 . 2 . 1 1 6 6 ASP H H . . . . 10 ASP HN rr_6fce 1
40 1 . 1 . 1 1 5 5 TRP HB3 H . . . . 9 TRP HB3 rr_6fce 1
40 1 . 2 . 1 1 5 5 TRP HD1 H . . . . 9 TRP HD1 rr_6fce 1
41 1 . 1 . 1 1 5 5 TRP HB3 H . . . . 9 TRP HB3 rr_6fce 1
41 1 . 2 . 1 1 5 5 TRP HE3 H . . . . 9 TRP HE3 rr_6fce 1
42 1 . 1 . 1 1 5 5 TRP HB3 H . . . . 9 TRP HB3 rr_6fce 1
42 1 . 2 . 1 1 5 5 TRP HZ3 H . . . . 9 TRP HZ3 rr_6fce 1
43 1 . 1 . 1 1 5 5 TRP HB3 H . . . . 9 TRP HB3 rr_6fce 1
43 1 . 2 . 1 1 6 6 ASP H H . . . . 10 ASP HN rr_6fce 1
44 2 . 1 . 1 1 6 6 ASP H H . . . . 10 ASP HN rr_6fce 1
44 2 . 2 . 1 1 6 6 ASP HB2 H . . . . 10 ASP QB rr_6fce 1
44 3 . 1 . 1 1 6 6 ASP H H . . . . 10 ASP HN rr_6fce 1
44 3 . 2 . 1 1 6 6 ASP HB3 H . . . . 10 ASP QB rr_6fce 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.Spectral_peak_list_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 2 . . . . . . . . 3.53 rr_6fce 1
1 3 . . . . . . . . 3.53 rr_6fce 1
2 1 . . . . . . . . 3.70 rr_6fce 1
3 1 . . . . . . . . 3.70 rr_6fce 1
4 2 . . . . . . . . 3.12 rr_6fce 1
4 3 . . . . . . . . 3.12 rr_6fce 1
5 2 . . . . . . . . 5.34 rr_6fce 1
5 3 . . . . . . . . 5.34 rr_6fce 1
6 2 . . . . . . . . 5.79 rr_6fce 1
6 3 . . . . . . . . 5.79 rr_6fce 1
7 1 . . . . . . . . 3.05 rr_6fce 1
8 1 . . . . . . . . 3.05 rr_6fce 1
9 2 . . . . . . . . 4.64 rr_6fce 1
9 3 . . . . . . . . 4.64 rr_6fce 1
10 1 . . . . . . . . 4.38 rr_6fce 1
11 1 . . . . . . . . 3.36 rr_6fce 1
12 1 . . . . . . . . 3.36 rr_6fce 1
13 2 . . . . . . . . 4.68 rr_6fce 1
13 3 . . . . . . . . 4.68 rr_6fce 1
14 1 . . . . . . . . 3.27 rr_6fce 1
15 1 . . . . . . . . 4.33 rr_6fce 1
16 2 . . . . . . . . 2.66 rr_6fce 1
16 3 . . . . . . . . 2.66 rr_6fce 1
17 1 . . . . . . . . 2.99 rr_6fce 1
18 1 . . . . . . . . 3.73 rr_6fce 1
19 1 . . . . . . . . 3.89 rr_6fce 1
20 1 . . . . . . . . 5.50 rr_6fce 1
21 1 . . . . . . . . 3.89 rr_6fce 1
22 1 . . . . . . . . 5.50 rr_6fce 1
23 2 . . . . . . . . 5.34 rr_6fce 1
23 3 . . . . . . . . 5.34 rr_6fce 1
24 2 . . . . . . . . 5.02 rr_6fce 1
24 3 . . . . . . . . 5.02 rr_6fce 1
25 2 . . . . . . . . 5.34 rr_6fce 1
25 3 . . . . . . . . 5.34 rr_6fce 1
26 2 . . . . . . . . 5.34 rr_6fce 1
26 3 . . . . . . . . 5.34 rr_6fce 1
27 2 . . . . . . . . 5.34 rr_6fce 1
27 3 . . . . . . . . 5.34 rr_6fce 1
28 2 . . . . . . . . 6.38 rr_6fce 1
28 3 . . . . . . . . 6.38 rr_6fce 1
29 2 . . . . . . . . 5.73 rr_6fce 1
29 3 . . . . . . . . 5.73 rr_6fce 1
30 2 . . . . . . . . 6.38 rr_6fce 1
30 3 . . . . . . . . 6.38 rr_6fce 1
31 2 . . . . . . . . 6.38 rr_6fce 1
31 3 . . . . . . . . 6.38 rr_6fce 1
32 1 . . . . . . . . 3.11 rr_6fce 1
33 1 . . . . . . . . 3.24 rr_6fce 1
34 1 . . . . . . . . 3.67 rr_6fce 1
35 1 . . . . . . . . 3.02 rr_6fce 1
36 1 . . . . . . . . 3.79 rr_6fce 1
37 1 . . . . . . . . 3.27 rr_6fce 1
38 1 . . . . . . . . 5.07 rr_6fce 1
39 1 . . . . . . . . 3.55 rr_6fce 1
40 1 . . . . . . . . 3.48 rr_6fce 1
41 1 . . . . . . . . 3.45 rr_6fce 1
42 1 . . . . . . . . 5.50 rr_6fce 1
43 1 . . . . . . . . 3.61 rr_6fce 1
44 2 . . . . . . . . 4.11 rr_6fce 1
44 3 . . . . . . . . 4.11 rr_6fce 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 "Restraints file 1: Peptide8.upl" 1 1 1 33 rr_6fce 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) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
2 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
3 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
4 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
5 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
6 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
7 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
8 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
9 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
10 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
11 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
12 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
13 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
14 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
15 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_6fce 1
16 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_6fce 1
17 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_6fce 1
18 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_6fce 1
19 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_6fce 1
20 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HB2' (nmrStar names) not linked" rr_6fce 1
21 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HB3' (nmrStar names) not linked" rr_6fce 1
22 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.QD' (nmrStar names) not linked" rr_6fce 1
23 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .7.HN' (nmrStar names) not linked" rr_6fce 1
24 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .7.QD' (nmrStar names),' .7.HA' (nmrStar names) not linked" rr_6fce 1
25 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .7.HA' (nmrStar names) not linked" rr_6fce 1
26 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .7.HA' (nmrStar names) not linked" rr_6fce 1
27 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .7.HA' (nmrStar names) not linked" rr_6fce 1
28 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_6fce 1
29 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" rr_6fce 1
30 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_6fce 1
31 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_6fce 1
32 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_6fce 1
33 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" rr_6fce 1
34 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .11.HN1' (nmrStar names) not linked" rr_6fce 1
35 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .11.HN2' (nmrStar names) not linked" rr_6fce 1
36 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .11.HN1' (nmrStar names) not linked" rr_6fce 1
37 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .11.HN1' (nmrStar names) not linked" rr_6fce 1
38 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .11.HN2' (nmrStar names) not linked" rr_6fce 1
39 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .11.HN2' (nmrStar names) not linked" rr_6fce 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_6fce
_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 20-DEC-17 6FCE *TITLE NMR ENSEMBLE OF MACROCYCLIC PEPTIDOMIMETIC CONTAINING CONSTRAINED A,A-
*TITLE 2 DIALKYLATED AMINO ACIDS WITH POTENT AND SELECTIVE ACTIVITY AT HUMAN *TITLE 3 MELANOCORTIN RECEPTORS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ACP-HIS-DPHE-ARG-TRP-ASP-NH2; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 469008 *KEYWDS MELANOCORTIN, PEPTIDOMIMETICS, AMINO ACID, DIALKYLATED, DE NOVO *KEYWDS 2 PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR D.BRANCACCIO,A.CAROTENUTO,P.GRIECO,F.MERLINO,Y.ZHOU,M.CAI,A.M.YOUSIF, *AUTHOR 2 S.DI MARO,E.NOVELLINO,V.J.HRUBY *REVDAT 1 25-APR-18 6FCE 0
;
save_
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