NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
321234 |
1xy9   |
6426 | cing | 4-filtered-FRED | STAR | entry | full |
data_FRED_restraints_with_modified_coordinates_PDB_code_1xy9
# This FRED archive file contains, for PDB entry <1xy9>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_1xy9
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1xy9"
_Entry.NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 1xy9"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1xy9
_Assembly.ID 1
_Assembly.Name 1xy9
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 1279.5107
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 "SST1 selective somatosatin analog" 1 $SST1_selective_somatosatin_analog A . no . . . . . . rr_1xy9 1
stop_
save_
save_SST1_selective_somatosatin_analog
_Entity.Sf_category entity
_Entity.Sf_framecode SST1_selective_somatosatin_analog
_Entity.Entry_ID rr_1xy9
_Entity.ID 1
_Entity.Name SST1_selective_somatosatin_analog
_Entity.Type non-polymer
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Nonpolymer_comp_ID CYS
_Entity.Nonpolymer_comp_label $chem_comp_CYS
_Entity.Number_of_monomers 10
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
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 . CYS . rr_1xy9 1
2 . LYS . rr_1xy9 1
3 . PHE . rr_1xy9 1
4 . ALA . rr_1xy9 1
5 . DTR . rr_1xy9 1
6 . IAM . rr_1xy9 1
7 . THR . rr_1xy9 1
8 . THR . rr_1xy9 1
9 . SER . rr_1xy9 1
10 . CYS . rr_1xy9 1
stop_
save_
save_chem_comp_DTR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DTR
_Chem_comp.Entry_ID rr_1xy9
_Chem_comp.ID DTR
_Chem_comp.Name D-tryptophan
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code DTR
_Chem_comp.Std_deriv_one_letter_code W
_Chem_comp.Std_deriv_three_letter_code Trp
_Chem_comp.Std_deriv_PDB_code TRP
_Chem_comp.Std_deriv_chem_comp_name TRYPTOPHAN
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C11 H10 N2 O"
_Chem_comp.Formula_weight 186.2128
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
D-tryptophan name rr_1xy9 DTR
stop_
save_
save_chem_comp_IAM
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_IAM
_Chem_comp.Entry_ID rr_1xy9
_Chem_comp.ID IAM
_Chem_comp.Name 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code IAM
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C13 H20 N2 O2"
_Chem_comp.Formula_weight 236.3132
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1xy9
_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
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_1xy9
_Conformer_family_coord_set.ID 1
loop_
_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_atom_name
_Atom_site.PDB_ins_code
_Atom_site.PDB_model_num
_Atom_site.PDB_residue_name
_Atom_site.PDB_residue_no
_Atom_site.PDB_strand_id
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_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 CYS C C 3.786 -4.880 2.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xy9 1
1 . 2 . 1 1 1 CYS CA C 4.437 -5.541 3.815 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xy9 1
1 . 3 . 1 1 1 CYS CB C 4.041 -4.853 5.121 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xy9 1
1 . 4 . 1 1 1 CYS H1 H 6.145 -4.715 3.057 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xy9 1
1 . 5 . 1 1 1 CYS H2 H 6.348 -5.490 4.536 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xy9 1
1 . 6 . 1 1 1 CYS HA H 4.138 -6.585 3.893 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xy9 1
1 . 7 . 1 1 1 CYS HB2 H 4.858 -4.959 5.835 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xy9 1
1 . 8 . 1 1 1 CYS HB3 H 3.921 -3.785 4.933 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xy9 1
1 . 9 . 1 1 1 CYS N N 5.879 -5.535 3.620 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xy9 1
1 . 10 . 1 1 1 CYS O O 3.177 -3.818 2.717 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xy9 1
1 . 11 . 1 1 1 CYS SG S 2.503 -5.487 5.888 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xy9 1
1 . 12 . 1 1 2 LYS C C 4.225 -3.857 -0.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xy9 1
1 . 13 . 1 1 2 LYS CA C 3.372 -5.023 0.221 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xy9 1
1 . 14 . 1 1 2 LYS CB C 1.895 -4.669 0.412 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xy9 1
1 . 15 . 1 1 2 LYS CD C 1.225 -5.414 -1.902 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xy9 1
1 . 16 . 1 1 2 LYS CE C 0.775 -4.023 -2.354 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xy9 1
1 . 17 . 1 1 2 LYS CG C 0.998 -5.603 -0.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xy9 1
1 . 18 . 1 1 2 LYS H H 4.436 -6.398 1.369 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xy9 1
1 . 19 . 1 1 2 LYS HA H 3.418 -5.826 -0.515 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xy9 1
1 . 20 . 1 1 2 LYS HB2 H 1.636 -4.737 1.469 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xy9 1
1 . 21 . 1 1 2 LYS HB3 H 1.723 -3.638 0.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xy9 1
1 . 22 . 1 1 2 LYS HD2 H 2.282 -5.551 -2.133 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xy9 1
1 . 23 . 1 1 2 LYS HD3 H 0.678 -6.176 -2.457 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xy9 1
1 . 24 . 1 1 2 LYS HE2 H -0.245 -3.838 -2.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xy9 1
1 . 25 . 1 1 2 LYS HE3 H 1.406 -3.263 -1.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xy9 1
1 . 26 . 1 1 2 LYS HG2 H 1.199 -6.638 -0.126 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xy9 1
1 . 27 . 1 1 2 LYS HG3 H -0.048 -5.408 -0.161 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xy9 1
1 . 28 . 1 1 2 LYS HZ1 H 0.908 -2.946 -4.132 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xy9 1
1 . 29 . 1 1 2 LYS HZ2 H 1.653 -4.391 -4.208 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xy9 1
1 . 30 . 1 1 2 LYS N N 3.939 -5.535 1.457 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xy9 1
1 . 31 . 1 1 2 LYS NZ N 0.845 -3.910 -3.827 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xy9 1
1 . 32 . 1 1 2 LYS O O 5.088 -3.358 0.440 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xy9 1
1 . 33 . 1 1 3 PHE C C 4.977 -1.257 -1.092 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xy9 1
1 . 34 . 1 1 3 PHE CA C 4.682 -2.352 -2.119 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xy9 1
1 . 35 . 1 1 3 PHE CB C 3.790 -1.777 -3.220 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xy9 1
1 . 36 . 1 1 3 PHE CD1 C 5.514 -1.135 -4.921 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xy9 1
1 . 37 . 1 1 3 PHE CD2 C 3.828 -2.648 -5.567 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xy9 1
1 . 38 . 1 1 3 PHE CE1 C 6.079 -1.209 -6.221 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xy9 1
1 . 39 . 1 1 3 PHE CE2 C 4.392 -2.723 -6.868 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xy9 1
1 . 40 . 1 1 3 PHE CG C 4.400 -1.857 -4.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xy9 1
1 . 41 . 1 1 3 PHE CZ C 5.506 -2.002 -7.167 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xy9 1
1 . 42 . 1 1 3 PHE H H 3.248 -3.863 -2.093 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xy9 1
1 . 43 . 1 1 3 PHE HA H 5.622 -2.757 -2.496 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xy9 1
1 . 44 . 1 1 3 PHE HB2 H 2.839 -2.308 -3.219 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xy9 1
1 . 45 . 1 1 3 PHE HB3 H 3.573 -0.733 -2.990 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xy9 1
1 . 46 . 1 1 3 PHE HD1 H 5.973 -0.501 -4.163 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xy9 1
1 . 47 . 1 1 3 PHE HD2 H 2.935 -3.225 -5.326 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xy9 1
1 . 48 . 1 1 3 PHE HE1 H 6.971 -0.631 -6.462 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xy9 1
1 . 49 . 1 1 3 PHE HE2 H 3.934 -3.358 -7.626 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xy9 1
1 . 50 . 1 1 3 PHE HZ H 5.940 -2.059 -8.166 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xy9 1
1 . 51 . 1 1 3 PHE N N 3.952 -3.452 -1.513 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xy9 1
1 . 52 . 1 1 3 PHE O O 6.117 -1.098 -0.658 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xy9 1
1 . 53 . 1 1 4 ALA C C 2.820 1.436 0.172 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA C . . rr_1xy9 1
1 . 54 . 1 1 4 ALA CA C 4.060 0.544 0.237 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CA . . rr_1xy9 1
1 . 55 . 1 1 4 ALA CB C 5.352 1.319 -0.035 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CB . . rr_1xy9 1
1 . 56 . 1 1 4 ALA H H 3.005 -0.667 -1.089 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA H . . rr_1xy9 1
1 . 57 . 1 1 4 ALA HA H 4.123 0.095 1.228 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HA . . rr_1xy9 1
1 . 58 . 1 1 4 ALA HB1 H 5.457 2.116 0.699 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB1 . . rr_1xy9 1
1 . 59 . 1 1 4 ALA HB2 H 6.204 0.644 0.037 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB2 . . rr_1xy9 1
1 . 60 . 1 1 4 ALA HB3 H 5.313 1.750 -1.036 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB3 . . rr_1xy9 1
1 . 61 . 1 1 4 ALA N N 3.928 -0.530 -0.732 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA N . . rr_1xy9 1
1 . 62 . 1 1 4 ALA O O 2.505 1.995 -0.878 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA O . . rr_1xy9 1
1 . 63 . 1 1 5 DTR C C -0.105 1.569 2.172 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xy9 1
1 . 64 . 1 1 5 DTR CA C 0.949 2.361 1.396 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xy9 1
1 . 65 . 1 1 5 DTR CB C 1.361 3.659 2.096 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xy9 1
1 . 66 . 1 1 5 DTR CD1 C 2.550 3.246 4.350 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xy9 1
1 . 67 . 1 1 5 DTR CD2 C 3.952 3.618 2.676 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xy9 1
1 . 68 . 1 1 5 DTR CE2 C 4.709 3.415 3.812 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xy9 1
1 . 69 . 1 1 5 DTR CE3 C 4.553 3.881 1.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xy9 1
1 . 70 . 1 1 5 DTR CG C 2.558 3.507 3.036 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xy9 1
1 . 71 . 1 1 5 DTR CH2 C 6.730 3.715 2.589 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xy9 1
1 . 72 . 1 1 5 DTR CZ2 C 6.109 3.456 3.817 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xy9 1
1 . 73 . 1 1 5 DTR CZ3 C 5.952 3.918 1.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xy9 1
1 . 74 . 1 1 5 DTR H H 2.412 1.089 2.160 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xy9 1
1 . 75 . 1 1 5 DTR HA H 0.618 2.529 0.373 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xy9 1
1 . 76 . 1 1 5 DTR HB2 H 1.596 4.409 1.340 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xy9 1
1 . 77 . 1 1 5 DTR HB3 H 0.511 4.037 2.666 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xy9 1
1 . 78 . 1 1 5 DTR HD1 H 1.644 3.104 4.940 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xy9 1
1 . 79 . 1 1 5 DTR HE1 H 4.101 2.985 5.899 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xy9 1
1 . 80 . 1 1 5 DTR HE3 H 3.974 4.044 0.523 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xy9 1
1 . 81 . 1 1 5 DTR HH2 H 7.816 3.760 2.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xy9 1
1 . 82 . 1 1 5 DTR HZ2 H 6.685 3.291 4.728 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xy9 1
1 . 83 . 1 1 5 DTR HZ3 H 6.469 4.118 0.516 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xy9 1
1 . 84 . 1 1 5 DTR N N 2.149 1.545 1.309 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xy9 1
1 . 85 . 1 1 5 DTR NE1 N 3.829 3.182 4.862 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xy9 1
1 . 86 . 1 1 5 DTR O O 0.144 1.133 3.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xy9 1
1 . 87 . 1 1 6 IAM C C -3.541 0.554 1.203 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xy9 1
1 . 88 . 1 1 6 IAM CA C -2.354 0.679 2.161 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xy9 1
1 . 89 . 1 1 6 IAM CB C -2.788 1.478 3.391 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xy9 1
1 . 90 . 1 1 6 IAM CD1 C -4.717 3.072 3.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xy9 1
1 . 91 . 1 1 6 IAM CD2 C -2.609 3.831 2.552 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xy9 1
1 . 92 . 1 1 6 IAM CE1 C -5.280 4.340 2.975 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xy9 1
1 . 93 . 1 1 6 IAM CE2 C -3.171 5.099 2.246 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xy9 1
1 . 94 . 1 1 6 IAM CG C -3.394 2.845 3.062 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xy9 1
1 . 95 . 1 1 6 IAM CI C -4.180 8.621 0.712 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xy9 1
1 . 96 . 1 1 6 IAM CK1 C -2.781 8.862 1.312 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xy9 1
1 . 97 . 1 1 6 IAM CK2 C -5.214 9.490 1.450 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xy9 1
1 . 98 . 1 1 6 IAM CT C -5.104 6.700 2.134 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xy9 1
1 . 99 . 1 1 6 IAM CZ C -4.494 5.326 2.463 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xy9 1
1 . 100 . 1 1 6 IAM H H -1.454 1.769 0.630 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xy9 1
1 . 101 . 1 1 6 IAM HA H -1.980 -0.317 2.404 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xy9 1
1 . 102 . 1 1 6 IAM HB H -1.928 1.622 4.041 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xy9 1
1 . 103 . 1 1 6 IAM HB1 H -3.518 0.896 3.952 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xy9 1
1 . 104 . 1 1 6 IAM HD1 H -5.346 2.281 3.687 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xy9 1
1 . 105 . 1 1 6 IAM HD2 H -1.550 3.648 2.378 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xy9 1
1 . 106 . 1 1 6 IAM HE1 H -6.340 4.523 3.150 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xy9 1
1 . 107 . 1 1 6 IAM HE2 H -2.543 5.891 1.838 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xy9 1
1 . 108 . 1 1 6 IAM HH H -4.398 6.543 0.073 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xy9 1
1 . 109 . 1 1 6 IAM HI H -4.171 8.881 -0.326 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xy9 1
1 . 110 . 1 1 6 IAM HK11 H -2.790 8.603 2.351 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xy9 1
1 . 111 . 1 1 6 IAM HK12 H -2.064 8.257 0.799 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xy9 1
1 . 112 . 1 1 6 IAM HK13 H -2.521 9.895 1.206 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xy9 1
1 . 113 . 1 1 6 IAM HK21 H -6.185 9.322 1.033 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xy9 1
1 . 114 . 1 1 6 IAM HK22 H -5.223 9.231 2.489 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xy9 1
1 . 115 . 1 1 6 IAM HK23 H -4.954 10.523 1.344 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xy9 1
1 . 116 . 1 1 6 IAM HT1 H -4.871 7.390 2.920 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xy9 1
1 . 117 . 1 1 6 IAM HT2 H -6.168 6.608 2.042 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xy9 1
1 . 118 . 1 1 6 IAM N N -1.260 1.410 1.543 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xy9 1
1 . 119 . 1 1 6 IAM NH N -4.540 7.194 0.859 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xy9 1
1 . 120 . 1 1 6 IAM O O -4.088 -0.533 1.025 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xy9 1
1 . 121 . 1 1 7 THR C C -4.784 0.710 -1.458 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xy9 1
1 . 122 . 1 1 7 THR CA C -5.013 1.713 -0.327 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xy9 1
1 . 123 . 1 1 7 THR CB C -5.178 3.153 -0.815 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xy9 1
1 . 124 . 1 1 7 THR CG2 C -6.385 3.323 -1.741 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xy9 1
1 . 125 . 1 1 7 THR H H -3.449 2.562 0.758 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xy9 1
1 . 126 . 1 1 7 THR HA H -5.916 1.402 0.201 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xy9 1
1 . 127 . 1 1 7 THR HB H -4.266 3.509 -1.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xy9 1
1 . 128 . 1 1 7 THR HG1 H -6.350 3.476 0.774 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xy9 1
1 . 129 . 1 1 7 THR HG21 H -6.769 4.339 -1.656 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xy9 1
1 . 130 . 1 1 7 THR HG22 H -6.081 3.134 -2.771 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xy9 1
1 . 131 . 1 1 7 THR HG23 H -7.165 2.616 -1.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xy9 1
1 . 132 . 1 1 7 THR N N -3.902 1.682 0.609 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xy9 1
1 . 133 . 1 1 7 THR O O -4.942 -0.495 -1.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xy9 1
1 . 134 . 1 1 7 THR OG1 O -5.536 3.880 0.357 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xy9 1
1 . 135 . 1 1 8 THR C C -3.496 -0.905 -3.376 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xy9 1
1 . 136 . 1 1 8 THR CA C -4.167 0.410 -3.777 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xy9 1
1 . 137 . 1 1 8 THR CB C -3.176 1.199 -4.682 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xy9 1
1 . 138 . 1 1 8 THR H H -4.292 2.224 -2.763 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xy9 1
1 . 139 . 1 1 8 THR HA H -5.085 0.163 -4.344 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xy9 1
1 . 140 . 1 1 8 THR N N -4.418 1.244 -2.614 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xy9 1
1 . 141 . 1 1 8 THR O O -3.705 -1.934 -4.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xy9 1
1 . 142 . 1 1 9 SER C C -2.965 -2.922 -1.070 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xy9 1
1 . 143 . 1 1 9 SER CA C -2.002 -2.000 -1.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xy9 1
1 . 144 . 1 1 9 SER CB C -0.830 -1.519 -0.962 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xy9 1
1 . 145 . 1 1 9 SER H H -2.541 0.013 -1.799 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xy9 1
1 . 146 . 1 1 9 SER HA H -1.622 -2.560 -2.674 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xy9 1
1 . 147 . 1 1 9 SER N N -2.705 -0.829 -2.316 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xy9 1
1 . 148 . 1 1 9 SER O O -4.181 -2.752 -1.150 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xy9 1
1 . 149 . 1 1 10 CYS C C -2.950 -4.615 1.901 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xy9 1
1 . 150 . 1 1 10 CYS CA C -3.177 -4.828 0.404 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xy9 1
1 . 151 . 1 1 10 CYS CB C -2.840 -6.279 -0.023 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xy9 1
1 . 152 . 1 1 10 CYS H H -1.396 -4.010 -0.301 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xy9 1
1 . 153 . 1 1 10 CYS HA H -4.252 -4.649 0.214 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xy9 1
1 . 154 . 1 1 10 CYS HB2 H -2.662 -6.315 -1.115 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xy9 1
1 . 155 . 1 1 10 CYS HB3 H -1.889 -6.619 0.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xy9 1
1 . 156 . 1 1 10 CYS N N -2.385 -3.878 -0.360 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xy9 1
1 . 157 . 1 1 10 CYS O O -3.867 -4.224 2.622 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xy9 1
2 . 158 . 1 1 1 CYS C C 3.607 -4.981 2.569 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xy9 1
2 . 159 . 1 1 1 CYS CA C 4.141 -5.661 3.830 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xy9 1
2 . 160 . 1 1 1 CYS CB C 3.709 -4.927 5.102 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xy9 1
2 . 161 . 1 1 1 CYS H1 H 5.839 -6.397 2.965 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xy9 1
2 . 162 . 1 1 1 CYS H2 H 5.974 -4.815 3.522 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xy9 1
2 . 163 . 1 1 1 CYS HA H 3.771 -6.683 3.906 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xy9 1
2 . 164 . 1 1 1 CYS HB2 H 4.462 -5.092 5.873 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xy9 1
2 . 165 . 1 1 1 CYS HB3 H 3.692 -3.856 4.898 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xy9 1
2 . 166 . 1 1 1 CYS N N 5.587 -5.748 3.725 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xy9 1
2 . 167 . 1 1 1 CYS O O 3.035 -3.895 2.639 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xy9 1
2 . 168 . 1 1 1 CYS SG S 2.076 -5.425 5.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xy9 1
2 . 169 . 1 1 2 LYS C C 4.266 -3.963 -0.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xy9 1
2 . 170 . 1 1 2 LYS CA C 3.361 -5.122 0.167 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xy9 1
2 . 171 . 1 1 2 LYS CB C 1.879 -4.749 0.237 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xy9 1
2 . 172 . 1 1 2 LYS CD C 1.407 -5.466 -2.135 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xy9 1
2 . 173 . 1 1 2 LYS CE C 1.011 -4.069 -2.618 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xy9 1
2 . 174 . 1 1 2 LYS CG C 1.040 -5.660 -0.662 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xy9 1
2 . 175 . 1 1 2 LYS H H 4.280 -6.532 1.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xy9 1
2 . 176 . 1 1 2 LYS HA H 3.457 -5.921 -0.568 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xy9 1
2 . 177 . 1 1 2 LYS HB2 H 1.528 -4.827 1.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xy9 1
2 . 178 . 1 1 2 LYS HB3 H 1.746 -3.712 -0.066 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xy9 1
2 . 179 . 1 1 2 LYS HD2 H 2.479 -5.609 -2.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xy9 1
2 . 180 . 1 1 2 LYS HD3 H 0.906 -6.220 -2.741 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xy9 1
2 . 181 . 1 1 2 LYS HE2 H -0.064 -3.929 -2.502 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xy9 1
2 . 182 . 1 1 2 LYS HE3 H 1.499 -3.313 -2.004 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xy9 1
2 . 183 . 1 1 2 LYS HG2 H 1.196 -6.700 -0.379 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xy9 1
2 . 184 . 1 1 2 LYS HG3 H -0.018 -5.446 -0.517 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xy9 1
2 . 185 . 1 1 2 LYS HZ1 H 1.481 -2.904 -4.282 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xy9 1
2 . 186 . 1 1 2 LYS HZ2 H 2.279 -4.323 -4.252 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xy9 1
2 . 187 . 1 1 2 LYS N N 3.813 -5.648 1.442 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xy9 1
2 . 188 . 1 1 2 LYS NZ N 1.390 -3.885 -4.036 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xy9 1
2 . 189 . 1 1 2 LYS O O 5.095 -3.503 0.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xy9 1
2 . 190 . 1 1 3 PHE C C 5.077 -1.338 -0.967 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xy9 1
2 . 191 . 1 1 3 PHE CA C 4.869 -2.428 -2.022 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xy9 1
2 . 192 . 1 1 3 PHE CB C 4.083 -1.840 -3.196 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xy9 1
2 . 193 . 1 1 3 PHE CD1 C 5.132 -3.160 -5.048 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xy9 1
2 . 194 . 1 1 3 PHE CD2 C 5.123 -0.810 -5.228 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xy9 1
2 . 195 . 1 1 3 PHE CE1 C 5.803 -3.252 -6.297 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xy9 1
2 . 196 . 1 1 3 PHE CE2 C 5.793 -0.904 -6.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xy9 1
2 . 197 . 1 1 3 PHE CG C 4.807 -1.940 -4.541 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xy9 1
2 . 198 . 1 1 3 PHE CZ C 6.118 -2.123 -6.985 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xy9 1
2 . 199 . 1 1 3 PHE H H 3.400 -3.904 -2.121 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xy9 1
2 . 200 . 1 1 3 PHE HA H 5.836 -2.838 -2.314 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xy9 1
2 . 201 . 1 1 3 PHE HB2 H 3.124 -2.354 -3.272 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xy9 1
2 . 202 . 1 1 3 PHE HB3 H 3.868 -0.792 -2.989 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xy9 1
2 . 203 . 1 1 3 PHE HD1 H 4.878 -4.066 -4.497 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xy9 1
2 . 204 . 1 1 3 PHE HD2 H 4.862 0.166 -4.821 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xy9 1
2 . 205 . 1 1 3 PHE HE1 H 6.065 -4.229 -6.703 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xy9 1
2 . 206 . 1 1 3 PHE HE2 H 6.048 0.002 -7.029 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xy9 1
2 . 207 . 1 1 3 PHE HZ H 6.634 -2.193 -7.943 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xy9 1
2 . 208 . 1 1 3 PHE N N 4.078 -3.524 -1.489 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xy9 1
2 . 209 . 1 1 3 PHE O O 6.171 -1.198 -0.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xy9 1
2 . 210 . 1 1 4 ALA C C 2.880 1.421 0.047 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA C . . rr_1xy9 1
2 . 211 . 1 1 4 ALA CA C 4.062 0.476 0.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CA . . rr_1xy9 1
2 . 212 . 1 1 4 ALA CB C 5.410 1.194 0.168 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CB . . rr_1xy9 1
2 . 213 . 1 1 4 ALA H H 3.124 -0.715 -1.158 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA H . . rr_1xy9 1
2 . 214 . 1 1 4 ALA HA H 3.978 0.027 1.259 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HA . . rr_1xy9 1
2 . 215 . 1 1 4 ALA HB1 H 5.455 1.988 0.913 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB1 . . rr_1xy9 1
2 . 216 . 1 1 4 ALA HB2 H 6.216 0.481 0.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB2 . . rr_1xy9 1
2 . 217 . 1 1 4 ALA HB3 H 5.520 1.623 -0.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB3 . . rr_1xy9 1
2 . 218 . 1 1 4 ALA N N 4.010 -0.596 -0.710 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA N . . rr_1xy9 1
2 . 219 . 1 1 4 ALA O O 2.656 1.890 -1.066 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA O . . rr_1xy9 1
2 . 220 . 1 1 5 DTR C C -0.063 2.007 2.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xy9 1
2 . 221 . 1 1 5 DTR CA C 1.002 2.554 1.067 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xy9 1
2 . 222 . 1 1 5 DTR CB C 1.500 3.947 1.460 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xy9 1
2 . 223 . 1 1 5 DTR CD1 C 3.989 4.316 2.033 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xy9 1
2 . 224 . 1 1 5 DTR CD2 C 3.585 4.314 -0.145 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xy9 1
2 . 225 . 1 1 5 DTR CE2 C 4.938 4.519 0.024 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xy9 1
2 . 226 . 1 1 5 DTR CE3 C 3.004 4.260 -1.425 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xy9 1
2 . 227 . 1 1 5 DTR CG C 2.981 4.184 1.159 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xy9 1
2 . 228 . 1 1 5 DTR CH2 C 5.273 4.637 -2.331 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xy9 1
2 . 229 . 1 1 5 DTR CZ2 C 5.828 4.686 -1.046 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xy9 1
2 . 230 . 1 1 5 DTR CZ3 C 3.906 4.429 -2.482 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xy9 1
2 . 231 . 1 1 5 DTR H H 2.345 1.287 2.031 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xy9 1
2 . 232 . 1 1 5 DTR HA H 0.642 2.518 0.039 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xy9 1
2 . 233 . 1 1 5 DTR HB2 H 0.909 4.696 0.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xy9 1
2 . 234 . 1 1 5 DTR HB3 H 1.328 4.096 2.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xy9 1
2 . 235 . 1 1 5 DTR HD1 H 3.873 4.266 3.116 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xy9 1
2 . 236 . 1 1 5 DTR HE1 H 6.164 4.657 1.865 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xy9 1
2 . 237 . 1 1 5 DTR HE3 H 1.938 4.099 -1.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xy9 1
2 . 238 . 1 1 5 DTR HH2 H 5.909 4.760 -3.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xy9 1
2 . 239 . 1 1 5 DTR HZ2 H 6.893 4.848 -0.887 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xy9 1
2 . 240 . 1 1 5 DTR HZ3 H 3.509 4.396 -3.495 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xy9 1
2 . 241 . 1 1 5 DTR N N 2.155 1.673 1.128 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xy9 1
2 . 242 . 1 1 5 DTR NE1 N 5.193 4.520 1.390 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xy9 1
2 . 243 . 1 1 5 DTR O O 0.234 1.688 3.169 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xy9 1
2 . 244 . 1 1 6 IAM C C -3.569 1.019 1.406 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xy9 1
2 . 245 . 1 1 6 IAM CA C -2.391 1.415 2.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xy9 1
2 . 246 . 1 1 6 IAM CB C -2.828 2.550 3.227 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xy9 1
2 . 247 . 1 1 6 IAM CD1 C -3.376 4.684 2.034 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xy9 1
2 . 248 . 1 1 6 IAM CD2 C -1.219 4.448 2.950 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xy9 1
2 . 249 . 1 1 6 IAM CE1 C -3.035 5.980 1.563 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xy9 1
2 . 250 . 1 1 6 IAM CE2 C -0.877 5.745 2.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xy9 1
2 . 251 . 1 1 6 IAM CG C -2.461 3.946 2.719 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xy9 1
2 . 252 . 1 1 6 IAM CI C -2.336 10.237 1.737 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xy9 1
2 . 253 . 1 1 6 IAM CK1 C -2.583 10.548 3.225 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xy9 1
2 . 254 . 1 1 6 IAM CK2 C -3.295 11.071 0.871 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xy9 1
2 . 255 . 1 1 6 IAM CT C -1.424 7.886 1.283 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xy9 1
2 . 256 . 1 1 6 IAM CZ C -1.793 6.482 1.793 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xy9 1
2 . 257 . 1 1 6 IAM H H -1.515 2.180 0.572 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xy9 1
2 . 258 . 1 1 6 IAM HA H -2.033 0.536 2.834 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xy9 1
2 . 259 . 1 1 6 IAM HB H -2.375 2.402 4.206 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xy9 1
2 . 260 . 1 1 6 IAM HB1 H -3.907 2.498 3.364 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xy9 1
2 . 261 . 1 1 6 IAM HD1 H -4.372 4.280 1.848 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xy9 1
2 . 262 . 1 1 6 IAM HD2 H -0.485 3.858 3.496 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xy9 1
2 . 263 . 1 1 6 IAM HE1 H -3.770 6.572 1.015 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xy9 1
2 . 264 . 1 1 6 IAM HE2 H 0.118 6.148 2.664 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xy9 1
2 . 265 . 1 1 6 IAM HH H -3.533 8.432 1.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xy9 1
2 . 266 . 1 1 6 IAM HI H -1.325 10.482 1.486 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xy9 1
2 . 267 . 1 1 6 IAM HK11 H -3.595 10.304 3.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xy9 1
2 . 268 . 1 1 6 IAM HK12 H -1.916 9.968 3.827 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xy9 1
2 . 269 . 1 1 6 IAM HK13 H -2.413 11.589 3.406 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xy9 1
2 . 270 . 1 1 6 IAM HK21 H -3.123 10.855 -0.162 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xy9 1
2 . 271 . 1 1 6 IAM HK22 H -4.307 10.828 1.121 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xy9 1
2 . 272 . 1 1 6 IAM HK23 H -3.127 12.113 1.049 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xy9 1
2 . 273 . 1 1 6 IAM HT1 H -1.186 7.836 0.241 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xy9 1
2 . 274 . 1 1 6 IAM HT2 H -0.577 8.253 1.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xy9 1
2 . 275 . 1 1 6 IAM N N -1.281 1.917 1.508 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xy9 1
2 . 276 . 1 1 6 IAM NH N -2.570 8.798 1.488 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xy9 1
2 . 277 . 1 1 6 IAM O O -4.003 -0.130 1.417 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xy9 1
2 . 278 . 1 1 7 THR C C -4.842 0.636 -1.225 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xy9 1
2 . 279 . 1 1 7 THR CA C -5.168 1.765 -0.247 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xy9 1
2 . 280 . 1 1 7 THR CB C -5.502 3.089 -0.938 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xy9 1
2 . 281 . 1 1 7 THR CG2 C -6.737 2.987 -1.836 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xy9 1
2 . 282 . 1 1 7 THR H H -3.692 2.929 0.647 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xy9 1
2 . 283 . 1 1 7 THR HA H -6.024 1.439 0.346 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xy9 1
2 . 284 . 1 1 7 THR HB H -4.644 3.462 -1.498 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xy9 1
2 . 285 . 1 1 7 THR HG1 H -6.672 3.521 0.626 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xy9 1
2 . 286 . 1 1 7 THR HG21 H -7.228 3.958 -1.890 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xy9 1
2 . 287 . 1 1 7 THR HG22 H -6.434 2.677 -2.836 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xy9 1
2 . 288 . 1 1 7 THR HG23 H -7.427 2.251 -1.422 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xy9 1
2 . 289 . 1 1 7 THR N N -4.051 1.996 0.651 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xy9 1
2 . 290 . 1 1 7 THR O O -4.847 -0.536 -0.850 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xy9 1
2 . 291 . 1 1 7 THR OG1 O -5.916 3.942 0.126 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xy9 1
2 . 292 . 1 1 8 THR C C -3.479 -1.133 -2.913 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xy9 1
2 . 293 . 1 1 8 THR CA C -4.237 0.060 -3.496 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xy9 1
2 . 294 . 1 1 8 THR CB C -3.291 0.788 -4.496 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xy9 1
2 . 295 . 1 1 8 THR H H -4.565 1.980 -2.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xy9 1
2 . 296 . 1 1 8 THR HA H -5.125 -0.329 -4.028 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xy9 1
2 . 297 . 1 1 8 THR N N -4.566 1.026 -2.461 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xy9 1
2 . 298 . 1 1 8 THR O O -3.686 -2.270 -3.331 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xy9 1
2 . 299 . 1 1 9 SER C C -2.735 -2.851 -0.569 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xy9 1
2 . 300 . 1 1 9 SER CA C -1.824 -1.866 -1.306 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xy9 1
2 . 301 . 1 1 9 SER CB C -0.806 -1.180 -0.393 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xy9 1
2 . 302 . 1 1 9 SER H H -2.454 0.096 -1.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xy9 1
2 . 303 . 1 1 9 SER HA H -1.300 -2.430 -2.078 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xy9 1
2 . 304 . 1 1 9 SER N N -2.616 -0.831 -1.953 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xy9 1
2 . 305 . 1 1 9 SER O O -3.711 -2.446 0.060 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xy9 1
2 . 306 . 1 1 10 CYS C C -3.035 -5.036 1.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xy9 1
2 . 307 . 1 1 10 CYS CA C -3.153 -5.168 -0.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xy9 1
2 . 308 . 1 1 10 CYS CB C -2.691 -6.564 -0.508 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xy9 1
2 . 309 . 1 1 10 CYS H H -1.584 -4.443 -1.183 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xy9 1
2 . 310 . 1 1 10 CYS HA H -4.222 -5.045 -0.272 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xy9 1
2 . 311 . 1 1 10 CYS HB2 H -2.529 -6.541 -1.605 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xy9 1
2 . 312 . 1 1 10 CYS HB3 H -1.706 -6.832 -0.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xy9 1
2 . 313 . 1 1 10 CYS N N -2.381 -4.122 -0.670 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xy9 1
2 . 314 . 1 1 10 CYS O O -4.044 -4.950 2.199 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xy9 1
3 . 315 . 1 1 1 CYS C C 1.455 -5.861 2.588 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xy9 1
3 . 316 . 1 1 1 CYS CA C 1.480 -7.381 2.751 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xy9 1
3 . 317 . 1 1 1 CYS CB C 0.381 -7.873 3.696 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xy9 1
3 . 318 . 1 1 1 CYS H1 H 2.848 -7.665 4.241 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xy9 1
3 . 319 . 1 1 1 CYS H2 H 2.980 -8.751 2.964 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xy9 1
3 . 320 . 1 1 1 CYS HA H 1.328 -7.875 1.793 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xy9 1
3 . 321 . 1 1 1 CYS HB2 H 0.701 -8.812 4.146 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xy9 1
3 . 322 . 1 1 1 CYS HB3 H 0.270 -7.154 4.507 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xy9 1
3 . 323 . 1 1 1 CYS N N 2.801 -7.769 3.218 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xy9 1
3 . 324 . 1 1 1 CYS O O 0.703 -5.172 3.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xy9 1
3 . 325 . 1 1 1 CYS SG S -1.252 -8.126 2.909 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xy9 1
3 . 326 . 1 1 2 LYS C C 3.446 -3.697 0.356 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xy9 1
3 . 327 . 1 1 2 LYS CA C 2.366 -3.956 1.409 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xy9 1
3 . 328 . 1 1 2 LYS CB C 2.580 -3.182 2.712 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xy9 1
3 . 329 . 1 1 2 LYS CD C 4.091 -1.319 1.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xy9 1
3 . 330 . 1 1 2 LYS CE C 5.100 -0.341 2.537 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xy9 1
3 . 331 . 1 1 2 LYS CG C 3.991 -2.593 2.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xy9 1
3 . 332 . 1 1 2 LYS H H 2.892 -5.950 1.117 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xy9 1
3 . 333 . 1 1 2 LYS HA H 1.405 -3.643 1.003 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xy9 1
3 . 334 . 1 1 2 LYS HB2 H 1.843 -2.382 2.790 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xy9 1
3 . 335 . 1 1 2 LYS HB3 H 2.420 -3.844 3.563 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xy9 1
3 . 336 . 1 1 2 LYS HD2 H 4.388 -1.575 0.915 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xy9 1
3 . 337 . 1 1 2 LYS HD3 H 3.113 -0.843 1.868 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xy9 1
3 . 338 . 1 1 2 LYS HE2 H 4.598 0.585 2.811 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xy9 1
3 . 339 . 1 1 2 LYS HE3 H 5.520 -0.761 3.450 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xy9 1
3 . 340 . 1 1 2 LYS HG2 H 4.248 -2.370 3.810 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xy9 1
3 . 341 . 1 1 2 LYS HG3 H 4.711 -3.327 2.418 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xy9 1
3 . 342 . 1 1 2 LYS HZ1 H 7.027 0.275 2.031 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xy9 1
3 . 343 . 1 1 2 LYS HZ2 H 6.448 -0.880 1.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xy9 1
3 . 344 . 1 1 2 LYS N N 2.285 -5.383 1.672 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xy9 1
3 . 345 . 1 1 2 LYS NZ N 6.186 -0.057 1.572 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xy9 1
3 . 346 . 1 1 2 LYS O O 4.540 -4.253 0.434 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xy9 1
3 . 347 . 1 1 3 PHE C C 4.658 -1.141 -1.434 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xy9 1
3 . 348 . 1 1 3 PHE CA C 4.025 -2.513 -1.672 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xy9 1
3 . 349 . 1 1 3 PHE CB C 3.215 -2.471 -2.968 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xy9 1
3 . 350 . 1 1 3 PHE CD1 C 2.878 -4.854 -3.658 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xy9 1
3 . 351 . 1 1 3 PHE CD2 C 4.292 -3.508 -4.977 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xy9 1
3 . 352 . 1 1 3 PHE CE1 C 3.116 -5.953 -4.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xy9 1
3 . 353 . 1 1 3 PHE CE2 C 4.529 -4.607 -5.843 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xy9 1
3 . 354 . 1 1 3 PHE CG C 3.471 -3.655 -3.902 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xy9 1
3 . 355 . 1 1 3 PHE CZ C 3.937 -5.807 -5.598 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xy9 1
3 . 356 . 1 1 3 PHE H H 2.208 -2.404 -0.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xy9 1
3 . 357 . 1 1 3 PHE HA H 4.806 -3.274 -1.677 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xy9 1
3 . 358 . 1 1 3 PHE HB2 H 2.154 -2.438 -2.721 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xy9 1
3 . 359 . 1 1 3 PHE HB3 H 3.445 -1.546 -3.499 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xy9 1
3 . 360 . 1 1 3 PHE HD1 H 2.221 -4.971 -2.796 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xy9 1
3 . 361 . 1 1 3 PHE HD2 H 4.768 -2.547 -5.172 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xy9 1
3 . 362 . 1 1 3 PHE HE1 H 2.642 -6.915 -4.328 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xy9 1
3 . 363 . 1 1 3 PHE HE2 H 5.188 -4.491 -6.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xy9 1
3 . 364 . 1 1 3 PHE HZ H 4.118 -6.650 -6.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xy9 1
3 . 365 . 1 1 3 PHE N N 3.100 -2.853 -0.604 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xy9 1
3 . 366 . 1 1 3 PHE O O 5.881 -1.016 -1.393 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xy9 1
3 . 367 . 1 1 4 ALA C C 3.058 2.100 -0.707 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA C . . rr_1xy9 1
3 . 368 . 1 1 4 ALA CA C 4.256 1.213 -1.048 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CA . . rr_1xy9 1
3 . 369 . 1 1 4 ALA CB C 5.018 1.712 -2.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CB . . rr_1xy9 1
3 . 370 . 1 1 4 ALA H H 2.803 -0.256 -1.317 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA H . . rr_1xy9 1
3 . 371 . 1 1 4 ALA HA H 4.937 1.194 -0.197 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HA . . rr_1xy9 1
3 . 372 . 1 1 4 ALA HB1 H 5.375 2.726 -2.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB1 . . rr_1xy9 1
3 . 373 . 1 1 4 ALA HB2 H 5.867 1.055 -2.470 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB2 . . rr_1xy9 1
3 . 374 . 1 1 4 ALA HB3 H 4.355 1.708 -3.141 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB3 . . rr_1xy9 1
3 . 375 . 1 1 4 ALA N N 3.796 -0.145 -1.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA N . . rr_1xy9 1
3 . 376 . 1 1 4 ALA O O 2.615 2.899 -1.531 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA O . . rr_1xy9 1
3 . 377 . 1 1 5 DTR C C 0.653 1.854 1.982 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xy9 1
3 . 378 . 1 1 5 DTR CA C 1.427 2.707 0.974 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xy9 1
3 . 379 . 1 1 5 DTR CB C 1.997 3.989 1.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xy9 1
3 . 380 . 1 1 5 DTR CD1 C 4.552 4.063 1.946 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xy9 1
3 . 381 . 1 1 5 DTR CD2 C 3.928 4.805 -0.046 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xy9 1
3 . 382 . 1 1 5 DTR CE2 C 5.303 4.897 0.018 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xy9 1
3 . 383 . 1 1 5 DTR CE3 C 3.219 5.200 -1.193 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xy9 1
3 . 384 . 1 1 5 DTR CG C 3.453 4.263 1.206 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xy9 1
3 . 385 . 1 1 5 DTR CH2 C 5.403 5.786 -2.187 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xy9 1
3 . 386 . 1 1 5 DTR CZ2 C 6.087 5.385 -1.035 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xy9 1
3 . 387 . 1 1 5 DTR CZ3 C 4.018 5.686 -2.236 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xy9 1
3 . 388 . 1 1 5 DTR H H 2.930 1.279 1.178 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xy9 1
3 . 389 . 1 1 5 DTR HA H 0.813 2.904 0.096 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xy9 1
3 . 390 . 1 1 5 DTR HB2 H 1.384 4.833 1.272 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xy9 1
3 . 391 . 1 1 5 DTR HB3 H 1.921 3.926 2.671 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xy9 1
3 . 392 . 1 1 5 DTR HD1 H 4.544 3.659 2.959 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xy9 1
3 . 393 . 1 1 5 DTR HE1 H 6.717 4.371 1.642 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xy9 1
3 . 394 . 1 1 5 DTR HE3 H 2.133 5.135 -1.264 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xy9 1
3 . 395 . 1 1 5 DTR HH2 H 5.954 6.174 -3.045 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xy9 1
3 . 396 . 1 1 5 DTR HZ2 H 7.173 5.449 -0.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xy9 1
3 . 397 . 1 1 5 DTR HZ3 H 3.518 6.006 -3.149 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xy9 1
3 . 398 . 1 1 5 DTR N N 2.564 1.931 0.512 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xy9 1
3 . 399 . 1 1 5 DTR NE1 N 5.695 4.433 1.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xy9 1
3 . 400 . 1 1 5 DTR O O 1.165 1.537 3.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xy9 1
3 . 401 . 1 1 6 IAM C C -2.759 0.406 1.782 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xy9 1
3 . 402 . 1 1 6 IAM CA C -1.420 0.701 2.459 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xy9 1
3 . 403 . 1 1 6 IAM CB C -1.674 1.513 3.732 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xy9 1
3 . 404 . 1 1 6 IAM CD1 C -3.706 2.918 4.137 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xy9 1
3 . 405 . 1 1 6 IAM CD2 C -2.053 3.753 2.682 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xy9 1
3 . 406 . 1 1 6 IAM CE1 C -4.481 4.090 3.930 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xy9 1
3 . 407 . 1 1 6 IAM CE2 C -2.828 4.926 2.475 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xy9 1
3 . 408 . 1 1 6 IAM CG C -2.508 2.775 3.507 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xy9 1
3 . 409 . 1 1 6 IAM CI C -3.520 8.467 3.362 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xy9 1
3 . 410 . 1 1 6 IAM CK1 C -2.750 7.798 4.516 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xy9 1
3 . 411 . 1 1 6 IAM CK2 C -4.732 9.229 3.926 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xy9 1
3 . 412 . 1 1 6 IAM CT C -4.865 6.340 2.882 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xy9 1
3 . 413 . 1 1 6 IAM CZ C -4.025 5.068 3.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xy9 1
3 . 414 . 1 1 6 IAM H H -0.979 1.774 0.729 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xy9 1
3 . 415 . 1 1 6 IAM HA H -0.895 -0.236 2.645 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xy9 1
3 . 416 . 1 1 6 IAM HB H -0.715 1.796 4.166 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xy9 1
3 . 417 . 1 1 6 IAM HB1 H -2.179 0.879 4.459 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xy9 1
3 . 418 . 1 1 6 IAM HD1 H -4.070 2.133 4.799 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xy9 1
3 . 419 . 1 1 6 IAM HD2 H -1.093 3.639 2.177 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xy9 1
3 . 420 . 1 1 6 IAM HE1 H -5.440 4.205 4.435 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xy9 1
3 . 421 . 1 1 6 IAM HE2 H -2.462 5.712 1.815 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xy9 1
3 . 422 . 1 1 6 IAM HH H -3.694 7.472 1.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xy9 1
3 . 423 . 1 1 6 IAM HI H -2.873 9.152 2.853 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xy9 1
3 . 424 . 1 1 6 IAM HK11 H -3.397 7.112 5.025 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xy9 1
3 . 425 . 1 1 6 IAM HK12 H -1.907 7.268 4.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xy9 1
3 . 426 . 1 1 6 IAM HK13 H -2.413 8.546 5.202 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xy9 1
3 . 427 . 1 1 6 IAM HK21 H -5.266 9.693 3.123 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xy9 1
3 . 428 . 1 1 6 IAM HK22 H -5.379 8.545 4.434 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xy9 1
3 . 429 . 1 1 6 IAM HK23 H -4.397 9.977 4.612 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xy9 1
3 . 430 . 1 1 6 IAM HT1 H -5.330 6.625 3.802 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xy9 1
3 . 431 . 1 1 6 IAM HT2 H -5.617 6.148 2.144 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xy9 1
3 . 432 . 1 1 6 IAM N N -0.569 1.510 1.602 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xy9 1
3 . 433 . 1 1 6 IAM NH N -3.984 7.432 2.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xy9 1
3 . 434 . 1 1 6 IAM O O -3.264 -0.714 1.857 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xy9 1
3 . 435 . 1 1 7 THR C C -4.431 0.343 -0.743 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xy9 1
3 . 436 . 1 1 7 THR CA C -4.569 1.295 0.447 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xy9 1
3 . 437 . 1 1 7 THR CB C -5.045 2.695 0.052 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xy9 1
3 . 438 . 1 1 7 THR CG2 C -6.173 2.659 -0.981 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xy9 1
3 . 439 . 1 1 7 THR H H -2.882 2.338 1.080 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xy9 1
3 . 440 . 1 1 7 THR HA H -5.287 0.847 1.134 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xy9 1
3 . 441 . 1 1 7 THR HB H -4.213 3.304 -0.301 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xy9 1
3 . 442 . 1 1 7 THR HG1 H -6.391 2.568 1.527 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xy9 1
3 . 443 . 1 1 7 THR HG21 H -6.803 3.542 -0.861 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xy9 1
3 . 444 . 1 1 7 THR HG22 H -5.747 2.652 -1.985 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xy9 1
3 . 445 . 1 1 7 THR HG23 H -6.774 1.762 -0.834 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xy9 1
3 . 446 . 1 1 7 THR N N -3.297 1.431 1.136 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xy9 1
3 . 447 . 1 1 7 THR O O -4.475 -0.875 -0.577 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xy9 1
3 . 448 . 1 1 7 THR OG1 O -5.670 3.194 1.232 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xy9 1
3 . 449 . 1 1 8 THR C C -3.341 -1.132 -2.871 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xy9 1
3 . 450 . 1 1 8 THR CA C -4.124 0.155 -3.134 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xy9 1
3 . 451 . 1 1 8 THR CB C -3.299 1.027 -4.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xy9 1
3 . 452 . 1 1 8 THR H H -4.235 1.926 -2.045 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xy9 1
3 . 453 . 1 1 8 THR HA H -5.093 -0.125 -3.592 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xy9 1
3 . 454 . 1 1 8 THR N N -4.270 0.935 -1.918 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xy9 1
3 . 455 . 1 1 8 THR O O -3.615 -2.166 -3.478 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xy9 1
3 . 456 . 1 1 9 SER C C -2.426 -3.336 -1.148 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xy9 1
3 . 457 . 1 1 9 SER CA C -1.553 -2.169 -1.615 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xy9 1
3 . 458 . 1 1 9 SER CB C -0.536 -1.714 -0.565 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xy9 1
3 . 459 . 1 1 9 SER H H -2.162 -0.183 -1.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xy9 1
3 . 460 . 1 1 9 SER HA H -1.027 -2.501 -2.511 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xy9 1
3 . 461 . 1 1 9 SER N N -2.379 -1.028 -1.966 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xy9 1
3 . 462 . 1 1 9 SER O O -3.599 -3.148 -0.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xy9 1
3 . 463 . 1 1 10 CYS C C -3.210 -5.469 0.647 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xy9 1
3 . 464 . 1 1 10 CYS CA C -2.529 -5.711 -0.703 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xy9 1
3 . 465 . 1 1 10 CYS CB C -1.561 -6.919 -0.644 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xy9 1
3 . 466 . 1 1 10 CYS H H -0.867 -4.657 -1.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xy9 1
3 . 467 . 1 1 10 CYS HA H -3.330 -5.941 -1.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xy9 1
3 . 468 . 1 1 10 CYS HB2 H -1.083 -7.063 -1.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xy9 1
3 . 469 . 1 1 10 CYS HB3 H -0.722 -6.725 0.052 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xy9 1
3 . 470 . 1 1 10 CYS N N -1.820 -4.514 -1.126 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xy9 1
3 . 471 . 1 1 10 CYS O O -4.433 -5.533 0.749 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xy9 1
4 . 472 . 1 1 1 CYS C C 2.306 -6.644 2.760 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xy9 1
4 . 473 . 1 1 1 CYS CA C 2.580 -8.136 2.964 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xy9 1
4 . 474 . 1 1 1 CYS CB C 1.448 -8.825 3.729 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xy9 1
4 . 475 . 1 1 1 CYS H1 H 3.921 -7.568 4.397 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xy9 1
4 . 476 . 1 1 1 CYS H2 H 3.920 -9.215 4.064 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xy9 1
4 . 477 . 1 1 1 CYS HA H 2.684 -8.644 2.007 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xy9 1
4 . 478 . 1 1 1 CYS HB2 H 1.860 -9.680 4.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xy9 1
4 . 479 . 1 1 1 CYS HB3 H 1.062 -8.135 4.479 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xy9 1
4 . 480 . 1 1 1 CYS N N 3.854 -8.275 3.651 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xy9 1
4 . 481 . 1 1 1 CYS O O 1.337 -6.108 3.294 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xy9 1
4 . 482 . 1 1 1 CYS SG S 0.057 -9.398 2.687 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xy9 1
4 . 483 . 1 1 2 LYS C C 4.214 -4.141 0.830 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xy9 1
4 . 484 . 1 1 2 LYS CA C 3.041 -4.597 1.700 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xy9 1
4 . 485 . 1 1 2 LYS CB C 2.894 -3.804 2.999 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xy9 1
4 . 486 . 1 1 2 LYS CD C 4.155 -1.692 2.439 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xy9 1
4 . 487 . 1 1 2 LYS CE C 4.872 -0.559 3.173 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xy9 1
4 . 488 . 1 1 2 LYS CG C 4.146 -2.971 3.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xy9 1
4 . 489 . 1 1 2 LYS H H 3.962 -6.460 1.550 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xy9 1
4 . 490 . 1 1 2 LYS HA H 2.120 -4.464 1.135 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xy9 1
4 . 491 . 1 1 2 LYS HB2 H 2.025 -3.148 2.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xy9 1
4 . 492 . 1 1 2 LYS HB3 H 2.714 -4.486 3.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xy9 1
4 . 493 . 1 1 2 LYS HD2 H 4.649 -1.882 1.486 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xy9 1
4 . 494 . 1 1 2 LYS HD3 H 3.132 -1.394 2.212 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xy9 1
4 . 495 . 1 1 2 LYS HE2 H 4.186 0.276 3.324 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xy9 1
4 . 496 . 1 1 2 LYS HE3 H 5.184 -0.898 4.162 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xy9 1
4 . 497 . 1 1 2 LYS HG2 H 4.188 -2.716 4.337 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xy9 1
4 . 498 . 1 1 2 LYS HG3 H 5.036 -3.561 3.059 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xy9 1
4 . 499 . 1 1 2 LYS HZ1 H 6.733 0.362 2.992 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xy9 1
4 . 500 . 1 1 2 LYS HZ2 H 6.533 -0.878 1.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xy9 1
4 . 501 . 1 1 2 LYS N N 3.177 -6.015 1.983 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xy9 1
4 . 502 . 1 1 2 LYS NZ N 6.050 -0.106 2.404 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xy9 1
4 . 503 . 1 1 2 LYS O O 5.362 -4.501 1.089 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xy9 1
4 . 504 . 1 1 3 PHE C C 5.230 -1.382 -0.781 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xy9 1
4 . 505 . 1 1 3 PHE CA C 4.899 -2.843 -1.093 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xy9 1
4 . 506 . 1 1 3 PHE CB C 4.318 -2.932 -2.504 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xy9 1
4 . 507 . 1 1 3 PHE CD1 C 4.776 -5.286 -3.227 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xy9 1
4 . 508 . 1 1 3 PHE CD2 C 5.871 -3.541 -4.373 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xy9 1
4 . 509 . 1 1 3 PHE CE1 C 5.422 -6.237 -4.059 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xy9 1
4 . 510 . 1 1 3 PHE CE2 C 6.517 -4.494 -5.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xy9 1
4 . 511 . 1 1 3 PHE CG C 5.014 -3.957 -3.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xy9 1
4 . 512 . 1 1 3 PHE CZ C 6.280 -5.822 -5.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xy9 1
4 . 513 . 1 1 3 PHE H H 2.952 -3.066 -0.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xy9 1
4 . 514 . 1 1 3 PHE HA H 5.793 -3.452 -0.957 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xy9 1
4 . 515 . 1 1 3 PHE HB2 H 3.259 -3.183 -2.436 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xy9 1
4 . 516 . 1 1 3 PHE HB3 H 4.382 -1.950 -2.976 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xy9 1
4 . 517 . 1 1 3 PHE HD1 H 4.088 -5.617 -2.449 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xy9 1
4 . 518 . 1 1 3 PHE HD2 H 6.062 -2.477 -4.513 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xy9 1
4 . 519 . 1 1 3 PHE HE1 H 5.232 -7.302 -3.920 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xy9 1
4 . 520 . 1 1 3 PHE HE2 H 7.204 -4.160 -5.984 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xy9 1
4 . 521 . 1 1 3 PHE HZ H 6.776 -6.552 -5.668 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xy9 1
4 . 522 . 1 1 3 PHE N N 3.887 -3.354 -0.184 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xy9 1
4 . 523 . 1 1 3 PHE O O 6.358 -1.063 -0.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xy9 1
4 . 524 . 1 1 4 ALA C C 3.055 1.599 -0.879 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA C . . rr_1xy9 1
4 . 525 . 1 1 4 ALA CA C 4.394 0.885 -0.680 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CA . . rr_1xy9 1
4 . 526 . 1 1 4 ALA CB C 5.493 1.443 -1.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CB . . rr_1xy9 1
4 . 527 . 1 1 4 ALA H H 3.308 -0.803 -1.238 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA H . . rr_1xy9 1
4 . 528 . 1 1 4 ALA HA H 4.704 0.998 0.359 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HA . . rr_1xy9 1
4 . 529 . 1 1 4 ALA HB1 H 5.630 2.504 -1.380 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB1 . . rr_1xy9 1
4 . 530 . 1 1 4 ALA HB2 H 6.425 0.912 -1.395 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB2 . . rr_1xy9 1
4 . 531 . 1 1 4 ALA HB3 H 5.206 1.310 -2.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB3 . . rr_1xy9 1
4 . 532 . 1 1 4 ALA N N 4.224 -0.534 -0.939 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA N . . rr_1xy9 1
4 . 533 . 1 1 4 ALA O O 2.727 2.011 -1.991 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA O . . rr_1xy9 1
4 . 534 . 1 1 5 DTR C C 0.191 1.863 1.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xy9 1
4 . 535 . 1 1 5 DTR CA C 1.023 2.382 0.172 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xy9 1
4 . 536 . 1 1 5 DTR CB C 1.299 3.886 0.252 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xy9 1
4 . 537 . 1 1 5 DTR CD1 C 3.587 5.031 -0.093 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xy9 1
4 . 538 . 1 1 5 DTR CD2 C 3.510 3.761 1.720 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xy9 1
4 . 539 . 1 1 5 DTR CE2 C 4.775 4.308 1.652 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xy9 1
4 . 540 . 1 1 5 DTR CE3 C 3.138 2.899 2.768 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xy9 1
4 . 541 . 1 1 5 DTR CG C 2.751 4.234 0.587 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xy9 1
4 . 542 . 1 1 5 DTR CH2 C 5.425 3.199 3.655 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xy9 1
4 . 543 . 1 1 5 DTR CZ2 C 5.771 4.055 2.603 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xy9 1
4 . 544 . 1 1 5 DTR CZ3 C 4.146 2.655 3.708 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xy9 1
4 . 545 . 1 1 5 DTR H H 2.592 1.388 1.115 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xy9 1
4 . 546 . 1 1 5 DTR HA H 0.562 2.094 -0.772 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xy9 1
4 . 547 . 1 1 5 DTR HB2 H 1.037 4.344 -0.702 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xy9 1
4 . 548 . 1 1 5 DTR HB3 H 0.647 4.325 1.007 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xy9 1
4 . 549 . 1 1 5 DTR HD1 H 3.323 5.553 -1.013 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xy9 1
4 . 550 . 1 1 5 DTR HE1 H 5.680 5.682 0.167 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xy9 1
4 . 551 . 1 1 5 DTR HE3 H 2.145 2.457 2.840 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xy9 1
4 . 552 . 1 1 5 DTR HH2 H 6.154 2.960 4.430 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xy9 1
4 . 553 . 1 1 5 DTR HZ2 H 6.763 4.499 2.527 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xy9 1
4 . 554 . 1 1 5 DTR HZ3 H 3.912 1.994 4.543 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xy9 1
4 . 555 . 1 1 5 DTR N N 2.318 1.724 0.214 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xy9 1
4 . 556 . 1 1 5 DTR NE1 N 4.823 5.105 0.514 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xy9 1
4 . 557 . 1 1 5 DTR O O 0.621 0.963 2.066 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xy9 1
4 . 558 . 1 1 6 IAM C C -3.254 1.670 2.034 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xy9 1
4 . 559 . 1 1 6 IAM CA C -1.880 2.061 2.581 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xy9 1
4 . 560 . 1 1 6 IAM CB C -2.036 3.275 3.498 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xy9 1
4 . 561 . 1 1 6 IAM CD1 C -4.136 4.631 3.332 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xy9 1
4 . 562 . 1 1 6 IAM CD2 C -2.339 5.193 1.917 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xy9 1
4 . 563 . 1 1 6 IAM CE1 C -4.907 5.684 2.772 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xy9 1
4 . 564 . 1 1 6 IAM CE2 C -3.110 6.246 1.355 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xy9 1
4 . 565 . 1 1 6 IAM CG C -2.868 4.409 2.893 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xy9 1
4 . 566 . 1 1 6 IAM CI C -4.733 8.632 -1.112 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xy9 1
4 . 567 . 1 1 6 IAM CK1 C -5.948 9.375 -1.698 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xy9 1
4 . 568 . 1 1 6 IAM CK2 C -3.850 8.105 -2.256 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xy9 1
4 . 569 . 1 1 6 IAM CT C -5.214 7.608 1.187 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xy9 1
4 . 570 . 1 1 6 IAM CZ C -4.379 6.468 1.794 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xy9 1
4 . 571 . 1 1 6 IAM H H -1.326 3.185 0.916 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xy9 1
4 . 572 . 1 1 6 IAM HA H -1.431 1.201 3.078 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xy9 1
4 . 573 . 1 1 6 IAM HB H -1.048 3.659 3.748 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xy9 1
4 . 574 . 1 1 6 IAM HB1 H -2.500 2.957 4.430 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xy9 1
4 . 575 . 1 1 6 IAM HD1 H -4.559 4.001 4.116 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xy9 1
4 . 576 . 1 1 6 IAM HD2 H -1.324 5.014 1.565 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xy9 1
4 . 577 . 1 1 6 IAM HE1 H -5.924 5.862 3.125 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xy9 1
4 . 578 . 1 1 6 IAM HE2 H -2.686 6.875 0.572 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xy9 1
4 . 579 . 1 1 6 IAM HH H -5.517 6.626 -0.740 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xy9 1
4 . 580 . 1 1 6 IAM HI H -4.166 9.304 -0.502 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xy9 1
4 . 581 . 1 1 6 IAM HK11 H -6.517 8.702 -2.308 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xy9 1
4 . 582 . 1 1 6 IAM HK12 H -6.561 9.740 -0.903 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xy9 1
4 . 583 . 1 1 6 IAM HK13 H -5.610 10.196 -2.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xy9 1
4 . 584 . 1 1 6 IAM HK21 H -3.007 7.589 -1.847 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xy9 1
4 . 585 . 1 1 6 IAM HK22 H -4.417 7.432 -2.866 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xy9 1
4 . 586 . 1 1 6 IAM HK23 H -3.510 8.925 -2.854 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xy9 1
4 . 587 . 1 1 6 IAM HT1 H -4.797 8.550 1.478 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xy9 1
4 . 588 . 1 1 6 IAM HT2 H -6.223 7.540 1.541 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xy9 1
4 . 589 . 1 1 6 IAM N N -0.984 2.453 1.505 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xy9 1
4 . 590 . 1 1 6 IAM NH N -5.201 7.496 -0.287 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xy9 1
4 . 591 . 1 1 6 IAM O O -3.814 0.647 2.428 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xy9 1
4 . 592 . 1 1 7 THR C C -5.032 0.951 -0.267 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xy9 1
4 . 593 . 1 1 7 THR CA C -5.055 2.257 0.531 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xy9 1
4 . 594 . 1 1 7 THR CB C -5.424 3.478 -0.313 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xy9 1
4 . 595 . 1 1 7 THR CG2 C -6.775 3.320 -1.013 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xy9 1
4 . 596 . 1 1 7 THR H H -3.294 3.331 0.821 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xy9 1
4 . 597 . 1 1 7 THR HA H -5.788 2.132 1.328 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xy9 1
4 . 598 . 1 1 7 THR HB H -4.637 3.705 -1.032 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xy9 1
4 . 599 . 1 1 7 THR HG1 H -6.344 4.219 1.302 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xy9 1
4 . 600 . 1 1 7 THR HG21 H -7.227 4.302 -1.157 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xy9 1
4 . 601 . 1 1 7 THR HG22 H -6.629 2.845 -1.982 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xy9 1
4 . 602 . 1 1 7 THR HG23 H -7.433 2.705 -0.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xy9 1
4 . 603 . 1 1 7 THR N N -3.757 2.502 1.135 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xy9 1
4 . 604 . 1 1 7 THR O O -4.962 -0.133 0.310 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xy9 1
4 . 605 . 1 1 7 THR OG1 O -5.647 4.509 0.645 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xy9 1
4 . 606 . 1 1 8 THR C C -4.146 -1.144 -1.934 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xy9 1
4 . 607 . 1 1 8 THR CA C -5.082 -0.056 -2.466 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xy9 1
4 . 608 . 1 1 8 THR CB C -4.518 0.438 -3.831 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xy9 1
4 . 609 . 1 1 8 THR H H -5.153 1.983 -2.044 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xy9 1
4 . 610 . 1 1 8 THR HA H -6.082 -0.508 -2.609 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xy9 1
4 . 611 . 1 1 8 THR N N -5.094 1.098 -1.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xy9 1
4 . 612 . 1 1 8 THR O O -4.556 -1.981 -1.131 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xy9 1
4 . 613 . 1 1 9 SER C C -2.517 -3.473 -1.954 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xy9 1
4 . 614 . 1 1 9 SER CA C -1.911 -2.067 -1.987 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xy9 1
4 . 615 . 1 1 9 SER CB C -1.349 -1.617 -0.637 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xy9 1
4 . 616 . 1 1 9 SER H H -2.585 -0.412 -3.058 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xy9 1
4 . 617 . 1 1 9 SER HA H -1.112 -2.080 -2.727 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xy9 1
4 . 618 . 1 1 9 SER N N -2.908 -1.095 -2.404 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xy9 1
4 . 619 . 1 1 9 SER O O -3.603 -3.697 -2.483 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xy9 1
4 . 620 . 1 1 10 CYS C C -2.553 -6.092 0.244 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xy9 1
4 . 621 . 1 1 10 CYS CA C -2.237 -5.759 -1.216 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xy9 1
4 . 622 . 1 1 10 CYS CB C -1.177 -6.723 -1.805 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xy9 1
4 . 623 . 1 1 10 CYS H H -0.903 -4.191 -0.897 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xy9 1
4 . 624 . 1 1 10 CYS HA H -3.177 -5.884 -1.784 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xy9 1
4 . 625 . 1 1 10 CYS HB2 H -0.688 -6.250 -2.680 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xy9 1
4 . 626 . 1 1 10 CYS HB3 H -0.356 -6.903 -1.083 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xy9 1
4 . 627 . 1 1 10 CYS N N -1.788 -4.381 -1.325 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xy9 1
4 . 628 . 1 1 10 CYS O O -3.278 -7.045 0.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xy9 1
5 . 629 . 1 1 1 CYS C C 1.556 -5.825 2.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xy9 1
5 . 630 . 1 1 1 CYS CA C 1.394 -7.339 2.250 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xy9 1
5 . 631 . 1 1 1 CYS CB C 0.308 -7.891 3.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xy9 1
5 . 632 . 1 1 1 CYS H1 H 3.206 -8.039 1.619 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xy9 1
5 . 633 . 1 1 1 CYS H2 H 3.217 -7.388 3.171 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xy9 1
5 . 634 . 1 1 1 CYS HA H 1.115 -7.598 1.230 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xy9 1
5 . 635 . 1 1 1 CYS HB2 H 0.071 -8.910 2.866 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xy9 1
5 . 636 . 1 1 1 CYS HB3 H 0.707 -7.950 4.187 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xy9 1
5 . 637 . 1 1 1 CYS N N 2.683 -7.962 2.503 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xy9 1
5 . 638 . 1 1 1 CYS O O 0.894 -5.206 3.233 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xy9 1
5 . 639 . 1 1 1 CYS SG S -1.241 -6.916 3.210 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xy9 1
5 . 640 . 1 1 2 LYS C C 3.807 -3.505 0.618 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xy9 1
5 . 641 . 1 1 2 LYS CA C 2.693 -3.841 1.612 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xy9 1
5 . 642 . 1 1 2 LYS CB C 2.985 -3.380 3.041 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xy9 1
5 . 643 . 1 1 2 LYS CD C 2.750 -0.878 2.826 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xy9 1
5 . 644 . 1 1 2 LYS CE C 3.055 0.135 3.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xy9 1
5 . 645 . 1 1 2 LYS CG C 2.142 -2.156 3.406 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xy9 1
5 . 646 . 1 1 2 LYS H H 2.970 -5.781 0.906 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xy9 1
5 . 647 . 1 1 2 LYS HA H 1.781 -3.340 1.292 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xy9 1
5 . 648 . 1 1 2 LYS HB2 H 2.776 -4.191 3.740 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xy9 1
5 . 649 . 1 1 2 LYS HB3 H 4.043 -3.139 3.141 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xy9 1
5 . 650 . 1 1 2 LYS HD2 H 3.666 -1.120 2.286 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xy9 1
5 . 651 . 1 1 2 LYS HD3 H 2.063 -0.439 2.104 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xy9 1
5 . 652 . 1 1 2 LYS HE2 H 2.771 1.134 3.604 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xy9 1
5 . 653 . 1 1 2 LYS HE3 H 2.459 -0.094 4.815 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xy9 1
5 . 654 . 1 1 2 LYS HG2 H 1.127 -2.284 3.032 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xy9 1
5 . 655 . 1 1 2 LYS HG3 H 2.072 -2.070 4.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xy9 1
5 . 656 . 1 1 2 LYS HZ1 H 4.668 0.473 5.206 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xy9 1
5 . 657 . 1 1 2 LYS HZ2 H 4.872 -0.832 4.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xy9 1
5 . 658 . 1 1 2 LYS N N 2.437 -5.272 1.581 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xy9 1
5 . 659 . 1 1 2 LYS NZ N 4.493 0.108 4.275 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xy9 1
5 . 660 . 1 1 2 LYS O O 4.976 -3.798 0.869 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xy9 1
5 . 661 . 1 1 3 PHE C C 4.971 -1.149 -1.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xy9 1
5 . 662 . 1 1 3 PHE CA C 4.356 -2.518 -1.520 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xy9 1
5 . 663 . 1 1 3 PHE CB C 3.579 -2.439 -2.835 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xy9 1
5 . 664 . 1 1 3 PHE CD1 C 5.119 -3.389 -4.566 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xy9 1
5 . 665 . 1 1 3 PHE CD2 C 3.164 -4.594 -4.043 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xy9 1
5 . 666 . 1 1 3 PHE CE1 C 5.481 -4.385 -5.511 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xy9 1
5 . 667 . 1 1 3 PHE CE2 C 3.526 -5.592 -4.987 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xy9 1
5 . 668 . 1 1 3 PHE CG C 3.968 -3.515 -3.853 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xy9 1
5 . 669 . 1 1 3 PHE CZ C 4.677 -5.466 -5.701 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xy9 1
5 . 670 . 1 1 3 PHE H H 2.453 -2.662 -0.684 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xy9 1
5 . 671 . 1 1 3 PHE HA H 5.142 -3.273 -1.529 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xy9 1
5 . 672 . 1 1 3 PHE HB2 H 2.513 -2.526 -2.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xy9 1
5 . 673 . 1 1 3 PHE HB3 H 3.735 -1.458 -3.282 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xy9 1
5 . 674 . 1 1 3 PHE HD1 H 5.764 -2.522 -4.412 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xy9 1
5 . 675 . 1 1 3 PHE HD2 H 2.241 -4.694 -3.472 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xy9 1
5 . 676 . 1 1 3 PHE HE1 H 6.403 -4.285 -6.083 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xy9 1
5 . 677 . 1 1 3 PHE HE2 H 2.882 -6.457 -5.139 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xy9 1
5 . 678 . 1 1 3 PHE HZ H 4.954 -6.231 -6.427 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xy9 1
5 . 679 . 1 1 3 PHE N N 3.406 -2.897 -0.488 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xy9 1
5 . 680 . 1 1 3 PHE O O 6.174 -1.043 -0.989 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xy9 1
5 . 681 . 1 1 4 ALA C C 3.355 2.159 -0.972 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA C . . rr_1xy9 1
5 . 682 . 1 1 4 ALA CA C 4.563 1.222 -0.977 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CA . . rr_1xy9 1
5 . 683 . 1 1 4 ALA CB C 5.613 1.627 -2.014 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CB . . rr_1xy9 1
5 . 684 . 1 1 4 ALA H H 3.141 -0.230 -1.431 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA H . . rr_1xy9 1
5 . 685 . 1 1 4 ALA HA H 5.026 1.234 0.010 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HA . . rr_1xy9 1
5 . 686 . 1 1 4 ALA HB1 H 5.957 2.640 -1.807 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB1 . . rr_1xy9 1
5 . 687 . 1 1 4 ALA HB2 H 6.456 0.938 -1.967 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB2 . . rr_1xy9 1
5 . 688 . 1 1 4 ALA HB3 H 5.170 1.592 -3.011 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB3 . . rr_1xy9 1
5 . 689 . 1 1 4 ALA N N 4.120 -0.136 -1.240 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA N . . rr_1xy9 1
5 . 690 . 1 1 4 ALA O O 3.039 2.775 -1.990 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA O . . rr_1xy9 1
5 . 691 . 1 1 5 DTR C C 0.788 2.642 1.585 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xy9 1
5 . 692 . 1 1 5 DTR CA C 1.544 3.089 0.331 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xy9 1
5 . 693 . 1 1 5 DTR CB C 2.066 4.526 0.427 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xy9 1
5 . 694 . 1 1 5 DTR CD1 C 3.828 4.733 2.303 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xy9 1
5 . 695 . 1 1 5 DTR CD2 C 4.714 4.657 0.273 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xy9 1
5 . 696 . 1 1 5 DTR CE2 C 5.753 4.768 1.173 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xy9 1
5 . 697 . 1 1 5 DTR CE3 C 4.949 4.587 -1.112 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xy9 1
5 . 698 . 1 1 5 DTR CG C 3.474 4.637 1.012 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xy9 1
5 . 699 . 1 1 5 DTR CH2 C 7.357 4.749 -0.585 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xy9 1
5 . 700 . 1 1 5 DTR CZ2 C 7.099 4.818 0.789 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xy9 1
5 . 701 . 1 1 5 DTR CZ3 C 6.299 4.638 -1.479 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xy9 1
5 . 702 . 1 1 5 DTR H H 2.973 1.733 1.005 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xy9 1
5 . 703 . 1 1 5 DTR HA H 0.931 2.929 -0.555 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xy9 1
5 . 704 . 1 1 5 DTR HB2 H 2.061 4.971 -0.569 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xy9 1
5 . 705 . 1 1 5 DTR HB3 H 1.381 5.110 1.042 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xy9 1
5 . 706 . 1 1 5 DTR HD1 H 3.121 4.745 3.132 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xy9 1
5 . 707 . 1 1 5 DTR HE1 H 5.743 4.903 3.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xy9 1
5 . 708 . 1 1 5 DTR HE3 H 4.143 4.498 -1.841 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xy9 1
5 . 709 . 1 1 5 DTR HH2 H 8.384 4.781 -0.952 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xy9 1
5 . 710 . 1 1 5 DTR HZ2 H 7.902 4.906 1.521 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xy9 1
5 . 711 . 1 1 5 DTR HZ3 H 6.537 4.586 -2.541 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xy9 1
5 . 712 . 1 1 5 DTR N N 2.710 2.239 0.182 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xy9 1
5 . 713 . 1 1 5 DTR NE1 N 5.198 4.815 2.448 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xy9 1
5 . 714 . 1 1 5 DTR O O 1.354 2.609 2.675 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xy9 1
5 . 715 . 1 1 6 IAM C C -2.696 1.431 1.986 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xy9 1
5 . 716 . 1 1 6 IAM CA C -1.318 1.865 2.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xy9 1
5 . 717 . 1 1 6 IAM CB C -1.483 3.057 3.433 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xy9 1
5 . 718 . 1 1 6 IAM CD1 C -1.561 4.930 1.772 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xy9 1
5 . 719 . 1 1 6 IAM CD2 C -3.380 4.680 3.247 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xy9 1
5 . 720 . 1 1 6 IAM CE1 C -2.196 6.053 1.178 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xy9 1
5 . 721 . 1 1 6 IAM CE2 C -4.016 5.804 2.653 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xy9 1
5 . 722 . 1 1 6 IAM CG C -2.167 4.266 2.794 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xy9 1
5 . 723 . 1 1 6 IAM CI C -4.971 9.588 2.461 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xy9 1
5 . 724 . 1 1 6 IAM CK1 C -3.578 9.744 3.098 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xy9 1
5 . 725 . 1 1 6 IAM CK2 C -6.055 9.835 3.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xy9 1
5 . 726 . 1 1 6 IAM CT C -4.098 7.682 0.988 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xy9 1
5 . 727 . 1 1 6 IAM CZ C -3.408 6.465 1.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xy9 1
5 . 728 . 1 1 6 IAM H H -0.932 2.338 0.496 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xy9 1
5 . 729 . 1 1 6 IAM HA H -0.817 1.015 2.951 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xy9 1
5 . 730 . 1 1 6 IAM HB H -0.502 3.358 3.797 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xy9 1
5 . 731 . 1 1 6 IAM HB1 H -2.062 2.741 4.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xy9 1
5 . 732 . 1 1 6 IAM HD1 H -0.588 4.599 1.409 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xy9 1
5 . 733 . 1 1 6 IAM HD2 H -3.865 4.149 4.066 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xy9 1
5 . 734 . 1 1 6 IAM HE1 H -1.710 6.583 0.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xy9 1
5 . 735 . 1 1 6 IAM HE2 H -4.988 6.134 3.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xy9 1
5 . 736 . 1 1 6 IAM HH H -5.924 7.641 2.186 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xy9 1
5 . 737 . 1 1 6 IAM HI H -5.081 10.299 1.668 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xy9 1
5 . 738 . 1 1 6 IAM HK11 H -3.467 9.033 3.891 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xy9 1
5 . 739 . 1 1 6 IAM HK12 H -2.825 9.572 2.359 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xy9 1
5 . 740 . 1 1 6 IAM HK13 H -3.474 10.735 3.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xy9 1
5 . 741 . 1 1 6 IAM HK21 H -7.022 9.726 3.080 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xy9 1
5 . 742 . 1 1 6 IAM HK22 H -5.946 9.125 4.317 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xy9 1
5 . 743 . 1 1 6 IAM HK23 H -5.952 10.824 3.917 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xy9 1
5 . 744 . 1 1 6 IAM HT1 H -4.570 7.382 0.074 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xy9 1
5 . 745 . 1 1 6 IAM HT2 H -3.368 8.439 0.782 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xy9 1
5 . 746 . 1 1 6 IAM N N -0.479 2.308 1.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xy9 1
5 . 747 . 1 1 6 IAM NH N -5.115 8.219 1.917 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xy9 1
5 . 748 . 1 1 6 IAM O O -3.177 0.354 2.337 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xy9 1
5 . 749 . 1 1 7 THR C C -4.602 0.668 -0.112 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xy9 1
5 . 750 . 1 1 7 THR CA C -4.607 2.012 0.622 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xy9 1
5 . 751 . 1 1 7 THR CB C -5.006 3.189 -0.272 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xy9 1
5 . 752 . 1 1 7 THR CG2 C -6.391 3.009 -0.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xy9 1
5 . 753 . 1 1 7 THR H H -2.893 3.165 0.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xy9 1
5 . 754 . 1 1 7 THR HA H -5.316 1.923 1.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xy9 1
5 . 755 . 1 1 7 THR HB H -4.254 3.367 -1.039 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xy9 1
5 . 756 . 1 1 7 THR HG1 H -5.838 4.029 1.343 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xy9 1
5 . 757 . 1 1 7 THR HG21 H -6.840 3.986 -1.070 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xy9 1
5 . 758 . 1 1 7 THR HG22 H -6.297 2.477 -1.841 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xy9 1
5 . 759 . 1 1 7 THR HG23 H -7.023 2.435 -0.215 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xy9 1
5 . 760 . 1 1 7 THR N N -3.293 2.292 1.174 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xy9 1
5 . 761 . 1 1 7 THR O O -4.548 -0.386 0.519 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xy9 1
5 . 762 . 1 1 7 THR OG1 O -5.172 4.273 0.638 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xy9 1
5 . 763 . 1 1 8 THR C C -3.791 -1.540 -1.638 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xy9 1
5 . 764 . 1 1 8 THR CA C -4.661 -0.443 -2.258 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xy9 1
5 . 765 . 1 1 8 THR CB C -4.026 -0.041 -3.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xy9 1
5 . 766 . 1 1 8 THR H H -4.701 1.614 -1.937 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xy9 1
5 . 767 . 1 1 8 THR HA H -5.671 -0.862 -2.418 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xy9 1
5 . 768 . 1 1 8 THR N N -4.658 0.751 -1.433 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xy9 1
5 . 769 . 1 1 8 THR O O -4.272 -2.341 -0.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xy9 1
5 . 770 . 1 1 9 SER C C -2.173 -3.931 -1.634 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xy9 1
5 . 771 . 1 1 9 SER CA C -1.584 -2.523 -1.522 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xy9 1
5 . 772 . 1 1 9 SER CB C -1.215 -2.130 -0.090 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xy9 1
5 . 773 . 1 1 9 SER H H -2.141 -0.883 -2.679 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xy9 1
5 . 774 . 1 1 9 SER HA H -0.691 -2.500 -2.147 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xy9 1
5 . 775 . 1 1 9 SER N N -2.525 -1.538 -2.031 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xy9 1
5 . 776 . 1 1 9 SER O O -3.155 -4.143 -2.343 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xy9 1
5 . 777 . 1 1 10 CYS C C -3.140 -6.424 0.071 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xy9 1
5 . 778 . 1 1 10 CYS CA C -1.998 -6.238 -0.930 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xy9 1
5 . 779 . 1 1 10 CYS CB C -0.816 -7.195 -0.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xy9 1
5 . 780 . 1 1 10 CYS H H -0.750 -4.677 -0.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xy9 1
5 . 781 . 1 1 10 CYS HA H -2.405 -6.485 -1.928 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xy9 1
5 . 782 . 1 1 10 CYS HB2 H 0.109 -6.801 -1.095 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xy9 1
5 . 783 . 1 1 10 CYS HB3 H -0.598 -7.234 0.453 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xy9 1
5 . 784 . 1 1 10 CYS N N -1.547 -4.856 -0.921 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xy9 1
5 . 785 . 1 1 10 CYS O O -4.099 -7.144 -0.200 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xy9 1
6 . 786 . 1 1 1 CYS C C 2.138 -5.692 3.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xy9 1
6 . 787 . 1 1 1 CYS CA C 2.248 -7.193 3.478 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xy9 1
6 . 788 . 1 1 1 CYS CB C 1.225 -7.663 4.513 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xy9 1
6 . 789 . 1 1 1 CYS H1 H 4.272 -7.007 3.271 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xy9 1
6 . 790 . 1 1 1 CYS H2 H 3.750 -7.142 4.864 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xy9 1
6 . 791 . 1 1 1 CYS HA H 2.077 -7.766 2.568 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xy9 1
6 . 792 . 1 1 1 CYS HB2 H 1.620 -8.544 5.021 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xy9 1
6 . 793 . 1 1 1 CYS HB3 H 1.108 -6.885 5.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xy9 1
6 . 794 . 1 1 1 CYS N N 3.609 -7.481 3.901 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xy9 1
6 . 795 . 1 1 1 CYS O O 1.398 -4.986 3.887 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xy9 1
6 . 796 . 1 1 1 CYS SG S -0.424 -8.070 3.832 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xy9 1
6 . 797 . 1 1 2 LYS C C 3.856 -3.624 0.675 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xy9 1
6 . 798 . 1 1 2 LYS CA C 2.879 -3.844 1.832 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xy9 1
6 . 799 . 1 1 2 LYS CB C 3.162 -2.965 3.051 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xy9 1
6 . 800 . 1 1 2 LYS CD C 4.521 -1.113 2.009 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xy9 1
6 . 801 . 1 1 2 LYS CE C 5.522 -0.047 2.457 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xy9 1
6 . 802 . 1 1 2 LYS CG C 4.546 -2.318 2.952 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xy9 1
6 . 803 . 1 1 2 LYS H H 3.483 -5.829 1.653 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xy9 1
6 . 804 . 1 1 2 LYS HA H 1.874 -3.603 1.486 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xy9 1
6 . 805 . 1 1 2 LYS HB2 H 2.400 -2.191 3.131 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xy9 1
6 . 806 . 1 1 2 LYS HB3 H 3.103 -3.565 3.958 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xy9 1
6 . 807 . 1 1 2 LYS HD2 H 4.755 -1.436 0.995 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xy9 1
6 . 808 . 1 1 2 LYS HD3 H 3.519 -0.687 1.983 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xy9 1
6 . 809 . 1 1 2 LYS HE2 H 5.257 0.915 2.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xy9 1
6 . 810 . 1 1 2 LYS HE3 H 5.477 0.071 3.539 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xy9 1
6 . 811 . 1 1 2 LYS HG2 H 4.875 -2.004 3.942 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xy9 1
6 . 812 . 1 1 2 LYS HG3 H 5.268 -3.050 2.593 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xy9 1
6 . 813 . 1 1 2 LYS HZ1 H 7.598 0.040 2.614 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xy9 1
6 . 814 . 1 1 2 LYS HZ2 H 7.057 -1.419 2.137 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xy9 1
6 . 815 . 1 1 2 LYS N N 2.884 -5.249 2.203 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xy9 1
6 . 816 . 1 1 2 LYS NZ N 6.895 -0.423 2.050 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xy9 1
6 . 817 . 1 1 2 LYS O O 4.977 -4.129 0.700 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xy9 1
6 . 818 . 1 1 3 PHE C C 4.811 -1.172 -1.386 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xy9 1
6 . 819 . 1 1 3 PHE CA C 4.212 -2.578 -1.476 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xy9 1
6 . 820 . 1 1 3 PHE CB C 3.294 -2.650 -2.698 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xy9 1
6 . 821 . 1 1 3 PHE CD1 C 3.547 -5.105 -3.119 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xy9 1
6 . 822 . 1 1 3 PHE CD2 C 3.852 -3.632 -4.933 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xy9 1
6 . 823 . 1 1 3 PHE CE1 C 3.808 -6.211 -3.973 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xy9 1
6 . 824 . 1 1 3 PHE CE2 C 4.112 -4.738 -5.787 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xy9 1
6 . 825 . 1 1 3 PHE CG C 3.576 -3.840 -3.618 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xy9 1
6 . 826 . 1 1 3 PHE CZ C 4.085 -6.002 -5.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xy9 1
6 . 827 . 1 1 3 PHE H H 2.481 -2.464 -0.324 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xy9 1
6 . 828 . 1 1 3 PHE HA H 5.017 -3.313 -1.499 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xy9 1
6 . 829 . 1 1 3 PHE HB2 H 2.259 -2.702 -2.360 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xy9 1
6 . 830 . 1 1 3 PHE HB3 H 3.396 -1.730 -3.273 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xy9 1
6 . 831 . 1 1 3 PHE HD1 H 3.326 -5.271 -2.066 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xy9 1
6 . 832 . 1 1 3 PHE HD2 H 3.874 -2.618 -5.332 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xy9 1
6 . 833 . 1 1 3 PHE HE1 H 3.787 -7.225 -3.573 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xy9 1
6 . 834 . 1 1 3 PHE HE2 H 4.334 -4.572 -6.841 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xy9 1
6 . 835 . 1 1 3 PHE HZ H 4.284 -6.851 -5.944 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xy9 1
6 . 836 . 1 1 3 PHE N N 3.393 -2.871 -0.313 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xy9 1
6 . 837 . 1 1 3 PHE O O 6.031 -1.014 -1.368 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xy9 1
6 . 838 . 1 1 4 ALA C C 3.125 2.092 -1.047 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA C . . rr_1xy9 1
6 . 839 . 1 1 4 ALA CA C 4.351 1.199 -1.246 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CA . . rr_1xy9 1
6 . 840 . 1 1 4 ALA CB C 5.148 1.568 -2.499 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CB . . rr_1xy9 1
6 . 841 . 1 1 4 ALA H H 2.935 -0.326 -1.349 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA H . . rr_1xy9 1
6 . 842 . 1 1 4 ALA HA H 5.003 1.292 -0.376 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HA . . rr_1xy9 1
6 . 843 . 1 1 4 ALA HB1 H 5.479 2.604 -2.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB1 . . rr_1xy9 1
6 . 844 . 1 1 4 ALA HB2 H 6.015 0.914 -2.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB2 . . rr_1xy9 1
6 . 845 . 1 1 4 ALA HB3 H 4.514 1.451 -3.378 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB3 . . rr_1xy9 1
6 . 846 . 1 1 4 ALA N N 3.925 -0.188 -1.332 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA N . . rr_1xy9 1
6 . 847 . 1 1 4 ALA O O 2.598 2.651 -2.008 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA O . . rr_1xy9 1
6 . 848 . 1 1 5 DTR C C 0.808 2.333 1.688 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xy9 1
6 . 849 . 1 1 5 DTR CA C 1.552 3.016 0.540 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xy9 1
6 . 850 . 1 1 5 DTR CB C 2.096 4.397 0.915 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xy9 1
6 . 851 . 1 1 5 DTR CD1 C 3.603 5.652 -0.762 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xy9 1
6 . 852 . 1 1 5 DTR CD2 C 4.709 4.195 0.486 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xy9 1
6 . 853 . 1 1 5 DTR CE2 C 5.622 4.789 -0.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xy9 1
6 . 854 . 1 1 5 DTR CE3 C 5.101 3.213 1.414 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xy9 1
6 . 855 . 1 1 5 DTR CG C 3.408 4.758 0.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xy9 1
6 . 856 . 1 1 5 DTR CH2 C 7.400 3.496 0.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xy9 1
6 . 857 . 1 1 5 DTR CZ2 C 6.986 4.471 -0.362 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xy9 1
6 . 858 . 1 1 5 DTR CZ3 C 6.467 2.906 1.398 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xy9 1
6 . 859 . 1 1 5 DTR H H 3.140 1.742 0.981 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xy9 1
6 . 860 . 1 1 5 DTR HA H 0.927 3.043 -0.351 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xy9 1
6 . 861 . 1 1 5 DTR HB2 H 1.345 5.149 0.670 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xy9 1
6 . 862 . 1 1 5 DTR HB3 H 2.246 4.436 1.993 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xy9 1
6 . 863 . 1 1 5 DTR HD1 H 2.814 6.261 -1.203 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xy9 1
6 . 864 . 1 1 5 DTR HE1 H 5.353 6.345 -1.915 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xy9 1
6 . 865 . 1 1 5 DTR HE3 H 4.396 2.729 2.092 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xy9 1
6 . 866 . 1 1 5 DTR HH2 H 8.448 3.202 0.603 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xy9 1
6 . 867 . 1 1 5 DTR HZ2 H 7.688 4.956 -1.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xy9 1
6 . 868 . 1 1 5 DTR HZ3 H 6.824 2.150 2.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xy9 1
6 . 869 . 1 1 5 DTR N N 2.705 2.199 0.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xy9 1
6 . 870 . 1 1 5 DTR NE1 N 4.929 5.704 -1.143 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xy9 1
6 . 871 . 1 1 5 DTR O O 1.423 1.907 2.667 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xy9 1
6 . 872 . 1 1 6 IAM C C -2.709 1.251 1.974 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xy9 1
6 . 873 . 1 1 6 IAM CA C -1.340 1.624 2.546 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xy9 1
6 . 874 . 1 1 6 IAM CB C -1.530 2.650 3.666 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xy9 1
6 . 875 . 1 1 6 IAM CD1 C -3.780 3.728 3.873 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xy9 1
6 . 876 . 1 1 6 IAM CD2 C -2.176 4.766 2.496 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xy9 1
6 . 877 . 1 1 6 IAM CE1 C -4.712 4.755 3.564 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xy9 1
6 . 878 . 1 1 6 IAM CE2 C -3.108 5.795 2.187 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xy9 1
6 . 879 . 1 1 6 IAM CG C -2.533 3.755 3.332 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xy9 1
6 . 880 . 1 1 6 IAM CI C -5.259 7.837 0.019 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xy9 1
6 . 881 . 1 1 6 IAM CK1 C -6.777 8.097 0.023 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xy9 1
6 . 882 . 1 1 6 IAM CK2 C -4.969 6.486 -0.657 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xy9 1
6 . 883 . 1 1 6 IAM CT C -5.363 6.880 2.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xy9 1
6 . 884 . 1 1 6 IAM CZ C -4.355 5.766 2.727 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xy9 1
6 . 885 . 1 1 6 IAM H H -0.998 2.595 0.735 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xy9 1
6 . 886 . 1 1 6 IAM HA H -0.828 0.719 2.873 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xy9 1
6 . 887 . 1 1 6 IAM HB H -0.568 3.104 3.895 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xy9 1
6 . 888 . 1 1 6 IAM HB1 H -1.862 2.132 4.564 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xy9 1
6 . 889 . 1 1 6 IAM HD1 H -4.066 2.916 4.542 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xy9 1
6 . 890 . 1 1 6 IAM HD2 H -1.176 4.789 2.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xy9 1
6 . 891 . 1 1 6 IAM HE1 H -5.711 4.734 3.999 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xy9 1
6 . 892 . 1 1 6 IAM HE2 H -2.821 6.606 1.518 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xy9 1
6 . 893 . 1 1 6 IAM HH H -3.996 8.437 1.699 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xy9 1
6 . 894 . 1 1 6 IAM HI H -4.766 8.619 -0.518 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xy9 1
6 . 895 . 1 1 6 IAM HK11 H -7.272 7.314 0.562 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xy9 1
6 . 896 . 1 1 6 IAM HK12 H -6.978 9.035 0.494 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xy9 1
6 . 897 . 1 1 6 IAM HK13 H -7.137 8.117 -0.985 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xy9 1
6 . 898 . 1 1 6 IAM HK21 H -3.915 6.307 -0.658 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xy9 1
6 . 899 . 1 1 6 IAM HK22 H -5.462 5.702 -0.119 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xy9 1
6 . 900 . 1 1 6 IAM HK23 H -5.328 6.506 -1.664 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xy9 1
6 . 901 . 1 1 6 IAM HT1 H -5.611 7.415 3.287 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xy9 1
6 . 902 . 1 1 6 IAM HT2 H -6.250 6.449 1.977 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xy9 1
6 . 903 . 1 1 6 IAM N N -0.504 2.248 1.534 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xy9 1
6 . 904 . 1 1 6 IAM NH N -4.761 7.809 1.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xy9 1
6 . 905 . 1 1 6 IAM O O -3.206 0.152 2.208 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xy9 1
6 . 906 . 1 1 7 THR C C -4.583 0.687 -0.193 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xy9 1
6 . 907 . 1 1 7 THR CA C -4.584 1.978 0.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xy9 1
6 . 908 . 1 1 7 THR CB C -4.935 3.221 -0.191 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xy9 1
6 . 909 . 1 1 7 THR CG2 C -6.300 3.106 -0.873 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xy9 1
6 . 910 . 1 1 7 THR H H -2.871 3.085 1.051 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xy9 1
6 . 911 . 1 1 7 THR HA H -5.318 1.849 1.427 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xy9 1
6 . 912 . 1 1 7 THR HB H -4.154 3.440 -0.918 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xy9 1
6 . 913 . 1 1 7 THR HG1 H -5.814 3.959 1.448 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xy9 1
6 . 914 . 1 1 7 THR HG21 H -6.729 4.101 -0.996 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xy9 1
6 . 915 . 1 1 7 THR HG22 H -6.178 2.642 -1.852 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xy9 1
6 . 916 . 1 1 7 THR HG23 H -6.963 2.496 -0.259 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xy9 1
6 . 917 . 1 1 7 THR N N -3.282 2.191 1.236 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xy9 1
6 . 918 . 1 1 7 THR O O -4.572 -0.411 0.365 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xy9 1
6 . 919 . 1 1 7 THR OG1 O -5.120 4.241 0.786 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xy9 1
6 . 920 . 1 1 8 THR C C -3.758 -1.427 -1.849 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xy9 1
6 . 921 . 1 1 8 THR CA C -4.597 -0.277 -2.412 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xy9 1
6 . 922 . 1 1 8 THR CB C -3.925 0.209 -3.730 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xy9 1
6 . 923 . 1 1 8 THR H H -4.605 1.756 -1.953 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xy9 1
6 . 924 . 1 1 8 THR HA H -5.610 -0.666 -2.624 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xy9 1
6 . 925 . 1 1 8 THR N N -4.596 0.862 -1.507 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xy9 1
6 . 926 . 1 1 8 THR O O -4.271 -2.272 -1.116 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xy9 1
6 . 927 . 1 1 9 SER C C -2.252 -3.822 -1.787 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xy9 1
6 . 928 . 1 1 9 SER CA C -1.571 -2.452 -1.754 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xy9 1
6 . 929 . 1 1 9 SER CB C -1.071 -2.056 -0.362 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xy9 1
6 . 930 . 1 1 9 SER H H -2.076 -0.728 -2.807 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xy9 1
6 . 931 . 1 1 9 SER HA H -0.727 -2.496 -2.443 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xy9 1
6 . 932 . 1 1 9 SER N N -2.484 -1.420 -2.212 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xy9 1
6 . 933 . 1 1 9 SER O O -3.272 -3.994 -2.451 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xy9 1
6 . 934 . 1 1 10 CYS C C -3.233 -6.208 0.115 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xy9 1
6 . 935 . 1 1 10 CYS CA C -2.195 -6.109 -1.003 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xy9 1
6 . 936 . 1 1 10 CYS CB C -1.052 -7.137 -0.813 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xy9 1
6 . 937 . 1 1 10 CYS H H -0.828 -4.610 -0.527 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xy9 1
6 . 938 . 1 1 10 CYS HA H -2.718 -6.339 -1.949 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xy9 1
6 . 939 . 1 1 10 CYS HB2 H -0.133 -6.770 -1.312 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xy9 1
6 . 940 . 1 1 10 CYS HB3 H -0.776 -7.235 0.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xy9 1
6 . 941 . 1 1 10 CYS N N -1.658 -4.759 -1.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xy9 1
6 . 942 . 1 1 10 CYS O O -4.345 -6.690 -0.106 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xy9 1
7 . 943 . 1 1 1 CYS C C 3.427 -5.338 2.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xy9 1
7 . 944 . 1 1 1 CYS CA C 3.910 -6.164 3.410 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xy9 1
7 . 945 . 1 1 1 CYS CB C 3.438 -5.574 4.741 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xy9 1
7 . 946 . 1 1 1 CYS H1 H 5.643 -7.243 3.341 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xy9 1
7 . 947 . 1 1 1 CYS H2 H 5.694 -5.796 2.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xy9 1
7 . 948 . 1 1 1 CYS HA H 3.530 -7.183 3.354 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xy9 1
7 . 949 . 1 1 1 CYS HB2 H 4.162 -5.833 5.515 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xy9 1
7 . 950 . 1 1 1 CYS HB3 H 3.434 -4.486 4.661 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xy9 1
7 . 951 . 1 1 1 CYS N N 5.359 -6.253 3.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xy9 1
7 . 952 . 1 1 1 CYS O O 2.872 -4.254 2.391 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xy9 1
7 . 953 . 1 1 1 CYS SG S 1.779 -6.127 5.282 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xy9 1
7 . 954 . 1 1 2 LYS C C 4.200 -4.046 -0.468 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xy9 1
7 . 955 . 1 1 2 LYS CA C 3.247 -5.211 -0.192 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xy9 1
7 . 956 . 1 1 2 LYS CB C 1.776 -4.797 -0.112 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xy9 1
7 . 957 . 1 1 2 LYS CD C 1.289 -5.303 -2.534 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xy9 1
7 . 958 . 1 1 2 LYS CE C 0.862 -3.885 -2.914 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xy9 1
7 . 959 . 1 1 2 LYS CG C 0.922 -5.615 -1.082 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xy9 1
7 . 960 . 1 1 2 LYS H H 4.103 -6.766 0.898 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xy9 1
7 . 961 . 1 1 2 LYS HA H 3.334 -5.931 -1.005 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xy9 1
7 . 962 . 1 1 2 LYS HB2 H 1.409 -4.935 0.906 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xy9 1
7 . 963 . 1 1 2 LYS HB3 H 1.679 -3.736 -0.342 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xy9 1
7 . 964 . 1 1 2 LYS HD2 H 2.365 -5.413 -2.671 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xy9 1
7 . 965 . 1 1 2 LYS HD3 H 0.809 -6.021 -3.198 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xy9 1
7 . 966 . 1 1 2 LYS HE2 H 0.671 -3.302 -2.013 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xy9 1
7 . 967 . 1 1 2 LYS HE3 H 1.672 -3.386 -3.448 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xy9 1
7 . 968 . 1 1 2 LYS HG2 H 1.061 -6.678 -0.887 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xy9 1
7 . 969 . 1 1 2 LYS HG3 H -0.133 -5.396 -0.915 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xy9 1
7 . 970 . 1 1 2 LYS HZ1 H -0.452 -3.073 -4.312 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xy9 1
7 . 971 . 1 1 2 LYS HZ2 H -0.339 -4.694 -4.410 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xy9 1
7 . 972 . 1 1 2 LYS N N 3.652 -5.884 1.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xy9 1
7 . 973 . 1 1 2 LYS NZ N -0.351 -3.918 -3.760 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xy9 1
7 . 974 . 1 1 2 LYS O O 4.994 -3.673 0.392 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xy9 1
7 . 975 . 1 1 3 PHE C C 5.096 -1.390 -0.928 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xy9 1
7 . 976 . 1 1 3 PHE CA C 4.928 -2.390 -2.072 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xy9 1
7 . 977 . 1 1 3 PHE CB C 4.226 -1.698 -3.242 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xy9 1
7 . 978 . 1 1 3 PHE CD1 C 6.154 -0.931 -4.644 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xy9 1
7 . 979 . 1 1 3 PHE CD2 C 4.632 -2.458 -5.592 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xy9 1
7 . 980 . 1 1 3 PHE CE1 C 6.904 -0.928 -5.851 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xy9 1
7 . 981 . 1 1 3 PHE CE2 C 5.382 -2.458 -6.798 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xy9 1
7 . 982 . 1 1 3 PHE CG C 5.034 -1.696 -4.542 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xy9 1
7 . 983 . 1 1 3 PHE CZ C 6.502 -1.692 -6.902 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xy9 1
7 . 984 . 1 1 3 PHE H H 3.437 -3.815 -2.366 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xy9 1
7 . 985 . 1 1 3 PHE HA H 5.903 -2.801 -2.339 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xy9 1
7 . 986 . 1 1 3 PHE HB2 H 3.270 -2.189 -3.421 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xy9 1
7 . 987 . 1 1 3 PHE HB3 H 4.007 -0.667 -2.962 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xy9 1
7 . 988 . 1 1 3 PHE HD1 H 6.475 -0.319 -3.800 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xy9 1
7 . 989 . 1 1 3 PHE HD2 H 3.735 -3.072 -5.509 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xy9 1
7 . 990 . 1 1 3 PHE HE1 H 7.801 -0.315 -5.934 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xy9 1
7 . 991 . 1 1 3 PHE HE2 H 5.061 -3.070 -7.641 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xy9 1
7 . 992 . 1 1 3 PHE HZ H 7.076 -1.690 -7.827 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xy9 1
7 . 993 . 1 1 3 PHE N N 4.087 -3.505 -1.673 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xy9 1
7 . 994 . 1 1 3 PHE O O 6.164 -1.305 -0.326 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xy9 1
7 . 995 . 1 1 4 ALA C C 2.852 1.283 0.221 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA C . . rr_1xy9 1
7 . 996 . 1 1 4 ALA CA C 4.038 0.333 0.399 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CA . . rr_1xy9 1
7 . 997 . 1 1 4 ALA CB C 5.380 1.068 0.393 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CB . . rr_1xy9 1
7 . 998 . 1 1 4 ALA H H 3.159 -0.733 -1.157 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA H . . rr_1xy9 1
7 . 999 . 1 1 4 ALA HA H 3.932 -0.192 1.348 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HA . . rr_1xy9 1
7 . 1000 . 1 1 4 ALA HB1 H 5.396 1.802 1.198 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB1 . . rr_1xy9 1
7 . 1001 . 1 1 4 ALA HB2 H 6.189 0.352 0.539 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB2 . . rr_1xy9 1
7 . 1002 . 1 1 4 ALA HB3 H 5.511 1.577 -0.563 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB3 . . rr_1xy9 1
7 . 1003 . 1 1 4 ALA N N 4.023 -0.659 -0.662 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA N . . rr_1xy9 1
7 . 1004 . 1 1 4 ALA O O 2.742 1.960 -0.801 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA O . . rr_1xy9 1
7 . 1005 . 1 1 5 DTR C C -0.248 1.530 2.092 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xy9 1
7 . 1006 . 1 1 5 DTR CA C 0.820 2.160 1.197 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xy9 1
7 . 1007 . 1 1 5 DTR CB C 1.277 3.537 1.686 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xy9 1
7 . 1008 . 1 1 5 DTR CD1 C 3.664 4.455 1.338 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xy9 1
7 . 1009 . 1 1 5 DTR CD2 C 3.555 2.867 2.879 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xy9 1
7 . 1010 . 1 1 5 DTR CE2 C 4.872 3.267 2.792 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xy9 1
7 . 1011 . 1 1 5 DTR CE3 C 3.151 1.862 3.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xy9 1
7 . 1012 . 1 1 5 DTR CG C 2.783 3.640 1.935 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xy9 1
7 . 1013 . 1 1 5 DTR CH2 C 5.517 1.714 4.476 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xy9 1
7 . 1014 . 1 1 5 DTR CZ2 C 5.894 2.716 3.574 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xy9 1
7 . 1015 . 1 1 5 DTR CZ3 C 4.185 1.322 4.551 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xy9 1
7 . 1016 . 1 1 5 DTR H H 2.092 0.751 2.058 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xy9 1
7 . 1017 . 1 1 5 DTR HA H 0.482 2.178 0.162 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xy9 1
7 . 1018 . 1 1 5 DTR HB2 H 0.989 4.287 0.950 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xy9 1
7 . 1019 . 1 1 5 DTR HB3 H 0.750 3.776 2.609 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xy9 1
7 . 1020 . 1 1 5 DTR HD1 H 3.405 5.178 0.563 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xy9 1
7 . 1021 . 1 1 5 DTR HE1 H 5.839 4.796 1.509 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xy9 1
7 . 1022 . 1 1 5 DTR HE3 H 2.116 1.531 3.861 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xy9 1
7 . 1023 . 1 1 5 DTR HH2 H 6.263 1.243 5.115 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xy9 1
7 . 1024 . 1 1 5 DTR HZ2 H 6.928 3.050 3.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xy9 1
7 . 1025 . 1 1 5 DTR HZ3 H 3.928 0.538 5.262 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xy9 1
7 . 1026 . 1 1 5 DTR N N 1.995 1.304 1.231 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xy9 1
7 . 1027 . 1 1 5 DTR NE1 N 4.941 4.264 1.825 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xy9 1
7 . 1028 . 1 1 5 DTR O O 0.065 0.981 3.147 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xy9 1
7 . 1029 . 1 1 6 IAM C C -3.798 0.804 1.465 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xy9 1
7 . 1030 . 1 1 6 IAM CA C -2.607 1.078 2.386 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xy9 1
7 . 1031 . 1 1 6 IAM CB C -3.011 2.125 3.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xy9 1
7 . 1032 . 1 1 6 IAM CD1 C -5.115 3.438 3.078 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xy9 1
7 . 1033 . 1 1 6 IAM CD2 C -3.131 4.244 2.096 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xy9 1
7 . 1034 . 1 1 6 IAM CE1 C -5.828 4.543 2.539 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xy9 1
7 . 1035 . 1 1 6 IAM CE2 C -3.844 5.348 1.558 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xy9 1
7 . 1036 . 1 1 6 IAM CG C -3.780 3.314 2.845 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xy9 1
7 . 1037 . 1 1 6 IAM CI C -5.177 8.929 2.133 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xy9 1
7 . 1038 . 1 1 6 IAM CK1 C -3.831 9.669 2.252 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xy9 1
7 . 1039 . 1 1 6 IAM CK2 C -5.557 8.330 3.498 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xy9 1
7 . 1040 . 1 1 6 IAM CT C -5.951 6.669 1.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xy9 1
7 . 1041 . 1 1 6 IAM CZ C -5.178 5.472 1.789 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xy9 1
7 . 1042 . 1 1 6 IAM H H -1.736 2.080 0.779 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xy9 1
7 . 1043 . 1 1 6 IAM HA H -2.269 0.141 2.827 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xy9 1
7 . 1044 . 1 1 6 IAM HB H -2.115 2.494 3.922 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xy9 1
7 . 1045 . 1 1 6 IAM HB1 H -3.624 1.647 4.187 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xy9 1
7 . 1046 . 1 1 6 IAM HD1 H -5.635 2.693 3.676 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xy9 1
7 . 1047 . 1 1 6 IAM HD2 H -2.062 4.144 1.909 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xy9 1
7 . 1048 . 1 1 6 IAM HE1 H -6.898 4.644 2.727 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xy9 1
7 . 1049 . 1 1 6 IAM HE2 H -3.323 6.095 0.958 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xy9 1
7 . 1050 . 1 1 6 IAM HH H -4.348 7.905 0.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xy9 1
7 . 1051 . 1 1 6 IAM HI H -5.935 9.617 1.821 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xy9 1
7 . 1052 . 1 1 6 IAM HK11 H -3.071 8.980 2.563 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xy9 1
7 . 1053 . 1 1 6 IAM HK12 H -3.568 10.084 1.302 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xy9 1
7 . 1054 . 1 1 6 IAM HK13 H -3.918 10.454 2.973 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xy9 1
7 . 1055 . 1 1 6 IAM HK21 H -6.492 7.815 3.415 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xy9 1
7 . 1056 . 1 1 6 IAM HK22 H -4.800 7.642 3.811 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xy9 1
7 . 1057 . 1 1 6 IAM HK23 H -5.644 9.113 4.221 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xy9 1
7 . 1058 . 1 1 6 IAM HT1 H -6.787 6.894 1.838 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xy9 1
7 . 1059 . 1 1 6 IAM HT2 H -6.301 6.426 0.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xy9 1
7 . 1060 . 1 1 6 IAM N N -1.489 1.630 1.639 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xy9 1
7 . 1061 . 1 1 6 IAM NH N -5.056 7.843 1.135 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xy9 1
7 . 1062 . 1 1 6 IAM O O -4.418 -0.256 1.545 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xy9 1
7 . 1063 . 1 1 7 THR C C -4.856 0.632 -1.412 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xy9 1
7 . 1064 . 1 1 7 THR CA C -5.190 1.653 -0.322 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xy9 1
7 . 1065 . 1 1 7 THR CB C -5.503 3.046 -0.872 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xy9 1
7 . 1066 . 1 1 7 THR CG2 C -6.513 3.010 -2.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xy9 1
7 . 1067 . 1 1 7 THR H H -3.574 2.636 0.553 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xy9 1
7 . 1068 . 1 1 7 THR HA H -6.057 1.272 0.219 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xy9 1
7 . 1069 . 1 1 7 THR HB H -4.590 3.560 -1.174 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xy9 1
7 . 1070 . 1 1 7 THR HG1 H -7.003 3.145 0.449 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xy9 1
7 . 1071 . 1 1 7 THR HG21 H -7.076 3.943 -2.038 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xy9 1
7 . 1072 . 1 1 7 THR HG22 H -5.986 2.886 -2.965 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xy9 1
7 . 1073 . 1 1 7 THR HG23 H -7.200 2.175 -1.874 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xy9 1
7 . 1074 . 1 1 7 THR N N -4.083 1.777 0.612 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xy9 1
7 . 1075 . 1 1 7 THR O O -4.905 -0.574 -1.173 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xy9 1
7 . 1076 . 1 1 7 THR OG1 O -6.205 3.689 0.189 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xy9 1
7 . 1077 . 1 1 8 THR C C -3.392 -0.926 -3.251 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xy9 1
7 . 1078 . 1 1 8 THR CA C -4.183 0.301 -3.711 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xy9 1
7 . 1079 . 1 1 8 THR CB C -3.265 1.146 -4.641 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xy9 1
7 . 1080 . 1 1 8 THR H H -4.487 2.134 -2.769 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xy9 1
7 . 1081 . 1 1 8 THR HA H -5.067 -0.057 -4.272 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xy9 1
7 . 1082 . 1 1 8 THR N N -4.525 1.152 -2.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xy9 1
7 . 1083 . 1 1 8 THR O O -3.483 -1.991 -3.858 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xy9 1
7 . 1084 . 1 1 9 SER C C -2.721 -2.905 -1.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xy9 1
7 . 1085 . 1 1 9 SER CA C -1.824 -1.810 -1.636 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xy9 1
7 . 1086 . 1 1 9 SER CB C -0.861 -1.206 -0.611 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xy9 1
7 . 1087 . 1 1 9 SER H H -2.562 0.136 -1.696 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xy9 1
7 . 1088 . 1 1 9 SER HA H -1.254 -2.261 -2.449 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xy9 1
7 . 1089 . 1 1 9 SER N N -2.632 -0.734 -2.184 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xy9 1
7 . 1090 . 1 1 9 SER O O -3.932 -2.900 -1.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xy9 1
7 . 1091 . 1 1 10 CYS C C -2.796 -4.774 1.806 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xy9 1
7 . 1092 . 1 1 10 CYS CA C -2.816 -4.918 0.284 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xy9 1
7 . 1093 . 1 1 10 CYS CB C -2.221 -6.277 -0.167 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xy9 1
7 . 1094 . 1 1 10 CYS H H -1.105 -3.816 -0.161 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xy9 1
7 . 1095 . 1 1 10 CYS HA H -3.876 -4.880 -0.029 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xy9 1
7 . 1096 . 1 1 10 CYS HB2 H -1.944 -6.225 -1.239 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xy9 1
7 . 1097 . 1 1 10 CYS HB3 H -1.273 -6.494 0.362 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xy9 1
7 . 1098 . 1 1 10 CYS N N -2.091 -3.819 -0.329 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xy9 1
7 . 1099 . 1 1 10 CYS O O -3.839 -4.845 2.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xy9 1
8 . 1100 . 1 1 1 CYS C C 2.701 -5.564 2.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xy9 1
8 . 1101 . 1 1 1 CYS CA C 3.239 -5.793 4.117 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xy9 1
8 . 1102 . 1 1 1 CYS CB C 2.169 -6.364 5.051 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xy9 1
8 . 1103 . 1 1 1 CYS H1 H 3.569 -3.786 3.937 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xy9 1
8 . 1104 . 1 1 1 CYS H2 H 3.330 -4.310 5.518 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xy9 1
8 . 1105 . 1 1 1 CYS HA H 4.068 -6.499 4.106 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xy9 1
8 . 1106 . 1 1 1 CYS HB2 H 2.632 -6.606 6.007 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xy9 1
8 . 1107 . 1 1 1 CYS HB3 H 1.425 -5.589 5.245 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xy9 1
8 . 1108 . 1 1 1 CYS N N 3.770 -4.536 4.614 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xy9 1
8 . 1109 . 1 1 1 CYS O O 1.578 -5.957 2.392 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xy9 1
8 . 1110 . 1 1 1 CYS SG S 1.313 -7.853 4.420 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xy9 1
8 . 1111 . 1 1 2 LYS C C 4.114 -3.606 -0.071 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xy9 1
8 . 1112 . 1 1 2 LYS CA C 3.147 -4.638 0.515 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xy9 1
8 . 1113 . 1 1 2 LYS CB C 1.677 -4.216 0.442 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xy9 1
8 . 1114 . 1 1 2 LYS CD C 1.202 -5.462 -1.698 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xy9 1
8 . 1115 . 1 1 2 LYS CE C 0.840 -4.209 -2.498 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xy9 1
8 . 1116 . 1 1 2 LYS CG C 0.827 -5.299 -0.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xy9 1
8 . 1117 . 1 1 2 LYS H H 4.437 -4.610 2.149 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xy9 1
8 . 1118 . 1 1 2 LYS HA H 3.244 -5.563 -0.052 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xy9 1
8 . 1119 . 1 1 2 LYS HB2 H 1.302 -4.018 1.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xy9 1
8 . 1120 . 1 1 2 LYS HB3 H 1.590 -3.285 -0.118 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xy9 1
8 . 1121 . 1 1 2 LYS HD2 H 2.271 -5.658 -1.786 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xy9 1
8 . 1122 . 1 1 2 LYS HD3 H 0.686 -6.327 -2.116 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xy9 1
8 . 1123 . 1 1 2 LYS HE2 H 0.553 -3.408 -1.817 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xy9 1
8 . 1124 . 1 1 2 LYS HE3 H 1.711 -3.861 -3.053 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xy9 1
8 . 1125 . 1 1 2 LYS HG2 H 0.964 -6.247 0.298 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xy9 1
8 . 1126 . 1 1 2 LYS HG3 H -0.229 -5.040 -0.140 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xy9 1
8 . 1127 . 1 1 2 LYS HZ1 H -0.296 -3.836 -4.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xy9 1
8 . 1128 . 1 1 2 LYS HZ2 H -0.194 -5.421 -3.843 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xy9 1
8 . 1129 . 1 1 2 LYS N N 3.527 -4.926 1.888 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xy9 1
8 . 1130 . 1 1 2 LYS NZ N -0.270 -4.496 -3.434 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xy9 1
8 . 1131 . 1 1 2 LYS O O 4.936 -3.044 0.648 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xy9 1
8 . 1132 . 1 1 3 PHE C C 5.104 -1.212 -1.186 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xy9 1
8 . 1133 . 1 1 3 PHE CA C 4.829 -2.434 -2.061 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xy9 1
8 . 1134 . 1 1 3 PHE CB C 4.074 -1.990 -3.317 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xy9 1
8 . 1135 . 1 1 3 PHE CD1 C 5.895 -1.671 -5.006 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xy9 1
8 . 1136 . 1 1 3 PHE CD2 C 4.286 -3.345 -5.411 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xy9 1
8 . 1137 . 1 1 3 PHE CE1 C 6.548 -2.003 -6.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xy9 1
8 . 1138 . 1 1 3 PHE CE2 C 4.940 -3.677 -6.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xy9 1
8 . 1139 . 1 1 3 PHE CG C 4.779 -2.349 -4.626 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xy9 1
8 . 1140 . 1 1 3 PHE CZ C 6.056 -2.999 -7.008 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xy9 1
8 . 1141 . 1 1 3 PHE H H 3.306 -3.851 -1.949 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xy9 1
8 . 1142 . 1 1 3 PHE HA H 5.770 -2.939 -2.283 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xy9 1
8 . 1143 . 1 1 3 PHE HB2 H 3.083 -2.444 -3.312 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xy9 1
8 . 1144 . 1 1 3 PHE HB3 H 3.929 -0.910 -3.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xy9 1
8 . 1145 . 1 1 3 PHE HD1 H 6.289 -0.874 -4.376 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xy9 1
8 . 1146 . 1 1 3 PHE HD2 H 3.391 -3.887 -5.106 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xy9 1
8 . 1147 . 1 1 3 PHE HE1 H 7.442 -1.460 -6.528 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xy9 1
8 . 1148 . 1 1 3 PHE HE2 H 4.545 -4.475 -7.258 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xy9 1
8 . 1149 . 1 1 3 PHE HZ H 6.557 -3.255 -7.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xy9 1
8 . 1150 . 1 1 3 PHE N N 3.978 -3.390 -1.371 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xy9 1
8 . 1151 . 1 1 3 PHE O O 6.249 -0.954 -0.816 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xy9 1
8 . 1152 . 1 1 4 ALA C C 2.883 1.548 -0.212 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA C . . rr_1xy9 1
8 . 1153 . 1 1 4 ALA CA C 4.148 0.701 -0.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CA . . rr_1xy9 1
8 . 1154 . 1 1 4 ALA CB C 5.416 1.470 -0.435 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CB . . rr_1xy9 1
8 . 1155 . 1 1 4 ALA H H 3.108 -0.706 -1.186 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA H . . rr_1xy9 1
8 . 1156 . 1 1 4 ALA HA H 4.233 0.379 0.984 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HA . . rr_1xy9 1
8 . 1157 . 1 1 4 ALA HB1 H 5.507 2.354 0.193 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB1 . . rr_1xy9 1
8 . 1158 . 1 1 4 ALA HB2 H 6.286 0.830 -0.292 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB2 . . rr_1xy9 1
8 . 1159 . 1 1 4 ALA HB3 H 5.354 1.773 -1.481 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB3 . . rr_1xy9 1
8 . 1160 . 1 1 4 ALA N N 4.036 -0.488 -0.881 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA N . . rr_1xy9 1
8 . 1161 . 1 1 4 ALA O O 2.435 1.797 -1.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA O . . rr_1xy9 1
8 . 1162 . 1 1 5 DTR C C 0.180 2.199 1.967 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xy9 1
8 . 1163 . 1 1 5 DTR CA C 1.139 2.777 0.925 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xy9 1
8 . 1164 . 1 1 5 DTR CB C 1.584 4.207 1.247 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xy9 1
8 . 1165 . 1 1 5 DTR CD1 C 3.958 4.615 2.171 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xy9 1
8 . 1166 . 1 1 5 DTR CD2 C 3.896 4.454 -0.038 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xy9 1
8 . 1167 . 1 1 5 DTR CE2 C 5.209 4.669 0.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xy9 1
8 . 1168 . 1 1 5 DTR CE3 C 3.519 4.308 -1.384 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xy9 1
8 . 1169 . 1 1 5 DTR CG C 3.096 4.421 1.164 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xy9 1
8 . 1170 . 1 1 5 DTR CH2 C 5.904 4.616 -1.952 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xy9 1
8 . 1171 . 1 1 5 DTR CZ2 C 6.255 4.758 -0.604 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xy9 1
8 . 1172 . 1 1 5 DTR CZ3 C 4.576 4.399 -2.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xy9 1
8 . 1173 . 1 1 5 DTR H H 2.713 1.756 1.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xy9 1
8 . 1174 . 1 1 5 DTR HA H 0.708 2.692 -0.072 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xy9 1
8 . 1175 . 1 1 5 DTR HB2 H 1.091 4.893 0.557 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xy9 1
8 . 1176 . 1 1 5 DTR HB3 H 1.246 4.463 2.250 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xy9 1
8 . 1177 . 1 1 5 DTR HD1 H 3.675 4.645 3.224 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xy9 1
8 . 1178 . 1 1 5 DTR HE1 H 6.137 4.941 2.319 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xy9 1
8 . 1179 . 1 1 5 DTR HE3 H 2.488 4.137 -1.692 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xy9 1
8 . 1180 . 1 1 5 DTR HH2 H 6.670 4.674 -2.726 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xy9 1
8 . 1181 . 1 1 5 DTR HZ2 H 7.285 4.930 -0.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xy9 1
8 . 1182 . 1 1 5 DTR HZ3 H 4.339 4.293 -3.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xy9 1
8 . 1183 . 1 1 5 DTR N N 2.343 1.964 0.922 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xy9 1
8 . 1184 . 1 1 5 DTR NE1 N 5.249 4.771 1.709 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xy9 1
8 . 1185 . 1 1 5 DTR O O 0.532 2.072 3.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xy9 1
8 . 1186 . 1 1 6 IAM C C -3.298 0.955 1.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xy9 1
8 . 1187 . 1 1 6 IAM CA C -2.028 1.303 2.379 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xy9 1
8 . 1188 . 1 1 6 IAM CB C -2.361 2.372 3.422 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xy9 1
8 . 1189 . 1 1 6 IAM CD1 C -2.683 4.473 2.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xy9 1
8 . 1190 . 1 1 6 IAM CD2 C -4.552 3.562 3.204 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xy9 1
8 . 1191 . 1 1 6 IAM CE1 C -3.491 5.531 1.602 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xy9 1
8 . 1192 . 1 1 6 IAM CE2 C -5.360 4.620 2.708 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xy9 1
8 . 1193 . 1 1 6 IAM CG C -3.231 3.511 2.888 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xy9 1
8 . 1194 . 1 1 6 IAM CI C -4.593 8.805 0.357 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xy9 1
8 . 1195 . 1 1 6 IAM CK1 C -5.603 9.683 -0.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xy9 1
8 . 1196 . 1 1 6 IAM CK2 C -3.192 8.986 -0.253 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xy9 1
8 . 1197 . 1 1 6 IAM CT C -5.689 6.727 1.380 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xy9 1
8 . 1198 . 1 1 6 IAM CZ C -4.812 5.582 1.920 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xy9 1
8 . 1199 . 1 1 6 IAM H H -1.294 1.969 0.548 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xy9 1
8 . 1200 . 1 1 6 IAM HA H -1.611 0.393 2.813 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xy9 1
8 . 1201 . 1 1 6 IAM HB H -1.432 2.790 3.809 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xy9 1
8 . 1202 . 1 1 6 IAM HB1 H -2.871 1.900 4.260 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xy9 1
8 . 1203 . 1 1 6 IAM HD1 H -1.623 4.432 1.846 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xy9 1
8 . 1204 . 1 1 6 IAM HD2 H -4.991 2.791 3.837 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xy9 1
8 . 1205 . 1 1 6 IAM HE1 H -3.052 6.301 0.968 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xy9 1
8 . 1206 . 1 1 6 IAM HE2 H -6.421 4.660 2.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xy9 1
8 . 1207 . 1 1 6 IAM HH H -4.794 6.854 -0.608 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xy9 1
8 . 1208 . 1 1 6 IAM HI H -4.573 9.093 1.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xy9 1
8 . 1209 . 1 1 6 IAM HK11 H -5.622 9.395 -1.433 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xy9 1
8 . 1210 . 1 1 6 IAM HK12 H -6.577 9.557 0.021 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xy9 1
8 . 1211 . 1 1 6 IAM HK13 H -5.311 10.710 -0.326 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xy9 1
8 . 1212 . 1 1 6 IAM HK21 H -2.490 8.374 0.276 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xy9 1
8 . 1213 . 1 1 6 IAM HK22 H -3.209 8.696 -1.283 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xy9 1
8 . 1214 . 1 1 6 IAM HK23 H -2.897 10.012 -0.176 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xy9 1
8 . 1215 . 1 1 6 IAM HT1 H -5.862 7.441 2.159 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xy9 1
8 . 1216 . 1 1 6 IAM HT2 H -6.625 6.333 1.042 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xy9 1
8 . 1217 . 1 1 6 IAM N N -1.014 1.864 1.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xy9 1
8 . 1218 . 1 1 6 IAM NH N -4.996 7.385 0.252 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xy9 1
8 . 1219 . 1 1 6 IAM O O -3.848 -0.135 1.755 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xy9 1
8 . 1220 . 1 1 7 THR C C -4.711 0.572 -1.029 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xy9 1
8 . 1221 . 1 1 7 THR CA C -4.921 1.708 -0.028 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xy9 1
8 . 1222 . 1 1 7 THR CB C -5.264 3.045 -0.690 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xy9 1
8 . 1223 . 1 1 7 THR CG2 C -6.348 2.905 -1.763 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xy9 1
8 . 1224 . 1 1 7 THR H H -3.272 2.784 0.655 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xy9 1
8 . 1225 . 1 1 7 THR HA H -5.735 1.409 0.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xy9 1
8 . 1226 . 1 1 7 THR HB H -4.371 3.518 -1.100 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xy9 1
8 . 1227 . 1 1 7 THR HG1 H -6.674 3.285 0.708 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xy9 1
8 . 1228 . 1 1 7 THR HG21 H -6.908 3.838 -1.836 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xy9 1
8 . 1229 . 1 1 7 THR HG22 H -5.882 2.684 -2.723 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xy9 1
8 . 1230 . 1 1 7 THR HG23 H -7.024 2.095 -1.490 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xy9 1
8 . 1231 . 1 1 7 THR N N -3.725 1.900 0.777 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xy9 1
8 . 1232 . 1 1 7 THR O O -4.796 -0.602 -0.667 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xy9 1
8 . 1233 . 1 1 7 THR OG1 O -5.895 3.794 0.346 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xy9 1
8 . 1234 . 1 1 8 THR C C -3.475 -1.242 -2.792 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xy9 1
8 . 1235 . 1 1 8 THR CA C -4.222 -0.017 -3.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xy9 1
8 . 1236 . 1 1 8 THR CB C -3.317 0.677 -4.382 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xy9 1
8 . 1237 . 1 1 8 THR H H -4.377 1.912 -2.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xy9 1
8 . 1238 . 1 1 8 THR HA H -5.158 -0.369 -3.796 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xy9 1
8 . 1239 . 1 1 8 THR N N -4.443 0.957 -2.267 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xy9 1
8 . 1240 . 1 1 8 THR O O -3.730 -2.365 -3.224 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xy9 1
8 . 1241 . 1 1 9 SER C C -2.697 -3.089 -0.617 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xy9 1
8 . 1242 . 1 1 9 SER CA C -1.781 -2.052 -1.267 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xy9 1
8 . 1243 . 1 1 9 SER CB C -0.789 -1.419 -0.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xy9 1
8 . 1244 . 1 1 9 SER H H -2.366 -0.067 -1.515 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xy9 1
8 . 1245 . 1 1 9 SER HA H -1.234 -2.560 -2.062 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xy9 1
8 . 1246 . 1 1 9 SER N N -2.568 -0.985 -1.862 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xy9 1
8 . 1247 . 1 1 9 SER O O -3.649 -2.735 0.077 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xy9 1
8 . 1248 . 1 1 10 CYS C C -3.309 -5.266 1.201 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xy9 1
8 . 1249 . 1 1 10 CYS CA C -3.160 -5.444 -0.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xy9 1
8 . 1250 . 1 1 10 CYS CB C -2.512 -6.806 -0.664 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xy9 1
8 . 1251 . 1 1 10 CYS H H -1.601 -4.631 -1.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xy9 1
8 . 1252 . 1 1 10 CYS HA H -4.180 -5.420 -0.738 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xy9 1
8 . 1253 . 1 1 10 CYS HB2 H -2.217 -6.813 -1.731 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xy9 1
8 . 1254 . 1 1 10 CYS HB3 H -1.567 -6.955 -0.107 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xy9 1
8 . 1255 . 1 1 10 CYS N N -2.377 -4.351 -0.864 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xy9 1
8 . 1256 . 1 1 10 CYS O O -4.422 -5.124 1.706 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xy9 1
9 . 1257 . 1 1 1 CYS C C 3.651 -4.711 2.778 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xy9 1
9 . 1258 . 1 1 1 CYS CA C 4.135 -5.291 4.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xy9 1
9 . 1259 . 1 1 1 CYS CB C 3.684 -4.443 5.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xy9 1
9 . 1260 . 1 1 1 CYS H1 H 5.990 -5.075 4.936 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xy9 1
9 . 1261 . 1 1 1 CYS H2 H 5.839 -6.400 3.913 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xy9 1
9 . 1262 . 1 1 1 CYS HA H 3.745 -6.296 4.258 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xy9 1
9 . 1263 . 1 1 1 CYS HB2 H 4.395 -4.580 6.114 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xy9 1
9 . 1264 . 1 1 1 CYS HB3 H 3.723 -3.391 5.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xy9 1
9 . 1265 . 1 1 1 CYS N N 5.582 -5.412 4.053 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xy9 1
9 . 1266 . 1 1 1 CYS O O 3.107 -3.608 2.739 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xy9 1
9 . 1267 . 1 1 1 CYS SG S 2.002 -4.819 5.916 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xy9 1
9 . 1268 . 1 1 2 LYS C C 4.368 -3.916 -0.077 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xy9 1
9 . 1269 . 1 1 2 LYS CA C 3.460 -5.054 0.391 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xy9 1
9 . 1270 . 1 1 2 LYS CB C 1.971 -4.701 0.375 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xy9 1
9 . 1271 . 1 1 2 LYS CD C 1.575 -5.621 -1.938 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xy9 1
9 . 1272 . 1 1 2 LYS CE C 1.143 -4.287 -2.549 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xy9 1
9 . 1273 . 1 1 2 LYS CG C 1.177 -5.703 -0.464 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xy9 1
9 . 1274 . 1 1 2 LYS H H 4.310 -6.373 1.760 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xy9 1
9 . 1275 . 1 1 2 LYS HA H 3.596 -5.903 -0.278 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xy9 1
9 . 1276 . 1 1 2 LYS HB2 H 1.586 -4.687 1.395 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xy9 1
9 . 1277 . 1 1 2 LYS HB3 H 1.837 -3.697 -0.027 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xy9 1
9 . 1278 . 1 1 2 LYS HD2 H 2.655 -5.737 -2.034 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xy9 1
9 . 1279 . 1 1 2 LYS HD3 H 1.117 -6.442 -2.490 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xy9 1
9 . 1280 . 1 1 2 LYS HE2 H 0.114 -4.069 -2.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xy9 1
9 . 1281 . 1 1 2 LYS HE3 H 1.762 -3.482 -2.152 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xy9 1
9 . 1282 . 1 1 2 LYS HG2 H 1.351 -6.712 -0.091 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xy9 1
9 . 1283 . 1 1 2 LYS HG3 H 0.110 -5.506 -0.360 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xy9 1
9 . 1284 . 1 1 2 LYS HZ1 H 1.339 -3.402 -4.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xy9 1
9 . 1285 . 1 1 2 LYS HZ2 H 2.082 -4.847 -4.324 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xy9 1
9 . 1286 . 1 1 2 LYS N N 3.867 -5.478 1.720 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xy9 1
9 . 1287 . 1 1 2 LYS NZ N 1.262 -4.330 -4.024 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xy9 1
9 . 1288 . 1 1 2 LYS O O 5.137 -3.368 0.710 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xy9 1
9 . 1289 . 1 1 3 PHE C C 5.214 -1.370 -0.958 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xy9 1
9 . 1290 . 1 1 3 PHE CA C 5.048 -2.532 -1.940 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xy9 1
9 . 1291 . 1 1 3 PHE CB C 4.300 -2.035 -3.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xy9 1
9 . 1292 . 1 1 3 PHE CD1 C 6.080 -1.340 -4.798 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xy9 1
9 . 1293 . 1 1 3 PHE CD2 C 4.766 -3.221 -5.334 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xy9 1
9 . 1294 . 1 1 3 PHE CE1 C 6.800 -1.497 -6.011 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xy9 1
9 . 1295 . 1 1 3 PHE CE2 C 5.486 -3.379 -6.547 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xy9 1
9 . 1296 . 1 1 3 PHE CG C 5.077 -2.205 -4.486 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xy9 1
9 . 1297 . 1 1 3 PHE CZ C 6.490 -2.513 -6.860 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xy9 1
9 . 1298 . 1 1 3 PHE H H 3.618 -4.045 -1.991 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xy9 1
9 . 1299 . 1 1 3 PHE HA H 6.027 -2.954 -2.170 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xy9 1
9 . 1300 . 1 1 3 PHE HB2 H 3.354 -2.573 -3.258 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xy9 1
9 . 1301 . 1 1 3 PHE HB3 H 4.058 -0.981 -3.047 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xy9 1
9 . 1302 . 1 1 3 PHE HD1 H 6.329 -0.526 -4.117 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xy9 1
9 . 1303 . 1 1 3 PHE HD2 H 3.962 -3.914 -5.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xy9 1
9 . 1304 . 1 1 3 PHE HE1 H 7.603 -0.803 -6.261 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xy9 1
9 . 1305 . 1 1 3 PHE HE2 H 5.238 -4.193 -7.228 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xy9 1
9 . 1306 . 1 1 3 PHE HZ H 7.043 -2.635 -7.790 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xy9 1
9 . 1307 . 1 1 3 PHE N N 4.248 -3.594 -1.357 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xy9 1
9 . 1308 . 1 1 3 PHE O O 6.300 -1.159 -0.419 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xy9 1
9 . 1309 . 1 1 4 ALA C C 2.914 1.369 -0.127 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA C . . rr_1xy9 1
9 . 1310 . 1 1 4 ALA CA C 4.134 0.489 0.149 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CA . . rr_1xy9 1
9 . 1311 . 1 1 4 ALA CB C 5.452 1.253 -0.004 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CB . . rr_1xy9 1
9 . 1312 . 1 1 4 ALA H H 3.245 -0.825 -1.200 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA H . . rr_1xy9 1
9 . 1313 . 1 1 4 ALA HA H 4.069 0.103 1.167 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HA . . rr_1xy9 1
9 . 1314 . 1 1 4 ALA HB1 H 5.466 2.095 0.686 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB1 . . rr_1xy9 1
9 . 1315 . 1 1 4 ALA HB2 H 6.285 0.586 0.216 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB2 . . rr_1xy9 1
9 . 1316 . 1 1 4 ALA HB3 H 5.540 1.619 -1.027 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB3 . . rr_1xy9 1
9 . 1317 . 1 1 4 ALA N N 4.123 -0.646 -0.757 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA N . . rr_1xy9 1
9 . 1318 . 1 1 4 ALA O O 2.733 1.852 -1.243 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA O . . rr_1xy9 1
9 . 1319 . 1 1 5 DTR C C -0.082 1.904 1.865 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xy9 1
9 . 1320 . 1 1 5 DTR CA C 0.910 2.363 0.793 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xy9 1
9 . 1321 . 1 1 5 DTR CB C 1.355 3.817 0.973 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xy9 1
9 . 1322 . 1 1 5 DTR CD1 C 3.696 4.686 0.316 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xy9 1
9 . 1323 . 1 1 5 DTR CD2 C 3.710 3.428 2.140 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xy9 1
9 . 1324 . 1 1 5 DTR CE2 C 5.009 3.823 1.903 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xy9 1
9 . 1325 . 1 1 5 DTR CE3 C 3.381 2.611 3.237 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xy9 1
9 . 1326 . 1 1 5 DTR CG C 2.869 3.990 1.109 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xy9 1
9 . 1327 . 1 1 5 DTR CH2 C 5.782 2.638 3.816 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xy9 1
9 . 1328 . 1 1 5 DTR CZ2 C 6.085 3.451 2.718 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xy9 1
9 . 1329 . 1 1 5 DTR CZ3 C 4.467 2.248 4.041 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xy9 1
9 . 1330 . 1 1 5 DTR H H 2.263 1.153 1.814 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xy9 1
9 . 1331 . 1 1 5 DTR HA H 0.506 2.173 -0.201 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xy9 1
9 . 1332 . 1 1 5 DTR HB2 H 1.009 4.400 0.118 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xy9 1
9 . 1333 . 1 1 5 DTR HB3 H 0.871 4.228 1.858 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xy9 1
9 . 1334 . 1 1 5 DTR HD1 H 3.378 5.238 -0.566 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xy9 1
9 . 1335 . 1 1 5 DTR HE1 H 5.867 5.086 0.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xy9 1
9 . 1336 . 1 1 5 DTR HE3 H 2.361 2.288 3.444 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xy9 1
9 . 1337 . 1 1 5 DTR HH2 H 6.574 2.312 4.492 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xy9 1
9 . 1338 . 1 1 5 DTR HZ2 H 7.104 3.777 2.509 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xy9 1
9 . 1339 . 1 1 5 DTR HZ3 H 4.268 1.615 4.908 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xy9 1
9 . 1340 . 1 1 5 DTR N N 2.107 1.549 0.909 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xy9 1
9 . 1341 . 1 1 5 DTR NE1 N 5.001 4.612 0.757 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xy9 1
9 . 1342 . 1 1 5 DTR O O 0.322 1.503 2.957 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xy9 1
9 . 1343 . 1 1 6 IAM C C -3.684 1.197 1.677 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xy9 1
9 . 1344 . 1 1 6 IAM CA C -2.407 1.571 2.435 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xy9 1
9 . 1345 . 1 1 6 IAM CB C -2.697 2.771 3.337 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xy9 1
9 . 1346 . 1 1 6 IAM CD1 C -4.843 4.029 3.047 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xy9 1
9 . 1347 . 1 1 6 IAM CD2 C -3.003 4.651 1.713 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xy9 1
9 . 1348 . 1 1 6 IAM CE1 C -5.631 5.038 2.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xy9 1
9 . 1349 . 1 1 6 IAM CE2 C -3.791 5.661 1.098 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xy9 1
9 . 1350 . 1 1 6 IAM CG C -3.545 3.858 2.676 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xy9 1
9 . 1351 . 1 1 6 IAM CI C -5.133 9.225 1.595 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xy9 1
9 . 1352 . 1 1 6 IAM CK1 C -3.722 9.832 1.717 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xy9 1
9 . 1353 . 1 1 6 IAM CK2 C -5.571 8.664 2.959 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xy9 1
9 . 1354 . 1 1 6 IAM CT C -5.942 6.926 0.805 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xy9 1
9 . 1355 . 1 1 6 IAM CZ C -5.089 5.832 1.470 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xy9 1
9 . 1356 . 1 1 6 IAM H H -1.676 2.300 0.625 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xy9 1
9 . 1357 . 1 1 6 IAM HA H -2.043 0.700 2.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xy9 1
9 . 1358 . 1 1 6 IAM HB H -1.753 3.208 3.659 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xy9 1
9 . 1359 . 1 1 6 IAM HB1 H -3.208 2.422 4.235 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xy9 1
9 . 1360 . 1 1 6 IAM HD1 H -5.277 3.392 3.817 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xy9 1
9 . 1361 . 1 1 6 IAM HD2 H -1.965 4.514 1.415 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xy9 1
9 . 1362 . 1 1 6 IAM HE1 H -6.671 5.177 2.732 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xy9 1
9 . 1363 . 1 1 6 IAM HE2 H -3.356 6.298 0.328 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xy9 1
9 . 1364 . 1 1 6 IAM HH H -4.525 8.215 -0.245 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xy9 1
9 . 1365 . 1 1 6 IAM HI H -5.820 9.982 1.283 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xy9 1
9 . 1366 . 1 1 6 IAM HK11 H -3.033 9.075 2.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xy9 1
9 . 1367 . 1 1 6 IAM HK12 H -3.418 10.221 0.768 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xy9 1
9 . 1368 . 1 1 6 IAM HK13 H -3.736 10.622 2.439 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xy9 1
9 . 1369 . 1 1 6 IAM HK21 H -6.551 8.242 2.874 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xy9 1
9 . 1370 . 1 1 6 IAM HK22 H -4.883 7.906 3.273 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xy9 1
9 . 1371 . 1 1 6 IAM HK23 H -5.584 9.453 3.683 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xy9 1
9 . 1372 . 1 1 6 IAM HT1 H -6.772 7.165 1.437 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xy9 1
9 . 1373 . 1 1 6 IAM HT2 H -6.302 6.574 -0.141 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xy9 1
9 . 1374 . 1 1 6 IAM N N -1.356 1.974 1.515 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xy9 1
9 . 1375 . 1 1 6 IAM NH N -5.115 8.134 0.596 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xy9 1
9 . 1376 . 1 1 6 IAM O O -4.326 0.196 1.992 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xy9 1
9 . 1377 . 1 1 7 THR C C -4.933 0.712 -1.160 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xy9 1
9 . 1378 . 1 1 7 THR CA C -5.202 1.791 -0.109 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xy9 1
9 . 1379 . 1 1 7 THR CB C -5.632 3.131 -0.712 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xy9 1
9 . 1380 . 1 1 7 THR CG2 C -6.704 2.970 -1.791 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xy9 1
9 . 1381 . 1 1 7 THR H H -3.485 2.834 0.445 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xy9 1
9 . 1382 . 1 1 7 THR HA H -5.991 1.414 0.541 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xy9 1
9 . 1383 . 1 1 7 THR HB H -4.773 3.680 -1.095 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xy9 1
9 . 1384 . 1 1 7 THR HG1 H -7.055 3.213 0.692 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xy9 1
9 . 1385 . 1 1 7 THR HG21 H -7.324 3.866 -1.824 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xy9 1
9 . 1386 . 1 1 7 THR HG22 H -6.226 2.824 -2.760 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xy9 1
9 . 1387 . 1 1 7 THR HG23 H -7.327 2.105 -1.560 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xy9 1
9 . 1388 . 1 1 7 THR N N -4.013 2.021 0.695 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xy9 1
9 . 1389 . 1 1 7 THR O O -4.938 -0.478 -0.849 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xy9 1
9 . 1390 . 1 1 7 THR OG1 O -6.311 3.789 0.356 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xy9 1
9 . 1391 . 1 1 8 THR C C -3.665 -0.976 -2.998 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xy9 1
9 . 1392 . 1 1 8 THR CA C -4.437 0.254 -3.482 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xy9 1
9 . 1393 . 1 1 8 THR CB C -3.528 1.026 -4.485 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xy9 1
9 . 1394 . 1 1 8 THR H H -4.704 2.136 -2.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xy9 1
9 . 1395 . 1 1 8 THR HA H -5.351 -0.098 -3.993 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xy9 1
9 . 1396 . 1 1 8 THR N N -4.705 1.166 -2.384 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xy9 1
9 . 1397 . 1 1 8 THR O O -3.923 -2.091 -3.447 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xy9 1
9 . 1398 . 1 1 9 SER C C -2.815 -2.962 -1.080 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xy9 1
9 . 1399 . 1 1 9 SER CA C -1.926 -1.805 -1.536 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xy9 1
9 . 1400 . 1 1 9 SER CB C -1.066 -1.220 -0.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xy9 1
9 . 1401 . 1 1 9 SER H H -2.532 0.180 -1.727 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xy9 1
9 . 1402 . 1 1 9 SER HA H -1.280 -2.189 -2.327 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xy9 1
9 . 1403 . 1 1 9 SER N N -2.736 -0.730 -2.087 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xy9 1
9 . 1404 . 1 1 9 SER O O -4.038 -2.893 -1.195 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xy9 1
9 . 1405 . 1 1 10 CYS C C -2.961 -5.155 1.430 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xy9 1
9 . 1406 . 1 1 10 CYS CA C -2.883 -5.170 -0.098 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xy9 1
9 . 1407 . 1 1 10 CYS CB C -2.211 -6.465 -0.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xy9 1
9 . 1408 . 1 1 10 CYS H H -1.172 -4.049 -0.482 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xy9 1
9 . 1409 . 1 1 10 CYS HA H -3.923 -5.142 -0.473 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xy9 1
9 . 1410 . 1 1 10 CYS HB2 H -1.774 -6.280 -1.622 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xy9 1
9 . 1411 . 1 1 10 CYS HB3 H -1.352 -6.755 0.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xy9 1
9 . 1412 . 1 1 10 CYS N N -2.167 -4.000 -0.572 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xy9 1
9 . 1413 . 1 1 10 CYS O O -4.051 -5.151 2.000 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xy9 1
10 . 1414 . 1 1 1 CYS C C 3.267 -5.334 1.822 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xy9 1
10 . 1415 . 1 1 1 CYS CA C 3.738 -6.182 3.004 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xy9 1
10 . 1416 . 1 1 1 CYS CB C 3.182 -5.669 4.334 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xy9 1
10 . 1417 . 1 1 1 CYS H1 H 5.536 -6.077 2.039 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xy9 1
10 . 1418 . 1 1 1 CYS H2 H 5.547 -5.437 3.593 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xy9 1
10 . 1419 . 1 1 1 CYS HA H 3.414 -7.215 2.893 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xy9 1
10 . 1420 . 1 1 1 CYS HB2 H 3.884 -5.924 5.128 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xy9 1
10 . 1421 . 1 1 1 CYS HB3 H 3.130 -4.581 4.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xy9 1
10 . 1422 . 1 1 1 CYS N N 5.192 -6.202 3.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xy9 1
10 . 1423 . 1 1 1 CYS O O 2.653 -4.285 2.013 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xy9 1
10 . 1424 . 1 1 1 CYS SG S 1.530 -6.320 4.777 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xy9 1
10 . 1425 . 1 1 2 LYS C C 4.102 -3.907 -0.782 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xy9 1
10 . 1426 . 1 1 2 LYS CA C 3.188 -5.117 -0.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xy9 1
10 . 1427 . 1 1 2 LYS CB C 1.699 -4.764 -0.551 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xy9 1
10 . 1428 . 1 1 2 LYS CD C 1.383 -5.167 -3.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xy9 1
10 . 1429 . 1 1 2 LYS CE C 0.942 -3.745 -3.374 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xy9 1
10 . 1430 . 1 1 2 LYS CG C 0.924 -5.548 -1.611 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xy9 1
10 . 1431 . 1 1 2 LYS H H 4.074 -6.672 0.481 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xy9 1
10 . 1432 . 1 1 2 LYS HA H 3.336 -5.802 -1.420 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xy9 1
10 . 1433 . 1 1 2 LYS HB2 H 1.293 -4.981 0.437 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xy9 1
10 . 1434 . 1 1 2 LYS HB3 H 1.572 -3.695 -0.718 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xy9 1
10 . 1435 . 1 1 2 LYS HD2 H 2.468 -5.242 -3.085 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xy9 1
10 . 1436 . 1 1 2 LYS HD3 H 0.971 -5.869 -3.744 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xy9 1
10 . 1437 . 1 1 2 LYS HE2 H 0.828 -3.157 -2.464 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xy9 1
10 . 1438 . 1 1 2 LYS HE3 H 1.710 -3.259 -3.975 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xy9 1
10 . 1439 . 1 1 2 LYS HG2 H 1.067 -6.617 -1.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xy9 1
10 . 1440 . 1 1 2 LYS HG3 H -0.143 -5.350 -1.506 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xy9 1
10 . 1441 . 1 1 2 LYS HZ1 H -0.473 -2.927 -4.667 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xy9 1
10 . 1442 . 1 1 2 LYS HZ2 H -0.386 -4.551 -4.764 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xy9 1
10 . 1443 . 1 1 2 LYS N N 3.573 -5.819 0.628 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xy9 1
10 . 1444 . 1 1 2 LYS NZ N -0.336 -3.770 -4.119 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xy9 1
10 . 1445 . 1 1 2 LYS O O 4.894 -3.574 0.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xy9 1
10 . 1446 . 1 1 3 PHE C C 4.905 -1.193 -1.053 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xy9 1
10 . 1447 . 1 1 3 PHE CA C 4.768 -2.116 -2.266 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xy9 1
10 . 1448 . 1 1 3 PHE CB C 4.041 -1.367 -3.384 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xy9 1
10 . 1449 . 1 1 3 PHE CD1 C 5.767 -0.262 -4.820 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xy9 1
10 . 1450 . 1 1 3 PHE CD2 C 4.634 -2.133 -5.693 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xy9 1
10 . 1451 . 1 1 3 PHE CE1 C 6.515 -0.152 -6.023 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xy9 1
10 . 1452 . 1 1 3 PHE CE2 C 5.380 -2.025 -6.896 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xy9 1
10 . 1453 . 1 1 3 PHE CG C 4.844 -1.250 -4.681 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xy9 1
10 . 1454 . 1 1 3 PHE CZ C 6.304 -1.035 -7.036 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xy9 1
10 . 1455 . 1 1 3 PHE H H 3.317 -3.561 -2.653 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xy9 1
10 . 1456 . 1 1 3 PHE HA H 5.754 -2.475 -2.561 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xy9 1
10 . 1457 . 1 1 3 PHE HB2 H 3.099 -1.878 -3.596 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xy9 1
10 . 1458 . 1 1 3 PHE HB3 H 3.787 -0.367 -3.033 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xy9 1
10 . 1459 . 1 1 3 PHE HD1 H 5.935 0.446 -4.008 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xy9 1
10 . 1460 . 1 1 3 PHE HD2 H 3.893 -2.925 -5.581 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xy9 1
10 . 1461 . 1 1 3 PHE HE1 H 7.254 0.640 -6.135 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xy9 1
10 . 1462 . 1 1 3 PHE HE2 H 5.212 -2.733 -7.707 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xy9 1
10 . 1463 . 1 1 3 PHE HZ H 6.876 -0.951 -7.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xy9 1
10 . 1464 . 1 1 3 PHE N N 3.964 -3.282 -1.943 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xy9 1
10 . 1465 . 1 1 3 PHE O O 5.969 -1.121 -0.442 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xy9 1
10 . 1466 . 1 1 4 ALA C C 2.602 1.352 0.251 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA C . . rr_1xy9 1
10 . 1467 . 1 1 4 ALA CA C 3.798 0.408 0.382 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CA . . rr_1xy9 1
10 . 1468 . 1 1 4 ALA CB C 5.129 1.160 0.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA CB . . rr_1xy9 1
10 . 1469 . 1 1 4 ALA H H 2.952 -0.573 -1.248 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA H . . rr_1xy9 1
10 . 1470 . 1 1 4 ALA HA H 3.687 -0.182 1.291 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HA . . rr_1xy9 1
10 . 1471 . 1 1 4 ALA HB1 H 5.124 1.837 1.300 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB1 . . rr_1xy9 1
10 . 1472 . 1 1 4 ALA HB2 H 5.946 0.446 0.553 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB2 . . rr_1xy9 1
10 . 1473 . 1 1 4 ALA HB3 H 5.266 1.734 -0.471 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA HB3 . . rr_1xy9 1
10 . 1474 . 1 1 4 ALA N N 3.813 -0.510 -0.744 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA N . . rr_1xy9 1
10 . 1475 . 1 1 4 ALA O O 2.194 1.692 -0.858 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 ALA O . . rr_1xy9 1
10 . 1476 . 1 1 5 DTR C C -0.151 2.011 2.301 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xy9 1
10 . 1477 . 1 1 5 DTR CA C 0.931 2.648 1.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xy9 1
10 . 1478 . 1 1 5 DTR CB C 1.443 3.981 1.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xy9 1
10 . 1479 . 1 1 5 DTR CD1 C 3.430 3.807 3.619 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xy9 1
10 . 1480 . 1 1 5 DTR CD2 C 4.057 4.097 1.514 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xy9 1
10 . 1481 . 1 1 5 DTR CE2 C 5.202 4.022 2.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xy9 1
10 . 1482 . 1 1 5 DTR CE3 C 4.115 4.281 0.122 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xy9 1
10 . 1483 . 1 1 5 DTR CG C 2.916 3.958 2.390 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xy9 1
10 . 1484 . 1 1 5 DTR CH2 C 6.574 4.304 0.356 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xy9 1
10 . 1485 . 1 1 5 DTR CZ2 C 6.490 4.121 1.741 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xy9 1
10 . 1486 . 1 1 5 DTR CZ3 C 5.410 4.378 -0.401 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xy9 1
10 . 1487 . 1 1 5 DTR H H 2.413 1.468 2.297 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xy9 1
10 . 1488 . 1 1 5 DTR HA H 0.583 2.733 0.397 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xy9 1
10 . 1489 . 1 1 5 DTR HB2 H 1.297 4.754 1.228 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xy9 1
10 . 1490 . 1 1 5 DTR HB3 H 0.840 4.258 2.845 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xy9 1
10 . 1491 . 1 1 5 DTR HD1 H 2.831 3.675 4.521 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xy9 1
10 . 1492 . 1 1 5 DTR HE1 H 5.469 3.742 4.461 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xy9 1
10 . 1493 . 1 1 5 DTR HE3 H 3.222 4.343 -0.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xy9 1
10 . 1494 . 1 1 5 DTR HH2 H 7.546 4.388 -0.129 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xy9 1
10 . 1495 . 1 1 5 DTR HZ2 H 7.381 4.059 2.366 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xy9 1
10 . 1496 . 1 1 5 DTR HZ3 H 5.512 4.522 -1.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xy9 1
10 . 1497 . 1 1 5 DTR N N 2.073 1.749 1.399 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xy9 1
10 . 1498 . 1 1 5 DTR NE1 N 4.809 3.840 3.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xy9 1
10 . 1499 . 1 1 5 DTR O O 0.072 1.762 3.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xy9 1
10 . 1500 . 1 1 6 IAM C C -3.574 0.872 1.440 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xy9 1
10 . 1501 . 1 1 6 IAM CA C -2.413 1.161 2.393 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xy9 1
10 . 1502 . 1 1 6 IAM CB C -2.873 2.172 3.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xy9 1
10 . 1503 . 1 1 6 IAM CD1 C -2.774 4.243 2.041 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xy9 1
10 . 1504 . 1 1 6 IAM CD2 C -4.789 3.757 3.158 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xy9 1
10 . 1505 . 1 1 6 IAM CE1 C -3.357 5.417 1.496 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xy9 1
10 . 1506 . 1 1 6 IAM CE2 C -5.374 4.933 2.614 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xy9 1
10 . 1507 . 1 1 6 IAM CG C -3.502 3.437 2.860 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xy9 1
10 . 1508 . 1 1 6 IAM CI C -3.952 8.622 -0.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xy9 1
10 . 1509 . 1 1 6 IAM CK1 C -2.718 8.695 0.638 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xy9 1
10 . 1510 . 1 1 6 IAM CK2 C -4.920 9.766 0.068 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xy9 1
10 . 1511 . 1 1 6 IAM CT C -5.279 7.009 1.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xy9 1
10 . 1512 . 1 1 6 IAM CZ C -4.645 5.737 1.795 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xy9 1
10 . 1513 . 1 1 6 IAM H H -1.468 1.969 0.721 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xy9 1
10 . 1514 . 1 1 6 IAM HA H -2.056 0.225 2.822 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xy9 1
10 . 1515 . 1 1 6 IAM HB H -2.020 2.455 4.062 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xy9 1
10 . 1516 . 1 1 6 IAM HB1 H -3.596 1.691 4.104 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xy9 1
10 . 1517 . 1 1 6 IAM HD1 H -1.742 3.987 1.802 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xy9 1
10 . 1518 . 1 1 6 IAM HD2 H -5.373 3.113 3.816 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xy9 1
10 . 1519 . 1 1 6 IAM HE1 H -2.774 6.062 0.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xy9 1
10 . 1520 . 1 1 6 IAM HE2 H -6.407 5.189 2.853 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xy9 1
10 . 1521 . 1 1 6 IAM HH H -4.658 6.636 -0.856 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xy9 1
10 . 1522 . 1 1 6 IAM HI H -3.641 8.715 -1.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xy9 1
10 . 1523 . 1 1 6 IAM HK11 H -3.028 8.603 1.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xy9 1
10 . 1524 . 1 1 6 IAM HK12 H -2.044 7.901 0.397 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xy9 1
10 . 1525 . 1 1 6 IAM HK13 H -2.225 9.634 0.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xy9 1
10 . 1526 . 1 1 6 IAM HK21 H -5.777 9.715 -0.571 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xy9 1
10 . 1527 . 1 1 6 IAM HK22 H -5.232 9.675 1.087 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xy9 1
10 . 1528 . 1 1 6 IAM HK23 H -4.429 10.707 -0.071 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xy9 1
10 . 1529 . 1 1 6 IAM HT1 H -5.138 7.827 1.883 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xy9 1
10 . 1530 . 1 1 6 IAM HT2 H -6.327 6.849 1.050 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xy9 1
10 . 1531 . 1 1 6 IAM N N -1.297 1.765 1.685 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xy9 1
10 . 1532 . 1 1 6 IAM NH N -4.634 7.323 -0.088 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xy9 1
10 . 1533 . 1 1 6 IAM O O -4.213 -0.176 1.534 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xy9 1
10 . 1534 . 1 1 7 THR C C -4.557 0.570 -1.428 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xy9 1
10 . 1535 . 1 1 7 THR CA C -4.886 1.677 -0.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xy9 1
10 . 1536 . 1 1 7 THR CB C -5.114 3.041 -1.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xy9 1
10 . 1537 . 1 1 7 THR CG2 C -6.002 2.952 -2.325 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xy9 1
10 . 1538 . 1 1 7 THR H H -3.289 2.667 0.474 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xy9 1
10 . 1539 . 1 1 7 THR HA H -5.790 1.371 0.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xy9 1
10 . 1540 . 1 1 7 THR HB H -4.166 3.525 -1.313 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xy9 1
10 . 1541 . 1 1 7 THR HG1 H -6.742 3.233 0.069 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xy9 1
10 . 1542 . 1 1 7 THR HG21 H -6.542 3.890 -2.453 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xy9 1
10 . 1543 . 1 1 7 THR HG22 H -5.381 2.769 -3.201 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xy9 1
10 . 1544 . 1 1 7 THR HG23 H -6.714 2.136 -2.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xy9 1
10 . 1545 . 1 1 7 THR N N -3.813 1.818 0.544 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xy9 1
10 . 1546 . 1 1 7 THR O O -4.719 -0.613 -1.130 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xy9 1
10 . 1547 . 1 1 7 THR OG1 O -5.911 3.751 -0.136 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xy9 1
10 . 1548 . 1 1 8 THR C C -3.187 -1.245 -3.057 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xy9 1
10 . 1549 . 1 1 8 THR CA C -3.747 0.052 -3.648 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xy9 1
10 . 1550 . 1 1 8 THR CB C -2.620 0.724 -4.485 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xy9 1
10 . 1551 . 1 1 8 THR H H -3.972 1.955 -2.834 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xy9 1
10 . 1552 . 1 1 8 THR HA H -4.599 -0.215 -4.302 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xy9 1
10 . 1553 . 1 1 8 THR N N -4.101 0.993 -2.598 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xy9 1
10 . 1554 . 1 1 8 THR O O -3.571 -2.337 -3.471 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xy9 1
10 . 1555 . 1 1 9 SER C C -2.740 -3.160 -0.887 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xy9 1
10 . 1556 . 1 1 9 SER CA C -1.668 -2.221 -1.447 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xy9 1
10 . 1557 . 1 1 9 SER CB C -0.706 -1.693 -0.380 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xy9 1
10 . 1558 . 1 1 9 SER H H -1.979 -0.187 -1.767 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xy9 1
10 . 1559 . 1 1 9 SER HA H -1.108 -2.783 -2.195 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xy9 1
10 . 1560 . 1 1 9 SER N N -2.287 -1.079 -2.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xy9 1
10 . 1561 . 1 1 9 SER O O -3.932 -2.940 -1.094 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xy9 1
10 . 1562 . 1 1 10 CYS C C -3.152 -5.040 1.925 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xy9 1
10 . 1563 . 1 1 10 CYS CA C -3.180 -5.160 0.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xy9 1
10 . 1564 . 1 1 10 CYS CB C -2.813 -6.590 -0.067 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xy9 1
10 . 1565 . 1 1 10 CYS H H -1.305 -4.357 -0.027 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xy9 1
10 . 1566 . 1 1 10 CYS HA H -4.216 -4.942 0.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xy9 1
10 . 1567 . 1 1 10 CYS HB2 H -2.476 -6.564 -1.122 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xy9 1
10 . 1568 . 1 1 10 CYS HB3 H -1.947 -6.986 0.498 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xy9 1
10 . 1569 . 1 1 10 CYS N N -2.277 -4.185 -0.190 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xy9 1
10 . 1570 . 1 1 10 CYS O O -4.167 -5.253 2.587 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xy9 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_1xy9
_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 1xy9.mr . $. "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1xy9 1
1 1xy9.mr . $. DYANA/DIANA 2 distance NOE simple 176 rr_1xy9 1
1 1xy9.mr . $. "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1xy9 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Entry_ID rr_1xy9
_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_
_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) ' .10.HA' (nmrStar names),' .10.QB' (nmrStar names) not linked" rr_1xy9 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .10.HB2' (nmrStar names),' .11.HN' (nmrStar names) not linked" rr_1xy9 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .11.HN' (nmrStar names),' .10.HB3' (nmrStar names) not linked" rr_1xy9 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .10.HA' (nmrStar names),' .10.HN' (nmrStar names) not linked" rr_1xy9 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .10.HB2' (nmrStar names),' .10.HN' (nmrStar names) not linked" rr_1xy9 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .10.HB3' (nmrStar names),' .10.HN' (nmrStar names) not linked" rr_1xy9 1
7 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .10.QB' (nmrStar names),' .11.HN' (nmrStar names) not linked" rr_1xy9 1
8 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .11.HA' (nmrStar names),' .11.HB2' (nmrStar names) not linked" rr_1xy9 1
9 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .11.HA' (nmrStar names),' .11.HB3' (nmrStar names) not linked" rr_1xy9 1
10 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.HA' (nmrStar names) not linked" rr_1xy9 1
11 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.HB2' (nmrStar names) not linked" rr_1xy9 1
12 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.HB3' (nmrStar names) not linked" rr_1xy9 1
13 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.QB' (nmrStar names) not linked" rr_1xy9 1
14 2 14 1 "Not handling restraint 14, item 1, resonance(s) ' .1.HA' (nmrStar names),' .2.HN' (nmrStar names) not linked" rr_1xy9 1
15 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .1.HA' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xy9 1
16 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .1.HA' (nmrStar names),' .2.QG' (nmrStar names) not linked" rr_1xy9 1
17 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.HN' (nmrStar names) not linked" rr_1xy9 1
18 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .1.HB2' (nmrStar names),' .1.HN' (nmrStar names) not linked" rr_1xy9 1
19 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .1.HB3' (nmrStar names),' .1.HN' (nmrStar names) not linked" rr_1xy9 1
20 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .1.QB' (nmrStar names),' .1.HN' (nmrStar names) not linked" rr_1xy9 1
21 2 21 1 "Not handling restraint 21, item 1, resonance(s) ' .2.HN' (nmrStar names),' .1.HN' (nmrStar names) not linked" rr_1xy9 1
22 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .2.QB' (nmrStar names),' .1.HN' (nmrStar names) not linked" rr_1xy9 1
23 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .2.QG' (nmrStar names),' .1.HN' (nmrStar names) not linked" rr_1xy9 1
24 2 24 1 "Not handling restraint 24, item 1, resonance(s) ' .1.QB' (nmrStar names),' .2.HN' (nmrStar names) not linked" rr_1xy9 1
25 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HD2' (nmrStar names) not linked" rr_1xy9 1
26 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HD3' (nmrStar names) not linked" rr_1xy9 1
27 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.QD' (nmrStar names) not linked" rr_1xy9 1
28 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .2.QG' (nmrStar names),' .2.HA' (nmrStar names) not linked" rr_1xy9 1
29 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .2.HA' (nmrStar names),' .3.HN' (nmrStar names) not linked" rr_1xy9 1
30 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .2.HA' (nmrStar names),' .3.QD' (nmrStar names) not linked" rr_1xy9 1
31 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.HA' (nmrStar names) not linked" rr_1xy9 1
32 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xy9 1
33 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.QD' (nmrStar names) not linked" rr_1xy9 1
34 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.QG' (nmrStar names) not linked" rr_1xy9 1
35 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .10.HB2' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xy9 1
36 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .10.HB3' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xy9 1
37 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .10.HN' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xy9 1
38 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .2.QB' (nmrStar names),' .3.HA' (nmrStar names) not linked" rr_1xy9 1
39 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .2.QB' (nmrStar names),' .3.HN' (nmrStar names) not linked" rr_1xy9 1
40 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .2.QB' (nmrStar names),' .3.QD' (nmrStar names) not linked" rr_1xy9 1
41 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .2.QB' (nmrStar names),' .3.QE' (nmrStar names) not linked" rr_1xy9 1
42 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .2.QB' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_1xy9 1
43 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .2.QB' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_1xy9 1
44 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .2.QB' (nmrStar names),' .6.QD' (nmrStar names) not linked" rr_1xy9 1
45 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .4.QB' (nmrStar names),' .2.QE' (nmrStar names) not linked" rr_1xy9 1
46 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .2.QG' (nmrStar names),' .3.HN' (nmrStar names) not linked" rr_1xy9 1
47 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .2.QG' (nmrStar names),' .3.QD' (nmrStar names) not linked" rr_1xy9 1
48 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .2.QG' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_1xy9 1
49 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .3.HA' (nmrStar names),' .3.HB2' (nmrStar names) not linked" rr_1xy9 1
50 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .3.HA' (nmrStar names),' .3.HB3' (nmrStar names) not linked" rr_1xy9 1
51 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .3.HA' (nmrStar names),' .3.QB' (nmrStar names) not linked" rr_1xy9 1
52 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .4.HA' (nmrStar names),' .3.HB2' (nmrStar names) not linked" rr_1xy9 1
53 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .3.HB2' (nmrStar names),' .4.HN' (nmrStar names) not linked" rr_1xy9 1
54 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .4.QB' (nmrStar names),' .3.HB2' (nmrStar names) not linked" rr_1xy9 1
55 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .3.HB2' (nmrStar names),' .9.HA' (nmrStar names) not linked" rr_1xy9 1
56 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .4.HA' (nmrStar names),' .3.HB3' (nmrStar names) not linked" rr_1xy9 1
57 2 57 1 "Not handling restraint 57, item 1, resonance(s) ' .3.HB3' (nmrStar names),' .4.HN' (nmrStar names) not linked" rr_1xy9 1
58 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .4.QB' (nmrStar names),' .3.HB3' (nmrStar names) not linked" rr_1xy9 1
59 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .3.HB3' (nmrStar names),' .9.HA' (nmrStar names) not linked" rr_1xy9 1
60 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.HA' (nmrStar names) not linked" rr_1xy9 1
61 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.HB2' (nmrStar names) not linked" rr_1xy9 1
62 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.HB3' (nmrStar names) not linked" rr_1xy9 1
63 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.QB' (nmrStar names) not linked" rr_1xy9 1
64 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .4.QB' (nmrStar names),' .3.QB' (nmrStar names) not linked" rr_1xy9 1
65 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .3.QD' (nmrStar names),' .11.QB' (nmrStar names) not linked" rr_1xy9 1
66 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .3.QD' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_1xy9 1
67 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .3.QD' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_1xy9 1
68 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HB2' (nmrStar names) not linked" rr_1xy9 1
69 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HB3' (nmrStar names) not linked" rr_1xy9 1
70 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HD1' (nmrStar names) not linked" rr_1xy9 1
71 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HE3' (nmrStar names) not linked" rr_1xy9 1
72 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xy9 1
73 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .4.HA' (nmrStar names),' .6.QD' (nmrStar names) not linked" rr_1xy9 1
74 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.HN' (nmrStar names) not linked" rr_1xy9 1
75 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .4.QB' (nmrStar names),' .5.HA' (nmrStar names) not linked" rr_1xy9 1
76 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .4.QB' (nmrStar names),' .5.HD1' (nmrStar names) not linked" rr_1xy9 1
77 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .4.QB' (nmrStar names),' .5.HE1' (nmrStar names) not linked" rr_1xy9 1
78 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .4.QB' (nmrStar names),' .5.HE3' (nmrStar names) not linked" rr_1xy9 1
79 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .4.QB' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xy9 1
80 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .4.QB' (nmrStar names),' .5.QB' (nmrStar names) not linked" rr_1xy9 1
81 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .4.QB' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xy9 1
82 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .4.QB' (nmrStar names),' .6.QD' (nmrStar names) not linked" rr_1xy9 1
83 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .5.HB2' (nmrStar names),' .5.HA' (nmrStar names) not linked" rr_1xy9 1
84 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .5.HB3' (nmrStar names),' .5.HA' (nmrStar names) not linked" rr_1xy9 1
85 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .5.HE3' (nmrStar names),' .5.HA' (nmrStar names) not linked" rr_1xy9 1
86 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .5.HA' (nmrStar names),' .5.QB' (nmrStar names) not linked" rr_1xy9 1
87 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .5.HA' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xy9 1
88 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .6.QD' (nmrStar names),' .5.HA' (nmrStar names) not linked" rr_1xy9 1
89 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .5.HA' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xy9 1
90 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .5.HB2' (nmrStar names),' .5.HD1' (nmrStar names) not linked" rr_1xy9 1
91 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .5.HB2' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xy9 1
92 2 92 1 "Not handling restraint 92, item 1, resonance(s) ' .5.HB3' (nmrStar names),' .5.HD1' (nmrStar names) not linked" rr_1xy9 1
93 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .5.HB3' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xy9 1
94 2 94 1 "Not handling restraint 94, item 1, resonance(s) ' .5.HD1' (nmrStar names),' .6.QB' (nmrStar names) not linked" rr_1xy9 1
95 2 95 1 "Not handling restraint 95, item 1, resonance(s) ' .5.HD1' (nmrStar names),' .6.QK' (nmrStar names) not linked" rr_1xy9 1
96 2 96 1 "Not handling restraint 96, item 1, resonance(s) ' .5.HE1' (nmrStar names),' .6.QK' (nmrStar names) not linked" rr_1xy9 1
97 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .5.HE3' (nmrStar names),' .6.QK' (nmrStar names) not linked" rr_1xy9 1
98 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .5.HN' (nmrStar names),' .5.HA' (nmrStar names) not linked" rr_1xy9 1
99 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .5.HB2' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xy9 1
100 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .5.HB3' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xy9 1
101 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .5.HD1' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xy9 1
102 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .5.HE3' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xy9 1
103 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .5.HN' (nmrStar names),' .5.QB' (nmrStar names) not linked" rr_1xy9 1
104 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .5.HN' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xy9 1
105 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .5.QB' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xy9 1
106 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .5.QB' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xy9 1
107 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .6.HA' (nmrStar names),' .6.HB2' (nmrStar names) not linked" rr_1xy9 1
108 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .6.HA' (nmrStar names),' .6.HB3' (nmrStar names) not linked" rr_1xy9 1
109 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .6.QB' (nmrStar names),' .6.HA' (nmrStar names) not linked" rr_1xy9 1
110 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .6.HA' (nmrStar names),' .7.QG2' (nmrStar names) not linked" rr_1xy9 1
111 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .7.HN' (nmrStar names),' .6.HB2' (nmrStar names) not linked" rr_1xy9 1
112 2 112 1 "Not handling restraint 112, item 1, resonance(s) ' .7.HN' (nmrStar names),' .6.HB3' (nmrStar names) not linked" rr_1xy9 1
113 2 113 1 "Not handling restraint 113, item 1, resonance(s) ' .6.HH' (nmrStar names),' .7.HG1' (nmrStar names) not linked" rr_1xy9 1
114 2 114 1 "Not handling restraint 114, item 1, resonance(s) ' .7.HN' (nmrStar names),' .6.HH' (nmrStar names) not linked" rr_1xy9 1
115 2 115 1 "Not handling restraint 115, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HA' (nmrStar names) not linked" rr_1xy9 1
116 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.QB' (nmrStar names) not linked" rr_1xy9 1
117 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .6.HN' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xy9 1
118 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .6.HN' (nmrStar names),' .8.HD1' (nmrStar names) not linked" rr_1xy9 1
119 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .7.HN' (nmrStar names),' .6.QB' (nmrStar names) not linked" rr_1xy9 1
120 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .6.QB' (nmrStar names),' .8.HD1' (nmrStar names) not linked" rr_1xy9 1
121 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .6.QB' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xy9 1
122 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .6.QD' (nmrStar names),' .8.QB' (nmrStar names) not linked" rr_1xy9 1
123 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .6.QE' (nmrStar names),' .6.HI' (nmrStar names) not linked" rr_1xy9 1
124 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .6.QK' (nmrStar names),' .6.QE' (nmrStar names) not linked" rr_1xy9 1
125 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .7.HB' (nmrStar names),' .8.HB2' (nmrStar names) not linked" rr_1xy9 1
126 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .7.HB' (nmrStar names),' .8.HB3' (nmrStar names) not linked" rr_1xy9 1
127 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .7.HB' (nmrStar names) not linked" rr_1xy9 1
128 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .7.HB' (nmrStar names),' .8.HD2' (nmrStar names) not linked" rr_1xy9 1
129 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .8.HN' (nmrStar names),' .7.HB' (nmrStar names) not linked" rr_1xy9 1
130 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .7.HB' (nmrStar names),' .9.HN' (nmrStar names) not linked" rr_1xy9 1
131 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .7.HB' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xy9 1
132 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HA' (nmrStar names) not linked" rr_1xy9 1
133 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HB' (nmrStar names) not linked" rr_1xy9 1
134 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HG1' (nmrStar names) not linked" rr_1xy9 1
135 2 135 1 "Not handling restraint 135, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.QG2' (nmrStar names) not linked" rr_1xy9 1
136 2 136 1 "Not handling restraint 136, item 1, resonance(s) ' .7.HN' (nmrStar names),' .8.HH' (nmrStar names) not linked" rr_1xy9 1
137 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .7.HN' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xy9 1
138 2 138 1 "Not handling restraint 138, item 1, resonance(s) ' .7.HN' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xy9 1
139 2 139 1 "Not handling restraint 139, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .8.HD1' (nmrStar names) not linked" rr_1xy9 1
140 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .8.HE1' (nmrStar names) not linked" rr_1xy9 1
141 2 141 1 "Not handling restraint 141, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xy9 1
142 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .8.HB2' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xy9 1
143 2 143 1 "Not handling restraint 143, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xy9 1
144 2 144 1 "Not handling restraint 144, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xy9 1
145 2 145 1 "Not handling restraint 145, item 1, resonance(s) ' .8.HD2' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xy9 1
146 2 146 1 "Not handling restraint 146, item 1, resonance(s) ' .8.QB' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xy9 1
147 2 147 1 "Not handling restraint 147, item 1, resonance(s) ' .9.QG2' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xy9 1
148 2 148 1 "Not handling restraint 148, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.HB2' (nmrStar names) not linked" rr_1xy9 1
149 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .8.HB2' (nmrStar names),' .8.HD2' (nmrStar names) not linked" rr_1xy9 1
150 2 150 1 "Not handling restraint 150, item 1, resonance(s) ' .8.HB2' (nmrStar names),' .8.HE1' (nmrStar names) not linked" rr_1xy9 1
151 2 151 1 "Not handling restraint 151, item 1, resonance(s) ' .9.HA' (nmrStar names),' .8.HB2' (nmrStar names) not linked" rr_1xy9 1
152 2 152 1 "Not handling restraint 152, item 1, resonance(s) ' .8.HB2' (nmrStar names),' .9.HN' (nmrStar names) not linked" rr_1xy9 1
153 2 153 1 "Not handling restraint 153, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.HB3' (nmrStar names) not linked" rr_1xy9 1
154 2 154 1 "Not handling restraint 154, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .8.HD2' (nmrStar names) not linked" rr_1xy9 1
155 2 155 1 "Not handling restraint 155, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .8.HE1' (nmrStar names) not linked" rr_1xy9 1
156 2 156 1 "Not handling restraint 156, item 1, resonance(s) ' .9.HA' (nmrStar names),' .8.HB3' (nmrStar names) not linked" rr_1xy9 1
157 2 157 1 "Not handling restraint 157, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .9.HN' (nmrStar names) not linked" rr_1xy9 1
158 2 158 1 "Not handling restraint 158, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .9.HB' (nmrStar names) not linked" rr_1xy9 1
159 2 159 1 "Not handling restraint 159, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xy9 1
160 2 160 1 "Not handling restraint 160, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xy9 1
161 2 161 1 "Not handling restraint 161, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xy9 1
162 2 162 1 "Not handling restraint 162, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HD2' (nmrStar names) not linked" rr_1xy9 1
163 2 163 1 "Not handling restraint 163, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.QB' (nmrStar names) not linked" rr_1xy9 1
164 2 164 1 "Not handling restraint 164, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.QB' (nmrStar names) not linked" rr_1xy9 1
165 2 165 1 "Not handling restraint 165, item 1, resonance(s) ' .8.QB' (nmrStar names),' .8.HD2' (nmrStar names) not linked" rr_1xy9 1
166 2 166 1 "Not handling restraint 166, item 1, resonance(s) ' .8.QB' (nmrStar names),' .9.HN' (nmrStar names) not linked" rr_1xy9 1
167 2 167 1 "Not handling restraint 167, item 1, resonance(s) ' .10.HN' (nmrStar names),' .9.HA' (nmrStar names) not linked" rr_1xy9 1
168 2 168 1 "Not handling restraint 168, item 1, resonance(s) ' .9.HA' (nmrStar names),' .9.HB' (nmrStar names) not linked" rr_1xy9 1
169 2 169 1 "Not handling restraint 169, item 1, resonance(s) ' .9.HA' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xy9 1
170 2 170 1 "Not handling restraint 170, item 1, resonance(s) ' .10.HN' (nmrStar names),' .9.HB' (nmrStar names) not linked" rr_1xy9 1
171 2 171 1 "Not handling restraint 171, item 1, resonance(s) ' .11.HN' (nmrStar names),' .9.HB' (nmrStar names) not linked" rr_1xy9 1
172 2 172 1 "Not handling restraint 172, item 1, resonance(s) ' .9.HA' (nmrStar names),' .9.HN' (nmrStar names) not linked" rr_1xy9 1
173 2 173 1 "Not handling restraint 173, item 1, resonance(s) ' .9.HN' (nmrStar names),' .9.HB' (nmrStar names) not linked" rr_1xy9 1
174 2 174 1 "Not handling restraint 174, item 1, resonance(s) ' .9.HN' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xy9 1
175 2 175 1 "Not handling restraint 175, item 1, resonance(s) ' .10.HN' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xy9 1
176 2 176 1 "Not handling restraint 176, item 1, resonance(s) ' .10.QB' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xy9 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_1xy9
_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 HORMONE/GROWTH FACTOR 09-NOV-04 1XY9 *TITLE NMR STRCUTRE OF SST1-SELECTIVE SOMATOSTATIN (SRIF) ANALOG 1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SST1-SELECTIVE SOMATOSATIN ANALOG; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: SRIF; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: PEPTIDE SYNTHESISED USING SOLID PHASE *SOURCE 4 APPROACH EITHER MANUALLY OR ON A CS-BIOPEPTIDE SYNTHESIZER *SOURCE 5 MODEL CS536 *KEYWDS GAMMA TURN *EXPDTA NMR, 10 STRUCTURES *AUTHOR C.R.R.GRACE, L.DURRER, S.C.KOERBER, J.ERCHEGYI, J.C.REUBI, *AUTHOR 2 J.E.RIVIER, R.RIEK *REVDAT 1 15-FEB-05 1XY9 0 "
save_
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