NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
297985 |
1jjd   |
5147 | cing | 4-filtered-FRED | STAR | entry | full |
data_FRED_restraints_with_modified_coordinates_PDB_code_1jjd
# This FRED archive file contains, for PDB entry <1jjd>:
#
# - 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_1jjd
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1jjd"
_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 1jjd"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1jjd
_Assembly.ID 1
_Assembly.Name 1jjd
_Assembly.Number_of_components 5
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 4
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 5861.6894
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 METALLOTHIONEIN 1 $METALLOTHIONEIN A . no . . . . . . rr_1jjd 1
2 "ZINC ION" 2 $ZINC_ION B . no . . . . . . rr_1jjd 1
3 "ZINC ION" 2 $ZINC_ION C . no . . . . . . rr_1jjd 1
4 "ZINC ION" 2 $ZINC_ION D . no . . . . . . rr_1jjd 1
5 "ZINC ION" 2 $ZINC_ION E . no . . . . . . rr_1jjd 1
stop_
save_
save_METALLOTHIONEIN
_Entity.Sf_category entity
_Entity.Sf_framecode METALLOTHIONEIN
_Entity.Entry_ID rr_1jjd
_Entity.ID 1
_Entity.Name METALLOTHIONEIN
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;TSTTLVKCACEPCLCNVDPS
KAIDRNGLYYCSEACADGHT
GGSKGCGHTGCNCHG
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 55
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 5600.1694
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 . THR . rr_1jjd 1
2 . SER . rr_1jjd 1
3 . THR . rr_1jjd 1
4 . THR . rr_1jjd 1
5 . LEU . rr_1jjd 1
6 . VAL . rr_1jjd 1
7 . LYS . rr_1jjd 1
8 . CYS . rr_1jjd 1
9 . ALA . rr_1jjd 1
10 . CYS . rr_1jjd 1
11 . GLU . rr_1jjd 1
12 . PRO . rr_1jjd 1
13 . CYS . rr_1jjd 1
14 . LEU . rr_1jjd 1
15 . CYS . rr_1jjd 1
16 . ASN . rr_1jjd 1
17 . VAL . rr_1jjd 1
18 . ASP . rr_1jjd 1
19 . PRO . rr_1jjd 1
20 . SER . rr_1jjd 1
21 . LYS . rr_1jjd 1
22 . ALA . rr_1jjd 1
23 . ILE . rr_1jjd 1
24 . ASP . rr_1jjd 1
25 . ARG . rr_1jjd 1
26 . ASN . rr_1jjd 1
27 . GLY . rr_1jjd 1
28 . LEU . rr_1jjd 1
29 . TYR . rr_1jjd 1
30 . TYR . rr_1jjd 1
31 . CYS . rr_1jjd 1
32 . SER . rr_1jjd 1
33 . GLU . rr_1jjd 1
34 . ALA . rr_1jjd 1
35 . CYS . rr_1jjd 1
36 . ALA . rr_1jjd 1
37 . ASP . rr_1jjd 1
38 . GLY . rr_1jjd 1
39 . HIS . rr_1jjd 1
40 . THR . rr_1jjd 1
41 . GLY . rr_1jjd 1
42 . GLY . rr_1jjd 1
43 . SER . rr_1jjd 1
44 . LYS . rr_1jjd 1
45 . GLY . rr_1jjd 1
46 . CYS . rr_1jjd 1
47 . GLY . rr_1jjd 1
48 . HIS . rr_1jjd 1
49 . THR . rr_1jjd 1
50 . GLY . rr_1jjd 1
51 . CYS . rr_1jjd 1
52 . ASN . rr_1jjd 1
53 . CYS . rr_1jjd 1
54 . HIS . rr_1jjd 1
55 . GLY . rr_1jjd 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. THR 1 1 rr_1jjd 1
. SER 2 2 rr_1jjd 1
. THR 3 3 rr_1jjd 1
. THR 4 4 rr_1jjd 1
. LEU 5 5 rr_1jjd 1
. VAL 6 6 rr_1jjd 1
. LYS 7 7 rr_1jjd 1
. CYS 8 8 rr_1jjd 1
. ALA 9 9 rr_1jjd 1
. CYS 10 10 rr_1jjd 1
. GLU 11 11 rr_1jjd 1
. PRO 12 12 rr_1jjd 1
. CYS 13 13 rr_1jjd 1
. LEU 14 14 rr_1jjd 1
. CYS 15 15 rr_1jjd 1
. ASN 16 16 rr_1jjd 1
. VAL 17 17 rr_1jjd 1
. ASP 18 18 rr_1jjd 1
. PRO 19 19 rr_1jjd 1
. SER 20 20 rr_1jjd 1
. LYS 21 21 rr_1jjd 1
. ALA 22 22 rr_1jjd 1
. ILE 23 23 rr_1jjd 1
. ASP 24 24 rr_1jjd 1
. ARG 25 25 rr_1jjd 1
. ASN 26 26 rr_1jjd 1
. GLY 27 27 rr_1jjd 1
. LEU 28 28 rr_1jjd 1
. TYR 29 29 rr_1jjd 1
. TYR 30 30 rr_1jjd 1
. CYS 31 31 rr_1jjd 1
. SER 32 32 rr_1jjd 1
. GLU 33 33 rr_1jjd 1
. ALA 34 34 rr_1jjd 1
. CYS 35 35 rr_1jjd 1
. ALA 36 36 rr_1jjd 1
. ASP 37 37 rr_1jjd 1
. GLY 38 38 rr_1jjd 1
. HIS 39 39 rr_1jjd 1
. THR 40 40 rr_1jjd 1
. GLY 41 41 rr_1jjd 1
. GLY 42 42 rr_1jjd 1
. SER 43 43 rr_1jjd 1
. LYS 44 44 rr_1jjd 1
. GLY 45 45 rr_1jjd 1
. CYS 46 46 rr_1jjd 1
. GLY 47 47 rr_1jjd 1
. HIS 48 48 rr_1jjd 1
. THR 49 49 rr_1jjd 1
. GLY 50 50 rr_1jjd 1
. CYS 51 51 rr_1jjd 1
. ASN 52 52 rr_1jjd 1
. CYS 53 53 rr_1jjd 1
. HIS 54 54 rr_1jjd 1
. GLY 55 55 rr_1jjd 1
stop_
save_
save_ZINC_ION
_Entity.Sf_category entity
_Entity.Sf_framecode ZINC_ION
_Entity.Entry_ID rr_1jjd
_Entity.ID 2
_Entity.Name ZINC_ION
_Entity.Type non-polymer
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID ZN
_Entity.Nonpolymer_comp_label $chem_comp_ZN
_Entity.Number_of_monomers 1
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 2
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 . ZN . rr_1jjd 2
stop_
save_
save_chem_comp_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ZN
_Chem_comp.Entry_ID rr_1jjd
_Chem_comp.ID ZN
_Chem_comp.Name "ZINC ION"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code ZN
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula Zn
_Chem_comp.Formula_weight 65.38
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1jjd
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 1
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_1jjd
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . rr_1jjd 1
stop_
loop_
_Conformer_family_software.Software_ID
_Conformer_family_software.Software_label
_Conformer_family_software.Method_ID
_Conformer_family_software.Method_label
_Conformer_family_software.Entry_ID
_Conformer_family_software.Conformer_family_coord_set_ID
. . . . rr_1jjd 1
stop_
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 4 THR C C 8.470 11.753 2.943 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR C . . rr_1jjd 1
1 . 2 . 1 1 4 THR CA C 9.102 13.034 3.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR CA . . rr_1jjd 1
1 . 3 . 1 1 4 THR CB C 8.219 14.237 2.987 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR CB . . rr_1jjd 1
1 . 4 . 1 1 4 THR CG2 C 8.981 15.587 3.060 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR CG2 . . rr_1jjd 1
1 . 5 . 1 1 4 THR H H 11.131 13.667 3.317 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR H . . rr_1jjd 1
1 . 6 . 1 1 4 THR HA H 9.194 13.029 4.533 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR HA . . rr_1jjd 1
1 . 7 . 1 1 4 THR HB H 7.337 14.287 3.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR HB . . rr_1jjd 1
1 . 8 . 1 1 4 THR HG1 H 8.392 13.950 1.010 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR HG1 . . rr_1jjd 1
1 . 9 . 1 1 4 THR HG21 H 9.813 15.599 2.340 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR HG21 . . rr_1jjd 1
1 . 10 . 1 1 4 THR HG22 H 9.384 15.757 4.071 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR HG22 . . rr_1jjd 1
1 . 11 . 1 1 4 THR HG23 H 8.301 16.416 2.808 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR HG23 . . rr_1jjd 1
1 . 12 . 1 1 4 THR N N 10.438 13.106 2.860 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR N . . rr_1jjd 1
1 . 13 . 1 1 4 THR O O 8.695 11.417 1.791 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR O . . rr_1jjd 1
1 . 14 . 1 1 4 THR OG1 O 7.704 14.037 1.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 THR OG1 . . rr_1jjd 1
1 . 15 . 1 1 5 LEU C C 5.670 10.173 2.742 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU C . . rr_1jjd 1
1 . 16 . 1 1 5 LEU CA C 7.028 9.808 3.287 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU CA . . rr_1jjd 1
1 . 17 . 1 1 5 LEU CB C 6.842 8.758 4.410 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU CB . . rr_1jjd 1
1 . 18 . 1 1 5 LEU CD1 C 8.118 7.790 6.411 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU CD1 . . rr_1jjd 1
1 . 19 . 1 1 5 LEU CD2 C 8.645 6.972 4.055 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU CD2 . . rr_1jjd 1
1 . 20 . 1 1 5 LEU CG C 8.203 8.191 4.913 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU CG . . rr_1jjd 1
1 . 21 . 1 1 5 LEU H H 7.494 11.328 4.707 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU H . . rr_1jjd 1
1 . 22 . 1 1 5 LEU HA H 7.624 9.345 2.484 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU HA . . rr_1jjd 1
1 . 23 . 1 1 5 LEU HB2 H 6.292 9.254 5.225 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU HB2 . . rr_1jjd 1
1 . 24 . 1 1 5 LEU HB3 H 6.218 7.935 4.025 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU HB3 . . rr_1jjd 1
1 . 25 . 1 1 5 LEU HD11 H 7.353 7.016 6.564 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU HD11 . . rr_1jjd 1
1 . 26 . 1 1 5 LEU HD12 H 7.863 8.665 7.029 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU HD12 . . rr_1jjd 1
1 . 27 . 1 1 5 LEU HD13 H 9.086 7.397 6.757 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU HD13 . . rr_1jjd 1
1 . 28 . 1 1 5 LEU HD21 H 8.701 7.232 2.988 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU HD21 . . rr_1jjd 1
1 . 29 . 1 1 5 LEU HD22 H 7.930 6.145 4.168 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU HD22 . . rr_1jjd 1
1 . 30 . 1 1 5 LEU HD23 H 9.635 6.615 4.379 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU HD23 . . rr_1jjd 1
1 . 31 . 1 1 5 LEU HG H 8.975 8.977 4.834 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU HG . . rr_1jjd 1
1 . 32 . 1 1 5 LEU N N 7.688 11.022 3.773 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU N . . rr_1jjd 1
1 . 33 . 1 1 5 LEU O O 5.130 11.183 3.164 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LEU O . . rr_1jjd 1
1 . 34 . 1 1 6 VAL C C 2.903 8.412 1.684 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL C . . rr_1jjd 1
1 . 35 . 1 1 6 VAL CA C 3.785 9.571 1.263 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL CA . . rr_1jjd 1
1 . 36 . 1 1 6 VAL CB C 3.806 9.897 -0.266 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL CB . . rr_1jjd 1
1 . 37 . 1 1 6 VAL CG1 C 5.253 9.965 -0.814 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL CG1 . . rr_1jjd 1
1 . 38 . 1 1 6 VAL CG2 C 3.023 8.874 -1.125 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL CG2 . . rr_1jjd 1
1 . 39 . 1 1 6 VAL H H 5.602 8.523 1.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL H . . rr_1jjd 1
1 . 40 . 1 1 6 VAL HA H 3.343 10.449 1.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL HA . . rr_1jjd 1
1 . 41 . 1 1 6 VAL HB H 3.355 10.886 -0.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL HB . . rr_1jjd 1
1 . 42 . 1 1 6 VAL HG11 H 5.669 8.954 -0.738 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL HG11 . . rr_1jjd 1
1 . 43 . 1 1 6 VAL HG12 H 5.880 10.661 -0.241 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL HG12 . . rr_1jjd 1
1 . 44 . 1 1 6 VAL HG13 H 5.279 10.275 -1.870 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL HG13 . . rr_1jjd 1
1 . 45 . 1 1 6 VAL HG21 H 1.949 8.893 -0.898 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL HG21 . . rr_1jjd 1
1 . 46 . 1 1 6 VAL HG22 H 3.408 7.856 -0.974 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL HG22 . . rr_1jjd 1
1 . 47 . 1 1 6 VAL HG23 H 3.151 9.132 -2.183 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL HG23 . . rr_1jjd 1
1 . 48 . 1 1 6 VAL N N 5.129 9.360 1.803 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL N . . rr_1jjd 1
1 . 49 . 1 1 6 VAL O O 3.430 7.354 1.986 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 VAL O . . rr_1jjd 1
1 . 50 . 1 1 7 LYS C C 0.766 6.349 1.045 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS C . . rr_1jjd 1
1 . 51 . 1 1 7 LYS CA C 0.654 7.487 2.037 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS CA . . rr_1jjd 1
1 . 52 . 1 1 7 LYS CB C -0.822 7.999 2.193 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS CB . . rr_1jjd 1
1 . 53 . 1 1 7 LYS CD C -2.203 9.381 3.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS CD . . rr_1jjd 1
1 . 54 . 1 1 7 LYS CE C -3.622 9.146 3.351 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS CE . . rr_1jjd 1
1 . 55 . 1 1 7 LYS CG C -1.201 8.219 3.689 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS CG . . rr_1jjd 1
1 . 56 . 1 1 7 LYS H H 1.196 9.494 1.476 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS H . . rr_1jjd 1
1 . 57 . 1 1 7 LYS HA H 0.990 7.027 2.982 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS HA . . rr_1jjd 1
1 . 58 . 1 1 7 LYS HB2 H -0.962 8.931 1.631 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS HB2 . . rr_1jjd 1
1 . 59 . 1 1 7 LYS HB3 H -1.549 7.303 1.750 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS HB3 . . rr_1jjd 1
1 . 60 . 1 1 7 LYS HD2 H -2.309 9.534 5.019 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS HD2 . . rr_1jjd 1
1 . 61 . 1 1 7 LYS HD3 H -1.781 10.305 3.508 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS HD3 . . rr_1jjd 1
1 . 62 . 1 1 7 LYS HE2 H -3.562 8.927 2.273 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS HE2 . . rr_1jjd 1
1 . 63 . 1 1 7 LYS HE3 H -4.079 8.274 3.849 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS HE3 . . rr_1jjd 1
1 . 64 . 1 1 7 LYS HG2 H -1.595 7.280 4.113 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS HG2 . . rr_1jjd 1
1 . 65 . 1 1 7 LYS HG3 H -0.301 8.487 4.264 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS HG3 . . rr_1jjd 1
1 . 66 . 1 1 7 LYS HZ1 H -4.097 11.198 3.014 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS HZ1 . . rr_1jjd 1
1 . 67 . 1 1 7 LYS HZ2 H -4.507 10.639 4.605 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS HZ2 . . rr_1jjd 1
1 . 68 . 1 1 7 LYS HZ3 H -5.490 10.187 3.244 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS HZ3 . . rr_1jjd 1
1 . 69 . 1 1 7 LYS N N 1.565 8.595 1.718 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS N . . rr_1jjd 1
1 . 70 . 1 1 7 LYS NZ N -4.468 10.344 3.565 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS NZ . . rr_1jjd 1
1 . 71 . 1 1 7 LYS O O 1.515 6.440 0.086 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 LYS O . . rr_1jjd 1
1 . 72 . 1 1 8 CYS C C -1.454 4.369 -0.370 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 CYS C . . rr_1jjd 1
1 . 73 . 1 1 8 CYS CA C -0.122 4.170 0.317 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 CYS CA . . rr_1jjd 1
1 . 74 . 1 1 8 CYS CB C -0.091 2.808 1.082 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 CYS CB . . rr_1jjd 1
1 . 75 . 1 1 8 CYS H H -0.569 5.202 2.106 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 CYS H . . rr_1jjd 1
1 . 76 . 1 1 8 CYS HA H 0.679 4.171 -0.437 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 CYS HA . . rr_1jjd 1
1 . 77 . 1 1 8 CYS HB2 H 0.917 2.620 1.482 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 CYS HB2 . . rr_1jjd 1
1 . 78 . 1 1 8 CYS HB3 H -0.797 2.833 1.924 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 CYS HB3 . . rr_1jjd 1
1 . 79 . 1 1 8 CYS N N -0.019 5.271 1.273 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 CYS N . . rr_1jjd 1
1 . 80 . 1 1 8 CYS O O -2.269 5.133 0.122 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 CYS O . . rr_1jjd 1
1 . 81 . 1 1 8 CYS SG S -0.602 1.407 0.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 CYS SG . . rr_1jjd 1
1 . 82 . 1 1 9 ALA C C -4.184 3.230 -1.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 ALA C . . rr_1jjd 1
1 . 83 . 1 1 9 ALA CA C -2.975 3.902 -2.228 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 ALA CA . . rr_1jjd 1
1 . 84 . 1 1 9 ALA CB C -2.819 3.174 -3.587 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 ALA CB . . rr_1jjd 1
1 . 85 . 1 1 9 ALA H H -0.999 3.136 -1.934 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 ALA H . . rr_1jjd 1
1 . 86 . 1 1 9 ALA HA H -3.156 4.977 -2.390 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 ALA HA . . rr_1jjd 1
1 . 87 . 1 1 9 ALA HB1 H -3.714 3.252 -4.219 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 ALA HB1 . . rr_1jjd 1
1 . 88 . 1 1 9 ALA HB2 H -2.629 2.109 -3.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 ALA HB2 . . rr_1jjd 1
1 . 89 . 1 1 9 ALA HB3 H -1.954 3.598 -4.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 ALA HB3 . . rr_1jjd 1
1 . 90 . 1 1 9 ALA N N -1.721 3.681 -1.502 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 ALA N . . rr_1jjd 1
1 . 91 . 1 1 9 ALA O O -5.245 3.310 -2.216 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 ALA O . . rr_1jjd 1
1 . 92 . 1 1 10 CYS C C -5.671 2.986 1.242 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 CYS C . . rr_1jjd 1
1 . 93 . 1 1 10 CYS CA C -5.237 1.974 0.199 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 CYS CA . . rr_1jjd 1
1 . 94 . 1 1 10 CYS CB C -4.842 0.624 0.866 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 CYS CB . . rr_1jjd 1
1 . 95 . 1 1 10 CYS H H -3.209 2.586 0.071 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 CYS H . . rr_1jjd 1
1 . 96 . 1 1 10 CYS HA H -6.050 1.762 -0.513 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 CYS HA . . rr_1jjd 1
1 . 97 . 1 1 10 CYS HB2 H -3.754 0.558 0.979 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 CYS HB2 . . rr_1jjd 1
1 . 98 . 1 1 10 CYS HB3 H -5.351 0.547 1.834 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 CYS HB3 . . rr_1jjd 1
1 . 99 . 1 1 10 CYS N N -4.072 2.591 -0.433 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 CYS N . . rr_1jjd 1
1 . 100 . 1 1 10 CYS O O -4.836 3.352 2.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 CYS O . . rr_1jjd 1
1 . 101 . 1 1 10 CYS SG S -5.266 -0.907 -0.014 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 CYS SG . . rr_1jjd 1
1 . 102 . 1 1 11 GLU C C -7.096 3.832 3.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU C . . rr_1jjd 1
1 . 103 . 1 1 11 GLU CA C -7.374 4.411 2.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU CA . . rr_1jjd 1
1 . 104 . 1 1 11 GLU CB C -8.865 4.872 2.177 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU CB . . rr_1jjd 1
1 . 105 . 1 1 11 GLU CD C -10.462 6.711 1.459 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU CD . . rr_1jjd 1
1 . 106 . 1 1 11 GLU CG C -9.014 6.303 1.589 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU CG . . rr_1jjd 1
1 . 107 . 1 1 11 GLU H H -7.611 3.158 0.581 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU H . . rr_1jjd 1
1 . 108 . 1 1 11 GLU HA H -6.734 5.302 2.161 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU HA . . rr_1jjd 1
1 . 109 . 1 1 11 GLU HB2 H -9.448 4.170 1.562 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU HB2 . . rr_1jjd 1
1 . 110 . 1 1 11 GLU HB3 H -9.328 4.893 3.178 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU HB3 . . rr_1jjd 1
1 . 111 . 1 1 11 GLU HG2 H -8.497 7.020 2.250 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU HG2 . . rr_1jjd 1
1 . 112 . 1 1 11 GLU HG3 H -8.546 6.351 0.593 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU HG3 . . rr_1jjd 1
1 . 113 . 1 1 11 GLU N N -6.943 3.459 1.255 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU N . . rr_1jjd 1
1 . 114 . 1 1 11 GLU O O -6.378 4.489 4.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU O . . rr_1jjd 1
1 . 115 . 1 1 11 GLU OE1 O -11.275 5.889 0.955 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU OE1 . . rr_1jjd 1
1 . 116 . 1 1 11 GLU OE2 O -10.804 7.859 1.856 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 GLU OE2 . . rr_1jjd 1
1 . 117 . 1 1 12 PRO C C -5.890 1.738 5.644 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO C . . rr_1jjd 1
1 . 118 . 1 1 12 PRO CA C -7.320 2.184 5.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO CA . . rr_1jjd 1
1 . 119 . 1 1 12 PRO CB C -8.360 1.040 5.557 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO CB . . rr_1jjd 1
1 . 120 . 1 1 12 PRO CD C -8.486 1.816 3.245 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO CD . . rr_1jjd 1
1 . 121 . 1 1 12 PRO CG C -8.569 0.538 4.112 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO CG . . rr_1jjd 1
1 . 122 . 1 1 12 PRO HA H -7.550 3.000 6.111 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO HA . . rr_1jjd 1
1 . 123 . 1 1 12 PRO HB2 H -8.061 0.223 6.237 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO HB2 . . rr_1jjd 1
1 . 124 . 1 1 12 PRO HB3 H -9.317 1.462 5.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO HB3 . . rr_1jjd 1
1 . 125 . 1 1 12 PRO HD2 H -8.094 1.557 2.251 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO HD2 . . rr_1jjd 1
1 . 126 . 1 1 12 PRO HD3 H -9.479 2.282 3.161 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO HD3 . . rr_1jjd 1
1 . 127 . 1 1 12 PRO HG2 H -7.724 -0.111 3.844 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO HG2 . . rr_1jjd 1
1 . 128 . 1 1 12 PRO HG3 H -9.511 -0.027 3.988 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO HG3 . . rr_1jjd 1
1 . 129 . 1 1 12 PRO N N -7.602 2.640 4.061 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO N . . rr_1jjd 1
1 . 130 . 1 1 12 PRO O O -5.615 1.321 6.758 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 PRO O . . rr_1jjd 1
1 . 131 . 1 1 13 CYS C C -2.894 2.504 5.714 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 CYS C . . rr_1jjd 1
1 . 132 . 1 1 13 CYS CA C -3.575 1.426 4.904 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 CYS CA . . rr_1jjd 1
1 . 133 . 1 1 13 CYS CB C -2.874 1.012 3.579 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 CYS CB . . rr_1jjd 1
1 . 134 . 1 1 13 CYS H H -5.184 2.171 3.752 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 CYS H . . rr_1jjd 1
1 . 135 . 1 1 13 CYS HA H -3.594 0.527 5.519 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 CYS HA . . rr_1jjd 1
1 . 136 . 1 1 13 CYS HB2 H -3.476 0.209 3.149 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 CYS HB2 . . rr_1jjd 1
1 . 137 . 1 1 13 CYS HB3 H -2.812 1.865 2.890 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 CYS HB3 . . rr_1jjd 1
1 . 138 . 1 1 13 CYS N N -4.963 1.816 4.656 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 CYS N . . rr_1jjd 1
1 . 139 . 1 1 13 CYS O O -2.905 3.646 5.284 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 CYS O . . rr_1jjd 1
1 . 140 . 1 1 13 CYS SG S -1.251 0.215 3.721 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 CYS SG . . rr_1jjd 1
1 . 141 . 1 1 14 LEU C C -0.181 3.192 7.375 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU C . . rr_1jjd 1
1 . 142 . 1 1 14 LEU CA C -1.650 3.123 7.747 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU CA . . rr_1jjd 1
1 . 143 . 1 1 14 LEU CB C -1.815 2.722 9.248 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU CB . . rr_1jjd 1
1 . 144 . 1 1 14 LEU CD1 C -3.632 0.937 9.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU CD1 . . rr_1jjd 1
1 . 145 . 1 1 14 LEU CD2 C -3.619 3.148 11.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU CD2 . . rr_1jjd 1
1 . 146 . 1 1 14 LEU CG C -3.298 2.454 9.685 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU CG . . rr_1jjd 1
1 . 147 . 1 1 14 LEU H H -2.237 1.197 7.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU H . . rr_1jjd 1
1 . 148 . 1 1 14 LEU HA H -2.092 4.126 7.615 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU HA . . rr_1jjd 1
1 . 149 . 1 1 14 LEU HB2 H -1.205 1.827 9.449 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU HB2 . . rr_1jjd 1
1 . 150 . 1 1 14 LEU HB3 H -1.387 3.540 9.851 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU HB3 . . rr_1jjd 1
1 . 151 . 1 1 14 LEU HD11 H -2.983 0.477 10.589 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU HD11 . . rr_1jjd 1
1 . 152 . 1 1 14 LEU HD12 H -3.502 0.389 8.888 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU HD12 . . rr_1jjd 1
1 . 153 . 1 1 14 LEU HD13 H -4.678 0.794 10.142 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU HD13 . . rr_1jjd 1
1 . 154 . 1 1 14 LEU HD21 H -3.474 4.237 10.961 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU HD21 . . rr_1jjd 1
1 . 155 . 1 1 14 LEU HD22 H -2.959 2.762 11.833 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU HD22 . . rr_1jjd 1
1 . 156 . 1 1 14 LEU HD23 H -4.663 2.969 11.341 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU HD23 . . rr_1jjd 1
1 . 157 . 1 1 14 LEU HG H -3.979 2.886 8.931 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU HG . . rr_1jjd 1
1 . 158 . 1 1 14 LEU N N -2.322 2.150 6.895 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU N . . rr_1jjd 1
1 . 159 . 1 1 14 LEU O O 0.575 3.802 8.115 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 LEU O . . rr_1jjd 1
1 . 160 . 1 1 15 CYS C C 2.162 3.747 5.355 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 CYS C . . rr_1jjd 1
1 . 161 . 1 1 15 CYS CA C 1.691 2.461 5.974 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 CYS CA . . rr_1jjd 1
1 . 162 . 1 1 15 CYS CB C 2.028 1.287 5.018 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 CYS CB . . rr_1jjd 1
1 . 163 . 1 1 15 CYS H H -0.351 2.142 5.597 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 CYS H . . rr_1jjd 1
1 . 164 . 1 1 15 CYS HA H 2.219 2.264 6.924 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 CYS HA . . rr_1jjd 1
1 . 165 . 1 1 15 CYS HB2 H 1.622 1.462 4.010 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 CYS HB2 . . rr_1jjd 1
1 . 166 . 1 1 15 CYS HB3 H 3.113 1.105 4.952 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 CYS HB3 . . rr_1jjd 1
1 . 167 . 1 1 15 CYS N N 0.263 2.553 6.264 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 CYS N . . rr_1jjd 1
1 . 168 . 1 1 15 CYS O O 1.389 4.363 4.639 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 CYS O . . rr_1jjd 1
1 . 169 . 1 1 15 CYS SG S 1.202 -0.148 5.744 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 CYS SG . . rr_1jjd 1
1 . 170 . 1 1 16 ASN C C 5.082 4.912 4.110 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN C . . rr_1jjd 1
1 . 171 . 1 1 16 ASN CA C 3.976 5.361 5.038 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN CA . . rr_1jjd 1
1 . 172 . 1 1 16 ASN CB C 4.466 6.248 6.211 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN CB . . rr_1jjd 1
1 . 173 . 1 1 16 ASN CG C 3.344 6.649 7.139 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN CG . . rr_1jjd 1
1 . 174 . 1 1 16 ASN H H 4.027 3.602 6.215 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN H . . rr_1jjd 1
1 . 175 . 1 1 16 ASN HA H 3.227 5.946 4.480 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN HA . . rr_1jjd 1
1 . 176 . 1 1 16 ASN HB2 H 5.231 5.710 6.794 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN HB2 . . rr_1jjd 1
1 . 177 . 1 1 16 ASN HB3 H 4.907 7.169 5.812 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN HB3 . . rr_1jjd 1
1 . 178 . 1 1 16 ASN HD21 H 4.601 7.705 8.373 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN HD21 . . rr_1jjd 1
1 . 179 . 1 1 16 ASN HD22 H 2.939 7.706 8.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN HD22 . . rr_1jjd 1
1 . 180 . 1 1 16 ASN N N 3.422 4.149 5.631 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN N . . rr_1jjd 1
1 . 181 . 1 1 16 ASN ND2 N 3.657 7.416 8.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN ND2 . . rr_1jjd 1
1 . 182 . 1 1 16 ASN O O 6.106 4.505 4.634 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN O . . rr_1jjd 1
1 . 183 . 1 1 16 ASN OD1 O 2.200 6.285 6.913 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 ASN OD1 . . rr_1jjd 1
1 . 184 . 1 1 17 VAL C C 6.484 5.627 1.017 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL C . . rr_1jjd 1
1 . 185 . 1 1 17 VAL CA C 5.936 4.486 1.838 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL CA . . rr_1jjd 1
1 . 186 . 1 1 17 VAL CB C 5.409 3.307 0.973 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL CB . . rr_1jjd 1
1 . 187 . 1 1 17 VAL CG1 C 4.776 2.249 1.910 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL CG1 . . rr_1jjd 1
1 . 188 . 1 1 17 VAL CG2 C 4.399 3.745 -0.127 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL CG2 . . rr_1jjd 1
1 . 189 . 1 1 17 VAL H H 4.046 5.292 2.370 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL H . . rr_1jjd 1
1 . 190 . 1 1 17 VAL HA H 6.809 4.103 2.393 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL HA . . rr_1jjd 1
1 . 191 . 1 1 17 VAL HB H 6.267 2.828 0.469 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL HB . . rr_1jjd 1
1 . 192 . 1 1 17 VAL HG11 H 3.762 2.548 2.218 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL HG11 . . rr_1jjd 1
1 . 193 . 1 1 17 VAL HG12 H 5.385 2.075 2.808 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL HG12 . . rr_1jjd 1
1 . 194 . 1 1 17 VAL HG13 H 4.731 1.305 1.363 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL HG13 . . rr_1jjd 1
1 . 195 . 1 1 17 VAL HG21 H 4.865 4.462 -0.820 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL HG21 . . rr_1jjd 1
1 . 196 . 1 1 17 VAL HG22 H 3.502 4.212 0.303 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL HG22 . . rr_1jjd 1
1 . 197 . 1 1 17 VAL HG23 H 4.077 2.864 -0.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL HG23 . . rr_1jjd 1
1 . 198 . 1 1 17 VAL N N 4.895 4.941 2.765 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL N . . rr_1jjd 1
1 . 199 . 1 1 17 VAL O O 5.959 6.722 1.137 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL O . . rr_1jjd 1
1 . 200 . 1 1 18 ASP C C 7.824 6.099 -2.087 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASP C . . rr_1jjd 1
1 . 201 . 1 1 18 ASP CA C 8.127 6.432 -0.638 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASP CA . . rr_1jjd 1
1 . 202 . 1 1 18 ASP CB C 9.656 6.468 -0.337 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASP CB . . rr_1jjd 1
1 . 203 . 1 1 18 ASP CG C 10.204 7.864 -0.177 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASP CG . . rr_1jjd 1
1 . 204 . 1 1 18 ASP H H 7.928 4.464 0.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASP H . . rr_1jjd 1
1 . 205 . 1 1 18 ASP HA H 7.686 7.403 -0.377 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASP HA . . rr_1jjd 1
1 . 206 . 1 1 18 ASP HB2 H 9.858 5.971 0.626 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASP HB2 . . rr_1jjd 1
1 . 207 . 1 1 18 ASP HB3 H 10.212 5.913 -1.109 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASP HB3 . . rr_1jjd 1
1 . 208 . 1 1 18 ASP N N 7.529 5.380 0.188 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASP N . . rr_1jjd 1
1 . 209 . 1 1 18 ASP O O 7.628 4.921 -2.337 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASP O . . rr_1jjd 1
1 . 210 . 1 1 18 ASP OD1 O 9.679 8.610 0.695 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASP OD1 . . rr_1jjd 1
1 . 211 . 1 1 18 ASP OD2 O 11.163 8.226 -0.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 ASP OD2 . . rr_1jjd 1
1 . 212 . 1 1 19 PRO C C 8.728 6.254 -5.187 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO C . . rr_1jjd 1
1 . 213 . 1 1 19 PRO CA C 7.461 6.628 -4.444 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO CA . . rr_1jjd 1
1 . 214 . 1 1 19 PRO CB C 6.877 7.975 -4.927 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO CB . . rr_1jjd 1
1 . 215 . 1 1 19 PRO CD C 8.064 8.436 -2.862 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO CD . . rr_1jjd 1
1 . 216 . 1 1 19 PRO CG C 7.814 9.015 -4.276 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO CG . . rr_1jjd 1
1 . 217 . 1 1 19 PRO HA H 6.714 5.823 -4.518 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO HA . . rr_1jjd 1
1 . 218 . 1 1 19 PRO HB2 H 6.812 8.060 -6.024 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO HB2 . . rr_1jjd 1
1 . 219 . 1 1 19 PRO HB3 H 5.874 8.116 -4.494 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO HB3 . . rr_1jjd 1
1 . 220 . 1 1 19 PRO HD2 H 9.089 8.619 -2.514 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO HD2 . . rr_1jjd 1
1 . 221 . 1 1 19 PRO HD3 H 7.357 8.884 -2.166 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO HD3 . . rr_1jjd 1
1 . 222 . 1 1 19 PRO HG2 H 8.746 9.031 -4.857 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO HG2 . . rr_1jjd 1
1 . 223 . 1 1 19 PRO HG3 H 7.390 10.034 -4.259 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO HG3 . . rr_1jjd 1
1 . 224 . 1 1 19 PRO N N 7.768 7.027 -3.078 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO N . . rr_1jjd 1
1 . 225 . 1 1 19 PRO O O 8.618 5.871 -6.341 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 PRO O . . rr_1jjd 1
1 . 226 . 1 1 20 SER C C 11.397 4.431 -4.923 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 SER C . . rr_1jjd 1
1 . 227 . 1 1 20 SER CA C 11.168 5.909 -5.192 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 SER CA . . rr_1jjd 1
1 . 228 . 1 1 20 SER CB C 12.347 6.700 -4.555 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 SER CB . . rr_1jjd 1
1 . 229 . 1 1 20 SER H H 10.006 6.669 -3.613 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 SER H . . rr_1jjd 1
1 . 230 . 1 1 20 SER HA H 11.136 6.119 -6.273 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 SER HA . . rr_1jjd 1
1 . 231 . 1 1 20 SER HB2 H 12.118 7.778 -4.528 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 SER HB2 . . rr_1jjd 1
1 . 232 . 1 1 20 SER HB3 H 12.479 6.356 -3.519 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 SER HB3 . . rr_1jjd 1
1 . 233 . 1 1 20 SER HG H 13.561 6.811 -6.151 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 SER HG . . rr_1jjd 1
1 . 234 . 1 1 20 SER N N 9.924 6.332 -4.549 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 SER N . . rr_1jjd 1
1 . 235 . 1 1 20 SER O O 12.095 3.804 -5.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 SER O . . rr_1jjd 1
1 . 236 . 1 1 20 SER OG O 13.588 6.498 -5.247 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 SER OG . . rr_1jjd 1
1 . 237 . 1 1 21 LYS C C 9.766 1.635 -3.645 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS C . . rr_1jjd 1
1 . 238 . 1 1 21 LYS CA C 11.025 2.463 -3.460 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS CA . . rr_1jjd 1
1 . 239 . 1 1 21 LYS CB C 11.304 2.478 -1.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS CB . . rr_1jjd 1
1 . 240 . 1 1 21 LYS CD C 13.528 1.151 -1.731 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS CD . . rr_1jjd 1
1 . 241 . 1 1 21 LYS CE C 14.374 0.321 -0.706 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS CE . . rr_1jjd 1
1 . 242 . 1 1 21 LYS CG C 12.011 1.216 -1.371 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS CG . . rr_1jjd 1
1 . 243 . 1 1 21 LYS H H 10.286 4.421 -3.198 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS H . . rr_1jjd 1
1 . 244 . 1 1 21 LYS HA H 11.874 2.021 -4.003 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS HA . . rr_1jjd 1
1 . 245 . 1 1 21 LYS HB2 H 11.918 3.351 -1.678 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS HB2 . . rr_1jjd 1
1 . 246 . 1 1 21 LYS HB3 H 10.346 2.612 -1.407 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS HB3 . . rr_1jjd 1
1 . 247 . 1 1 21 LYS HD2 H 13.635 0.759 -2.761 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS HD2 . . rr_1jjd 1
1 . 248 . 1 1 21 LYS HD3 H 13.935 2.172 -1.756 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS HD3 . . rr_1jjd 1
1 . 249 . 1 1 21 LYS HE2 H 13.739 -0.142 0.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS HE2 . . rr_1jjd 1
1 . 250 . 1 1 21 LYS HE3 H 14.893 -0.505 -1.224 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS HE3 . . rr_1jjd 1
1 . 251 . 1 1 21 LYS HG2 H 11.919 1.264 -0.276 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS HG2 . . rr_1jjd 1
1 . 252 . 1 1 21 LYS HG3 H 11.503 0.298 -1.708 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS HG3 . . rr_1jjd 1
1 . 253 . 1 1 21 LYS HZ1 H 14.942 2.008 0.464 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS HZ1 . . rr_1jjd 1
1 . 254 . 1 1 21 LYS HZ2 H 16.103 1.550 -0.710 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS HZ2 . . rr_1jjd 1
1 . 255 . 1 1 21 LYS HZ3 H 15.978 0.569 0.675 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS HZ3 . . rr_1jjd 1
1 . 256 . 1 1 21 LYS N N 10.813 3.864 -3.836 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS N . . rr_1jjd 1
1 . 257 . 1 1 21 LYS NZ N 15.387 1.151 -0.014 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS NZ . . rr_1jjd 1
1 . 258 . 1 1 21 LYS O O 9.884 0.437 -3.848 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 LYS O . . rr_1jjd 1
1 . 259 . 1 1 22 ALA C C 7.036 0.853 -4.907 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ALA C . . rr_1jjd 1
1 . 260 . 1 1 22 ALA CA C 7.326 1.419 -3.538 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ALA CA . . rr_1jjd 1
1 . 261 . 1 1 22 ALA CB C 6.144 2.300 -3.047 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ALA CB . . rr_1jjd 1
1 . 262 . 1 1 22 ALA H H 8.436 3.215 -3.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ALA H . . rr_1jjd 1
1 . 263 . 1 1 22 ALA HA H 7.458 0.584 -2.830 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ALA HA . . rr_1jjd 1
1 . 264 . 1 1 22 ALA HB1 H 5.203 1.748 -2.947 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ALA HB1 . . rr_1jjd 1
1 . 265 . 1 1 22 ALA HB2 H 5.985 3.125 -3.755 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ALA HB2 . . rr_1jjd 1
1 . 266 . 1 1 22 ALA HB3 H 6.392 2.713 -2.062 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ALA HB3 . . rr_1jjd 1
1 . 267 . 1 1 22 ALA N N 8.546 2.225 -3.572 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ALA N . . rr_1jjd 1
1 . 268 . 1 1 22 ALA O O 7.751 1.168 -5.845 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ALA O . . rr_1jjd 1
1 . 269 . 1 1 23 ILE C C 4.733 0.422 -6.939 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE C . . rr_1jjd 1
1 . 270 . 1 1 23 ILE CA C 5.654 -0.595 -6.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE CA . . rr_1jjd 1
1 . 271 . 1 1 23 ILE CB C 4.988 -1.989 -6.086 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE CB . . rr_1jjd 1
1 . 272 . 1 1 23 ILE CD1 C 5.201 -4.073 -4.553 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE CD1 . . rr_1jjd 1
1 . 273 . 1 1 23 ILE CG1 C 5.950 -2.935 -5.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE CG1 . . rr_1jjd 1
1 . 274 . 1 1 23 ILE CG2 C 4.556 -2.622 -7.441 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE CG2 . . rr_1jjd 1
1 . 275 . 1 1 23 ILE H H 5.387 -0.188 -4.244 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE H . . rr_1jjd 1
1 . 276 . 1 1 23 ILE HA H 6.551 -0.753 -6.930 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE HA . . rr_1jjd 1
1 . 277 . 1 1 23 ILE HB H 4.084 -1.837 -5.475 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE HB . . rr_1jjd 1
1 . 278 . 1 1 23 ILE HD11 H 4.637 -4.714 -5.246 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE HD11 . . rr_1jjd 1
1 . 279 . 1 1 23 ILE HD12 H 4.501 -3.645 -3.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE HD12 . . rr_1jjd 1
1 . 280 . 1 1 23 ILE HD13 H 5.923 -4.705 -4.011 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE HD13 . . rr_1jjd 1
1 . 281 . 1 1 23 ILE HG12 H 6.695 -3.363 -5.989 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE HG12 . . rr_1jjd 1
1 . 282 . 1 1 23 ILE HG13 H 6.504 -2.371 -4.531 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE HG13 . . rr_1jjd 1
1 . 283 . 1 1 23 ILE HG21 H 5.433 -2.767 -8.090 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE HG21 . . rr_1jjd 1
1 . 284 . 1 1 23 ILE HG22 H 3.840 -1.978 -7.972 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE HG22 . . rr_1jjd 1
1 . 285 . 1 1 23 ILE HG23 H 4.072 -3.597 -7.286 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE HG23 . . rr_1jjd 1
1 . 286 . 1 1 23 ILE N N 5.978 0.018 -5.027 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE N . . rr_1jjd 1
1 . 287 . 1 1 23 ILE O O 3.524 0.267 -6.869 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 ILE O . . rr_1jjd 1
1 . 288 . 1 1 24 ASP C C 4.178 2.206 -9.531 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ASP C . . rr_1jjd 1
1 . 289 . 1 1 24 ASP CA C 4.483 2.560 -8.094 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ASP CA . . rr_1jjd 1
1 . 290 . 1 1 24 ASP CB C 5.149 3.959 -7.966 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ASP CB . . rr_1jjd 1
1 . 291 . 1 1 24 ASP CG C 6.517 3.990 -8.602 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ASP CG . . rr_1jjd 1
1 . 292 . 1 1 24 ASP H H 6.307 1.574 -7.607 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ASP H . . rr_1jjd 1
1 . 293 . 1 1 24 ASP HA H 3.552 2.617 -7.516 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ASP HA . . rr_1jjd 1
1 . 294 . 1 1 24 ASP HB2 H 4.503 4.717 -8.438 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ASP HB2 . . rr_1jjd 1
1 . 295 . 1 1 24 ASP HB3 H 5.246 4.219 -6.898 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ASP HB3 . . rr_1jjd 1
1 . 296 . 1 1 24 ASP N N 5.311 1.493 -7.537 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ASP N . . rr_1jjd 1
1 . 297 . 1 1 24 ASP O O 5.119 1.962 -10.270 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ASP O . . rr_1jjd 1
1 . 298 . 1 1 24 ASP OD1 O 7.506 3.642 -7.899 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ASP OD1 . . rr_1jjd 1
1 . 299 . 1 1 24 ASP OD2 O 6.614 4.358 -9.805 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 ASP OD2 . . rr_1jjd 1
1 . 300 . 1 1 25 ARG C C 2.528 2.999 -12.182 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG C . . rr_1jjd 1
1 . 301 . 1 1 25 ARG CA C 2.549 1.764 -11.309 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG CA . . rr_1jjd 1
1 . 302 . 1 1 25 ARG CB C 1.169 1.047 -11.406 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG CB . . rr_1jjd 1
1 . 303 . 1 1 25 ARG CD C -0.279 -0.985 -10.762 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG CD . . rr_1jjd 1
1 . 304 . 1 1 25 ARG CG C 1.134 -0.323 -10.671 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG CG . . rr_1jjd 1
1 . 305 . 1 1 25 ARG CZ C -1.658 -2.331 -12.290 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG CZ . . rr_1jjd 1
1 . 306 . 1 1 25 ARG H H 2.130 2.409 -9.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG H . . rr_1jjd 1
1 . 307 . 1 1 25 ARG HA H 3.298 1.056 -11.701 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG HA . . rr_1jjd 1
1 . 308 . 1 1 25 ARG HB2 H 0.393 1.689 -10.959 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG HB2 . . rr_1jjd 1
1 . 309 . 1 1 25 ARG HB3 H 0.910 0.892 -12.467 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG HB3 . . rr_1jjd 1
1 . 310 . 1 1 25 ARG HD2 H -0.427 -1.631 -9.881 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG HD2 . . rr_1jjd 1
1 . 311 . 1 1 25 ARG HD3 H -1.019 -0.172 -10.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG HD3 . . rr_1jjd 1
1 . 312 . 1 1 25 ARG HE H 0.344 -2.067 -12.507 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG HE . . rr_1jjd 1
1 . 313 . 1 1 25 ARG HG2 H 1.907 -0.997 -11.075 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG HG2 . . rr_1jjd 1
1 . 314 . 1 1 25 ARG HG3 H 1.381 -0.137 -9.612 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG HG3 . . rr_1jjd 1
1 . 315 . 1 1 25 ARG HH11 H -2.794 -1.503 -10.793 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG HH11 . . rr_1jjd 1
1 . 316 . 1 1 25 ARG HH12 H -3.671 -2.482 -11.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG HH12 . . rr_1jjd 1
1 . 317 . 1 1 25 ARG HH21 H -0.881 -3.353 -13.887 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG HH21 . . rr_1jjd 1
1 . 318 . 1 1 25 ARG HH22 H -2.621 -3.521 -13.652 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG HH22 . . rr_1jjd 1
1 . 319 . 1 1 25 ARG N N 2.885 2.160 -9.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG N . . rr_1jjd 1
1 . 320 . 1 1 25 ARG NE N -0.486 -1.839 -11.937 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG NE . . rr_1jjd 1
1 . 321 . 1 1 25 ARG NH1 N -2.773 -2.087 -11.637 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG NH1 . . rr_1jjd 1
1 . 322 . 1 1 25 ARG NH2 N -1.724 -3.113 -13.345 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG NH2 . . rr_1jjd 1
1 . 323 . 1 1 25 ARG O O 3.297 3.067 -13.128 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ARG O . . rr_1jjd 1
1 . 324 . 1 1 26 ASN C C 1.094 6.337 -11.986 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN C . . rr_1jjd 1
1 . 325 . 1 1 26 ASN CA C 1.418 5.096 -12.794 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN CA . . rr_1jjd 1
1 . 326 . 1 1 26 ASN CB C 0.256 4.636 -13.718 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN CB . . rr_1jjd 1
1 . 327 . 1 1 26 ASN CG C 0.191 5.437 -14.994 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN CG . . rr_1jjd 1
1 . 328 . 1 1 26 ASN H H 1.019 3.892 -11.109 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN H . . rr_1jjd 1
1 . 329 . 1 1 26 ASN HA H 2.315 5.315 -13.395 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN HA . . rr_1jjd 1
1 . 330 . 1 1 26 ASN HB2 H 0.414 3.581 -13.997 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN HB2 . . rr_1jjd 1
1 . 331 . 1 1 26 ASN HB3 H -0.704 4.679 -13.178 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN HB3 . . rr_1jjd 1
1 . 332 . 1 1 26 ASN HD21 H 1.741 4.407 -15.875 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN HD21 . . rr_1jjd 1
1 . 333 . 1 1 26 ASN HD22 H 1.035 5.644 -16.844 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN HD22 . . rr_1jjd 1
1 . 334 . 1 1 26 ASN N N 1.636 3.974 -11.887 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN N . . rr_1jjd 1
1 . 335 . 1 1 26 ASN ND2 N 1.063 5.136 -15.982 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN ND2 . . rr_1jjd 1
1 . 336 . 1 1 26 ASN O O 0.026 6.905 -12.153 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN O . . rr_1jjd 1
1 . 337 . 1 1 26 ASN OD1 O -0.642 6.323 -15.102 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 ASN OD1 . . rr_1jjd 1
1 . 338 . 1 1 27 GLY C C 1.097 7.393 -8.867 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY C . . rr_1jjd 1
1 . 339 . 1 1 27 GLY CA C 1.730 7.858 -10.163 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY CA . . rr_1jjd 1
1 . 340 . 1 1 27 GLY H H 2.888 6.268 -10.975 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY H . . rr_1jjd 1
1 . 341 . 1 1 27 GLY HA2 H 2.666 8.384 -9.914 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY HA2 . . rr_1jjd 1
1 . 342 . 1 1 27 GLY HA3 H 1.058 8.595 -10.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY HA3 . . rr_1jjd 1
1 . 343 . 1 1 27 GLY N N 2.017 6.755 -11.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY N . . rr_1jjd 1
1 . 344 . 1 1 27 GLY O O 0.929 8.225 -7.988 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLY O . . rr_1jjd 1
1 . 345 . 1 1 28 LEU C C 0.924 4.629 -6.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU C . . rr_1jjd 1
1 . 346 . 1 1 28 LEU CA C 0.013 5.588 -7.564 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CA . . rr_1jjd 1
1 . 347 . 1 1 28 LEU CB C -1.265 4.876 -8.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CB . . rr_1jjd 1
1 . 348 . 1 1 28 LEU CD1 C -2.764 5.537 -6.094 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CD1 . . rr_1jjd 1
1 . 349 . 1 1 28 LEU CD2 C -3.325 3.492 -7.508 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CD2 . . rr_1jjd 1
1 . 350 . 1 1 28 LEU CG C -2.177 4.362 -6.933 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CG . . rr_1jjd 1
1 . 351 . 1 1 28 LEU H H 0.926 5.424 -9.442 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU H . . rr_1jjd 1
1 . 352 . 1 1 28 LEU HA H -0.286 6.430 -6.923 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HA . . rr_1jjd 1
1 . 353 . 1 1 28 LEU HB2 H -1.833 5.573 -8.717 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HB2 . . rr_1jjd 1
1 . 354 . 1 1 28 LEU HB3 H -0.957 4.026 -8.711 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HB3 . . rr_1jjd 1
1 . 355 . 1 1 28 LEU HD11 H -3.148 6.326 -6.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD11 . . rr_1jjd 1
1 . 356 . 1 1 28 LEU HD12 H -2.007 5.974 -5.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD12 . . rr_1jjd 1
1 . 357 . 1 1 28 LEU HD13 H -3.602 5.209 -5.468 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD13 . . rr_1jjd 1
1 . 358 . 1 1 28 LEU HD21 H -2.914 2.698 -8.147 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD21 . . rr_1jjd 1
1 . 359 . 1 1 28 LEU HD22 H -4.007 4.112 -8.106 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD22 . . rr_1jjd 1
1 . 360 . 1 1 28 LEU HD23 H -3.897 3.018 -6.695 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD23 . . rr_1jjd 1
1 . 361 . 1 1 28 LEU HG H -1.554 3.699 -6.315 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HG . . rr_1jjd 1
1 . 362 . 1 1 28 LEU N N 0.723 6.095 -8.738 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU N . . rr_1jjd 1
1 . 363 . 1 1 28 LEU O O 1.402 3.706 -7.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU O . . rr_1jjd 1
1 . 364 . 1 1 29 TYR C C 1.547 2.869 -4.093 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR C . . rr_1jjd 1
1 . 365 . 1 1 29 TYR CA C 2.198 4.057 -4.763 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR CA . . rr_1jjd 1
1 . 366 . 1 1 29 TYR CB C 2.982 4.909 -3.716 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR CB . . rr_1jjd 1
1 . 367 . 1 1 29 TYR CD1 C 3.500 6.971 -5.104 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR CD1 . . rr_1jjd 1
1 . 368 . 1 1 29 TYR CD2 C 1.774 7.116 -3.415 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR CD2 . . rr_1jjd 1
1 . 369 . 1 1 29 TYR CE1 C 3.189 8.267 -5.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR CE1 . . rr_1jjd 1
1 . 370 . 1 1 29 TYR CE2 C 1.418 8.381 -3.883 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR CE2 . . rr_1jjd 1
1 . 371 . 1 1 29 TYR CG C 2.763 6.380 -4.077 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR CG . . rr_1jjd 1
1 . 372 . 1 1 29 TYR CZ C 2.127 8.965 -4.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR CZ . . rr_1jjd 1
1 . 373 . 1 1 29 TYR H H 0.648 5.503 -5.009 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR H . . rr_1jjd 1
1 . 374 . 1 1 29 TYR HA H 2.954 3.710 -5.483 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR HA . . rr_1jjd 1
1 . 375 . 1 1 29 TYR HB2 H 2.620 4.723 -2.693 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR HB2 . . rr_1jjd 1
1 . 376 . 1 1 29 TYR HB3 H 4.061 4.691 -3.714 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR HB3 . . rr_1jjd 1
1 . 377 . 1 1 29 TYR HD1 H 4.302 6.419 -5.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR HD1 . . rr_1jjd 1
1 . 378 . 1 1 29 TYR HD2 H 1.268 6.698 -2.552 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR HD2 . . rr_1jjd 1
1 . 379 . 1 1 29 TYR HE1 H 3.775 8.727 -6.312 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR HE1 . . rr_1jjd 1
1 . 380 . 1 1 29 TYR HE2 H 0.592 8.900 -3.412 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR HE2 . . rr_1jjd 1
1 . 381 . 1 1 29 TYR HH H 1.045 10.632 -4.988 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR HH . . rr_1jjd 1
1 . 382 . 1 1 29 TYR N N 1.201 4.843 -5.509 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR N . . rr_1jjd 1
1 . 383 . 1 1 29 TYR O O 0.568 3.122 -3.408 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR O . . rr_1jjd 1
1 . 384 . 1 1 29 TYR OH O 1.794 10.237 -5.421 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 TYR OH . . rr_1jjd 1
1 . 385 . 1 1 30 TYR C C 2.600 -0.011 -2.483 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR C . . rr_1jjd 1
1 . 386 . 1 1 30 TYR CA C 1.535 0.505 -3.419 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR CA . . rr_1jjd 1
1 . 387 . 1 1 30 TYR CB C 1.025 -0.680 -4.266 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR CB . . rr_1jjd 1
1 . 388 . 1 1 30 TYR CD1 C -1.416 -0.074 -4.503 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR CD1 . . rr_1jjd 1
1 . 389 . 1 1 30 TYR CD2 C -0.059 -0.017 -6.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR CD2 . . rr_1jjd 1
1 . 390 . 1 1 30 TYR CE1 C -2.565 0.148 -5.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR CE1 . . rr_1jjd 1
1 . 391 . 1 1 30 TYR CE2 C -1.201 0.245 -7.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR CE2 . . rr_1jjd 1
1 . 392 . 1 1 30 TYR CG C -0.174 -0.241 -5.114 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR CG . . rr_1jjd 1
1 . 393 . 1 1 30 TYR CZ C -2.465 0.245 -6.658 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR CZ . . rr_1jjd 1
1 . 394 . 1 1 30 TYR H H 2.820 1.437 -4.837 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR H . . rr_1jjd 1
1 . 395 . 1 1 30 TYR HA H 0.705 0.848 -2.783 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR HA . . rr_1jjd 1
1 . 396 . 1 1 30 TYR HB2 H 1.852 -1.064 -4.875 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR HB2 . . rr_1jjd 1
1 . 397 . 1 1 30 TYR HB3 H 0.703 -1.505 -3.614 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR HB3 . . rr_1jjd 1
1 . 398 . 1 1 30 TYR HD1 H -1.498 -0.125 -3.427 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR HD1 . . rr_1jjd 1
1 . 399 . 1 1 30 TYR HD2 H 0.909 -0.050 -6.971 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR HD2 . . rr_1jjd 1
1 . 400 . 1 1 30 TYR HE1 H -3.534 0.234 -4.790 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR HE1 . . rr_1jjd 1
1 . 401 . 1 1 30 TYR HE2 H -1.100 0.445 -8.313 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR HE2 . . rr_1jjd 1
1 . 402 . 1 1 30 TYR HH H -3.505 0.118 -8.338 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR HH . . rr_1jjd 1
1 . 403 . 1 1 30 TYR N N 2.038 1.614 -4.238 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR N . . rr_1jjd 1
1 . 404 . 1 1 30 TYR O O 3.705 -0.247 -2.945 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR O . . rr_1jjd 1
1 . 405 . 1 1 30 TYR OH O -3.632 0.335 -7.421 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 TYR OH . . rr_1jjd 1
1 . 406 . 1 1 31 CYS C C 3.692 -2.118 -0.701 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 CYS C . . rr_1jjd 1
1 . 407 . 1 1 31 CYS CA C 3.284 -0.725 -0.251 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 CYS CA . . rr_1jjd 1
1 . 408 . 1 1 31 CYS CB C 2.872 -0.551 1.251 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 CYS CB . . rr_1jjd 1
1 . 409 . 1 1 31 CYS H H 1.381 -0.068 -0.820 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 CYS H . . rr_1jjd 1
1 . 410 . 1 1 31 CYS HA H 4.176 -0.092 -0.385 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 CYS HA . . rr_1jjd 1
1 . 411 . 1 1 31 CYS HB2 H 3.714 -0.842 1.901 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 CYS HB2 . . rr_1jjd 1
1 . 412 . 1 1 31 CYS HB3 H 2.569 0.479 1.474 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 CYS HB3 . . rr_1jjd 1
1 . 413 . 1 1 31 CYS N N 2.298 -0.196 -1.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 CYS N . . rr_1jjd 1
1 . 414 . 1 1 31 CYS O O 4.821 -2.302 -1.131 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 CYS O . . rr_1jjd 1
1 . 415 . 1 1 31 CYS SG S 1.467 -1.553 1.776 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 CYS SG . . rr_1jjd 1
1 . 416 . 1 1 32 SER C C 2.420 -4.821 -2.278 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 SER C . . rr_1jjd 1
1 . 417 . 1 1 32 SER CA C 3.066 -4.503 -0.951 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 SER CA . . rr_1jjd 1
1 . 418 . 1 1 32 SER CB C 2.555 -5.423 0.190 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 SER CB . . rr_1jjd 1
1 . 419 . 1 1 32 SER H H 1.831 -2.904 -0.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 SER H . . rr_1jjd 1
1 . 420 . 1 1 32 SER HA H 4.151 -4.675 -1.053 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 SER HA . . rr_1jjd 1
1 . 421 . 1 1 32 SER HB2 H 3.064 -5.154 1.132 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 SER HB2 . . rr_1jjd 1
1 . 422 . 1 1 32 SER HB3 H 1.476 -5.261 0.331 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 SER HB3 . . rr_1jjd 1
1 . 423 . 1 1 32 SER HG H 3.666 -7.060 -0.135 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 SER HG . . rr_1jjd 1
1 . 424 . 1 1 32 SER N N 2.787 -3.117 -0.574 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 SER N . . rr_1jjd 1
1 . 425 . 1 1 32 SER O O 1.650 -4.006 -2.763 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 SER O . . rr_1jjd 1
1 . 426 . 1 1 32 SER OG O 2.746 -6.819 -0.095 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 SER OG . . rr_1jjd 1
1 . 427 . 1 1 33 GLU C C 0.370 -6.491 -3.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU C . . rr_1jjd 1
1 . 428 . 1 1 33 GLU CA C 1.804 -6.497 -3.928 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU CA . . rr_1jjd 1
1 . 429 . 1 1 33 GLU CB C 2.096 -7.955 -4.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU CB . . rr_1jjd 1
1 . 430 . 1 1 33 GLU CD C 3.370 -9.436 -6.027 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU CD . . rr_1jjd 1
1 . 431 . 1 1 33 GLU CG C 3.162 -8.029 -5.518 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU CG . . rr_1jjd 1
1 . 432 . 1 1 33 GLU H H 3.371 -6.635 -2.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU H . . rr_1jjd 1
1 . 433 . 1 1 33 GLU HA H 1.893 -5.805 -4.782 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU HA . . rr_1jjd 1
1 . 434 . 1 1 33 GLU HB2 H 2.392 -8.579 -3.535 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU HB2 . . rr_1jjd 1
1 . 435 . 1 1 33 GLU HB3 H 1.179 -8.395 -4.818 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU HB3 . . rr_1jjd 1
1 . 436 . 1 1 33 GLU HG2 H 2.831 -7.419 -6.375 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU HG2 . . rr_1jjd 1
1 . 437 . 1 1 33 GLU HG3 H 4.116 -7.623 -5.148 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU HG3 . . rr_1jjd 1
1 . 438 . 1 1 33 GLU N N 2.668 -6.022 -2.850 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU N . . rr_1jjd 1
1 . 439 . 1 1 33 GLU O O -0.494 -6.189 -4.251 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU O . . rr_1jjd 1
1 . 440 . 1 1 33 GLU OE1 O 2.595 -10.355 -5.643 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU OE1 . . rr_1jjd 1
1 . 441 . 1 1 33 GLU OE2 O 4.318 -9.636 -6.833 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 GLU OE2 . . rr_1jjd 1
1 . 442 . 1 1 34 ALA C C -2.101 -5.668 -1.996 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 ALA C . . rr_1jjd 1
1 . 443 . 1 1 34 ALA CA C -1.334 -6.953 -1.778 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 ALA CA . . rr_1jjd 1
1 . 444 . 1 1 34 ALA CB C -1.481 -7.331 -0.285 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 ALA CB . . rr_1jjd 1
1 . 445 . 1 1 34 ALA H H 0.784 -7.057 -1.511 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 ALA H . . rr_1jjd 1
1 . 446 . 1 1 34 ALA HA H -1.778 -7.764 -2.381 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 ALA HA . . rr_1jjd 1
1 . 447 . 1 1 34 ALA HB1 H -2.533 -7.545 -0.047 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 ALA HB1 . . rr_1jjd 1
1 . 448 . 1 1 34 ALA HB2 H -1.144 -6.484 0.326 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 ALA HB2 . . rr_1jjd 1
1 . 449 . 1 1 34 ALA HB3 H -0.880 -8.220 -0.038 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 ALA HB3 . . rr_1jjd 1
1 . 450 . 1 1 34 ALA N N 0.069 -6.820 -2.170 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 ALA N . . rr_1jjd 1
1 . 451 . 1 1 34 ALA O O -3.238 -5.753 -2.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 ALA O . . rr_1jjd 1
1 . 452 . 1 1 35 CYS C C -2.304 -2.995 -3.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 CYS C . . rr_1jjd 1
1 . 453 . 1 1 35 CYS CA C -2.266 -3.241 -1.991 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 CYS CA . . rr_1jjd 1
1 . 454 . 1 1 35 CYS CB C -1.672 -2.015 -1.242 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 CYS CB . . rr_1jjd 1
1 . 455 . 1 1 35 CYS H H -0.584 -4.417 -1.377 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 CYS H . . rr_1jjd 1
1 . 456 . 1 1 35 CYS HA H -3.301 -3.360 -1.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 CYS HA . . rr_1jjd 1
1 . 457 . 1 1 35 CYS HB2 H -0.649 -1.808 -1.587 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 CYS HB2 . . rr_1jjd 1
1 . 458 . 1 1 35 CYS HB3 H -2.297 -1.120 -1.381 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 CYS HB3 . . rr_1jjd 1
1 . 459 . 1 1 35 CYS N N -1.521 -4.474 -1.728 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 CYS N . . rr_1jjd 1
1 . 460 . 1 1 35 CYS O O -3.232 -2.332 -3.924 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 CYS O . . rr_1jjd 1
1 . 461 . 1 1 35 CYS SG S -1.601 -2.374 0.537 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 CYS SG . . rr_1jjd 1
1 . 462 . 1 1 36 ALA C C -2.445 -4.297 -6.352 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ALA C . . rr_1jjd 1
1 . 463 . 1 1 36 ALA CA C -1.428 -3.354 -5.749 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ALA CA . . rr_1jjd 1
1 . 464 . 1 1 36 ALA CB C -0.059 -3.635 -6.423 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ALA CB . . rr_1jjd 1
1 . 465 . 1 1 36 ALA H H -0.595 -4.062 -3.928 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ALA H . . rr_1jjd 1
1 . 466 . 1 1 36 ALA HA H -1.718 -2.322 -5.986 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ALA HA . . rr_1jjd 1
1 . 467 . 1 1 36 ALA HB1 H -0.100 -3.387 -7.495 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ALA HB1 . . rr_1jjd 1
1 . 468 . 1 1 36 ALA HB2 H 0.211 -4.696 -6.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ALA HB2 . . rr_1jjd 1
1 . 469 . 1 1 36 ALA HB3 H 0.730 -3.029 -5.955 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ALA HB3 . . rr_1jjd 1
1 . 470 . 1 1 36 ALA N N -1.362 -3.538 -4.297 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ALA N . . rr_1jjd 1
1 . 471 . 1 1 36 ALA O O -3.113 -3.900 -7.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ALA O . . rr_1jjd 1
1 . 472 . 1 1 37 ASP C C -4.998 -5.871 -5.737 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ASP C . . rr_1jjd 1
1 . 473 . 1 1 37 ASP CA C -3.691 -6.389 -6.291 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ASP CA . . rr_1jjd 1
1 . 474 . 1 1 37 ASP CB C -3.518 -7.842 -5.773 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ASP CB . . rr_1jjd 1
1 . 475 . 1 1 37 ASP CG C -2.241 -8.441 -6.302 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ASP CG . . rr_1jjd 1
1 . 476 . 1 1 37 ASP H H -2.041 -5.847 -5.061 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ASP H . . rr_1jjd 1
1 . 477 . 1 1 37 ASP HA H -3.716 -6.405 -7.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ASP HA . . rr_1jjd 1
1 . 478 . 1 1 37 ASP HB2 H -3.515 -7.850 -4.670 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ASP HB2 . . rr_1jjd 1
1 . 479 . 1 1 37 ASP HB3 H -4.359 -8.467 -6.112 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ASP HB3 . . rr_1jjd 1
1 . 480 . 1 1 37 ASP N N -2.609 -5.528 -5.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ASP N . . rr_1jjd 1
1 . 481 . 1 1 37 ASP O O -6.018 -6.069 -6.378 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ASP O . . rr_1jjd 1
1 . 482 . 1 1 37 ASP OD1 O -2.223 -8.847 -7.496 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ASP OD1 . . rr_1jjd 1
1 . 483 . 1 1 37 ASP OD2 O -1.248 -8.512 -5.531 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ASP OD2 . . rr_1jjd 1
1 . 484 . 1 1 38 GLY C C -6.780 -5.939 -3.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLY C . . rr_1jjd 1
1 . 485 . 1 1 38 GLY CA C -6.243 -4.807 -3.923 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLY CA . . rr_1jjd 1
1 . 486 . 1 1 38 GLY H H -4.149 -5.026 -4.050 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLY H . . rr_1jjd 1
1 . 487 . 1 1 38 GLY HA2 H -6.070 -3.942 -3.260 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLY HA2 . . rr_1jjd 1
1 . 488 . 1 1 38 GLY HA3 H -6.987 -4.496 -4.676 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLY HA3 . . rr_1jjd 1
1 . 489 . 1 1 38 GLY N N -4.992 -5.209 -4.555 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLY N . . rr_1jjd 1
1 . 490 . 1 1 38 GLY O O -7.988 -6.117 -3.056 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLY O . . rr_1jjd 1
1 . 491 . 1 1 39 HIS C C -7.471 -8.534 -2.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS C . . rr_1jjd 1
1 . 492 . 1 1 39 HIS CA C -6.381 -7.692 -1.414 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS CA . . rr_1jjd 1
1 . 493 . 1 1 39 HIS CB C -6.856 -6.904 -0.167 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS CB . . rr_1jjd 1
1 . 494 . 1 1 39 HIS CD2 C -5.734 -4.616 0.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS CD2 . . rr_1jjd 1
1 . 495 . 1 1 39 HIS CE1 C -4.026 -5.290 1.290 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS CE1 . . rr_1jjd 1
1 . 496 . 1 1 39 HIS CG C -5.783 -5.944 0.285 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS CG . . rr_1jjd 1
1 . 497 . 1 1 39 HIS H H -4.916 -6.541 -2.409 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS H . . rr_1jjd 1
1 . 498 . 1 1 39 HIS HA H -5.560 -8.370 -1.121 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS HA . . rr_1jjd 1
1 . 499 . 1 1 39 HIS HB2 H -7.753 -6.321 -0.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS HB2 . . rr_1jjd 1
1 . 500 . 1 1 39 HIS HB3 H -7.120 -7.588 0.657 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS HB3 . . rr_1jjd 1
1 . 501 . 1 1 39 HIS HD1 H -4.568 -7.286 1.328 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS HD1 . . rr_1jjd 1
1 . 502 . 1 1 39 HIS HD2 H -6.400 -3.973 -0.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS HD2 . . rr_1jjd 1
1 . 503 . 1 1 39 HIS HE1 H -3.120 -5.253 1.886 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS HE1 . . rr_1jjd 1
1 . 504 . 1 1 39 HIS N N -5.905 -6.694 -2.371 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS N . . rr_1jjd 1
1 . 505 . 1 1 39 HIS ND1 N -4.752 -6.323 1.008 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS ND1 . . rr_1jjd 1
1 . 506 . 1 1 39 HIS NE2 N -4.549 -4.278 0.776 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS NE2 . . rr_1jjd 1
1 . 507 . 1 1 39 HIS O O -8.528 -8.682 -1.439 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 HIS O . . rr_1jjd 1
1 . 508 . 1 1 40 THR C C -8.805 -10.916 -3.173 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR C . . rr_1jjd 1
1 . 509 . 1 1 40 THR CA C -8.312 -9.737 -3.974 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR CA . . rr_1jjd 1
1 . 510 . 1 1 40 THR CB C -7.878 -10.259 -5.373 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR CB . . rr_1jjd 1
1 . 511 . 1 1 40 THR CG2 C -7.647 -9.085 -6.363 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR CG2 . . rr_1jjd 1
1 . 512 . 1 1 40 THR H H -6.341 -8.962 -3.692 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR H . . rr_1jjd 1
1 . 513 . 1 1 40 THR HA H -9.137 -9.014 -4.100 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR HA . . rr_1jjd 1
1 . 514 . 1 1 40 THR HB H -8.685 -10.900 -5.779 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR HB . . rr_1jjd 1
1 . 515 . 1 1 40 THR HG1 H -6.366 -11.414 -6.007 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR HG1 . . rr_1jjd 1
1 . 516 . 1 1 40 THR HG21 H -7.334 -9.473 -7.343 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR HG21 . . rr_1jjd 1
1 . 517 . 1 1 40 THR HG22 H -6.861 -8.422 -5.981 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR HG22 . . rr_1jjd 1
1 . 518 . 1 1 40 THR HG23 H -8.570 -8.500 -6.496 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR HG23 . . rr_1jjd 1
1 . 519 . 1 1 40 THR N N -7.237 -9.059 -3.253 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR N . . rr_1jjd 1
1 . 520 . 1 1 40 THR O O -8.006 -11.527 -2.485 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR O . . rr_1jjd 1
1 . 521 . 1 1 40 THR OG1 O -6.680 -11.032 -5.192 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 THR OG1 . . rr_1jjd 1
1 . 522 . 1 1 41 GLY C C -10.404 -12.404 -1.106 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 GLY C . . rr_1jjd 1
1 . 523 . 1 1 41 GLY CA C -10.631 -12.445 -2.598 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 GLY CA . . rr_1jjd 1
1 . 524 . 1 1 41 GLY H H -10.751 -10.736 -3.846 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 GLY H . . rr_1jjd 1
1 . 525 . 1 1 41 GLY HA2 H -11.716 -12.551 -2.788 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 GLY HA2 . . rr_1jjd 1
1 . 526 . 1 1 41 GLY HA3 H -10.148 -13.339 -3.026 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 GLY HA3 . . rr_1jjd 1
1 . 527 . 1 1 41 GLY N N -10.113 -11.256 -3.269 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 GLY N . . rr_1jjd 1
1 . 528 . 1 1 41 GLY O O -11.295 -12.014 -0.370 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 GLY O . . rr_1jjd 1
1 . 529 . 1 1 42 GLY C C -8.868 -11.803 1.630 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLY C . . rr_1jjd 1
1 . 530 . 1 1 42 GLY CA C -9.001 -13.057 0.796 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLY CA . . rr_1jjd 1
1 . 531 . 1 1 42 GLY H H -8.471 -13.090 -1.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLY H . . rr_1jjd 1
1 . 532 . 1 1 42 GLY HA2 H -9.865 -13.590 1.209 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLY HA2 . . rr_1jjd 1
1 . 533 . 1 1 42 GLY HA3 H -8.114 -13.700 0.943 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLY HA3 . . rr_1jjd 1
1 . 534 . 1 1 42 GLY N N -9.215 -12.840 -0.633 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLY N . . rr_1jjd 1
1 . 535 . 1 1 42 GLY O O -9.123 -10.699 1.171 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLY O . . rr_1jjd 1
1 . 536 . 1 1 43 SER C C -7.826 -9.800 4.044 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER C . . rr_1jjd 1
1 . 537 . 1 1 43 SER CA C -8.728 -11.027 3.968 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER CA . . rr_1jjd 1
1 . 538 . 1 1 43 SER CB C -8.914 -11.761 5.327 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER CB . . rr_1jjd 1
1 . 539 . 1 1 43 SER H H -8.208 -12.928 3.218 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER H . . rr_1jjd 1
1 . 540 . 1 1 43 SER HA H -9.723 -10.616 3.762 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER HA . . rr_1jjd 1
1 . 541 . 1 1 43 SER HB2 H -7.941 -12.089 5.727 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER HB2 . . rr_1jjd 1
1 . 542 . 1 1 43 SER HB3 H -9.423 -11.110 6.057 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER HB3 . . rr_1jjd 1
1 . 543 . 1 1 43 SER HG H -9.835 -13.446 5.893 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER HG . . rr_1jjd 1
1 . 544 . 1 1 43 SER N N -8.501 -12.022 2.923 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER N . . rr_1jjd 1
1 . 545 . 1 1 43 SER O O -8.201 -8.754 3.549 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER O . . rr_1jjd 1
1 . 546 . 1 1 43 SER OG O -9.728 -12.931 5.101 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER OG . . rr_1jjd 1
1 . 547 . 1 1 44 LYS C C -5.069 -8.036 4.418 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS C . . rr_1jjd 1
1 . 548 . 1 1 44 LYS CA C -6.054 -8.697 5.329 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS CA . . rr_1jjd 1
1 . 549 . 1 1 44 LYS CB C -5.224 -8.875 6.641 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS CB . . rr_1jjd 1
1 . 550 . 1 1 44 LYS CD C -7.173 -9.939 8.008 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS CD . . rr_1jjd 1
1 . 551 . 1 1 44 LYS CE C -7.602 -11.229 8.768 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS CE . . rr_1jjd 1
1 . 552 . 1 1 44 LYS CG C -5.682 -10.017 7.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS CG . . rr_1jjd 1
1 . 553 . 1 1 44 LYS H H -6.243 -10.760 4.959 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS H . . rr_1jjd 1
1 . 554 . 1 1 44 LYS HA H -6.882 -8.001 5.553 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS HA . . rr_1jjd 1
1 . 555 . 1 1 44 LYS HB2 H -4.146 -9.076 6.464 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS HB2 . . rr_1jjd 1
1 . 556 . 1 1 44 LYS HB3 H -5.260 -7.891 7.148 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS HB3 . . rr_1jjd 1
1 . 557 . 1 1 44 LYS HD2 H -7.336 -9.057 8.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS HD2 . . rr_1jjd 1
1 . 558 . 1 1 44 LYS HD3 H -7.785 -9.810 7.110 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS HD3 . . rr_1jjd 1
1 . 559 . 1 1 44 LYS HE2 H -7.279 -12.117 8.201 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS HE2 . . rr_1jjd 1
1 . 560 . 1 1 44 LYS HE3 H -7.064 -11.267 9.731 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS HE3 . . rr_1jjd 1
1 . 561 . 1 1 44 LYS HG2 H -5.486 -10.991 7.133 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS HG2 . . rr_1jjd 1
1 . 562 . 1 1 44 LYS HG3 H -5.106 -10.005 8.540 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS HG3 . . rr_1jjd 1
1 . 563 . 1 1 44 LYS HZ1 H -9.519 -12.106 8.416 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS HZ1 . . rr_1jjd 1
1 . 564 . 1 1 44 LYS HZ2 H -9.307 -11.562 10.006 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS HZ2 . . rr_1jjd 1
1 . 565 . 1 1 44 LYS HZ3 H -9.611 -10.405 8.730 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS HZ3 . . rr_1jjd 1
1 . 566 . 1 1 44 LYS N N -6.671 -9.891 4.750 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS N . . rr_1jjd 1
1 . 567 . 1 1 44 LYS NZ N -9.069 -11.306 8.984 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS NZ . . rr_1jjd 1
1 . 568 . 1 1 44 LYS O O -4.512 -8.692 3.556 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 LYS O . . rr_1jjd 1
1 . 569 . 1 1 45 GLY C C -2.288 -6.683 3.979 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 GLY C . . rr_1jjd 1
1 . 570 . 1 1 45 GLY CA C -3.399 -6.345 4.936 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 GLY CA . . rr_1jjd 1
1 . 571 . 1 1 45 GLY H H -5.454 -6.183 5.206 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 GLY H . . rr_1jjd 1
1 . 572 . 1 1 45 GLY HA2 H -3.384 -5.248 4.981 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 GLY HA2 . . rr_1jjd 1
1 . 573 . 1 1 45 GLY HA3 H -3.114 -6.740 5.919 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 GLY HA3 . . rr_1jjd 1
1 . 574 . 1 1 45 GLY N N -4.783 -6.753 4.720 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 GLY N . . rr_1jjd 1
1 . 575 . 1 1 45 GLY O O -2.443 -7.382 2.993 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 GLY O . . rr_1jjd 1
1 . 576 . 1 1 46 CYS C C 1.255 -6.586 3.782 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 CYS C . . rr_1jjd 1
1 . 577 . 1 1 46 CYS CA C -0.020 -5.876 3.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 CYS CA . . rr_1jjd 1
1 . 578 . 1 1 46 CYS CB C 0.034 -4.358 3.077 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 CYS CB . . rr_1jjd 1
1 . 579 . 1 1 46 CYS H H -1.026 -5.677 5.238 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 CYS H . . rr_1jjd 1
1 . 580 . 1 1 46 CYS HA H -0.243 -6.381 2.453 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 CYS HA . . rr_1jjd 1
1 . 581 . 1 1 46 CYS HB2 H 0.953 -4.110 2.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 CYS HB2 . . rr_1jjd 1
1 . 582 . 1 1 46 CYS HB3 H -0.839 -4.089 2.466 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 CYS HB3 . . rr_1jjd 1
1 . 583 . 1 1 46 CYS N N -1.141 -6.048 4.315 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 CYS N . . rr_1jjd 1
1 . 584 . 1 1 46 CYS O O 2.313 -6.099 3.420 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 CYS O . . rr_1jjd 1
1 . 585 . 1 1 46 CYS SG S -0.100 -3.377 4.606 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 CYS SG . . rr_1jjd 1
1 . 586 . 1 1 47 GLY C C 3.327 -7.880 5.881 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLY C . . rr_1jjd 1
1 . 587 . 1 1 47 GLY CA C 2.459 -8.461 4.785 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLY CA . . rr_1jjd 1
1 . 588 . 1 1 47 GLY H H 0.347 -8.100 4.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLY H . . rr_1jjd 1
1 . 589 . 1 1 47 GLY HA2 H 2.203 -9.493 5.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLY HA2 . . rr_1jjd 1
1 . 590 . 1 1 47 GLY HA3 H 3.058 -8.528 3.866 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLY HA3 . . rr_1jjd 1
1 . 591 . 1 1 47 GLY N N 1.218 -7.729 4.503 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLY N . . rr_1jjd 1
1 . 592 . 1 1 47 GLY O O 4.211 -8.604 6.310 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLY O . . rr_1jjd 1
1 . 593 . 1 1 48 HIS C C 2.819 -5.933 8.610 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS C . . rr_1jjd 1
1 . 594 . 1 1 48 HIS CA C 3.853 -6.105 7.512 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS CA . . rr_1jjd 1
1 . 595 . 1 1 48 HIS CB C 4.799 -4.932 7.109 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS CB . . rr_1jjd 1
1 . 596 . 1 1 48 HIS CD2 C 3.156 -3.355 6.070 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS CD2 . . rr_1jjd 1
1 . 597 . 1 1 48 HIS CE1 C 3.941 -3.396 3.984 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS CE1 . . rr_1jjd 1
1 . 598 . 1 1 48 HIS CG C 4.232 -4.144 5.962 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS CG . . rr_1jjd 1
1 . 599 . 1 1 48 HIS H H 2.400 -6.047 5.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS H . . rr_1jjd 1
1 . 600 . 1 1 48 HIS HA H 4.498 -6.877 7.955 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS HA . . rr_1jjd 1
1 . 601 . 1 1 48 HIS HB2 H 5.000 -4.248 7.944 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS HB2 . . rr_1jjd 1
1 . 602 . 1 1 48 HIS HB3 H 5.769 -5.334 6.778 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS HB3 . . rr_1jjd 1
1 . 603 . 1 1 48 HIS HD1 H 5.510 -4.679 4.392 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS HD1 . . rr_1jjd 1
1 . 604 . 1 1 48 HIS HD2 H 2.525 -3.127 6.929 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS HD2 . . rr_1jjd 1
1 . 605 . 1 1 48 HIS HE1 H 4.033 -3.209 2.914 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS HE1 . . rr_1jjd 1
1 . 606 . 1 1 48 HIS N N 3.124 -6.627 6.352 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS N . . rr_1jjd 1
1 . 607 . 1 1 48 HIS ND1 N 4.694 -4.149 4.727 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS ND1 . . rr_1jjd 1
1 . 608 . 1 1 48 HIS NE2 N 3.046 -2.914 4.711 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS NE2 . . rr_1jjd 1
1 . 609 . 1 1 48 HIS O O 1.690 -6.350 8.406 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 HIS O . . rr_1jjd 1
1 . 610 . 1 1 49 THR C C 1.048 -5.019 11.136 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR C . . rr_1jjd 1
1 . 611 . 1 1 49 THR CA C 2.374 -5.742 10.993 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR CA . . rr_1jjd 1
1 . 612 . 1 1 49 THR CB C 3.176 -5.633 12.325 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR CB . . rr_1jjd 1
1 . 613 . 1 1 49 THR CG2 C 3.491 -4.174 12.747 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR CG2 . . rr_1jjd 1
1 . 614 . 1 1 49 THR H H 4.030 -4.922 9.924 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR H . . rr_1jjd 1
1 . 615 . 1 1 49 THR HA H 2.184 -6.826 10.906 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR HA . . rr_1jjd 1
1 . 616 . 1 1 49 THR HB H 4.098 -6.233 12.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR HB . . rr_1jjd 1
1 . 617 . 1 1 49 THR HG1 H 1.535 -5.845 13.493 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR HG1 . . rr_1jjd 1
1 . 618 . 1 1 49 THR HG21 H 2.576 -3.634 13.031 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR HG21 . . rr_1jjd 1
1 . 619 . 1 1 49 THR HG22 H 3.986 -3.614 11.942 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR HG22 . . rr_1jjd 1
1 . 620 . 1 1 49 THR HG23 H 4.161 -4.184 13.618 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR HG23 . . rr_1jjd 1
1 . 621 . 1 1 49 THR N N 3.166 -5.409 9.808 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR N . . rr_1jjd 1
1 . 622 . 1 1 49 THR O O 1.017 -3.811 10.967 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR O . . rr_1jjd 1
1 . 623 . 1 1 49 THR OG1 O 2.400 -6.223 13.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 THR OG1 . . rr_1jjd 1
1 . 624 . 1 1 50 GLY C C -1.929 -4.085 11.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 GLY C . . rr_1jjd 1
1 . 625 . 1 1 50 GLY CA C -1.272 -5.103 11.952 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 GLY CA . . rr_1jjd 1
1 . 626 . 1 1 50 GLY H H -0.006 -6.747 11.542 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 GLY H . . rr_1jjd 1
1 . 627 . 1 1 50 GLY HA2 H -2.042 -5.869 12.141 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 GLY HA2 . . rr_1jjd 1
1 . 628 . 1 1 50 GLY HA3 H -1.044 -4.624 12.918 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 GLY HA3 . . rr_1jjd 1
1 . 629 . 1 1 50 GLY N N -0.046 -5.745 11.484 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 GLY N . . rr_1jjd 1
1 . 630 . 1 1 50 GLY O O -2.756 -3.349 11.571 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 GLY O . . rr_1jjd 1
1 . 631 . 1 1 51 CYS C C -3.558 -3.884 8.337 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 CYS C . . rr_1jjd 1
1 . 632 . 1 1 51 CYS CA C -2.371 -3.113 8.872 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 CYS CA . . rr_1jjd 1
1 . 633 . 1 1 51 CYS CB C -1.511 -2.626 7.685 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 CYS CB . . rr_1jjd 1
1 . 634 . 1 1 51 CYS H H -0.961 -4.648 9.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 CYS H . . rr_1jjd 1
1 . 635 . 1 1 51 CYS HA H -2.684 -2.209 9.423 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 CYS HA . . rr_1jjd 1
1 . 636 . 1 1 51 CYS HB2 H -0.634 -2.049 8.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 CYS HB2 . . rr_1jjd 1
1 . 637 . 1 1 51 CYS HB3 H -1.178 -3.483 7.085 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 CYS HB3 . . rr_1jjd 1
1 . 638 . 1 1 51 CYS N N -1.626 -4.023 9.738 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 CYS N . . rr_1jjd 1
1 . 639 . 1 1 51 CYS O O -3.329 -4.773 7.534 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 CYS O . . rr_1jjd 1
1 . 640 . 1 1 51 CYS SG S -2.627 -1.555 6.741 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 CYS SG . . rr_1jjd 1
1 . 641 . 1 1 52 ASN C C -6.568 -3.700 7.022 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN C . . rr_1jjd 1
1 . 642 . 1 1 52 ASN CA C -5.967 -4.346 8.251 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN CA . . rr_1jjd 1
1 . 643 . 1 1 52 ASN CB C -6.957 -4.552 9.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN CB . . rr_1jjd 1
1 . 644 . 1 1 52 ASN CG C -7.881 -5.736 9.269 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN CG . . rr_1jjd 1
1 . 645 . 1 1 52 ASN H H -4.984 -2.831 9.382 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN H . . rr_1jjd 1
1 . 646 . 1 1 52 ASN HA H -5.664 -5.351 7.917 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN HA . . rr_1jjd 1
1 . 647 . 1 1 52 ASN HB2 H -6.357 -4.735 10.339 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN HB2 . . rr_1jjd 1
1 . 648 . 1 1 52 ASN HB3 H -7.547 -3.636 9.597 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN HB3 . . rr_1jjd 1
1 . 649 . 1 1 52 ASN HD21 H -8.325 -5.821 11.278 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN HD21 . . rr_1jjd 1
1 . 650 . 1 1 52 ASN HD22 H -9.077 -7.030 10.309 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN HD22 . . rr_1jjd 1
1 . 651 . 1 1 52 ASN N N -4.812 -3.595 8.757 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN N . . rr_1jjd 1
1 . 652 . 1 1 52 ASN ND2 N -8.477 -6.232 10.377 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN ND2 . . rr_1jjd 1
1 . 653 . 1 1 52 ASN O O -7.776 -3.526 6.997 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN O . . rr_1jjd 1
1 . 654 . 1 1 52 ASN OD1 O -8.064 -6.218 8.162 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ASN OD1 . . rr_1jjd 1
1 . 655 . 1 1 53 CYS C C -6.969 -3.581 3.840 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 54 CYS C . . rr_1jjd 1
1 . 656 . 1 1 53 CYS CA C -6.326 -2.641 4.832 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 54 CYS CA . . rr_1jjd 1
1 . 657 . 1 1 53 CYS CB C -5.319 -1.784 4.032 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 54 CYS CB . . rr_1jjd 1
1 . 658 . 1 1 53 CYS H H -4.780 -3.496 6.028 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 54 CYS H . . rr_1jjd 1
1 . 659 . 1 1 53 CYS HA H -7.070 -1.933 5.227 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 54 CYS HA . . rr_1jjd 1
1 . 660 . 1 1 53 CYS HB2 H -5.796 -1.354 3.142 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 54 CYS HB2 . . rr_1jjd 1
1 . 661 . 1 1 53 CYS HB3 H -4.978 -0.981 4.684 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 54 CYS HB3 . . rr_1jjd 1
1 . 662 . 1 1 53 CYS N N -5.762 -3.321 6.000 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 54 CYS N . . rr_1jjd 1
1 . 663 . 1 1 53 CYS O O -6.358 -4.575 3.483 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 54 CYS O . . rr_1jjd 1
1 . 664 . 1 1 53 CYS SG S -3.921 -2.796 3.482 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 54 CYS SG . . rr_1jjd 1
1 . 665 . 1 1 54 HIS C C -8.517 -3.351 1.025 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS C . . rr_1jjd 1
1 . 666 . 1 1 54 HIS CA C -8.866 -4.023 2.334 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS CA . . rr_1jjd 1
1 . 667 . 1 1 54 HIS CB C -10.394 -4.034 2.611 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS CB . . rr_1jjd 1
1 . 668 . 1 1 54 HIS CD2 C -9.947 -4.458 5.117 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS CD2 . . rr_1jjd 1
1 . 669 . 1 1 54 HIS CE1 C -11.876 -3.655 5.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS CE1 . . rr_1jjd 1
1 . 670 . 1 1 54 HIS CG C -10.716 -4.040 4.090 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS CG . . rr_1jjd 1
1 . 671 . 1 1 54 HIS H H -8.664 -2.421 3.685 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS H . . rr_1jjd 1
1 . 672 . 1 1 54 HIS HA H -8.501 -5.064 2.310 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS HA . . rr_1jjd 1
1 . 673 . 1 1 54 HIS HB2 H -10.815 -3.102 2.199 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS HB2 . . rr_1jjd 1
1 . 674 . 1 1 54 HIS HB3 H -10.890 -4.883 2.115 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS HB3 . . rr_1jjd 1
1 . 675 . 1 1 54 HIS HD1 H -12.620 -3.196 3.968 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS HD1 . . rr_1jjd 1
1 . 676 . 1 1 54 HIS HD2 H -8.945 -4.892 5.159 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS HD2 . . rr_1jjd 1
1 . 677 . 1 1 54 HIS HE1 H -12.689 -3.324 6.481 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS HE1 . . rr_1jjd 1
1 . 678 . 1 1 54 HIS N N -8.208 -3.264 3.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS N . . rr_1jjd 1
1 . 679 . 1 1 54 HIS ND1 N -11.859 -3.579 4.546 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS ND1 . . rr_1jjd 1
1 . 680 . 1 1 54 HIS NE2 N -10.799 -4.163 6.236 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS NE2 . . rr_1jjd 1
1 . 681 . 1 1 54 HIS O O -7.710 -2.437 1.059 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 55 HIS O . . rr_1jjd 1
1 . 682 . 1 1 55 GLY C C -10.234 -2.630 -1.930 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 56 GLY C . . rr_1jjd 1
1 . 683 . 1 1 55 GLY CA C -8.906 -3.057 -1.381 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 56 GLY CA . . rr_1jjd 1
1 . 684 . 1 1 55 GLY H H -9.768 -4.525 -0.129 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 56 GLY H . . rr_1jjd 1
1 . 685 . 1 1 55 GLY HA2 H -8.253 -2.171 -1.300 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 56 GLY HA2 . . rr_1jjd 1
1 . 686 . 1 1 55 GLY HA3 H -8.471 -3.746 -2.116 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 56 GLY HA3 . . rr_1jjd 1
1 . 687 . 1 1 55 GLY N N -9.126 -3.753 -0.117 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 56 GLY N . . rr_1jjd 1
1 . 688 . 1 1 55 GLY O O -10.282 -2.100 -3.028 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 56 GLY O . . rr_1jjd 1
1 . 689 . 2 2 1 ZN ZN Zn -0.613 -0.442 1.522 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 101 ZN ZN . . rr_1jjd 1
1 . 690 . 3 2 1 ZN ZN Zn -3.882 -2.492 1.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 102 ZN ZN . . rr_1jjd 1
1 . 691 . 4 2 1 ZN ZN Zn 1.592 -1.826 4.128 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 103 ZN ZN . . rr_1jjd 1
1 . 692 . 5 2 1 ZN ZN Zn -1.963 -1.903 4.498 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 104 ZN ZN . . rr_1jjd 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_1jjd
_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 1jjd.mr . $. "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1jjd 1
1 1jjd.mr . $. unknown 2 distance NOE simple 0 rr_1jjd 1
1 1jjd.mr . $. "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1jjd 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_1jjd
_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 METAL BINDING PROTEIN 04-JUL-01 1JJD *TITLE NMR STRUCTURE OF THE CYANOBACTERIAL METALLOTHIONEIN SMTA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: METALLOTHIONEIN; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: SMTA; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS SP.; *SOURCE 3 ORGANISM_COMMON: BACTERIA; *SOURCE 4 STRAIN: PCC 7942; *SOURCE 5 GENE: SMTA; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); *SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET29A *KEYWDS ZINC FINGER, ZINC CLUSTER, METALLOTHIONEIN *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR P.J.SADLER, N.J.ROBINSON *REVDAT 1 22-AUG-01 1JJD 0 "
save_
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