NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
306682 | 1pdc | 1474 | cing | 3-converted-DOCR | STAR | entry | full |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1pdc # This DOCR archive file contains, for PDB entry <1pdc>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process, minor modifications could # have occurred to the NMR restraints information, or data could have been lost # because of parsing or conversion errors. The PDB file remains the # authoritative reference for the atomic coordinates and the originally deposited # restraints files remain the primary reference for these data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, 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_1pdc _Entry.Title "wwPDB remediated NMR restraints for PDB entry 1pdc" _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 1pdc" save_ save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1pdc _Assembly.ID 1 _Assembly.Name 1pdc _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state "all free" _Assembly.Molecular_mass 5371.2037 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 "SEMINAL FLUID PROTEIN PDC 109" 1 $SEMINAL_FLUID_PROTEIN_PDC_109 A . no . . . . . . rr_1pdc 1 stop_ save_ save_SEMINAL_FLUID_PROTEIN_PDC_109 _Entity.Sf_category entity _Entity.Sf_framecode SEMINAL_FLUID_PROTEIN_PDC_109 _Entity.Entry_ID rr_1pdc _Entity.ID 1 _Entity.Name SEMINAL_FLUID_PROTEIN_PDC_109 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ;DYAKCVFPFIYGGKKYETCT KIGSMWMSWCSLSPNYDKDR AWKYC ; _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 45 _Entity.Paramagnetic no _Entity.Thiol_state "all free" _Entity.Parent_entity_ID 1 _Entity.Formula_weight 5371.2037 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 . ASP . rr_1pdc 1 2 . TYR . rr_1pdc 1 3 . ALA . rr_1pdc 1 4 . LYS . rr_1pdc 1 5 . CYS . rr_1pdc 1 6 . VAL . rr_1pdc 1 7 . PHE . rr_1pdc 1 8 . PRO . rr_1pdc 1 9 . PHE . rr_1pdc 1 10 . ILE . rr_1pdc 1 11 . TYR . rr_1pdc 1 12 . GLY . rr_1pdc 1 13 . GLY . rr_1pdc 1 14 . LYS . rr_1pdc 1 15 . LYS . rr_1pdc 1 16 . TYR . rr_1pdc 1 17 . GLU . rr_1pdc 1 18 . THR . rr_1pdc 1 19 . CYS . rr_1pdc 1 20 . THR . rr_1pdc 1 21 . LYS . rr_1pdc 1 22 . ILE . rr_1pdc 1 23 . GLY . rr_1pdc 1 24 . SER . rr_1pdc 1 25 . MET . rr_1pdc 1 26 . TRP . rr_1pdc 1 27 . MET . rr_1pdc 1 28 . SER . rr_1pdc 1 29 . TRP . rr_1pdc 1 30 . CYS . rr_1pdc 1 31 . SER . rr_1pdc 1 32 . LEU . rr_1pdc 1 33 . SER . rr_1pdc 1 34 . PRO . rr_1pdc 1 35 . ASN . rr_1pdc 1 36 . TYR . rr_1pdc 1 37 . ASP . rr_1pdc 1 38 . LYS . rr_1pdc 1 39 . ASP . rr_1pdc 1 40 . ARG . rr_1pdc 1 41 . ALA . rr_1pdc 1 42 . TRP . rr_1pdc 1 43 . LYS . rr_1pdc 1 44 . TYR . rr_1pdc 1 45 . CYS . rr_1pdc 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 . ASP 1 1 rr_1pdc 1 . TYR 2 2 rr_1pdc 1 . ALA 3 3 rr_1pdc 1 . LYS 4 4 rr_1pdc 1 . CYS 5 5 rr_1pdc 1 . VAL 6 6 rr_1pdc 1 . PHE 7 7 rr_1pdc 1 . PRO 8 8 rr_1pdc 1 . PHE 9 9 rr_1pdc 1 . ILE 10 10 rr_1pdc 1 . TYR 11 11 rr_1pdc 1 . GLY 12 12 rr_1pdc 1 . GLY 13 13 rr_1pdc 1 . LYS 14 14 rr_1pdc 1 . LYS 15 15 rr_1pdc 1 . TYR 16 16 rr_1pdc 1 . GLU 17 17 rr_1pdc 1 . THR 18 18 rr_1pdc 1 . CYS 19 19 rr_1pdc 1 . THR 20 20 rr_1pdc 1 . LYS 21 21 rr_1pdc 1 . ILE 22 22 rr_1pdc 1 . GLY 23 23 rr_1pdc 1 . SER 24 24 rr_1pdc 1 . MET 25 25 rr_1pdc 1 . TRP 26 26 rr_1pdc 1 . MET 27 27 rr_1pdc 1 . SER 28 28 rr_1pdc 1 . TRP 29 29 rr_1pdc 1 . CYS 30 30 rr_1pdc 1 . SER 31 31 rr_1pdc 1 . LEU 32 32 rr_1pdc 1 . SER 33 33 rr_1pdc 1 . PRO 34 34 rr_1pdc 1 . ASN 35 35 rr_1pdc 1 . TYR 36 36 rr_1pdc 1 . ASP 37 37 rr_1pdc 1 . LYS 38 38 rr_1pdc 1 . ASP 39 39 rr_1pdc 1 . ARG 40 40 rr_1pdc 1 . ALA 41 41 rr_1pdc 1 . TRP 42 42 rr_1pdc 1 . LYS 43 43 rr_1pdc 1 . TYR 44 44 rr_1pdc 1 . CYS 45 45 rr_1pdc 1 stop_ save_ save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1pdc _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_1pdc _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_1pdc 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_1pdc 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 1 ASP C C 2.116 1.266 -3.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP C . . rr_1pdc 1 1 . 2 . 1 1 1 ASP CA C 3.029 0.885 -2.107 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP CA . . rr_1pdc 1 1 . 3 . 1 1 1 ASP CB C 4.501 1.020 -2.546 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP CB . . rr_1pdc 1 1 . 4 . 1 1 1 ASP CG C 4.975 2.445 -2.300 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP CG . . rr_1pdc 1 1 . 5 . 1 1 1 ASP H1 H 2.595 -1.094 -2.551 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP H1 . . rr_1pdc 1 1 . 6 . 1 1 1 ASP H2 H 3.581 -0.889 -1.183 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP H2 . . rr_1pdc 1 1 . 7 . 1 1 1 ASP H3 H 1.921 -0.546 -1.092 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP H3 . . rr_1pdc 1 1 . 8 . 1 1 1 ASP HA H 2.810 1.544 -1.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP HA . . rr_1pdc 1 1 . 9 . 1 1 1 ASP HB2 H 5.117 0.339 -1.977 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP HB2 . . rr_1pdc 1 1 . 10 . 1 1 1 ASP HB3 H 4.594 0.791 -3.597 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP HB3 . . rr_1pdc 1 1 . 11 . 1 1 1 ASP N N 2.761 -0.515 -1.702 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP N . . rr_1pdc 1 1 . 12 . 1 1 1 ASP O O 1.650 0.408 -4.000 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP O . . rr_1pdc 1 1 . 13 . 1 1 1 ASP OD1 O 4.436 3.313 -2.959 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP OD1 . . rr_1pdc 1 1 . 14 . 1 1 1 ASP OD2 O 5.853 2.585 -1.472 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -4 ASP OD2 . . rr_1pdc 1 1 . 15 . 1 1 2 TYR C C 1.566 4.252 -5.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR C . . rr_1pdc 1 1 . 16 . 1 1 2 TYR CA C 0.991 2.998 -4.559 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CA . . rr_1pdc 1 1 . 17 . 1 1 2 TYR CB C -0.402 3.330 -3.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CB . . rr_1pdc 1 1 . 18 . 1 1 2 TYR CD1 C -1.587 3.116 -6.218 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CD1 . . rr_1pdc 1 1 . 19 . 1 1 2 TYR CD2 C -2.411 1.843 -4.385 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CD2 . . rr_1pdc 1 1 . 20 . 1 1 2 TYR CE1 C -2.577 2.591 -7.025 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CE1 . . rr_1pdc 1 1 . 21 . 1 1 2 TYR CE2 C -3.401 1.320 -5.195 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CE2 . . rr_1pdc 1 1 . 22 . 1 1 2 TYR CG C -1.496 2.745 -4.888 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CG . . rr_1pdc 1 1 . 23 . 1 1 2 TYR CZ C -3.489 1.690 -6.520 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR CZ . . rr_1pdc 1 1 . 24 . 1 1 2 TYR H H 2.278 3.197 -2.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR H . . rr_1pdc 1 1 . 25 . 1 1 2 TYR HA H 0.925 2.208 -5.306 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HA . . rr_1pdc 1 1 . 26 . 1 1 2 TYR HB2 H -0.496 2.905 -2.993 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HB2 . . rr_1pdc 1 1 . 27 . 1 1 2 TYR HB3 H -0.528 4.402 -3.918 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HB3 . . rr_1pdc 1 1 . 28 . 1 1 2 TYR HD1 H -0.881 3.822 -6.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HD1 . . rr_1pdc 1 1 . 29 . 1 1 2 TYR HD2 H -2.354 1.544 -3.349 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HD2 . . rr_1pdc 1 1 . 30 . 1 1 2 TYR HE1 H -2.642 2.891 -8.060 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HE1 . . rr_1pdc 1 1 . 31 . 1 1 2 TYR HE2 H -4.113 0.619 -4.787 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HE2 . . rr_1pdc 1 1 . 32 . 1 1 2 TYR HH H -4.575 0.238 -7.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR HH . . rr_1pdc 1 1 . 33 . 1 1 2 TYR N N 1.873 2.541 -3.437 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR N . . rr_1pdc 1 1 . 34 . 1 1 2 TYR O O 0.961 4.831 -6.100 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR O . . rr_1pdc 1 1 . 35 . 1 1 2 TYR OH O -4.470 1.162 -7.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -3 TYR OH . . rr_1pdc 1 1 . 36 . 1 1 3 ALA C C 4.874 5.607 -5.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA C . . rr_1pdc 1 1 . 37 . 1 1 3 ALA CA C 3.376 5.857 -5.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA CA . . rr_1pdc 1 1 . 38 . 1 1 3 ALA CB C 3.182 7.022 -4.338 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA CB . . rr_1pdc 1 1 . 39 . 1 1 3 ALA H H 3.161 4.150 -4.039 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA H . . rr_1pdc 1 1 . 40 . 1 1 3 ALA HA H 2.926 6.088 -6.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA HA . . rr_1pdc 1 1 . 41 . 1 1 3 ALA HB1 H 2.127 7.179 -4.164 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA HB1 . . rr_1pdc 1 1 . 42 . 1 1 3 ALA HB2 H 3.666 6.788 -3.401 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA HB2 . . rr_1pdc 1 1 . 43 . 1 1 3 ALA HB3 H 3.613 7.925 -4.747 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA HB3 . . rr_1pdc 1 1 . 44 . 1 1 3 ALA N N 2.723 4.649 -4.760 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA N . . rr_1pdc 1 1 . 45 . 1 1 3 ALA O O 5.640 6.525 -5.734 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -2 ALA O . . rr_1pdc 1 1 . 46 . 1 1 4 LYS C C 6.851 2.757 -6.483 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS C . . rr_1pdc 1 1 . 47 . 1 1 4 LYS CA C 6.692 4.012 -5.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS CA . . rr_1pdc 1 1 . 48 . 1 1 4 LYS CB C 7.266 3.731 -4.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS CB . . rr_1pdc 1 1 . 49 . 1 1 4 LYS CD C 9.364 3.297 -2.933 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS CD . . rr_1pdc 1 1 . 50 . 1 1 4 LYS CE C 8.749 4.080 -1.764 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS CE . . rr_1pdc 1 1 . 51 . 1 1 4 LYS CG C 8.795 3.824 -4.261 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS CG . . rr_1pdc 1 1 . 52 . 1 1 4 LYS H H 4.601 3.661 -5.259 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS H . . rr_1pdc 1 1 . 53 . 1 1 4 LYS HA H 7.209 4.842 -6.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HA . . rr_1pdc 1 1 . 54 . 1 1 4 LYS HB2 H 6.875 4.455 -3.523 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HB2 . . rr_1pdc 1 1 . 55 . 1 1 4 LYS HB3 H 6.972 2.741 -3.904 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HB3 . . rr_1pdc 1 1 . 56 . 1 1 4 LYS HD2 H 9.126 2.248 -2.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HD2 . . rr_1pdc 1 1 . 57 . 1 1 4 LYS HD3 H 10.437 3.416 -2.926 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HD3 . . rr_1pdc 1 1 . 58 . 1 1 4 LYS HE2 H 8.423 5.054 -2.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HE2 . . rr_1pdc 1 1 . 59 . 1 1 4 LYS HE3 H 7.897 3.542 -1.376 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HE3 . . rr_1pdc 1 1 . 60 . 1 1 4 LYS HG2 H 9.175 3.229 -5.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HG2 . . rr_1pdc 1 1 . 61 . 1 1 4 LYS HG3 H 9.092 4.854 -4.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HG3 . . rr_1pdc 1 1 . 62 . 1 1 4 LYS HZ1 H 10.138 3.330 -0.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HZ1 . . rr_1pdc 1 1 . 63 . 1 1 4 LYS HZ2 H 10.522 4.870 -1.005 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HZ2 . . rr_1pdc 1 1 . 64 . 1 1 4 LYS HZ3 H 9.294 4.695 0.155 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS HZ3 . . rr_1pdc 1 1 . 65 . 1 1 4 LYS N N 5.257 4.361 -5.447 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS N . . rr_1pdc 1 1 . 66 . 1 1 4 LYS NZ N 9.752 4.257 -0.672 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS NZ . . rr_1pdc 1 1 . 67 . 1 1 4 LYS O O 7.612 2.743 -7.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . -1 LYS O . . rr_1pdc 1 1 . 68 . 1 1 5 CYS C C 5.062 -0.490 -6.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1pdc 1 1 . 69 . 1 1 5 CYS CA C 6.186 0.449 -6.897 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1pdc 1 1 . 70 . 1 1 5 CYS CB C 7.535 -0.234 -6.584 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1pdc 1 1 . 71 . 1 1 5 CYS H H 5.511 1.814 -5.368 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H . . rr_1pdc 1 1 . 72 . 1 1 5 CYS HA H 6.084 0.653 -7.962 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1pdc 1 1 . 73 . 1 1 5 CYS HB2 H 7.691 -0.188 -5.517 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1pdc 1 1 . 74 . 1 1 5 CYS HB3 H 7.454 -1.275 -6.855 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1pdc 1 1 . 75 . 1 1 5 CYS N N 6.117 1.734 -6.132 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1pdc 1 1 . 76 . 1 1 5 CYS O O 5.039 -0.913 -5.307 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1pdc 1 1 . 77 . 1 1 5 CYS SG S 9.030 0.420 -7.380 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1pdc 1 1 . 78 . 1 1 6 VAL C C 3.348 -3.182 -7.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL C . . rr_1pdc 1 1 . 79 . 1 1 6 VAL CA C 3.030 -1.719 -6.951 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL CA . . rr_1pdc 1 1 . 80 . 1 1 6 VAL CB C 1.736 -1.267 -7.688 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL CB . . rr_1pdc 1 1 . 81 . 1 1 6 VAL CG1 C 1.997 -1.098 -9.197 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL CG1 . . rr_1pdc 1 1 . 82 . 1 1 6 VAL CG2 C 0.634 -2.318 -7.480 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL CG2 . . rr_1pdc 1 1 . 83 . 1 1 6 VAL H H 4.211 -0.445 -8.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL H . . rr_1pdc 1 1 . 84 . 1 1 6 VAL HA H 2.893 -1.650 -5.881 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL HA . . rr_1pdc 1 1 . 85 . 1 1 6 VAL HB H 1.407 -0.323 -7.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL HB . . rr_1pdc 1 1 . 86 . 1 1 6 VAL HG11 H 3.059 -1.074 -9.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL HG11 . . rr_1pdc 1 1 . 87 . 1 1 6 VAL HG12 H 1.554 -1.918 -9.743 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL HG12 . . rr_1pdc 1 1 . 88 . 1 1 6 VAL HG13 H 1.558 -0.173 -9.537 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL HG13 . . rr_1pdc 1 1 . 89 . 1 1 6 VAL HG21 H 0.615 -2.628 -6.445 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL HG21 . . rr_1pdc 1 1 . 90 . 1 1 6 VAL HG22 H -0.326 -1.896 -7.741 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL HG22 . . rr_1pdc 1 1 . 91 . 1 1 6 VAL HG23 H 0.824 -3.179 -8.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL HG23 . . rr_1pdc 1 1 . 92 . 1 1 6 VAL N N 4.154 -0.803 -7.341 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL N . . rr_1pdc 1 1 . 93 . 1 1 6 VAL O O 3.721 -3.949 -6.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 VAL O . . rr_1pdc 1 1 . 94 . 1 1 7 PHE C C 2.396 -5.912 -8.526 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1pdc 1 1 . 95 . 1 1 7 PHE CA C 3.463 -4.924 -8.994 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1pdc 1 1 . 96 . 1 1 7 PHE CB C 4.832 -5.384 -8.453 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1pdc 1 1 . 97 . 1 1 7 PHE CD1 C 5.690 -3.449 -9.806 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1pdc 1 1 . 98 . 1 1 7 PHE CD2 C 6.999 -4.193 -7.964 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1pdc 1 1 . 99 . 1 1 7 PHE CE1 C 6.625 -2.480 -10.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1pdc 1 1 . 100 . 1 1 7 PHE CE2 C 7.940 -3.224 -8.241 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1pdc 1 1 . 101 . 1 1 7 PHE CG C 5.869 -4.311 -8.746 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1pdc 1 1 . 102 . 1 1 7 PHE CZ C 7.752 -2.367 -9.302 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1pdc 1 1 . 103 . 1 1 7 PHE H H 2.887 -2.862 -9.169 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1pdc 1 1 . 104 . 1 1 7 PHE HA H 3.474 -4.918 -10.075 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1pdc 1 1 . 105 . 1 1 7 PHE HB2 H 4.775 -5.549 -7.391 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1pdc 1 1 . 106 . 1 1 7 PHE HB3 H 5.127 -6.302 -8.938 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1pdc 1 1 . 107 . 1 1 7 PHE HD1 H 4.811 -3.550 -10.430 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1pdc 1 1 . 108 . 1 1 7 PHE HD2 H 7.144 -4.864 -7.132 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1pdc 1 1 . 109 . 1 1 7 PHE HE1 H 6.471 -1.810 -10.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1pdc 1 1 . 110 . 1 1 7 PHE HE2 H 8.826 -3.140 -7.628 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1pdc 1 1 . 111 . 1 1 7 PHE HZ H 8.490 -1.615 -9.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1pdc 1 1 . 112 . 1 1 7 PHE N N 3.186 -3.525 -8.532 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1pdc 1 1 . 113 . 1 1 7 PHE O O 1.900 -5.839 -7.416 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1pdc 1 1 . 114 . 1 1 8 PRO C C 2.080 -5.747 -11.654 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO C . . rr_1pdc 1 1 . 115 . 1 1 8 PRO CA C 2.632 -6.876 -10.767 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO CA . . rr_1pdc 1 1 . 116 . 1 1 8 PRO CB C 2.192 -8.239 -11.322 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO CB . . rr_1pdc 1 1 . 117 . 1 1 8 PRO CD C 1.135 -7.904 -9.085 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO CD . . rr_1pdc 1 1 . 118 . 1 1 8 PRO CG C 1.214 -8.870 -10.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO CG . . rr_1pdc 1 1 . 119 . 1 1 8 PRO HA H 3.714 -6.809 -10.711 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO HA . . rr_1pdc 1 1 . 120 . 1 1 8 PRO HB2 H 1.695 -8.114 -12.273 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO HB2 . . rr_1pdc 1 1 . 121 . 1 1 8 PRO HB3 H 3.058 -8.870 -11.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO HB3 . . rr_1pdc 1 1 . 122 . 1 1 8 PRO HD2 H 0.137 -7.512 -8.974 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO HD2 . . rr_1pdc 1 1 . 123 . 1 1 8 PRO HD3 H 1.450 -8.393 -8.176 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO HD3 . . rr_1pdc 1 1 . 124 . 1 1 8 PRO HG2 H 0.235 -8.996 -10.721 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO HG2 . . rr_1pdc 1 1 . 125 . 1 1 8 PRO HG3 H 1.590 -9.831 -9.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO HG3 . . rr_1pdc 1 1 . 126 . 1 1 8 PRO N N 2.058 -6.826 -9.411 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO N . . rr_1pdc 1 1 . 127 . 1 1 8 PRO O O 0.942 -5.329 -11.504 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PRO O . . rr_1pdc 1 1 . 128 . 1 1 9 PHE C C 2.473 -4.611 -14.939 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE C . . rr_1pdc 1 1 . 129 . 1 1 9 PHE CA C 2.427 -4.188 -13.461 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE CA . . rr_1pdc 1 1 . 130 . 1 1 9 PHE CB C 3.320 -2.961 -13.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE CB . . rr_1pdc 1 1 . 131 . 1 1 9 PHE CD1 C 5.723 -3.758 -13.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE CD1 . . rr_1pdc 1 1 . 132 . 1 1 9 PHE CD2 C 4.969 -2.583 -15.069 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE CD2 . . rr_1pdc 1 1 . 133 . 1 1 9 PHE CE1 C 6.993 -3.814 -13.668 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE CE1 . . rr_1pdc 1 1 . 134 . 1 1 9 PHE CE2 C 6.237 -2.642 -15.595 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE CE2 . . rr_1pdc 1 1 . 135 . 1 1 9 PHE CG C 4.699 -3.135 -13.835 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE CG . . rr_1pdc 1 1 . 136 . 1 1 9 PHE CZ C 7.249 -3.255 -14.898 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE CZ . . rr_1pdc 1 1 . 137 . 1 1 9 PHE H H 3.789 -5.658 -12.675 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE H . . rr_1pdc 1 1 . 138 . 1 1 9 PHE HA H 1.392 -3.959 -13.208 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE HA . . rr_1pdc 1 1 . 139 . 1 1 9 PHE HB2 H 2.854 -2.080 -13.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE HB2 . . rr_1pdc 1 1 . 140 . 1 1 9 PHE HB3 H 3.443 -2.827 -12.140 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE HB3 . . rr_1pdc 1 1 . 141 . 1 1 9 PHE HD1 H 5.524 -4.213 -12.182 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE HD1 . . rr_1pdc 1 1 . 142 . 1 1 9 PHE HD2 H 4.180 -2.095 -15.622 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE HD2 . . rr_1pdc 1 1 . 143 . 1 1 9 PHE HE1 H 7.790 -4.296 -13.114 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE HE1 . . rr_1pdc 1 1 . 144 . 1 1 9 PHE HE2 H 6.437 -2.201 -16.551 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE HE2 . . rr_1pdc 1 1 . 145 . 1 1 9 PHE HZ H 8.245 -3.295 -15.314 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE HZ . . rr_1pdc 1 1 . 146 . 1 1 9 PHE N N 2.890 -5.280 -12.569 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE N . . rr_1pdc 1 1 . 147 . 1 1 9 PHE O O 2.968 -5.673 -15.267 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 PHE O . . rr_1pdc 1 1 . 148 . 1 1 10 ILE C C 2.743 -3.121 -18.129 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE C . . rr_1pdc 1 1 . 149 . 1 1 10 ILE CA C 1.957 -4.119 -17.269 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE CA . . rr_1pdc 1 1 . 150 . 1 1 10 ILE CB C 0.495 -4.106 -17.741 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE CB . . rr_1pdc 1 1 . 151 . 1 1 10 ILE CD1 C -1.717 -5.237 -17.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE CD1 . . rr_1pdc 1 1 . 152 . 1 1 10 ILE CG1 C -0.398 -4.803 -16.706 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE CG1 . . rr_1pdc 1 1 . 153 . 1 1 10 ILE CG2 C 0.411 -4.857 -19.078 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE CG2 . . rr_1pdc 1 1 . 154 . 1 1 10 ILE H H 1.566 -2.920 -15.497 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE H . . rr_1pdc 1 1 . 155 . 1 1 10 ILE HA H 2.390 -5.106 -17.393 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE HA . . rr_1pdc 1 1 . 156 . 1 1 10 ILE HB H 0.167 -3.071 -17.855 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE HB . . rr_1pdc 1 1 . 157 . 1 1 10 ILE HD11 H -2.038 -4.491 -18.070 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE HD11 . . rr_1pdc 1 1 . 158 . 1 1 10 ILE HD12 H -1.580 -6.180 -17.868 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE HD12 . . rr_1pdc 1 1 . 159 . 1 1 10 ILE HD13 H -2.477 -5.353 -16.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE HD13 . . rr_1pdc 1 1 . 160 . 1 1 10 ILE HG12 H 0.113 -5.668 -16.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE HG12 . . rr_1pdc 1 1 . 161 . 1 1 10 ILE HG13 H -0.608 -4.117 -15.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE HG13 . . rr_1pdc 1 1 . 162 . 1 1 10 ILE HG21 H 1.298 -4.662 -19.658 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE HG21 . . rr_1pdc 1 1 . 163 . 1 1 10 ILE HG22 H 0.331 -5.918 -18.898 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE HG22 . . rr_1pdc 1 1 . 164 . 1 1 10 ILE HG23 H -0.456 -4.523 -19.631 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE HG23 . . rr_1pdc 1 1 . 165 . 1 1 10 ILE N N 1.954 -3.769 -15.807 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE N . . rr_1pdc 1 1 . 166 . 1 1 10 ILE O O 2.163 -2.224 -18.698 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 ILE O . . rr_1pdc 1 1 . 167 . 1 1 11 TYR C C 4.426 -2.380 -20.543 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR C . . rr_1pdc 1 1 . 168 . 1 1 11 TYR CA C 4.882 -2.404 -19.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CA . . rr_1pdc 1 1 . 169 . 1 1 11 TYR CB C 6.334 -2.913 -19.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CB . . rr_1pdc 1 1 . 170 . 1 1 11 TYR CD1 C 7.114 -0.481 -19.225 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CD1 . . rr_1pdc 1 1 . 171 . 1 1 11 TYR CD2 C 8.484 -2.182 -20.155 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CD2 . . rr_1pdc 1 1 . 172 . 1 1 11 TYR CE1 C 8.053 0.464 -19.590 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CE1 . . rr_1pdc 1 1 . 173 . 1 1 11 TYR CE2 C 9.417 -1.231 -20.514 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CE2 . . rr_1pdc 1 1 . 174 . 1 1 11 TYR CG C 7.323 -1.822 -19.504 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CG . . rr_1pdc 1 1 . 175 . 1 1 11 TYR CZ C 9.209 0.094 -20.234 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR CZ . . rr_1pdc 1 1 . 176 . 1 1 11 TYR H H 4.453 -4.117 -17.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR H . . rr_1pdc 1 1 . 177 . 1 1 11 TYR HA H 4.809 -1.407 -18.673 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HA . . rr_1pdc 1 1 . 178 . 1 1 11 TYR HB2 H 6.584 -3.211 -18.039 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HB2 . . rr_1pdc 1 1 . 179 . 1 1 11 TYR HB3 H 6.432 -3.767 -19.687 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HB3 . . rr_1pdc 1 1 . 180 . 1 1 11 TYR HD1 H 6.229 -0.172 -18.704 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HD1 . . rr_1pdc 1 1 . 181 . 1 1 11 TYR HD2 H 8.662 -3.215 -20.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HD2 . . rr_1pdc 1 1 . 182 . 1 1 11 TYR HE1 H 7.884 1.496 -19.359 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HE1 . . rr_1pdc 1 1 . 183 . 1 1 11 TYR HE2 H 10.325 -1.533 -21.005 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HE2 . . rr_1pdc 1 1 . 184 . 1 1 11 TYR HH H 10.296 1.614 -19.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR HH . . rr_1pdc 1 1 . 185 . 1 1 11 TYR N N 4.041 -3.338 -18.257 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR N . . rr_1pdc 1 1 . 186 . 1 1 11 TYR O O 4.656 -3.318 -21.274 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR O . . rr_1pdc 1 1 . 187 . 1 1 11 TYR OH O 10.153 1.040 -20.581 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 TYR OH . . rr_1pdc 1 1 . 188 . 1 1 12 GLY C C 2.635 -2.510 -22.786 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 GLY C . . rr_1pdc 1 1 . 189 . 1 1 12 GLY CA C 3.304 -1.208 -22.354 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 GLY CA . . rr_1pdc 1 1 . 190 . 1 1 12 GLY H H 3.610 -0.579 -20.312 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 GLY H . . rr_1pdc 1 1 . 191 . 1 1 12 GLY HA2 H 2.595 -0.402 -22.438 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 GLY HA2 . . rr_1pdc 1 1 . 192 . 1 1 12 GLY HA3 H 4.144 -1.012 -23.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 GLY HA3 . . rr_1pdc 1 1 . 193 . 1 1 12 GLY N N 3.782 -1.306 -20.938 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 GLY N . . rr_1pdc 1 1 . 194 . 1 1 12 GLY O O 2.649 -2.860 -23.945 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 GLY O . . rr_1pdc 1 1 . 195 . 1 1 13 GLY C C 2.393 -5.660 -22.236 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY C . . rr_1pdc 1 1 . 196 . 1 1 13 GLY CA C 1.380 -4.503 -22.199 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY CA . . rr_1pdc 1 1 . 197 . 1 1 13 GLY H H 2.062 -2.871 -20.902 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY H . . rr_1pdc 1 1 . 198 . 1 1 13 GLY HA2 H 0.613 -4.723 -21.483 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY HA2 . . rr_1pdc 1 1 . 199 . 1 1 13 GLY HA3 H 0.928 -4.404 -23.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY HA3 . . rr_1pdc 1 1 . 200 . 1 1 13 GLY N N 2.058 -3.206 -21.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY N . . rr_1pdc 1 1 . 201 . 1 1 13 GLY O O 2.212 -6.619 -22.955 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLY O . . rr_1pdc 1 1 . 202 . 1 1 14 LYS C C 4.431 -7.428 -20.122 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS C . . rr_1pdc 1 1 . 203 . 1 1 14 LYS CA C 4.473 -6.626 -21.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS CA . . rr_1pdc 1 1 . 204 . 1 1 14 LYS CB C 5.846 -5.942 -21.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS CB . . rr_1pdc 1 1 . 205 . 1 1 14 LYS CD C 8.161 -6.490 -22.315 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS CD . . rr_1pdc 1 1 . 206 . 1 1 14 LYS CE C 9.296 -7.521 -22.256 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS CE . . rr_1pdc 1 1 . 207 . 1 1 14 LYS CG C 6.962 -6.989 -21.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS CG . . rr_1pdc 1 1 . 208 . 1 1 14 LYS H H 3.544 -4.747 -20.896 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS H . . rr_1pdc 1 1 . 209 . 1 1 14 LYS HA H 4.303 -7.303 -22.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HA . . rr_1pdc 1 1 . 210 . 1 1 14 LYS HB2 H 5.899 -5.410 -22.492 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HB2 . . rr_1pdc 1 1 . 211 . 1 1 14 LYS HB3 H 5.967 -5.241 -20.747 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HB3 . . rr_1pdc 1 1 . 212 . 1 1 14 LYS HD2 H 7.857 -6.343 -23.342 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HD2 . . rr_1pdc 1 1 . 213 . 1 1 14 LYS HD3 H 8.508 -5.548 -21.915 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HD3 . . rr_1pdc 1 1 . 214 . 1 1 14 LYS HE2 H 10.191 -7.052 -21.872 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HE2 . . rr_1pdc 1 1 . 215 . 1 1 14 LYS HE3 H 9.015 -8.335 -21.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HE3 . . rr_1pdc 1 1 . 216 . 1 1 14 LYS HG2 H 7.261 -7.135 -20.460 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HG2 . . rr_1pdc 1 1 . 217 . 1 1 14 LYS HG3 H 6.606 -7.928 -21.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HG3 . . rr_1pdc 1 1 . 218 . 1 1 14 LYS HZ1 H 9.736 -7.270 -24.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HZ1 . . rr_1pdc 1 1 . 219 . 1 1 14 LYS HZ2 H 10.413 -8.672 -23.595 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HZ2 . . rr_1pdc 1 1 . 220 . 1 1 14 LYS HZ3 H 8.750 -8.612 -23.945 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS HZ3 . . rr_1pdc 1 1 . 221 . 1 1 14 LYS N N 3.435 -5.546 -21.454 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS N . . rr_1pdc 1 1 . 222 . 1 1 14 LYS NZ N 9.571 -8.060 -23.623 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS NZ . . rr_1pdc 1 1 . 223 . 1 1 14 LYS O O 4.861 -8.562 -20.083 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 LYS O . . rr_1pdc 1 1 . 224 . 1 1 15 LYS C C 5.199 -7.649 -17.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS C . . rr_1pdc 1 1 . 225 . 1 1 15 LYS CA C 3.823 -7.492 -17.746 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS CA . . rr_1pdc 1 1 . 226 . 1 1 15 LYS CB C 3.194 -8.892 -17.920 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS CB . . rr_1pdc 1 1 . 227 . 1 1 15 LYS CD C 1.125 -10.125 -18.568 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS CD . . rr_1pdc 1 1 . 228 . 1 1 15 LYS CE C -0.194 -10.037 -19.341 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS CE . . rr_1pdc 1 1 . 229 . 1 1 15 LYS CG C 1.821 -8.759 -18.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS CG . . rr_1pdc 1 1 . 230 . 1 1 15 LYS H H 3.601 -5.888 -19.183 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS H . . rr_1pdc 1 1 . 231 . 1 1 15 LYS HA H 3.204 -6.883 -17.094 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HA . . rr_1pdc 1 1 . 232 . 1 1 15 LYS HB2 H 3.835 -9.507 -18.527 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HB2 . . rr_1pdc 1 1 . 233 . 1 1 15 LYS HB3 H 3.081 -9.357 -16.951 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HB3 . . rr_1pdc 1 1 . 234 . 1 1 15 LYS HD2 H 1.765 -10.865 -19.026 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HD2 . . rr_1pdc 1 1 . 235 . 1 1 15 LYS HD3 H 0.926 -10.417 -17.546 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HD3 . . rr_1pdc 1 1 . 236 . 1 1 15 LYS HE2 H -0.877 -10.798 -18.982 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HE2 . . rr_1pdc 1 1 . 237 . 1 1 15 LYS HE3 H -0.640 -9.063 -19.188 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HE3 . . rr_1pdc 1 1 . 238 . 1 1 15 LYS HG2 H 1.224 -8.038 -18.045 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HG2 . . rr_1pdc 1 1 . 239 . 1 1 15 LYS HG3 H 1.944 -8.424 -19.607 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HG3 . . rr_1pdc 1 1 . 240 . 1 1 15 LYS HZ1 H 1.071 -10.274 -20.983 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HZ1 . . rr_1pdc 1 1 . 241 . 1 1 15 LYS HZ2 H -0.384 -11.140 -21.104 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HZ2 . . rr_1pdc 1 1 . 242 . 1 1 15 LYS HZ3 H -0.374 -9.459 -21.340 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS HZ3 . . rr_1pdc 1 1 . 243 . 1 1 15 LYS N N 3.918 -6.807 -19.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS N . . rr_1pdc 1 1 . 244 . 1 1 15 LYS NZ N 0.047 -10.244 -20.802 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS NZ . . rr_1pdc 1 1 . 245 . 1 1 15 LYS O O 6.130 -8.165 -17.670 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 LYS O . . rr_1pdc 1 1 . 246 . 1 1 16 TYR C C 6.290 -7.153 -13.603 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR C . . rr_1pdc 1 1 . 247 . 1 1 16 TYR CA C 6.572 -7.283 -15.107 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CA . . rr_1pdc 1 1 . 248 . 1 1 16 TYR CB C 7.480 -6.097 -15.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CB . . rr_1pdc 1 1 . 249 . 1 1 16 TYR CD1 C 9.213 -7.626 -16.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CD1 . . rr_1pdc 1 1 . 250 . 1 1 16 TYR CD2 C 8.543 -5.692 -17.789 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CD2 . . rr_1pdc 1 1 . 251 . 1 1 16 TYR CE1 C 10.076 -7.961 -17.610 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CE1 . . rr_1pdc 1 1 . 252 . 1 1 16 TYR CE2 C 9.405 -6.028 -18.812 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CE2 . . rr_1pdc 1 1 . 253 . 1 1 16 TYR CG C 8.437 -6.490 -16.664 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CG . . rr_1pdc 1 1 . 254 . 1 1 16 TYR CZ C 10.177 -7.162 -18.731 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR CZ . . rr_1pdc 1 1 . 255 . 1 1 16 TYR H H 4.500 -6.783 -15.439 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR H . . rr_1pdc 1 1 . 256 . 1 1 16 TYR HA H 7.048 -8.242 -15.305 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HA . . rr_1pdc 1 1 . 257 . 1 1 16 TYR HB2 H 6.862 -5.279 -15.856 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HB2 . . rr_1pdc 1 1 . 258 . 1 1 16 TYR HB3 H 8.065 -5.775 -14.675 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HB3 . . rr_1pdc 1 1 . 259 . 1 1 16 TYR HD1 H 9.164 -8.246 -15.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HD1 . . rr_1pdc 1 1 . 260 . 1 1 16 TYR HD2 H 7.968 -4.781 -17.855 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HD2 . . rr_1pdc 1 1 . 261 . 1 1 16 TYR HE1 H 10.677 -8.854 -17.535 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HE1 . . rr_1pdc 1 1 . 262 . 1 1 16 TYR HE2 H 9.471 -5.397 -19.684 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HE2 . . rr_1pdc 1 1 . 263 . 1 1 16 TYR HH H 11.934 -7.268 -19.469 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR HH . . rr_1pdc 1 1 . 264 . 1 1 16 TYR N N 5.286 -7.191 -15.865 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR N . . rr_1pdc 1 1 . 265 . 1 1 16 TYR O O 5.206 -6.756 -13.209 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR O . . rr_1pdc 1 1 . 266 . 1 1 16 TYR OH O 11.041 -7.491 -19.754 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 TYR OH . . rr_1pdc 1 1 . 267 . 1 1 17 GLU C C 8.045 -6.389 -10.745 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU C . . rr_1pdc 1 1 . 268 . 1 1 17 GLU CA C 7.043 -7.376 -11.325 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU CA . . rr_1pdc 1 1 . 269 . 1 1 17 GLU CB C 7.254 -8.769 -10.695 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU CB . . rr_1pdc 1 1 . 270 . 1 1 17 GLU CD C 5.209 -9.703 -9.574 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU CD . . rr_1pdc 1 1 . 271 . 1 1 17 GLU CG C 5.980 -9.609 -10.895 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU CG . . rr_1pdc 1 1 . 272 . 1 1 17 GLU H H 8.112 -7.802 -13.147 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU H . . rr_1pdc 1 1 . 273 . 1 1 17 GLU HA H 6.031 -7.002 -11.132 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU HA . . rr_1pdc 1 1 . 274 . 1 1 17 GLU HB2 H 8.091 -9.261 -11.169 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU HB2 . . rr_1pdc 1 1 . 275 . 1 1 17 GLU HB3 H 7.456 -8.663 -9.638 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU HB3 . . rr_1pdc 1 1 . 276 . 1 1 17 GLU HG2 H 5.349 -9.147 -11.639 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU HG2 . . rr_1pdc 1 1 . 277 . 1 1 17 GLU HG3 H 6.245 -10.603 -11.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU HG3 . . rr_1pdc 1 1 . 278 . 1 1 17 GLU N N 7.255 -7.483 -12.794 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU N . . rr_1pdc 1 1 . 279 . 1 1 17 GLU O O 7.745 -5.229 -10.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU O . . rr_1pdc 1 1 . 280 . 1 1 17 GLU OE1 O 4.696 -8.673 -9.169 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU OE1 . . rr_1pdc 1 1 . 281 . 1 1 17 GLU OE2 O 5.174 -10.802 -9.048 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 GLU OE2 . . rr_1pdc 1 1 . 282 . 1 1 18 THR C C 10.747 -5.001 -10.995 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR C . . rr_1pdc 1 1 . 283 . 1 1 18 THR CA C 10.256 -5.948 -9.905 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR CA . . rr_1pdc 1 1 . 284 . 1 1 18 THR CB C 11.440 -6.789 -9.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR CB . . rr_1pdc 1 1 . 285 . 1 1 18 THR CG2 C 11.022 -7.652 -8.198 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR CG2 . . rr_1pdc 1 1 . 286 . 1 1 18 THR H H 9.441 -7.797 -10.661 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR H . . rr_1pdc 1 1 . 287 . 1 1 18 THR HA H 9.812 -5.364 -9.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HA . . rr_1pdc 1 1 . 288 . 1 1 18 THR HB H 12.314 -6.177 -9.186 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HB . . rr_1pdc 1 1 . 289 . 1 1 18 THR HG1 H 12.075 -7.245 -11.173 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HG1 . . rr_1pdc 1 1 . 290 . 1 1 18 THR HG21 H 10.164 -8.252 -8.464 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HG21 . . rr_1pdc 1 1 . 291 . 1 1 18 THR HG22 H 11.836 -8.303 -7.917 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HG22 . . rr_1pdc 1 1 . 292 . 1 1 18 THR HG23 H 10.768 -7.020 -7.361 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR HG23 . . rr_1pdc 1 1 . 293 . 1 1 18 THR N N 9.227 -6.860 -10.473 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR N . . rr_1pdc 1 1 . 294 . 1 1 18 THR O O 10.174 -4.951 -12.067 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR O . . rr_1pdc 1 1 . 295 . 1 1 18 THR OG1 O 11.715 -7.724 -10.419 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 THR OG1 . . rr_1pdc 1 1 . 296 . 1 1 19 CYS C C 12.698 -4.091 -13.029 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS C . . rr_1pdc 1 1 . 297 . 1 1 19 CYS CA C 12.296 -3.316 -11.765 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS CA . . rr_1pdc 1 1 . 298 . 1 1 19 CYS CB C 13.531 -2.565 -11.222 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS CB . . rr_1pdc 1 1 . 299 . 1 1 19 CYS H H 12.220 -4.311 -9.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS H . . rr_1pdc 1 1 . 300 . 1 1 19 CYS HA H 11.501 -2.622 -12.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS HA . . rr_1pdc 1 1 . 301 . 1 1 19 CYS HB2 H 14.342 -3.273 -11.129 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS HB2 . . rr_1pdc 1 1 . 302 . 1 1 19 CYS HB3 H 13.824 -1.830 -11.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS HB3 . . rr_1pdc 1 1 . 303 . 1 1 19 CYS N N 11.787 -4.256 -10.716 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS N . . rr_1pdc 1 1 . 304 . 1 1 19 CYS O O 12.636 -5.306 -13.053 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS O . . rr_1pdc 1 1 . 305 . 1 1 19 CYS SG S 13.366 -1.709 -9.630 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 CYS SG . . rr_1pdc 1 1 . 306 . 1 1 20 THR C C 14.340 -3.213 -16.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR C . . rr_1pdc 1 1 . 307 . 1 1 20 THR CA C 13.521 -4.106 -15.328 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR CA . . rr_1pdc 1 1 . 308 . 1 1 20 THR CB C 12.248 -4.575 -16.076 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR CB . . rr_1pdc 1 1 . 309 . 1 1 20 THR CG2 C 11.356 -3.392 -16.478 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR CG2 . . rr_1pdc 1 1 . 310 . 1 1 20 THR H H 13.181 -2.395 -13.986 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR H . . rr_1pdc 1 1 . 311 . 1 1 20 THR HA H 14.133 -4.965 -15.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HA . . rr_1pdc 1 1 . 312 . 1 1 20 THR HB H 11.705 -5.350 -15.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HB . . rr_1pdc 1 1 . 313 . 1 1 20 THR HG1 H 11.994 -5.012 -17.949 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HG1 . . rr_1pdc 1 1 . 314 . 1 1 20 THR HG21 H 11.247 -2.717 -15.642 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HG21 . . rr_1pdc 1 1 . 315 . 1 1 20 THR HG22 H 11.805 -2.864 -17.304 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HG22 . . rr_1pdc 1 1 . 316 . 1 1 20 THR HG23 H 10.383 -3.753 -16.773 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR HG23 . . rr_1pdc 1 1 . 317 . 1 1 20 THR N N 13.114 -3.383 -14.056 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR N . . rr_1pdc 1 1 . 318 . 1 1 20 THR O O 13.932 -2.124 -16.619 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR O . . rr_1pdc 1 1 . 319 . 1 1 20 THR OG1 O 12.716 -5.079 -17.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 THR OG1 . . rr_1pdc 1 1 . 320 . 1 1 21 LYS C C 15.730 -2.767 -18.954 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS C . . rr_1pdc 1 1 . 321 . 1 1 21 LYS CA C 16.359 -2.887 -17.571 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS CA . . rr_1pdc 1 1 . 322 . 1 1 21 LYS CB C 17.716 -3.601 -17.701 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS CB . . rr_1pdc 1 1 . 323 . 1 1 21 LYS CD C 20.186 -3.215 -17.811 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS CD . . rr_1pdc 1 1 . 324 . 1 1 21 LYS CE C 20.413 -4.267 -18.903 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS CE . . rr_1pdc 1 1 . 325 . 1 1 21 LYS CG C 18.805 -2.566 -18.000 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS CG . . rr_1pdc 1 1 . 326 . 1 1 21 LYS H H 15.830 -4.538 -16.314 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS H . . rr_1pdc 1 1 . 327 . 1 1 21 LYS HA H 16.483 -1.892 -17.162 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HA . . rr_1pdc 1 1 . 328 . 1 1 21 LYS HB2 H 17.945 -4.108 -16.774 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HB2 . . rr_1pdc 1 1 . 329 . 1 1 21 LYS HB3 H 17.670 -4.326 -18.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HB3 . . rr_1pdc 1 1 . 330 . 1 1 21 LYS HD2 H 20.953 -2.458 -17.875 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HD2 . . rr_1pdc 1 1 . 331 . 1 1 21 LYS HD3 H 20.237 -3.685 -16.838 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HD3 . . rr_1pdc 1 1 . 332 . 1 1 21 LYS HE2 H 19.810 -4.027 -19.770 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HE2 . . rr_1pdc 1 1 . 333 . 1 1 21 LYS HE3 H 21.457 -4.270 -19.192 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HE3 . . rr_1pdc 1 1 . 334 . 1 1 21 LYS HG2 H 18.704 -2.212 -19.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HG2 . . rr_1pdc 1 1 . 335 . 1 1 21 LYS HG3 H 18.701 -1.728 -17.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HG3 . . rr_1pdc 1 1 . 336 . 1 1 21 LYS HZ1 H 19.345 -5.529 -17.627 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HZ1 . . rr_1pdc 1 1 . 337 . 1 1 21 LYS HZ2 H 19.614 -6.184 -19.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HZ2 . . rr_1pdc 1 1 . 338 . 1 1 21 LYS HZ3 H 20.887 -6.116 -18.046 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS HZ3 . . rr_1pdc 1 1 . 339 . 1 1 21 LYS N N 15.507 -3.683 -16.656 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS N . . rr_1pdc 1 1 . 340 . 1 1 21 LYS NZ N 20.036 -5.627 -18.401 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS NZ . . rr_1pdc 1 1 . 341 . 1 1 21 LYS O O 15.880 -1.765 -19.605 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 LYS O . . rr_1pdc 1 1 . 342 . 1 1 22 ILE C C 15.284 -3.071 -21.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE C . . rr_1pdc 1 1 . 343 . 1 1 22 ILE CA C 14.396 -3.765 -20.709 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE CA . . rr_1pdc 1 1 . 344 . 1 1 22 ILE CB C 13.052 -3.035 -20.557 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE CB . . rr_1pdc 1 1 . 345 . 1 1 22 ILE CD1 C 10.946 -3.954 -21.519 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE CD1 . . rr_1pdc 1 1 . 346 . 1 1 22 ILE CG1 C 12.243 -3.200 -21.834 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE CG1 . . rr_1pdc 1 1 . 347 . 1 1 22 ILE CG2 C 13.295 -1.522 -20.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE CG2 . . rr_1pdc 1 1 . 348 . 1 1 22 ILE H H 14.936 -4.573 -18.809 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE H . . rr_1pdc 1 1 . 349 . 1 1 22 ILE HA H 14.235 -4.791 -21.031 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HA . . rr_1pdc 1 1 . 350 . 1 1 22 ILE HB H 12.505 -3.485 -19.726 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HB . . rr_1pdc 1 1 . 351 . 1 1 22 ILE HD11 H 10.643 -3.752 -20.503 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HD11 . . rr_1pdc 1 1 . 352 . 1 1 22 ILE HD12 H 10.165 -3.633 -22.194 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HD12 . . rr_1pdc 1 1 . 353 . 1 1 22 ILE HD13 H 11.104 -5.016 -21.637 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HD13 . . rr_1pdc 1 1 . 354 . 1 1 22 ILE HG12 H 12.012 -2.230 -22.247 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HG12 . . rr_1pdc 1 1 . 355 . 1 1 22 ILE HG13 H 12.821 -3.761 -22.552 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HG13 . . rr_1pdc 1 1 . 356 . 1 1 22 ILE HG21 H 14.060 -1.151 -20.961 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HG21 . . rr_1pdc 1 1 . 357 . 1 1 22 ILE HG22 H 12.381 -0.972 -20.474 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HG22 . . rr_1pdc 1 1 . 358 . 1 1 22 ILE HG23 H 13.608 -1.372 -19.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE HG23 . . rr_1pdc 1 1 . 359 . 1 1 22 ILE N N 15.043 -3.797 -19.374 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE N . . rr_1pdc 1 1 . 360 . 1 1 22 ILE O O 14.815 -2.335 -22.604 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 ILE O . . rr_1pdc 1 1 . 361 . 1 1 23 GLY C C 17.938 -1.329 -22.208 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY C . . rr_1pdc 1 1 . 362 . 1 1 23 GLY CA C 17.512 -2.734 -22.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY CA . . rr_1pdc 1 1 . 363 . 1 1 23 GLY H H 16.876 -3.980 -21.012 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY H . . rr_1pdc 1 1 . 364 . 1 1 23 GLY HA2 H 18.388 -3.359 -22.740 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY HA2 . . rr_1pdc 1 1 . 365 . 1 1 23 GLY HA3 H 17.039 -2.665 -23.626 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY HA3 . . rr_1pdc 1 1 . 366 . 1 1 23 GLY N N 16.556 -3.353 -21.689 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY N . . rr_1pdc 1 1 . 367 . 1 1 23 GLY O O 18.325 -0.512 -23.015 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 GLY O . . rr_1pdc 1 1 . 368 . 1 1 24 SER C C 19.773 0.362 -20.258 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER C . . rr_1pdc 1 1 . 369 . 1 1 24 SER CA C 18.245 0.259 -20.404 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER CA . . rr_1pdc 1 1 . 370 . 1 1 24 SER CB C 17.574 0.473 -19.036 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER CB . . rr_1pdc 1 1 . 371 . 1 1 24 SER H H 17.514 -1.767 -20.321 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER H . . rr_1pdc 1 1 . 372 . 1 1 24 SER HA H 17.918 1.014 -21.112 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER HA . . rr_1pdc 1 1 . 373 . 1 1 24 SER HB2 H 16.509 0.269 -19.089 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER HB2 . . rr_1pdc 1 1 . 374 . 1 1 24 SER HB3 H 18.037 -0.138 -18.278 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER HB3 . . rr_1pdc 1 1 . 375 . 1 1 24 SER HG H 17.302 2.369 -19.414 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER HG . . rr_1pdc 1 1 . 376 . 1 1 24 SER N N 17.851 -1.083 -20.926 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER N . . rr_1pdc 1 1 . 377 . 1 1 24 SER O O 20.499 -0.074 -21.127 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER O . . rr_1pdc 1 1 . 378 . 1 1 24 SER OG O 17.796 1.849 -18.763 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 SER OG . . rr_1pdc 1 1 . 379 . 1 1 25 MET C C 22.204 0.506 -17.640 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET C . . rr_1pdc 1 1 . 380 . 1 1 25 MET CA C 21.728 1.028 -18.995 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET CA . . rr_1pdc 1 1 . 381 . 1 1 25 MET CB C 22.105 2.516 -19.112 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET CB . . rr_1pdc 1 1 . 382 . 1 1 25 MET CE C 25.503 1.080 -20.726 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET CE . . rr_1pdc 1 1 . 383 . 1 1 25 MET CG C 23.526 2.632 -19.673 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET CG . . rr_1pdc 1 1 . 384 . 1 1 25 MET H H 19.634 1.241 -18.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET H . . rr_1pdc 1 1 . 385 . 1 1 25 MET HA H 22.215 0.452 -19.780 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HA . . rr_1pdc 1 1 . 386 . 1 1 25 MET HB2 H 21.411 3.016 -19.773 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HB2 . . rr_1pdc 1 1 . 387 . 1 1 25 MET HB3 H 22.060 2.981 -18.136 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HB3 . . rr_1pdc 1 1 . 388 . 1 1 25 MET HE1 H 25.422 0.581 -19.772 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HE1 . . rr_1pdc 1 1 . 389 . 1 1 25 MET HE2 H 25.842 0.378 -21.472 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HE2 . . rr_1pdc 1 1 . 390 . 1 1 25 MET HE3 H 26.212 1.892 -20.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HE3 . . rr_1pdc 1 1 . 391 . 1 1 25 MET HG2 H 23.734 3.677 -19.849 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HG2 . . rr_1pdc 1 1 . 392 . 1 1 25 MET HG3 H 24.216 2.283 -18.919 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET HG3 . . rr_1pdc 1 1 . 393 . 1 1 25 MET N N 20.245 0.913 -19.159 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET N . . rr_1pdc 1 1 . 394 . 1 1 25 MET O O 22.046 1.165 -16.634 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET O . . rr_1pdc 1 1 . 395 . 1 1 25 MET SD S 23.884 1.735 -21.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 MET SD . . rr_1pdc 1 1 . 396 . 1 1 26 TRP C C 22.387 -0.958 -15.180 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP C . . rr_1pdc 1 1 . 397 . 1 1 26 TRP CA C 23.295 -1.285 -16.372 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CA . . rr_1pdc 1 1 . 398 . 1 1 26 TRP CB C 24.697 -0.693 -16.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CB . . rr_1pdc 1 1 . 399 . 1 1 26 TRP CD1 C 26.111 -2.720 -15.523 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CD1 . . rr_1pdc 1 1 . 400 . 1 1 26 TRP CD2 C 25.667 -1.371 -13.865 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CD2 . . rr_1pdc 1 1 . 401 . 1 1 26 TRP CE2 C 26.457 -2.351 -13.292 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CE2 . . rr_1pdc 1 1 . 402 . 1 1 26 TRP CE3 C 25.192 -0.330 -13.086 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CE3 . . rr_1pdc 1 1 . 403 . 1 1 26 TRP CG C 25.485 -1.605 -15.153 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CG . . rr_1pdc 1 1 . 404 . 1 1 26 TRP CH2 C 26.300 -1.249 -11.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CH2 . . rr_1pdc 1 1 . 405 . 1 1 26 TRP CZ2 C 26.773 -2.290 -11.950 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CZ2 . . rr_1pdc 1 1 . 406 . 1 1 26 TRP CZ3 C 25.510 -0.270 -11.743 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP CZ3 . . rr_1pdc 1 1 . 407 . 1 1 26 TRP H H 22.897 -1.159 -18.497 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP H . . rr_1pdc 1 1 . 408 . 1 1 26 TRP HA H 23.351 -2.363 -16.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HA . . rr_1pdc 1 1 . 409 . 1 1 26 TRP HB2 H 25.237 -0.607 -17.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HB2 . . rr_1pdc 1 1 . 410 . 1 1 26 TRP HB3 H 24.601 0.287 -15.665 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HB3 . . rr_1pdc 1 1 . 411 . 1 1 26 TRP HD1 H 26.146 -3.172 -16.505 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HD1 . . rr_1pdc 1 1 . 412 . 1 1 26 TRP HE1 H 27.230 -3.966 -14.342 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HE1 . . rr_1pdc 1 1 . 413 . 1 1 26 TRP HE3 H 24.548 0.424 -13.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HE3 . . rr_1pdc 1 1 . 414 . 1 1 26 TRP HH2 H 26.548 -1.202 -10.123 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HH2 . . rr_1pdc 1 1 . 415 . 1 1 26 TRP HZ2 H 27.392 -3.055 -11.506 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HZ2 . . rr_1pdc 1 1 . 416 . 1 1 26 TRP HZ3 H 25.140 0.545 -11.136 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP HZ3 . . rr_1pdc 1 1 . 417 . 1 1 26 TRP N N 22.787 -0.678 -17.650 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP N . . rr_1pdc 1 1 . 418 . 1 1 26 TRP NE1 N 26.689 -3.151 -14.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP NE1 . . rr_1pdc 1 1 . 419 . 1 1 26 TRP O O 22.852 -0.761 -14.086 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 TRP O . . rr_1pdc 1 1 . 420 . 1 1 27 MET C C 18.793 -1.110 -14.641 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET C . . rr_1pdc 1 1 . 421 . 1 1 27 MET CA C 20.196 -0.615 -14.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET CA . . rr_1pdc 1 1 . 422 . 1 1 27 MET CB C 20.216 0.919 -14.139 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET CB . . rr_1pdc 1 1 . 423 . 1 1 27 MET CE C 18.070 -0.379 -11.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET CE . . rr_1pdc 1 1 . 424 . 1 1 27 MET CG C 19.613 1.340 -12.800 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET CG . . rr_1pdc 1 1 . 425 . 1 1 27 MET H H 20.749 -1.109 -16.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET H . . rr_1pdc 1 1 . 426 . 1 1 27 MET HA H 20.542 -1.110 -13.391 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HA . . rr_1pdc 1 1 . 427 . 1 1 27 MET HB2 H 21.221 1.265 -14.198 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HB2 . . rr_1pdc 1 1 . 428 . 1 1 27 MET HB3 H 19.666 1.362 -14.933 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HB3 . . rr_1pdc 1 1 . 429 . 1 1 27 MET HE1 H 17.451 0.314 -11.937 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HE1 . . rr_1pdc 1 1 . 430 . 1 1 27 MET HE2 H 18.014 -1.357 -11.842 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HE2 . . rr_1pdc 1 1 . 431 . 1 1 27 MET HE3 H 17.726 -0.435 -10.366 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HE3 . . rr_1pdc 1 1 . 432 . 1 1 27 MET HG2 H 20.079 2.268 -12.509 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HG2 . . rr_1pdc 1 1 . 433 . 1 1 27 MET HG3 H 18.568 1.540 -12.945 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET HG3 . . rr_1pdc 1 1 . 434 . 1 1 27 MET N N 21.106 -0.927 -15.407 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET N . . rr_1pdc 1 1 . 435 . 1 1 27 MET O O 18.645 -2.198 -15.163 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET O . . rr_1pdc 1 1 . 436 . 1 1 27 MET SD S 19.780 0.194 -11.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 MET SD . . rr_1pdc 1 1 . 437 . 1 1 28 SER C C 15.400 0.281 -14.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER C . . rr_1pdc 1 1 . 438 . 1 1 28 SER CA C 16.392 -0.723 -14.685 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER CA . . rr_1pdc 1 1 . 439 . 1 1 28 SER CB C 16.115 -2.093 -14.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER CB . . rr_1pdc 1 1 . 440 . 1 1 28 SER H H 17.974 0.571 -13.992 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER H . . rr_1pdc 1 1 . 441 . 1 1 28 SER HA H 16.272 -0.771 -15.758 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER HA . . rr_1pdc 1 1 . 442 . 1 1 28 SER HB2 H 15.216 -2.516 -14.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER HB2 . . rr_1pdc 1 1 . 443 . 1 1 28 SER HB3 H 16.939 -2.768 -14.178 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER HB3 . . rr_1pdc 1 1 . 444 . 1 1 28 SER HG H 16.390 -0.960 -12.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER HG . . rr_1pdc 1 1 . 445 . 1 1 28 SER N N 17.799 -0.308 -14.374 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER N . . rr_1pdc 1 1 . 446 . 1 1 28 SER O O 15.795 1.255 -13.550 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER O . . rr_1pdc 1 1 . 447 . 1 1 28 SER OG O 15.957 -1.803 -12.652 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 SER OG . . rr_1pdc 1 1 . 448 . 1 1 29 TRP C C 11.909 0.203 -13.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP C . . rr_1pdc 1 1 . 449 . 1 1 29 TRP CA C 13.081 0.959 -13.766 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CA . . rr_1pdc 1 1 . 450 . 1 1 29 TRP CB C 12.558 1.791 -14.920 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CB . . rr_1pdc 1 1 . 451 . 1 1 29 TRP CD1 C 12.571 0.192 -16.867 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CD1 . . rr_1pdc 1 1 . 452 . 1 1 29 TRP CD2 C 10.648 0.603 -15.949 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CD2 . . rr_1pdc 1 1 . 453 . 1 1 29 TRP CE2 C 10.332 -0.277 -16.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CE2 . . rr_1pdc 1 1 . 454 . 1 1 29 TRP CE3 C 9.667 1.100 -15.123 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CE3 . . rr_1pdc 1 1 . 455 . 1 1 29 TRP CG C 11.922 0.862 -15.922 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CG . . rr_1pdc 1 1 . 456 . 1 1 29 TRP CH2 C 8.045 -0.162 -16.284 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CH2 . . rr_1pdc 1 1 . 457 . 1 1 29 TRP CZ2 C 9.029 -0.661 -17.109 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CZ2 . . rr_1pdc 1 1 . 458 . 1 1 29 TRP CZ3 C 8.367 0.715 -15.294 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP CZ3 . . rr_1pdc 1 1 . 459 . 1 1 29 TRP H H 13.853 -0.790 -14.781 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP H . . rr_1pdc 1 1 . 460 . 1 1 29 TRP HA H 13.514 1.589 -13.021 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HA . . rr_1pdc 1 1 . 461 . 1 1 29 TRP HB2 H 11.817 2.485 -14.566 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HB2 . . rr_1pdc 1 1 . 462 . 1 1 29 TRP HB3 H 13.359 2.335 -15.372 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HB3 . . rr_1pdc 1 1 . 463 . 1 1 29 TRP HD1 H 13.654 0.102 -17.014 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HD1 . . rr_1pdc 1 1 . 464 . 1 1 29 TRP HE1 H 11.739 -1.095 -18.221 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HE1 . . rr_1pdc 1 1 . 465 . 1 1 29 TRP HE3 H 9.926 1.789 -14.334 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HE3 . . rr_1pdc 1 1 . 466 . 1 1 29 TRP HH2 H 7.020 -0.451 -16.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HH2 . . rr_1pdc 1 1 . 467 . 1 1 29 TRP HZ2 H 8.776 -1.350 -17.878 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HZ2 . . rr_1pdc 1 1 . 468 . 1 1 29 TRP HZ3 H 7.600 1.102 -14.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP HZ3 . . rr_1pdc 1 1 . 469 . 1 1 29 TRP N N 14.124 0.015 -14.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP N . . rr_1pdc 1 1 . 470 . 1 1 29 TRP NE1 N 11.582 -0.492 -17.474 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP NE1 . . rr_1pdc 1 1 . 471 . 1 1 29 TRP O O 11.778 -0.996 -13.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 TRP O . . rr_1pdc 1 1 . 472 . 1 1 30 CYS C C 8.584 0.960 -12.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS C . . rr_1pdc 1 1 . 473 . 1 1 30 CYS CA C 9.887 0.297 -11.762 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS CA . . rr_1pdc 1 1 . 474 . 1 1 30 CYS CB C 10.019 0.483 -10.243 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS CB . . rr_1pdc 1 1 . 475 . 1 1 30 CYS H H 11.220 1.902 -12.343 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS H . . rr_1pdc 1 1 . 476 . 1 1 30 CYS HA H 9.855 -0.760 -12.023 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS HA . . rr_1pdc 1 1 . 477 . 1 1 30 CYS HB2 H 10.518 -0.386 -9.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS HB2 . . rr_1pdc 1 1 . 478 . 1 1 30 CYS HB3 H 10.655 1.338 -10.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS HB3 . . rr_1pdc 1 1 . 479 . 1 1 30 CYS N N 11.073 0.933 -12.425 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS N . . rr_1pdc 1 1 . 480 . 1 1 30 CYS O O 8.581 2.106 -12.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS O . . rr_1pdc 1 1 . 481 . 1 1 30 CYS SG S 8.490 0.728 -9.301 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 CYS SG . . rr_1pdc 1 1 . 482 . 1 1 31 SER C C 5.370 1.309 -11.359 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER C . . rr_1pdc 1 1 . 483 . 1 1 31 SER CA C 6.187 0.799 -12.546 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER CA . . rr_1pdc 1 1 . 484 . 1 1 31 SER CB C 5.396 -0.316 -13.235 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER CB . . rr_1pdc 1 1 . 485 . 1 1 31 SER H H 7.560 -0.680 -11.771 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER H . . rr_1pdc 1 1 . 486 . 1 1 31 SER HA H 6.363 1.624 -13.234 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER HA . . rr_1pdc 1 1 . 487 . 1 1 31 SER HB2 H 6.057 -1.109 -13.544 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER HB2 . . rr_1pdc 1 1 . 488 . 1 1 31 SER HB3 H 4.625 -0.701 -12.584 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER HB3 . . rr_1pdc 1 1 . 489 . 1 1 31 SER HG H 4.444 1.160 -14.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER HG . . rr_1pdc 1 1 . 490 . 1 1 31 SER N N 7.505 0.232 -12.120 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER N . . rr_1pdc 1 1 . 491 . 1 1 31 SER O O 5.110 0.581 -10.416 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER O . . rr_1pdc 1 1 . 492 . 1 1 31 SER OG O 4.813 0.310 -14.375 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 SER OG . . rr_1pdc 1 1 . 493 . 1 1 32 LEU C C 2.730 2.610 -10.372 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU C . . rr_1pdc 1 1 . 494 . 1 1 32 LEU CA C 4.158 3.154 -10.342 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CA . . rr_1pdc 1 1 . 495 . 1 1 32 LEU CB C 4.137 4.677 -10.537 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CB . . rr_1pdc 1 1 . 496 . 1 1 32 LEU CD1 C 5.684 6.603 -10.899 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CD1 . . rr_1pdc 1 1 . 497 . 1 1 32 LEU CD2 C 5.676 5.417 -8.715 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CD2 . . rr_1pdc 1 1 . 498 . 1 1 32 LEU CG C 5.529 5.241 -10.225 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU CG . . rr_1pdc 1 1 . 499 . 1 1 32 LEU H H 5.182 3.086 -12.234 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU H . . rr_1pdc 1 1 . 500 . 1 1 32 LEU HA H 4.613 2.889 -9.390 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HA . . rr_1pdc 1 1 . 501 . 1 1 32 LEU HB2 H 3.873 4.910 -11.558 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HB2 . . rr_1pdc 1 1 . 502 . 1 1 32 LEU HB3 H 3.408 5.119 -9.873 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HB3 . . rr_1pdc 1 1 . 503 . 1 1 32 LEU HD11 H 4.828 7.222 -10.672 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD11 . . rr_1pdc 1 1 . 504 . 1 1 32 LEU HD12 H 6.579 7.089 -10.540 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD12 . . rr_1pdc 1 1 . 505 . 1 1 32 LEU HD13 H 5.754 6.475 -11.969 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD13 . . rr_1pdc 1 1 . 506 . 1 1 32 LEU HD21 H 4.878 6.043 -8.342 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD21 . . rr_1pdc 1 1 . 507 . 1 1 32 LEU HD22 H 5.629 4.454 -8.228 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD22 . . rr_1pdc 1 1 . 508 . 1 1 32 LEU HD23 H 6.625 5.881 -8.492 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HD23 . . rr_1pdc 1 1 . 509 . 1 1 32 LEU HG H 6.290 4.564 -10.591 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU HG . . rr_1pdc 1 1 . 510 . 1 1 32 LEU N N 4.964 2.555 -11.443 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU N . . rr_1pdc 1 1 . 511 . 1 1 32 LEU O O 2.318 1.914 -9.468 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 LEU O . . rr_1pdc 1 1 . 512 . 1 1 33 SER C C 0.616 0.983 -11.987 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER C . . rr_1pdc 1 1 . 513 . 1 1 33 SER CA C 0.591 2.427 -11.486 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER CA . . rr_1pdc 1 1 . 514 . 1 1 33 SER CB C -0.199 3.300 -12.485 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER CB . . rr_1pdc 1 1 . 515 . 1 1 33 SER H H 2.347 3.523 -12.122 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER H . . rr_1pdc 1 1 . 516 . 1 1 33 SER HA H 0.142 2.452 -10.495 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER HA . . rr_1pdc 1 1 . 517 . 1 1 33 SER HB2 H -1.201 2.927 -12.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER HB2 . . rr_1pdc 1 1 . 518 . 1 1 33 SER HB3 H -0.221 4.327 -12.158 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER HB3 . . rr_1pdc 1 1 . 519 . 1 1 33 SER HG H 0.136 2.472 -14.231 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER HG . . rr_1pdc 1 1 . 520 . 1 1 33 SER N N 1.989 2.939 -11.409 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER N . . rr_1pdc 1 1 . 521 . 1 1 33 SER O O 1.592 0.546 -12.561 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER O . . rr_1pdc 1 1 . 522 . 1 1 33 SER OG O 0.527 3.190 -13.700 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 SER OG . . rr_1pdc 1 1 . 523 . 1 1 34 PRO C C -0.290 -1.286 -13.677 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO C . . rr_1pdc 1 1 . 524 . 1 1 34 PRO CA C -0.541 -1.154 -12.168 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO CA . . rr_1pdc 1 1 . 525 . 1 1 34 PRO CB C -1.980 -1.583 -11.809 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO CB . . rr_1pdc 1 1 . 526 . 1 1 34 PRO CD C -1.632 0.761 -11.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO CD . . rr_1pdc 1 1 . 527 . 1 1 34 PRO CG C -2.675 -0.365 -11.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO CG . . rr_1pdc 1 1 . 528 . 1 1 34 PRO HA H 0.192 -1.748 -11.625 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HA . . rr_1pdc 1 1 . 529 . 1 1 34 PRO HB2 H -2.519 -1.866 -12.701 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HB2 . . rr_1pdc 1 1 . 530 . 1 1 34 PRO HB3 H -1.951 -2.416 -11.126 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HB3 . . rr_1pdc 1 1 . 531 . 1 1 34 PRO HD2 H -1.997 1.661 -11.481 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HD2 . . rr_1pdc 1 1 . 532 . 1 1 34 PRO HD3 H -1.384 0.948 -9.979 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HD3 . . rr_1pdc 1 1 . 533 . 1 1 34 PRO HG2 H -3.513 -0.035 -11.722 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HG2 . . rr_1pdc 1 1 . 534 . 1 1 34 PRO HG3 H -3.022 -0.643 -10.139 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO HG3 . . rr_1pdc 1 1 . 535 . 1 1 34 PRO N N -0.452 0.250 -11.734 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO N . . rr_1pdc 1 1 . 536 . 1 1 34 PRO O O 0.716 -1.826 -14.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 PRO O . . rr_1pdc 1 1 . 537 . 1 1 35 ASN C C -0.071 0.212 -16.357 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN C . . rr_1pdc 1 1 . 538 . 1 1 35 ASN CA C -1.011 -0.897 -15.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN CA . . rr_1pdc 1 1 . 539 . 1 1 35 ASN CB C -2.377 -0.728 -16.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN CB . . rr_1pdc 1 1 . 540 . 1 1 35 ASN CG C -2.176 -0.503 -18.140 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN CG . . rr_1pdc 1 1 . 541 . 1 1 35 ASN H H -2.004 -0.375 -14.093 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN H . . rr_1pdc 1 1 . 542 . 1 1 35 ASN HA H -0.554 -1.854 -16.181 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN HA . . rr_1pdc 1 1 . 543 . 1 1 35 ASN HB2 H -2.971 -1.617 -16.484 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN HB2 . . rr_1pdc 1 1 . 544 . 1 1 35 ASN HB3 H -2.896 0.112 -16.216 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN HB3 . . rr_1pdc 1 1 . 545 . 1 1 35 ASN HD21 H -3.544 -1.833 -18.653 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN HD21 . . rr_1pdc 1 1 . 546 . 1 1 35 ASN HD22 H -2.769 -1.048 -19.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN HD22 . . rr_1pdc 1 1 . 547 . 1 1 35 ASN N N -1.206 -0.801 -14.464 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN N . . rr_1pdc 1 1 . 548 . 1 1 35 ASN ND2 N -2.889 -1.185 -18.979 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN ND2 . . rr_1pdc 1 1 . 549 . 1 1 35 ASN O O -0.132 1.312 -15.837 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN O . . rr_1pdc 1 1 . 550 . 1 1 35 ASN OD1 O -1.368 0.289 -18.561 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 ASN OD1 . . rr_1pdc 1 1 . 551 . 1 1 36 TYR C C 1.241 1.633 -18.972 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR C . . rr_1pdc 1 1 . 552 . 1 1 36 TYR CA C 1.751 0.926 -17.731 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CA . . rr_1pdc 1 1 . 553 . 1 1 36 TYR CB C 3.059 0.204 -18.072 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CB . . rr_1pdc 1 1 . 554 . 1 1 36 TYR CD1 C 4.254 1.561 -19.798 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CD1 . . rr_1pdc 1 1 . 555 . 1 1 36 TYR CD2 C 5.010 1.702 -17.557 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CD2 . . rr_1pdc 1 1 . 556 . 1 1 36 TYR CE1 C 5.245 2.415 -20.192 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CE1 . . rr_1pdc 1 1 . 557 . 1 1 36 TYR CE2 C 6.005 2.558 -17.955 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CE2 . . rr_1pdc 1 1 . 558 . 1 1 36 TYR CG C 4.128 1.196 -18.478 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CG . . rr_1pdc 1 1 . 559 . 1 1 36 TYR CZ C 6.129 2.922 -19.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR CZ . . rr_1pdc 1 1 . 560 . 1 1 36 TYR H H 0.812 -0.998 -17.648 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR H . . rr_1pdc 1 1 . 561 . 1 1 36 TYR HA H 1.902 1.658 -16.948 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HA . . rr_1pdc 1 1 . 562 . 1 1 36 TYR HB2 H 3.396 -0.372 -17.227 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HB2 . . rr_1pdc 1 1 . 563 . 1 1 36 TYR HB3 H 2.894 -0.448 -18.890 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HB3 . . rr_1pdc 1 1 . 564 . 1 1 36 TYR HD1 H 3.564 1.170 -20.531 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HD1 . . rr_1pdc 1 1 . 565 . 1 1 36 TYR HD2 H 4.925 1.422 -16.514 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HD2 . . rr_1pdc 1 1 . 566 . 1 1 36 TYR HE1 H 5.332 2.685 -21.227 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HE1 . . rr_1pdc 1 1 . 567 . 1 1 36 TYR HE2 H 6.698 2.931 -17.233 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HE2 . . rr_1pdc 1 1 . 568 . 1 1 36 TYR HH H 7.649 4.002 -18.909 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR HH . . rr_1pdc 1 1 . 569 . 1 1 36 TYR N N 0.797 -0.096 -17.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR N . . rr_1pdc 1 1 . 570 . 1 1 36 TYR O O 0.842 2.772 -18.915 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR O . . rr_1pdc 1 1 . 571 . 1 1 36 TYR OH O 7.132 3.764 -19.684 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 TYR OH . . rr_1pdc 1 1 . 572 . 1 1 37 ASP C C 1.391 2.935 -21.608 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP C . . rr_1pdc 1 1 . 573 . 1 1 37 ASP CA C 0.796 1.521 -21.356 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP CA . . rr_1pdc 1 1 . 574 . 1 1 37 ASP CB C -0.730 1.602 -21.304 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP CB . . rr_1pdc 1 1 . 575 . 1 1 37 ASP CG C -1.281 1.841 -22.711 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP CG . . rr_1pdc 1 1 . 576 . 1 1 37 ASP H H 1.557 -0.005 -20.033 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP H . . rr_1pdc 1 1 . 577 . 1 1 37 ASP HA H 1.114 0.872 -22.166 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP HA . . rr_1pdc 1 1 . 578 . 1 1 37 ASP HB2 H -1.132 0.678 -20.920 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP HB2 . . rr_1pdc 1 1 . 579 . 1 1 37 ASP HB3 H -1.026 2.410 -20.661 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP HB3 . . rr_1pdc 1 1 . 580 . 1 1 37 ASP N N 1.268 0.931 -20.068 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP N . . rr_1pdc 1 1 . 581 . 1 1 37 ASP O O 1.005 3.607 -22.542 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP O . . rr_1pdc 1 1 . 582 . 1 1 37 ASP OD1 O -0.728 1.239 -23.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP OD1 . . rr_1pdc 1 1 . 583 . 1 1 37 ASP OD2 O -2.228 2.597 -22.796 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASP OD2 . . rr_1pdc 1 1 . 584 . 1 1 38 LYS C C 2.287 5.753 -20.067 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS C . . rr_1pdc 1 1 . 585 . 1 1 38 LYS CA C 3.004 4.678 -20.875 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS CA . . rr_1pdc 1 1 . 586 . 1 1 38 LYS CB C 3.083 5.112 -22.361 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS CB . . rr_1pdc 1 1 . 587 . 1 1 38 LYS CD C 5.164 4.065 -23.310 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS CD . . rr_1pdc 1 1 . 588 . 1 1 38 LYS CE C 5.730 2.758 -23.873 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS CE . . rr_1pdc 1 1 . 589 . 1 1 38 LYS CG C 3.639 3.952 -23.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS CG . . rr_1pdc 1 1 . 590 . 1 1 38 LYS H H 2.570 2.754 -20.010 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS H . . rr_1pdc 1 1 . 591 . 1 1 38 LYS HA H 4.005 4.585 -20.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HA . . rr_1pdc 1 1 . 592 . 1 1 38 LYS HB2 H 2.099 5.384 -22.714 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HB2 . . rr_1pdc 1 1 . 593 . 1 1 38 LYS HB3 H 3.733 5.970 -22.450 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HB3 . . rr_1pdc 1 1 . 594 . 1 1 38 LYS HD2 H 5.427 4.884 -23.962 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HD2 . . rr_1pdc 1 1 . 595 . 1 1 38 LYS HD3 H 5.575 4.249 -22.328 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HD3 . . rr_1pdc 1 1 . 596 . 1 1 38 LYS HE2 H 5.292 1.917 -23.349 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HE2 . . rr_1pdc 1 1 . 597 . 1 1 38 LYS HE3 H 5.486 2.682 -24.925 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HE3 . . rr_1pdc 1 1 . 598 . 1 1 38 LYS HG2 H 3.376 3.008 -22.768 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HG2 . . rr_1pdc 1 1 . 599 . 1 1 38 LYS HG3 H 3.212 4.000 -24.210 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HG3 . . rr_1pdc 1 1 . 600 . 1 1 38 LYS HZ1 H 7.518 3.518 -23.109 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HZ1 . . rr_1pdc 1 1 . 601 . 1 1 38 LYS HZ2 H 7.497 1.822 -23.260 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HZ2 . . rr_1pdc 1 1 . 602 . 1 1 38 LYS HZ3 H 7.672 2.800 -24.643 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS HZ3 . . rr_1pdc 1 1 . 603 . 1 1 38 LYS N N 2.332 3.333 -20.754 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS N . . rr_1pdc 1 1 . 604 . 1 1 38 LYS NZ N 7.216 2.721 -23.709 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS NZ . . rr_1pdc 1 1 . 605 . 1 1 38 LYS O O 2.682 6.900 -20.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 LYS O . . rr_1pdc 1 1 . 606 . 1 1 39 ASP C C 1.367 6.774 -17.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP C . . rr_1pdc 1 1 . 607 . 1 1 39 ASP CA C 0.513 6.369 -18.559 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP CA . . rr_1pdc 1 1 . 608 . 1 1 39 ASP CB C -0.786 5.695 -18.059 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP CB . . rr_1pdc 1 1 . 609 . 1 1 39 ASP CG C -1.631 6.698 -17.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP CG . . rr_1pdc 1 1 . 610 . 1 1 39 ASP H H 0.961 4.440 -19.398 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP H . . rr_1pdc 1 1 . 611 . 1 1 39 ASP HA H 0.298 7.247 -19.165 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP HA . . rr_1pdc 1 1 . 612 . 1 1 39 ASP HB2 H -1.357 5.334 -18.898 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP HB2 . . rr_1pdc 1 1 . 613 . 1 1 39 ASP HB3 H -0.538 4.861 -17.419 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP HB3 . . rr_1pdc 1 1 . 614 . 1 1 39 ASP N N 1.255 5.372 -19.375 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP N . . rr_1pdc 1 1 . 615 . 1 1 39 ASP O O 1.025 6.462 -16.219 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP O . . rr_1pdc 1 1 . 616 . 1 1 39 ASP OD1 O -1.347 7.876 -17.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP OD1 . . rr_1pdc 1 1 . 617 . 1 1 39 ASP OD2 O -2.501 6.228 -16.548 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 ASP OD2 . . rr_1pdc 1 1 . 618 . 1 1 40 ARG C C 3.373 6.882 -15.384 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG C . . rr_1pdc 1 1 . 619 . 1 1 40 ARG CA C 3.377 7.922 -16.494 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG CA . . rr_1pdc 1 1 . 620 . 1 1 40 ARG CB C 2.903 9.305 -15.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG CB . . rr_1pdc 1 1 . 621 . 1 1 40 ARG CD C 1.446 8.883 -13.913 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG CD . . rr_1pdc 1 1 . 622 . 1 1 40 ARG CG C 1.449 9.235 -15.414 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG CG . . rr_1pdc 1 1 . 623 . 1 1 40 ARG CZ C -0.259 7.181 -13.688 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG CZ . . rr_1pdc 1 1 . 624 . 1 1 40 ARG H H 2.681 7.716 -18.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG H . . rr_1pdc 1 1 . 625 . 1 1 40 ARG HA H 4.391 7.995 -16.888 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HA . . rr_1pdc 1 1 . 626 . 1 1 40 ARG HB2 H 3.560 9.612 -15.141 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HB2 . . rr_1pdc 1 1 . 627 . 1 1 40 ARG HB3 H 2.958 10.039 -16.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HB3 . . rr_1pdc 1 1 . 628 . 1 1 40 ARG HD2 H 2.441 9.003 -13.504 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HD2 . . rr_1pdc 1 1 . 629 . 1 1 40 ARG HD3 H 0.766 9.538 -13.385 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HD3 . . rr_1pdc 1 1 . 630 . 1 1 40 ARG HE H 1.668 6.730 -13.669 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HE . . rr_1pdc 1 1 . 631 . 1 1 40 ARG HG2 H 0.974 10.196 -15.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HG2 . . rr_1pdc 1 1 . 632 . 1 1 40 ARG HG3 H 0.899 8.501 -15.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HG3 . . rr_1pdc 1 1 . 633 . 1 1 40 ARG HH11 H -0.483 7.462 -15.625 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HH11 . . rr_1pdc 1 1 . 634 . 1 1 40 ARG HH12 H -1.913 7.015 -14.764 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HH12 . . rr_1pdc 1 1 . 635 . 1 1 40 ARG HH21 H -0.215 6.850 -11.743 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HH21 . . rr_1pdc 1 1 . 636 . 1 1 40 ARG HH22 H -1.752 6.655 -12.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG HH22 . . rr_1pdc 1 1 . 637 . 1 1 40 ARG N N 2.467 7.480 -17.609 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG N . . rr_1pdc 1 1 . 638 . 1 1 40 ARG NE N 1.001 7.457 -13.737 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG NE . . rr_1pdc 1 1 . 639 . 1 1 40 ARG NH1 N -0.936 7.222 -14.767 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG NH1 . . rr_1pdc 1 1 . 640 . 1 1 40 ARG NH2 N -0.783 6.873 -12.560 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG NH2 . . rr_1pdc 1 1 . 641 . 1 1 40 ARG O O 3.516 7.195 -14.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ARG O . . rr_1pdc 1 1 . 642 . 1 1 41 ALA C C 4.618 4.085 -14.337 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA C . . rr_1pdc 1 1 . 643 . 1 1 41 ALA CA C 3.244 4.554 -14.784 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA CA . . rr_1pdc 1 1 . 644 . 1 1 41 ALA CB C 2.514 3.371 -15.422 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA CB . . rr_1pdc 1 1 . 645 . 1 1 41 ALA H H 3.202 5.434 -16.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA H . . rr_1pdc 1 1 . 646 . 1 1 41 ALA HA H 2.711 4.899 -13.923 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA HA . . rr_1pdc 1 1 . 647 . 1 1 41 ALA HB1 H 1.532 3.681 -15.751 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA HB1 . . rr_1pdc 1 1 . 648 . 1 1 41 ALA HB2 H 3.077 3.014 -16.270 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA HB2 . . rr_1pdc 1 1 . 649 . 1 1 41 ALA HB3 H 2.413 2.573 -14.702 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA HB3 . . rr_1pdc 1 1 . 650 . 1 1 41 ALA N N 3.268 5.643 -15.785 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA N . . rr_1pdc 1 1 . 651 . 1 1 41 ALA O O 4.779 2.929 -14.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 ALA O . . rr_1pdc 1 1 . 652 . 1 1 42 TRP C C 7.904 5.530 -13.450 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP C . . rr_1pdc 1 1 . 653 . 1 1 42 TRP CA C 6.919 4.452 -13.890 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CA . . rr_1pdc 1 1 . 654 . 1 1 42 TRP CB C 7.544 3.652 -15.035 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CB . . rr_1pdc 1 1 . 655 . 1 1 42 TRP CD1 C 6.899 5.415 -16.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CD1 . . rr_1pdc 1 1 . 656 . 1 1 42 TRP CD2 C 8.872 4.528 -16.977 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CD2 . . rr_1pdc 1 1 . 657 . 1 1 42 TRP CE2 C 8.783 5.400 -18.042 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CE2 . . rr_1pdc 1 1 . 658 . 1 1 42 TRP CE3 C 9.985 3.727 -16.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CE3 . . rr_1pdc 1 1 . 659 . 1 1 42 TRP CG C 7.785 4.554 -16.245 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CG . . rr_1pdc 1 1 . 660 . 1 1 42 TRP CH2 C 10.923 4.655 -18.811 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CH2 . . rr_1pdc 1 1 . 661 . 1 1 42 TRP CZ2 C 9.811 5.465 -18.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CZ2 . . rr_1pdc 1 1 . 662 . 1 1 42 TRP CZ3 C 11.002 3.784 -17.744 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP CZ3 . . rr_1pdc 1 1 . 663 . 1 1 42 TRP H H 5.452 5.879 -14.589 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP H . . rr_1pdc 1 1 . 664 . 1 1 42 TRP HA H 6.759 3.795 -13.043 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HA . . rr_1pdc 1 1 . 665 . 1 1 42 TRP HB2 H 8.482 3.235 -14.713 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HB2 . . rr_1pdc 1 1 . 666 . 1 1 42 TRP HB3 H 6.879 2.850 -15.317 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HB3 . . rr_1pdc 1 1 . 667 . 1 1 42 TRP HD1 H 5.865 5.547 -16.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HD1 . . rr_1pdc 1 1 . 668 . 1 1 42 TRP HE1 H 7.129 6.608 -18.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HE1 . . rr_1pdc 1 1 . 669 . 1 1 42 TRP HE3 H 10.078 3.082 -15.967 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HE3 . . rr_1pdc 1 1 . 670 . 1 1 42 TRP HH2 H 11.732 4.706 -19.527 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HH2 . . rr_1pdc 1 1 . 671 . 1 1 42 TRP HZ2 H 9.746 6.147 -19.795 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HZ2 . . rr_1pdc 1 1 . 672 . 1 1 42 TRP HZ3 H 11.841 3.116 -17.651 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP HZ3 . . rr_1pdc 1 1 . 673 . 1 1 42 TRP N N 5.594 4.945 -14.334 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP N . . rr_1pdc 1 1 . 674 . 1 1 42 TRP NE1 N 7.527 5.920 -17.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP NE1 . . rr_1pdc 1 1 . 675 . 1 1 42 TRP O O 7.633 6.718 -13.441 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 TRP O . . rr_1pdc 1 1 . 676 . 1 1 43 LYS C C 11.403 4.991 -12.893 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS C . . rr_1pdc 1 1 . 677 . 1 1 43 LYS CA C 10.181 5.838 -12.637 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS CA . . rr_1pdc 1 1 . 678 . 1 1 43 LYS CB C 10.029 6.112 -11.127 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS CB . . rr_1pdc 1 1 . 679 . 1 1 43 LYS CD C 9.935 5.046 -8.860 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS CD . . rr_1pdc 1 1 . 680 . 1 1 43 LYS CE C 11.266 5.265 -8.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS CE . . rr_1pdc 1 1 . 681 . 1 1 43 LYS CG C 10.198 4.797 -10.350 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS CG . . rr_1pdc 1 1 . 682 . 1 1 43 LYS H H 9.158 4.049 -13.150 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS H . . rr_1pdc 1 1 . 683 . 1 1 43 LYS HA H 10.246 6.748 -13.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HA . . rr_1pdc 1 1 . 684 . 1 1 43 LYS HB2 H 10.779 6.821 -10.810 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HB2 . . rr_1pdc 1 1 . 685 . 1 1 43 LYS HB3 H 9.050 6.525 -10.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HB3 . . rr_1pdc 1 1 . 686 . 1 1 43 LYS HD2 H 9.310 5.919 -8.742 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HD2 . . rr_1pdc 1 1 . 687 . 1 1 43 LYS HD3 H 9.428 4.190 -8.434 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HD3 . . rr_1pdc 1 1 . 688 . 1 1 43 LYS HE2 H 11.887 4.384 -8.246 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HE2 . . rr_1pdc 1 1 . 689 . 1 1 43 LYS HE3 H 11.780 6.114 -8.572 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HE3 . . rr_1pdc 1 1 . 690 . 1 1 43 LYS HG2 H 9.498 4.063 -10.725 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HG2 . . rr_1pdc 1 1 . 691 . 1 1 43 LYS HG3 H 11.204 4.423 -10.484 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HG3 . . rr_1pdc 1 1 . 692 . 1 1 43 LYS HZ1 H 10.251 4.913 -6.348 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HZ1 . . rr_1pdc 1 1 . 693 . 1 1 43 LYS HZ2 H 11.893 5.319 -6.148 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HZ2 . . rr_1pdc 1 1 . 694 . 1 1 43 LYS HZ3 H 10.760 6.523 -6.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS HZ3 . . rr_1pdc 1 1 . 695 . 1 1 43 LYS N N 9.043 5.025 -13.101 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS N . . rr_1pdc 1 1 . 696 . 1 1 43 LYS NZ N 11.024 5.524 -6.686 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS NZ . . rr_1pdc 1 1 . 697 . 1 1 43 LYS O O 11.285 3.774 -12.919 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 LYS O . . rr_1pdc 1 1 . 698 . 1 1 44 TYR C C 14.059 4.037 -11.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR C . . rr_1pdc 1 1 . 699 . 1 1 44 TYR CA C 13.680 4.664 -13.329 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CA . . rr_1pdc 1 1 . 700 . 1 1 44 TYR CB C 14.869 5.427 -13.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CB . . rr_1pdc 1 1 . 701 . 1 1 44 TYR CD1 C 15.375 3.613 -15.594 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CD1 . . rr_1pdc 1 1 . 702 . 1 1 44 TYR CD2 C 17.108 4.168 -14.057 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CD2 . . rr_1pdc 1 1 . 703 . 1 1 44 TYR CE1 C 16.173 2.662 -16.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CE1 . . rr_1pdc 1 1 . 704 . 1 1 44 TYR CE2 C 17.910 3.210 -14.650 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CE2 . . rr_1pdc 1 1 . 705 . 1 1 44 TYR CG C 15.827 4.377 -14.528 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CG . . rr_1pdc 1 1 . 706 . 1 1 44 TYR CZ C 17.442 2.452 -15.713 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR CZ . . rr_1pdc 1 1 . 707 . 1 1 44 TYR H H 12.656 6.543 -13.064 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR H . . rr_1pdc 1 1 . 708 . 1 1 44 TYR HA H 13.344 3.866 -13.993 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HA . . rr_1pdc 1 1 . 709 . 1 1 44 TYR HB2 H 14.527 6.087 -14.725 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HB2 . . rr_1pdc 1 1 . 710 . 1 1 44 TYR HB3 H 15.379 5.999 -13.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HB3 . . rr_1pdc 1 1 . 711 . 1 1 44 TYR HD1 H 14.383 3.784 -15.985 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HD1 . . rr_1pdc 1 1 . 712 . 1 1 44 TYR HD2 H 17.486 4.736 -13.222 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HD2 . . rr_1pdc 1 1 . 713 . 1 1 44 TYR HE1 H 15.787 2.057 -16.996 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HE1 . . rr_1pdc 1 1 . 714 . 1 1 44 TYR HE2 H 18.910 3.059 -14.287 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HE2 . . rr_1pdc 1 1 . 715 . 1 1 44 TYR HH H 18.417 1.801 -17.201 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR HH . . rr_1pdc 1 1 . 716 . 1 1 44 TYR N N 12.552 5.569 -13.082 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR N . . rr_1pdc 1 1 . 717 . 1 1 44 TYR O O 13.742 4.583 -10.936 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR O . . rr_1pdc 1 1 . 718 . 1 1 44 TYR OH O 18.235 1.506 -16.305 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 TYR OH . . rr_1pdc 1 1 . 719 . 1 1 45 CYS C C 16.606 2.389 -10.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS C . . rr_1pdc 1 1 . 720 . 1 1 45 CYS CA C 15.113 2.260 -10.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS CA . . rr_1pdc 1 1 . 721 . 1 1 45 CYS CB C 14.736 0.746 -10.812 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS CB . . rr_1pdc 1 1 . 722 . 1 1 45 CYS H H 15.004 2.560 -12.863 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS H . . rr_1pdc 1 1 . 723 . 1 1 45 CYS HA H 14.572 2.737 -9.926 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS HA . . rr_1pdc 1 1 . 724 . 1 1 45 CYS HB2 H 14.741 0.436 -11.851 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS HB2 . . rr_1pdc 1 1 . 725 . 1 1 45 CYS HB3 H 15.502 0.181 -10.302 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS HB3 . . rr_1pdc 1 1 . 726 . 1 1 45 CYS N N 14.721 2.926 -12.015 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS N . . rr_1pdc 1 1 . 727 . 1 1 45 CYS O O 16.990 1.965 -9.375 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS O . . rr_1pdc 1 1 . 728 . 1 1 45 CYS OXT O 17.280 2.906 -11.327 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS OXT . . rr_1pdc 1 1 . 729 . 1 1 45 CYS SG S 13.134 0.247 -10.116 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 CYS SG . . rr_1pdc 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_1pdc _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 1pdc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1pdc 1 1 1pdc.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 rr_1pdc 1 1 1pdc.mr . . unknown 3 "dihedral angle" "Not applicable" "Not applicable" 0 rr_1pdc 1 1 1pdc.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 rr_1pdc 1 1 1pdc.mr . . unknown 5 distance NOE simple 0 rr_1pdc 1 1 1pdc.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 rr_1pdc 1 1 1pdc.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1pdc 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_1pdc _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 COLLAGEN-BINDING TYPE II DOMAIN 10-OCT-91 1PDC *COMPND SEMINAL FLUID PROTEIN PDC-109 (DOMAIN B) *COMPND 2 (NMR, BEST STRUCTURE) *SOURCE BOVINE (BOS TAURUS) SEMINAL FLUID *AUTHOR M.LLINAS,K.L.CONSTANTINE,L.PATTHY *REVDAT 1 31-JAN-94 1PDC 0 Refined Solution Structure and Ligand-Binding Properties of PDC-109 Domain b, a Collagen-Binding Type II Domain Supplementary Material " save_ save_MR_file_comment_4 _Org_constr_file_comment.Sf_framecode MR_file_comment_4 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1pdc _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 4 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Table S2 Distance Constraints Used in PDC-109/b XPLOR Computations __________________________________________________________________ upper bounds (A) ___________________ refined estimated residue 1 atom 1 residue 2 atom 2 set set ; save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_framecode MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1pdc _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 2 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Table S1 PDC-109/b Dihedral Angle Constraints __________________________________________________________________ dihedral angle (deg) residue PHI CHI1 __________________________________________________________________ ; save_ save_MR_file_comment_6 _Org_constr_file_comment.Sf_framecode MR_file_comment_6 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1pdc _Org_constr_file_comment.ID 4 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 6 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Atom names refer to XPLOR [Brunger, A. T. (1990). X-PLOR (Version 2.1) Manual, Yale University Press] notation. An asterisk (*) following an atom name indicates that r to the -6 averaging was used for the equivalent or non-stereospecifically assigned proton pair. The third set of constraints consists of max(refined,estimated) distances. Distances were refined using the MIDGE program [Madrid, M., Llinas, E. & Llinas, M. (1990). J. Mag. Reson., in press.] ; save_
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